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Acta Crystallographica Section E: Crystallographic Communications logoLink to Acta Crystallographica Section E: Crystallographic Communications
. 2015 Jun 13;71(Pt 7):786–790. doi: 10.1107/S2056989015010956

Double salt crystal structure of nona­sodium dihydrogen nona­vanadoplatinate(IV) tri­hydrogen nona­vanadoplatinate(IV) tetra­contahydrate: stepwise-protonated nona­vanadoplatinate(IV)

Hea-Chung Joo a, Ki-Min Park b, Uk Lee a,*
PMCID: PMC4518920  PMID: 26279868

Nonavanadoplatinate [PtIVV9O28]7−, which is the first heteropolyoxovanadate in the deca­vanadate framework, [V10O28]6−, has been investigated crystallographically. The title compound, Na9[H2PtIVV9O28][H3PtIVV9O28]·40H2O, was obtained by a hydro­thermal reaction at pH = 2 and contains two different protonated heteropolyoxovanadates.

Keywords: crystal structure, protonated nona­vanadoplatinate(IV), heteropolyoxovanadate containing platinum(IV), hydrogen bonding

Abstract

Nonavanadoplatinate [PtIVV9O28]7−, which is the first heteropolyoxovanadate in the deca­vanadate framework, [V10O28]6−, has been investigated crystallographically. The title compound, Na9[H2PtIVV9O28][H3PtIVV9O28]·40H2O, was obtained by a hydro­thermal reaction at pH = 2. This compound contains two different protonated heteropolyoxovanadates, [H2PtIVV9O28]5− [polyanion (A)] and [H3PtIVV9O28]7− [polyanion (B)]. The locations of the H atoms on the protonated O atoms were observed in difference Fourier maps and confirmed by the inter­polyanion hydrogen bonds, bond-length elongation and bond-valence-sum (VBS) analysis. The two (Pt and V)-bound μ2-O atoms are protonated in both polyanions. The position of the third protonated O atom in polyanion (B) is an inter­esting feature of the structure, being located on one (V2)-bound μ2-O atom. The discrete heteropolyanions form a dimer, {H5[PtV9O28]2}9−, through five inter­polyanion hydrogen bonds. Additional O—H⋯O hydrogen bonds and interactions between Na+ cations and water molecules as well as terminal O atoms of one of the polyanions consolidate the crystal packing.

Chemical context  

The deca­vanadate, [V10O28]6− (Evans, 1966), is a common isopolyanion in vanadium systems, although no corresponding framework species have been observed in Mo and W systems. The deca­vanadate framework has been substituted with PtIV, and we have previously reported structural studies and 195Pt and 51V NMR studies of the sodium salt, Na5[H2PtV9O28]·21H2O (Lee et al., 2008). The same heteropolyanions were also reported as the guanidinium salt, (CH6N3)5[H2PtV9O28] (Joo et al., 2011) and as the potassium salt, K5[H2PtV9O28]·9H2O (Joo & Lee, 2015).

Konaka et al. (2011) reported heteropolyanions that belong to the deca­vanadate structure type, including the Te derivative, [HnTeV9O28](5−n)− (n = 1 or 2). However, the Te heteroatom in that polyanion was disordered over two sites, which correspond to the Pt1 or Pt2 and V4 or V13 sites in the title compound. In contrast, the Pt atom shows no disorder in any of the three [H2PtV9O28]5− polyanions reported thus far. Recently, the crystal structures of Fe- and Ni-substituted deca­niobates, [H2FeIIINb9O28]6− and [H3NiIINb9O28]6− were reported as tetra­methyl­ammonium salts (Son et al., 2013).

In our studies of Anderson-type heteropolyoxometalates (Anderson, 1937) containing PtIV, [PtHnM 6O24](8−n)− (M = Mo or W), we have found that gradual protonation is a typical characteristic of these compounds (Lee & Joo, 2004; Izarova et al., 2012; Joo et al., 2015). We herein report the crystal structure of the title compound, a double salt containing stepwise-protonated nona­vanadoplatinate(IV) by two and three H+ ions.

Structural commentary  

The title compound contains doubly and triply protonated nona­vanadoplatinates, [H2PtIVV9O28]5− [polyanion (A)] and [H3PtIVV9O28]4− [polyanion (B)]. Fig. 1 shows the structure of the title compound while Fig. 2 shows the structure of polyanions (A) and (B). The framework of [V10O28]6− has been studied in detail previously (Evans, 1966; Nowogrocki et al., 1997). The O atoms of the polyanions were designated as OT (terminal V=O atom), OB (bridging μ2-O atom; V—O—V or V—O—Pt), OC3-O atom; (V)3—O or (V)2—O—Pt} and OD4-O atom; (V)4—O or (V)3—O—PT}. The nine [VO6] octa­hedra in the polyanions are distorted [V—O ranges 1.578 (6)–2.419 (5)Å], whereas in the [PtO6] octa­hedron, the Pt—O distances are all very similar [Pt—O ranges 1.966 (5)–2.025 (5) Å]. The H atoms of the protonated O atoms were found in difference Fourier maps and confirmed by the presence of inter­polyanion hydrogen bonds (Fig. 2), bond-length elongation of V—OH (Table 1), and the bond-valence sum (BVS; Brown & Altermatt, 1985; Brese & O’Keeffe, 1991) analysis.

Figure 1.

Figure 1

The mol­ecular entities in the crystal structure of the title compound. Displacement ellipsoids are drawn at the 30% probability level. The H atoms of the polyanion are presented as small spheres of arbitrary radius and the H atoms of water mol­ecules have been omitted for clarity.

Figure 2.

Figure 2

The polyanion structure in the title compound with the atomic numbering scheme and displacement ellipsoids at the 30% probability level for non-H atoms. H atoms are presented as a small spheres of arbitrary radius.

Table 1. Selected bond lengths ().

Pt1O7B 2.012(5) Pt2O35B 2.015(5)
Pt1O8B 2.025(5) Pt2O36B 2.017(5)
V1O12B 1.830(5) V10O41B 1.820(5)
V1O16B 1.882(5) V10O44B 1.950(6)
V1O13B 1.882(5) V10O35B 2.059(5)
V1O7B 2.058(5) V11O42B 1.882(5)
V2O14B 1.841(6) V11O43B 1.905(6)
V2O15B 1.904(5) V11O36B 2.035(5)
V2O8B 2.076(5) V12O46B 1.853(5)
V3O19B 1.840(5) V12O47B 1.869(6)
V3O18B 1.883(6) V12O38B 2.103(5)
V3O10B 2.054(5) V13O38B 1.666(5)
V4O11B 1.675(5) V13O39B 1.683(5)
V5O17B 1.838(5) V14O45B 1.854(5)
V5O12B 1.842(6) V14O48B 1.904(5)
V5O20B 1.896(5) V14O39B 2.048(5)
V5O11B 2.059(5) V15O45B 1.824(5)
V6O13B 1.805(5) V15O41B 1.859(5)
V6O17B 1.843(5) V16O42B 1.808(5)
V7O18B 1.802(5) V16O46B 1.834(5)
V7O14B 1.847(5) V17O47B 1.821(5)
V8O15B 1.808(5) V17O43B 1.822(6)
V8O19B 1.840(5) V18O48B 1.779(5)
V9O20B 1.805(5) V18O44B 1.907(5)
V9O16B 1.851(5)    

The two (Pt and V)-bound μ 2-O atoms, O7B, O8B in polyanion (A) and O35B, O36B in polyanion (B), are proton­ated. In addition, one (V2)-bound μ 2-O, O44B in polyanion (B), is also protonated. These protons are particularly important in the solid state. Polyanion A and B are involved in forming a dimeric assembly, {H5[PtV9O28]2}9−, which is held together by two (Pt and V)-bound μ 2-O(8B and 35B)–H(8 and 35)⋯(V2)-bound μ 2-O(43B and 16B) (bridged O atom), two (Pt and V)-bound μ 2-O(7B and 36B)— H(7 and 36)⋯(Pt and V2)-bound μ 3-O(4C and 32C), and one (V2)-bound μ 2-O44B—H44⋯ μ 1-O21T (terminal O atom) hydrogen bonds (Fig. 3 and Table 2), respectively. The O44B⋯O21T distance of 2.724 (8) Å is shorter than that of O15B⋯O50T [2.889 (8) Å] because O44B—H44⋯O21T forms hydrogen bonds. Considering the bond-length elongation of V10—O44B and V18—O44B in polyanion (B) and the bond angles of V10—O44B—V18, the O44B atoms should be protonated by H44 in polyanion (B) (Table 1).

Figure 3.

Figure 3

Polyhedral view of the heteropolyanion in the title compound, with O—H⋯O contacts of the inter­anion hydrogen bonds shown as red dashed lines.

Table 2. Hydrogen-bond geometry (, ).

DHA DH HA D A DHA
O7BH7O32C 0.85(3) 1.79(3) 2.627(7) 171(8)
O8BH8O43B 0.86(3) 1.89(3) 2.737(7) 169(8)
O35BH35O16B 0.85(3) 1.86(4) 2.685(7) 164(9)
O36BH36O4C 0.84(3) 1.79(3) 2.628(7) 174(8)
O44BH44O21T 0.84(3) 2.00(6) 2.724(8) 144(8)
O1WH1BO40B i 0.90(3) 2.18(9) 2.845(9) 130(9)
O2WH2BO47B ii 0.88(3) 1.88(3) 2.757(8) 178(12)
O3WH3AO39B ii 0.86(3) 2.01(4) 2.856(9) 168(10)
O3WH3BO33C iii 0.87(3) 1.97(6) 2.795(8) 159(12)
O4WH4AO51T iv 0.84(3) 2.08(3) 2.893(8) 163(8)
O4WH4BO41B 0.84(3) 1.96(4) 2.780(8) 165(10)
O5WH5BO46B iii 0.86(3) 1.94(5) 2.743(8) 154(9)
O6WH6AO7W 0.85(3) 2.03(3) 2.872(9) 170(9)
O6WH6BO48B ii 0.84(3) 2.02(5) 2.810(8) 158(9)
O7WH7AO28T 0.83(3) 2.26(5) 2.951(8) 141(8)
O7WH7BO34W ii 0.84(3) 2.05(6) 2.794(10) 148(8)
O8WH8AO17B v 0.86(3) 1.93(5) 2.760(8) 161(9)
O8WH8BO23T vi 0.85(3) 2.12(7) 2.872(9) 148(10)
O9WH9AO7B 0.85(3) 2.01(5) 2.826(8) 161(9)
O9WH9BO37W 0.84(3) 2.39(6) 3.073(11) 138(8)
O10WH10AO5C v 0.88(3) 1.92(4) 2.782(9) 165(11)
O11WH11AO22T vii 0.87(3) 2.23(5) 3.061(8) 158(9)
O12WH12AO42B 0.99 1.92 2.861(8) 159
O12WH12BO53T iii 0.99 2.00 2.956(8) 160
O13WH13AO31C 0.99 1.84 2.831(7) 176
O13WH13BO54T iii 0.99 1.93 2.905(8) 169
O14WH14AO35B 0.99 1.96 2.806(8) 142
O14WH14BO31W 0.99 2.03 2.928(8) 151
O15WH15AO4W 0.99 1.92 2.819(9) 149
O16WH16AO20B 0.99 2.51 3.054(7) 115
O16WH16BO33W iv 0.99 1.88 2.764(9) 147
O17WH17AO37B iv 0.99 2.06 3.013(8) 162
O17WH17AO50T iv 0.99 2.60 3.205(8) 119
O18WH18AO39W vi 0.99 1.97 2.942(10) 167
O18WH18BO12B viii 0.99 2.01 2.977(8) 165
O19WH19AO9W 0.99 2.05 2.949(9) 149
O19WH19BO8B 0.99 1.99 2.867(8) 146
O20WH20AO32W 0.99 1.94 2.857(9) 152
O20WH20BO19B vi 0.99 1.81 2.753(8) 157
O21WH21AO37W 0.99 1.93 2.836(10) 151
O21WH21BO6C vi 0.99 1.90 2.869(8) 164
O22WH22AO25T v 0.99 1.94 2.920(8) 170
O22WH22BO3C 0.99 1.83 2.819(7) 173
O23WH23AO26T v 0.99 2.04 2.993(8) 160
O23WH23BO13B 0.99 1.87 2.840(8) 167
O24WH24AO11B vi 0.99 1.97 2.887(9) 152
O24WH24BO10W 0.99 2.15 3.082(13) 157
O25WH25AO9B vii 0.99 2.07 2.874(9) 137
O25WH25BO35W 0.99 1.93 2.880(10) 160
O26WH26AO11W i 0.99 1.88 2.848(11) 165
O26WH26BO38W 0.99 1.86 2.811(12) 161
O27WH27AO36W 0.98 2.11 2.881(10) 135
O27WH27BO29W ix 0.98 2.09 2.891(10) 138
O28WH28AO27W ix 0.98 1.78 2.692(11) 153
O28WH28BO40B i 0.98 2.45 2.994(9) 115
O29WH29AO38B ii 0.98 2.12 2.992(8) 147
O29WH29BO45B iii 0.98 1.93 2.755(8) 141
O30WH30AO2W 0.98 2.03 2.877(10) 143
O30WH30BO37W ii 0.98 1.93 2.893(10) 167
O31WH31BO36B 0.98 2.08 2.812(8) 130
O32WH32AO40W vi 0.98 1.96 2.901(13) 160
O32WH32BO2W vi 0.98 2.01 2.896(10) 150
O33WH33AO38W 0.98 2.13 2.833(11) 128
O33WH33BO14B 0.98 1.81 2.786(8) 178
O34WH34AO55T 0.98 2.29 3.038(9) 132
O34WH34BO39W vii 0.98 2.02 2.979(12) 166

Symmetry codes: (i) Inline graphic; (ii) Inline graphic; (iii) Inline graphic; (iv) Inline graphic; (v) Inline graphic; (vi) Inline graphic; (vii) Inline graphic; (viii) Inline graphic; (ix) Inline graphic.

Confirmation of the protonated O atoms was strongly supported by the BVS analysis. The BVSs for O7B and O8B in polyanion (A), and for O35B, O36B, and O44B in polyanion (B) are 1.20, 1.15, 1.19, 1.22, and 1.42 valence units (v.u.), respectively, if the valence of the O—H bond is not included. Because the BVS value around the μ 2-O (OB) atom should be 2.0 v.u., the missing valences of O7B, O8B, O35B, O36B, and O44B are 0.80, 0.85, 0.81, 0.78, and 0.58 v.u., respectively, corresponding to the valence of the O—H bonds. The BVSs around the other unprotonated μ 2-O atoms in polyanion (B) for O41B–-O43B and O45B—O48B are 1.82, 1.80, 1.71, 1.81, 1.79, 1.79, and 1.83 v.u., respectively, if the valence of the OB⋯H—OW hydrogen bonds and OB⋯Na+ inter­actions are not included. The missing valences of these OB atoms correspond to the valences of the OB⋯H—OW hydrogen bonds and OB⋯Na+ inter­actions. The smallest BVS value in the other unprotonated μ2-OB and μ3-OC atoms in polyanion (A) is 1.69 v.u. for O16B. O16B in polyanion (A) corresponds to O44B in polyanion (B), which is protonated. Similar results were observed for the sodium (Lee et al., 2008), guanidinium (Joo et al., 2011), and potassium (Joo & Lee, 2015) salts of [H2PtV9O28]5−.

The Na1–Na6 ions are coordinated by six OW atoms in the range 2.339 (8)–2.742 (9) Å, and the Na7 and Na8 ions are coord­in­ated by five OW and one OT atoms in the range 2.373 (6)–2.454 (6) Å. The Na9 ions are coordinated by four OW atoms in the range 2.204 (11)–2.410 (9) Å.

Supra­molecular features  

Polyanions (A) and (B) are involved in forming the dimeric assembly, {H5[PtV9O28]2}9−. Furthermore, the polyanion dimers are three-dimensionally linked via Na+⋯OT inter­actions. All water mol­ecules except O15W, O26W, O27W, O30W and O32W are involved in an extensive hydrogen-bonding network with O atoms of the polyanions. (see Table 2). Potential hydrogen-bond distances of O35W–O40W molecules are: O35W⋯O8W iv 2.845 (10); O35W⋯O38W 2.735 (12); O36W⋯O1W 2.814 (11); O36W⋯O5W viii 2.846 (11); O37W⋯O27T vi 2.844 (9); O37W⋯O55T 2.952 (9); O38W⋯O24T viii 2.828 (10); O39W⋯O40W 2.793 (14); O40W⋯O1W 2.778 (13); O40W⋯O50T 2.913 (11) Å (symmetry codes correspond to those in Table 2).

Database survey  

A number of nona­vanadoplatinate(IV) compounds have been reported: Na5[H2PtV9O28]·21H2O (Lee et al., 2008); (CH6N3)5[H2PtV9O28] (Joo et al., 2011); K5[H2PtV9O28]·9H2O (Joo & Lee, 2015). In addition, related structures of nona­vanadotellurate(VI), and nona­niobatoferrate(III) and nona­niobatonickelate(II) have been reported: [HnTeV9O28](5−n)− (n = 1 or 2) (Konaka et al., 2011); [H2FeIIINb9O28]6− and [H3NiIINb9O28]6− (Son et al., 2013).

Synthesis and crystallization  

Single crystals of the title compound were obtained in the same way as the sodium salt reported by Lee et al. (2008), at pH 2.0.

Refinement  

Crystal data, data collection and structure refinement details are summarized in Table 3. All H atoms in the polyanions and water mol­ecules O1W–O11W were found in difference Fourier maps, and were refined with 1,2 and 1,3 distance restraints of O—H = 0.85 (3) Å and H⋯H = 1.50 (2) Å, respectively using the command DFIX in SHELXL2014/7 (Sheldrick, 2015) and were included in the refinement with U iso(H) = 1.5 U eq(O). The H atoms of O12W–O26W were positioned geometrically and refined using a riding model (HFIX 23), with OW—H = 0.99 Å and U iso (H) = 1.5U eq (O). The H atoms of O27W–O34W were positioned geometrically and refined using a riding model (HFIX 137), with OW—H = 0.98 Å and U iso (H) = 1.5U eq (O). All invalid H atoms were removed in the final step of refinement. The H atoms of O35W–O40W were omitted in the refinement because they were not coordinated to Na+ ions and because they generated level A alerts in the checkCIF program due to short inter­molecular D—H⋯H—D contacts. The highest peak in the difference map was 1.78 Å from H17B and the largest hole is 0.87 Å from Pt2. The highest peak was considered as a half-occupancy water mol­ecule but it was excluded in the final stage of refinement because it was too close to the neighboring water mol­ecule.

Table 3. Experimental details.

Crystal data
Chemical formula Na9[H2PtV9O28][H3PtV9O28]40H2O
M r 1567.84
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 173
a, b, c () 12.706(1), 12.875(1), 28.319(2)
, , () 93.760(1), 98.449(1), 113.318(1)
V (3) 4168.9(5)
Z 4
Radiation type Mo K
(mm1) 5.44
Crystal size (mm) 0.40 0.20 0.20
 
Data collection
Diffractometer Bruker SMART CCD
Absorption correction Multi-scan (SADABS; Bruker, 1997)
T min, T max 0.515, 0.746
No. of measured, independent and observed [I > 2(I)] reflections 37312, 19046, 13416
R int 0.039
(sin /)max (1) 0.666
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.053, 0.115, 1.05
No. of reflections 19046
No. of parameters 1203
No. of restraints 38
H-atom treatment Only H-atom coordinates refined
max, min (e 3) 2.99, 2.15

Computer programs: SMART and SAINT (Bruker, 1997), SHELXL2014 (Sheldrick, 2015), ORTEP-3 for Windows (Farrugia, 2012) and DIAMOND (Brandenburg, 1998).

Supplementary Material

Crystal structure: contains datablock(s) New_Global_Publ_Block, I. DOI: 10.1107/S2056989015010956/pk2554sup1.cif

e-71-00786-sup1.cif (1.3MB, cif)

Structure factors: contains datablock(s) I. DOI: 10.1107/S2056989015010956/pk2554Isup2.hkl

e-71-00786-Isup2.hkl (1.5MB, hkl)

CCDC reference: 1405348

Additional supporting information: crystallographic information; 3D view; checkCIF report

supplementary crystallographic information

Crystal data

Na9[H2PtV9O28][H3PtV9O28]·40H2O Z = 4
Mr = 1567.84 F(000) = 3044
Triclinic, P1 Dx = 2.498 Mg m3
a = 12.706 (1) Å Mo Kα radiation, λ = 0.71073 Å
b = 12.875 (1) Å Cell parameters from 7031 reflections
c = 28.319 (2) Å θ = 2.5–28.3°
α = 93.760 (1)° µ = 5.44 mm1
β = 98.449 (1)° T = 173 K
γ = 113.318 (1)° Block, dark brown
V = 4168.9 (5) Å3 0.40 × 0.20 × 0.20 mm

Data collection

Bruker SMART CCD diffractometer 19046 independent reflections
Radiation source: fine-focus sealed tube 13416 reflections with I > 2σ(I)
Detector resolution: 10.0 pixels mm-1 Rint = 0.039
φ and ω scans θmax = 28.3°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Bruker, 1997) h = −16→16
Tmin = 0.515, Tmax = 0.746 k = −16→16
37312 measured reflections l = −36→36

Refinement

Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.053 Only H-atom coordinates refined
wR(F2) = 0.115 w = 1/[σ2(Fo2) + (0.0047P)2 + 66.1402P] where P = (Fo2 + 2Fc2)/3
S = 1.05 (Δ/σ)max = 0.001
19046 reflections Δρmax = 2.99 e Å3
1203 parameters Δρmin = −2.15 e Å3
38 restraints Extinction correction: SHELXL2014 (Sheldrick, 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods Extinction coefficient: 0.00027 (2)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

x y z Uiso*/Ueq
Pt1 0.45003 (2) 0.74403 (2) 0.33507 (2) 0.00550 (7)
V1 0.71159 (11) 0.91128 (11) 0.33797 (5) 0.0103 (3)
V2 0.18401 (11) 0.58053 (11) 0.33073 (5) 0.0110 (3)
V3 0.26993 (11) 0.45141 (12) 0.40609 (5) 0.0121 (3)
V4 0.53061 (10) 0.61272 (11) 0.41324 (5) 0.0085 (3)
V5 0.78830 (11) 0.78352 (11) 0.41622 (5) 0.0114 (3)
V6 0.60439 (11) 0.88428 (11) 0.43233 (5) 0.0092 (3)
V7 0.34669 (11) 0.71757 (11) 0.42932 (5) 0.0097 (3)
V8 0.36930 (11) 0.48243 (11) 0.31023 (5) 0.0107 (3)
V9 0.63138 (10) 0.64442 (11) 0.31612 (5) 0.0092 (3)
O1D 0.5982 (4) 0.7545 (4) 0.37248 (18) 0.0073 (10)
O2D 0.3762 (4) 0.6130 (4) 0.36978 (19) 0.0097 (11)
O3C 0.4450 (4) 0.8409 (4) 0.39323 (18) 0.0077 (10)
O4C 0.4671 (4) 0.6306 (4) 0.28785 (18) 0.0090 (11)
O5C 0.5095 (4) 0.7303 (4) 0.45092 (18) 0.0079 (10)
O6C 0.5283 (4) 0.5341 (4) 0.35301 (18) 0.0085 (11)
O7B 0.5441 (4) 0.8818 (4) 0.30612 (19) 0.0097 (11)*
H7 0.539 (7) 0.871 (7) 0.2760 (12) 0.015*
O8B 0.2886 (4) 0.7184 (5) 0.30061 (19) 0.0099 (11)
H8 0.300 (7) 0.719 (7) 0.2716 (15) 0.015*
O9B 0.1471 (4) 0.4637 (4) 0.36745 (19) 0.0120 (11)
O10B 0.4427 (4) 0.5006 (4) 0.43593 (19) 0.0107 (11)
O11B 0.6689 (4) 0.6432 (4) 0.43874 (19) 0.0108 (11)
O12B 0.8313 (4) 0.8977 (4) 0.37779 (19) 0.0113 (11)
O13B 0.6724 (4) 0.9768 (4) 0.39029 (19) 0.0110 (11)
O14B 0.2173 (4) 0.6896 (5) 0.38265 (19) 0.0126 (12)
O15B 0.2350 (4) 0.4964 (5) 0.2887 (2) 0.0133 (12)
O16B 0.6928 (4) 0.7852 (4) 0.29471 (19) 0.0119 (11)
O17B 0.7368 (4) 0.8638 (4) 0.45617 (18) 0.0104 (11)
O18B 0.2870 (4) 0.5785 (5) 0.4484 (2) 0.0138 (12)
O19B 0.3080 (4) 0.3884 (4) 0.35454 (19) 0.0125 (11)
O20B 0.7577 (4) 0.6737 (4) 0.36218 (19) 0.0114 (11)
O21T 0.7782 (4) 1.0172 (5) 0.3111 (2) 0.0138 (12)
O22T 0.0600 (5) 0.5678 (5) 0.3020 (2) 0.0159 (12)
O23T 0.2087 (5) 0.3473 (5) 0.4344 (2) 0.0182 (13)
O24T 0.9056 (5) 0.7901 (5) 0.4468 (2) 0.0197 (13)
O25T 0.5988 (5) 0.9681 (5) 0.47535 (19) 0.0147 (12)
O26T 0.3380 (5) 0.7994 (5) 0.4727 (2) 0.0155 (12)
O27T 0.3765 (5) 0.3963 (5) 0.2688 (2) 0.0173 (12)
O28T 0.6421 (5) 0.5584 (5) 0.2754 (2) 0.0153 (12)
Pt2 0.53911 (2) 0.75266 (2) 0.16508 (2) 0.00586 (7)
V10 0.80443 (11) 0.91131 (12) 0.17061 (5) 0.0122 (3)
V11 0.27684 (11) 0.58186 (11) 0.16058 (5) 0.0115 (3)
V12 0.20221 (11) 0.71474 (11) 0.08364 (5) 0.0114 (3)
V13 0.46057 (11) 0.88413 (11) 0.08640 (5) 0.0086 (3)
V14 0.72497 (11) 1.04265 (11) 0.09456 (5) 0.0119 (3)
V15 0.64396 (11) 0.77619 (11) 0.07139 (5) 0.0097 (3)
V16 0.38604 (11) 0.61354 (11) 0.06679 (5) 0.0098 (3)
V17 0.35747 (11) 0.84849 (11) 0.18413 (5) 0.0102 (3)
V18 0.61454 (11) 1.01700 (11) 0.18801 (5) 0.0102 (3)
O29D 0.6175 (4) 0.8848 (4) 0.13261 (18) 0.0088 (11)
O30D 0.3927 (4) 0.7441 (4) 0.12588 (19) 0.0087 (11)
O31C 0.5470 (4) 0.6575 (4) 0.10733 (18) 0.0086 (11)
O32C 0.5210 (4) 0.8660 (4) 0.21187 (18) 0.0095 (11)
O33C 0.4847 (4) 0.7683 (4) 0.04911 (19) 0.0109 (11)
O34C 0.4619 (4) 0.9637 (4) 0.14678 (18) 0.0096 (11)
O35B 0.6982 (4) 0.7753 (5) 0.20013 (19) 0.0102 (11)
H35 0.708 (7) 0.790 (7) 0.2306 (11) 0.015*
O36B 0.4423 (4) 0.6146 (4) 0.19353 (18) 0.0095 (11)
H36 0.456 (7) 0.622 (7) 0.2239 (11) 0.014*
O37B 0.1590 (4) 0.5998 (5) 0.12020 (19) 0.0126 (11)
O38B 0.3245 (4) 0.8564 (5) 0.05981 (18) 0.0113 (11)
O39B 0.5532 (4) 0.9973 (5) 0.06518 (19) 0.0121 (11)
O40B 0.8440 (4) 1.0311 (5) 0.13493 (19) 0.0132 (12)
O41B 0.7744 (4) 0.8063 (4) 0.11859 (18) 0.0107 (11)
O42B 0.3181 (4) 0.5186 (4) 0.10828 (18) 0.0108 (11)
O43B 0.2940 (4) 0.7090 (5) 0.20421 (19) 0.0129 (11)
O44B 0.7532 (4) 0.9993 (5) 0.21330 (19) 0.0119 (11)
H44 0.792 (7) 1.017 (7) 0.2416 (15) 0.018*
O45B 0.7080 (4) 0.9175 (4) 0.05283 (19) 0.0116 (11)
O46B 0.2550 (4) 0.6353 (5) 0.04306 (19) 0.0125 (11)
O47B 0.2332 (4) 0.8236 (5) 0.13672 (19) 0.0132 (12)
O48B 0.6835 (4) 1.1086 (4) 0.14703 (19) 0.0121 (11)
O49T 0.9260 (5) 0.9248 (5) 0.2009 (2) 0.0199 (13)
O50T 0.2067 (5) 0.4744 (5) 0.1849 (2) 0.0183 (13)
O51T 0.0834 (5) 0.7074 (5) 0.0525 (2) 0.0178 (13)
O52T 0.7884 (5) 1.1476 (5) 0.0677 (2) 0.0180 (13)
O53T 0.6564 (5) 0.6969 (5) 0.0290 (2) 0.0153 (12)
O54T 0.3952 (5) 0.5322 (5) 0.02373 (19) 0.0143 (12)
O55T 0.6068 (5) 1.0995 (5) 0.2310 (2) 0.0179 (12)
O56T 0.3456 (5) 0.9345 (5) 0.2243 (2) 0.0169 (12)
Na1 0.1461 (3) 0.1283 (3) 0.07263 (15) 0.0339 (9)
Na2 0.5008 (3) 0.3083 (3) 0.11131 (12) 0.0174 (7)
Na3 0.7943 (3) 0.4930 (3) 0.11847 (12) 0.0194 (7)
Na4 0.2007 (3) 1.0129 (3) 0.38164 (12) 0.0167 (7)
Na5 0.4888 (3) 1.1888 (3) 0.38675 (11) 0.0155 (7)
Na6 0.7798 (3) 1.3553 (3) 0.38754 (14) 0.0265 (8)
Na7 0.9239 (3) 0.5954 (3) 0.23834 (12) 0.0199 (7)
Na8 0.0689 (3) 0.9108 (3) 0.26382 (12) 0.0197 (7)
Na9 0.1092 (4) 0.4763 (4) 0.48275 (18) 0.0510 (12)
O1W 0.0600 (6) 0.2091 (6) 0.1273 (3) 0.0383 (17)
H1A 0.033 (8) 0.165 (9) 0.098 (2) 0.057*
H1B −0.008 (5) 0.194 (10) 0.137 (3) 0.057*
O2W 0.1628 (7) −0.0001 (6) 0.1445 (3) 0.0374 (18)
H2A 0.093 (5) −0.031 (8) 0.125 (4) 0.056*
H2B 0.184 (8) −0.057 (6) 0.143 (4) 0.056*
O3W 0.5461 (8) 0.2114 (6) 0.0491 (2) 0.044 (2)
H3A 0.540 (11) 0.142 (4) 0.050 (4) 0.065*
H3B 0.519 (10) 0.215 (9) 0.0197 (18) 0.065*
O4W 0.9156 (5) 0.6885 (6) 0.1140 (2) 0.0226 (14)
H4A 0.954 (7) 0.696 (8) 0.092 (3) 0.034*
H4B 0.866 (7) 0.717 (8) 0.110 (3) 0.034*
O5W 0.8156 (6) 0.3811 (6) 0.0545 (2) 0.0289 (15)
H5A 0.879 (6) 0.441 (6) 0.052 (3) 0.043*
H5B 0.779 (7) 0.355 (8) 0.0253 (16) 0.043*
O6W 0.6875 (5) 0.3288 (5) 0.1561 (2) 0.0205 (13)
H6A 0.711 (8) 0.349 (7) 0.1864 (12) 0.031*
H6B 0.698 (8) 0.270 (5) 0.148 (3) 0.031*
O7W 0.7774 (6) 0.4251 (6) 0.2556 (2) 0.0247 (14)
H7A 0.734 (7) 0.440 (8) 0.271 (3) 0.037*
H7B 0.803 (8) 0.378 (7) 0.266 (3) 0.037*
O8W 0.1747 (6) 1.1174 (6) 0.4471 (2) 0.0305 (16)
H8A 0.187 (9) 1.110 (8) 0.4771 (15) 0.046*
H8B 0.212 (9) 1.186 (4) 0.443 (3) 0.046*
O9W 0.4860 (6) 1.0706 (6) 0.3198 (2) 0.0271 (15)
H9A 0.495 (9) 1.009 (5) 0.321 (3) 0.041*
H9B 0.478 (9) 1.085 (8) 0.2913 (16) 0.041*
O10W 0.4923 (8) 1.3096 (7) 0.4538 (3) 0.046 (2)
H10A 0.503 (9) 1.295 (11) 0.4835 (19) 0.069*
H10B 0.418 (4) 1.294 (12) 0.447 (4) 0.069*
O11W 0.8894 (6) 1.5425 (5) 0.3708 (2) 0.0250 (14)
H11A 0.938 (6) 1.568 (8) 0.351 (3) 0.037*
H11B 0.823 (4) 1.497 (7) 0.351 (3) 0.037*
O12W 0.3096 (5) 0.3022 (5) 0.0720 (2) 0.0181 (12)
H12A 0.2971 0.3655 0.0884 0.027*
H12B 0.3131 0.3156 0.0382 0.027*
O13W 0.6077 (5) 0.4766 (5) 0.0792 (2) 0.0170 (12)
H13A 0.5905 0.5421 0.0898 0.025*
H13B 0.5972 0.4646 0.0437 0.025*
O14W 0.7541 (5) 0.5871 (5) 0.1854 (2) 0.0174 (12)
H14A 0.7569 0.6633 0.1802 0.026*
H14B 0.6802 0.5398 0.1954 0.026*
O15W 1.0571 (5) 0.7556 (5) 0.2066 (2) 0.0243 (14)
H15A 1.0246 0.7608 0.1733 0.036*
H15B 1.1339 0.7524 0.2075 0.036*
O16W 0.9349 (5) 0.7502 (5) 0.2956 (2) 0.0228 (14)
H16A 0.8580 0.7534 0.2946 0.027*
H16B 0.9671 0.7449 0.3289 0.027*
O17W 0.9596 (5) 0.4918 (6) 0.1720 (2) 0.0279 (15)
H17A 1.0350 0.5346 0.1622 0.042*
H17B 0.9514 0.4142 0.1778 0.042*
O18W 0.0315 (5) 1.0158 (5) 0.3297 (2) 0.0209 (13)
H18A 0.0396 1.0934 0.3238 0.031*
H18B −0.0434 0.9730 0.3399 0.031*
O19W 0.2389 (5) 0.9159 (5) 0.3135 (2) 0.0183 (13)
H19A 0.3121 0.9625 0.3029 0.027*
H19B 0.2354 0.8393 0.3185 0.027*
O20W 0.3058 (5) 1.1735 (5) 0.3436 (2) 0.0173 (12)
H20A 0.2959 1.1550 0.3083 0.026*
H20B 0.2893 1.2409 0.3515 0.026*
O21W 0.5954 (5) 1.3463 (5) 0.3459 (2) 0.0210 (13)
H21A 0.5822 1.3258 0.3106 0.032*
H21B 0.5828 1.4160 0.3539 0.032*
O22W 0.3846 (5) 1.0217 (5) 0.4204 (2) 0.0161 (12)
H22A 0.3965 1.0342 0.4560 0.024*
H22B 0.3996 0.9551 0.4094 0.024*
O23W 0.6749 (5) 1.1915 (5) 0.4225 (2) 0.0183 (13)
H23A 0.6906 1.2049 0.4582 0.027*
H23B 0.6860 1.1230 0.4109 0.027*
O24W 0.7492 (8) 1.4650 (6) 0.4535 (3) 0.050 (2)
H24A 0.7406 1.5324 0.4417 0.075*
H24B 0.6753 1.4174 0.4633 0.075*
O25W 0.9619 (6) 1.3470 (7) 0.4175 (3) 0.0397 (18)
H25A 1.0010 1.3506 0.3895 0.059*
H25B 0.9422 1.2695 0.4266 0.059*
O26W 0.0268 (7) 0.6045 (7) 0.4655 (3) 0.055 (2)
H26A −0.0103 0.5943 0.4312 0.082*
H26B 0.0808 0.6852 0.4767 0.082*
O27W 0.0246 (7) 0.1633 (7) 0.0101 (3) 0.047 (2)
H27A 0.0433 0.2452 0.0132 0.070*
H27B −0.0572 0.1211 0.0126 0.070*
O28W −0.0237 (6) −0.0493 (7) 0.0732 (3) 0.0438 (19)
H28A −0.0259 −0.1086 0.0490 0.066*
H28B −0.0949 −0.0364 0.0655 0.066*
O29W 0.2076 (5) 0.0083 (5) 0.0286 (2) 0.0237 (14)
H29A 0.2398 −0.0317 0.0508 0.036*
H29B 0.2678 0.0544 0.0115 0.036*
O30W 0.4040 (5) 0.1487 (5) 0.1495 (2) 0.0260 (15)
H30A 0.3196 0.1262 0.1414 0.039*
H30B 0.4302 0.1690 0.1845 0.039*
O31W 0.5088 (5) 0.4329 (5) 0.1786 (2) 0.0239 (14)
H31A 0.4989 0.3920 0.2067 0.036*
H31B 0.4461 0.4589 0.1715 0.036*
O32W 0.1998 (6) 1.0926 (6) 0.2446 (2) 0.0375 (18)
H32A 0.1630 1.1466 0.2458 0.056*
H32B 0.2152 1.0820 0.2121 0.056*
O33W 0.0827 (5) 0.8155 (5) 0.3844 (2) 0.0197 (13)
H33A 0.0498 0.8084 0.4139 0.030*
H33B 0.1310 0.7721 0.3844 0.030*
O34W 0.7955 (7) 1.2617 (6) 0.3126 (3) 0.0394 (18)
H34A 0.7285 1.1878 0.3033 0.059*
H34B 0.8677 1.2499 0.3175 0.059*
O35W 0.9524 (6) 1.1264 (6) 0.4358 (3) 0.0367 (17)
O36W 0.0339 (7) 0.3635 (6) 0.0656 (3) 0.044 (2)
O37W 0.4813 (7) 1.2430 (8) 0.2503 (3) 0.047 (2)
O38W 0.1417 (7) 0.8435 (8) 0.4863 (3) 0.057 (2)
O39W 0.0156 (8) 0.2317 (7) 0.3108 (3) 0.059 (2)
O40W 0.1094 (9) 0.2640 (8) 0.2269 (3) 0.073 (3)

Atomic displacement parameters (Å2)

U11 U22 U33 U12 U13 U23
Pt1 0.00654 (13) 0.00628 (15) 0.00492 (15) 0.00380 (11) 0.00147 (10) 0.00062 (11)
V1 0.0093 (6) 0.0106 (7) 0.0091 (7) 0.0024 (5) 0.0014 (5) 0.0012 (5)
V2 0.0090 (6) 0.0123 (7) 0.0117 (7) 0.0048 (5) 0.0006 (5) 0.0015 (5)
V3 0.0111 (6) 0.0116 (7) 0.0145 (7) 0.0044 (5) 0.0044 (5) 0.0046 (6)
V4 0.0099 (6) 0.0100 (6) 0.0075 (6) 0.0062 (5) 0.0014 (5) 0.0020 (5)
V5 0.0102 (6) 0.0138 (7) 0.0108 (7) 0.0063 (5) 0.0004 (5) 0.0010 (6)
V6 0.0111 (6) 0.0097 (6) 0.0072 (6) 0.0049 (5) 0.0017 (5) −0.0013 (5)
V7 0.0105 (6) 0.0112 (7) 0.0088 (7) 0.0055 (5) 0.0042 (5) 0.0001 (5)
V8 0.0115 (6) 0.0079 (6) 0.0125 (7) 0.0034 (5) 0.0038 (5) −0.0004 (5)
V9 0.0098 (6) 0.0098 (6) 0.0089 (7) 0.0053 (5) 0.0021 (5) −0.0013 (5)
O1D 0.008 (2) 0.008 (3) 0.004 (3) 0.003 (2) 0.0004 (18) −0.001 (2)
O2D 0.010 (2) 0.011 (3) 0.011 (3) 0.005 (2) 0.004 (2) 0.003 (2)
O3C 0.009 (2) 0.005 (3) 0.008 (3) 0.003 (2) 0.0015 (19) −0.004 (2)
O4C 0.010 (2) 0.009 (3) 0.009 (3) 0.005 (2) 0.003 (2) 0.002 (2)
O5C 0.011 (2) 0.010 (3) 0.006 (3) 0.007 (2) 0.0017 (19) 0.002 (2)
O6C 0.009 (2) 0.009 (3) 0.008 (3) 0.003 (2) 0.0025 (19) 0.005 (2)
O8B 0.008 (2) 0.016 (3) 0.008 (3) 0.007 (2) 0.003 (2) 0.002 (2)
O9B 0.011 (2) 0.010 (3) 0.015 (3) 0.004 (2) 0.003 (2) 0.000 (2)
O10B 0.013 (2) 0.009 (3) 0.012 (3) 0.006 (2) 0.003 (2) 0.004 (2)
O11B 0.009 (2) 0.014 (3) 0.012 (3) 0.008 (2) 0.000 (2) 0.001 (2)
O12B 0.010 (2) 0.012 (3) 0.009 (3) 0.002 (2) 0.001 (2) −0.002 (2)
O13B 0.012 (2) 0.010 (3) 0.008 (3) 0.001 (2) 0.000 (2) −0.001 (2)
O14B 0.010 (2) 0.017 (3) 0.015 (3) 0.010 (2) 0.003 (2) 0.003 (2)
O15B 0.011 (2) 0.016 (3) 0.015 (3) 0.007 (2) 0.003 (2) 0.003 (2)
O16B 0.014 (3) 0.012 (3) 0.011 (3) 0.005 (2) 0.008 (2) 0.002 (2)
O17B 0.014 (3) 0.008 (3) 0.007 (3) 0.005 (2) −0.001 (2) −0.002 (2)
O18B 0.012 (3) 0.014 (3) 0.018 (3) 0.006 (2) 0.008 (2) 0.008 (2)
O19B 0.013 (3) 0.011 (3) 0.015 (3) 0.006 (2) 0.003 (2) 0.005 (2)
O20B 0.009 (2) 0.013 (3) 0.015 (3) 0.007 (2) 0.002 (2) 0.001 (2)
O21T 0.012 (3) 0.009 (3) 0.017 (3) 0.001 (2) 0.004 (2) 0.003 (2)
O22T 0.015 (3) 0.019 (3) 0.016 (3) 0.010 (2) 0.002 (2) 0.003 (2)
O23T 0.018 (3) 0.014 (3) 0.023 (3) 0.004 (2) 0.007 (2) 0.008 (3)
O24T 0.016 (3) 0.028 (4) 0.016 (3) 0.011 (3) 0.000 (2) 0.003 (3)
O25T 0.019 (3) 0.014 (3) 0.010 (3) 0.006 (2) 0.004 (2) −0.004 (2)
O26T 0.015 (3) 0.019 (3) 0.017 (3) 0.011 (2) 0.006 (2) −0.002 (2)
O27T 0.018 (3) 0.017 (3) 0.019 (3) 0.009 (2) 0.005 (2) −0.002 (2)
O28T 0.016 (3) 0.015 (3) 0.018 (3) 0.009 (2) 0.007 (2) −0.002 (2)
Pt2 0.00667 (13) 0.00671 (15) 0.00512 (15) 0.00362 (11) 0.00141 (10) 0.00057 (11)
V10 0.0097 (6) 0.0157 (7) 0.0116 (7) 0.0056 (5) 0.0016 (5) 0.0026 (6)
V11 0.0106 (6) 0.0118 (7) 0.0104 (7) 0.0026 (5) 0.0024 (5) 0.0020 (5)
V12 0.0096 (6) 0.0140 (7) 0.0109 (7) 0.0058 (5) 0.0006 (5) 0.0008 (6)
V13 0.0105 (6) 0.0097 (6) 0.0079 (6) 0.0063 (5) 0.0022 (5) 0.0022 (5)
V14 0.0127 (6) 0.0102 (7) 0.0148 (7) 0.0057 (5) 0.0052 (5) 0.0036 (6)
V15 0.0124 (6) 0.0105 (7) 0.0088 (7) 0.0067 (5) 0.0044 (5) 0.0010 (5)
V16 0.0111 (6) 0.0102 (7) 0.0080 (6) 0.0048 (5) 0.0012 (5) −0.0009 (5)
V17 0.0101 (6) 0.0124 (7) 0.0092 (7) 0.0051 (5) 0.0041 (5) 0.0001 (5)
V18 0.0125 (6) 0.0076 (6) 0.0102 (7) 0.0039 (5) 0.0027 (5) −0.0010 (5)
O29D 0.008 (2) 0.009 (3) 0.009 (3) 0.003 (2) 0.003 (2) 0.001 (2)
O30D 0.007 (2) 0.008 (3) 0.012 (3) 0.004 (2) 0.0003 (19) 0.000 (2)
O31C 0.011 (2) 0.007 (3) 0.011 (3) 0.006 (2) 0.004 (2) 0.003 (2)
O32C 0.013 (2) 0.011 (3) 0.005 (3) 0.006 (2) 0.000 (2) −0.002 (2)
O33C 0.011 (2) 0.013 (3) 0.010 (3) 0.006 (2) 0.003 (2) 0.003 (2)
O34C 0.010 (2) 0.009 (3) 0.008 (3) 0.004 (2) −0.001 (2) 0.001 (2)
O35B 0.009 (2) 0.012 (3) 0.009 (3) 0.004 (2) 0.001 (2) 0.001 (2)
O36B 0.015 (3) 0.009 (3) 0.006 (2) 0.004 (2) 0.004 (2) 0.003 (2)
O37B 0.009 (2) 0.013 (3) 0.010 (3) 0.001 (2) −0.002 (2) −0.001 (2)
O38B 0.011 (2) 0.014 (3) 0.009 (3) 0.005 (2) 0.002 (2) 0.002 (2)
O39B 0.013 (3) 0.016 (3) 0.009 (3) 0.008 (2) 0.002 (2) 0.003 (2)
O40B 0.010 (2) 0.015 (3) 0.013 (3) 0.003 (2) 0.004 (2) 0.000 (2)
O41B 0.011 (2) 0.013 (3) 0.010 (3) 0.006 (2) 0.004 (2) 0.002 (2)
O42B 0.016 (3) 0.011 (3) 0.004 (3) 0.005 (2) −0.002 (2) 0.001 (2)
O43B 0.012 (2) 0.014 (3) 0.011 (3) 0.003 (2) 0.001 (2) 0.002 (2)
O44B 0.015 (3) 0.012 (3) 0.008 (3) 0.006 (2) −0.004 (2) −0.001 (2)
O45B 0.011 (2) 0.012 (3) 0.012 (3) 0.005 (2) 0.005 (2) 0.001 (2)
O46B 0.010 (2) 0.017 (3) 0.012 (3) 0.007 (2) 0.000 (2) 0.003 (2)
O47B 0.013 (3) 0.020 (3) 0.011 (3) 0.011 (2) 0.002 (2) 0.003 (2)
O48B 0.015 (3) 0.009 (3) 0.013 (3) 0.005 (2) 0.005 (2) 0.001 (2)
O49T 0.014 (3) 0.022 (3) 0.022 (3) 0.006 (2) 0.002 (2) 0.008 (3)
O50T 0.021 (3) 0.020 (3) 0.012 (3) 0.007 (2) 0.003 (2) 0.007 (2)
O51T 0.012 (3) 0.024 (3) 0.017 (3) 0.010 (2) −0.001 (2) 0.001 (3)
O52T 0.021 (3) 0.015 (3) 0.020 (3) 0.008 (2) 0.008 (2) 0.007 (3)
O53T 0.024 (3) 0.016 (3) 0.011 (3) 0.012 (2) 0.008 (2) 0.005 (2)
O54T 0.020 (3) 0.013 (3) 0.011 (3) 0.008 (2) 0.003 (2) −0.001 (2)
O55T 0.023 (3) 0.016 (3) 0.014 (3) 0.007 (2) 0.004 (2) 0.000 (2)
O56T 0.020 (3) 0.019 (3) 0.013 (3) 0.011 (2) 0.003 (2) −0.003 (2)
Na1 0.035 (2) 0.027 (2) 0.040 (2) 0.0101 (17) 0.0161 (18) 0.0027 (18)
Na2 0.0203 (16) 0.0149 (17) 0.0182 (18) 0.0082 (14) 0.0041 (13) 0.0035 (14)
Na3 0.0195 (16) 0.0193 (18) 0.0210 (19) 0.0094 (14) 0.0050 (14) 0.0011 (15)
Na4 0.0174 (15) 0.0157 (17) 0.0167 (18) 0.0082 (13) 0.0003 (13) −0.0009 (14)
Na5 0.0170 (15) 0.0152 (17) 0.0138 (17) 0.0063 (13) 0.0024 (12) 0.0009 (13)
Na6 0.0232 (18) 0.0217 (18) 0.039 (2) 0.0115 (15) 0.0097 (16) 0.0091 (16)
Na7 0.0176 (16) 0.0214 (18) 0.0189 (18) 0.0072 (14) 0.0011 (13) 0.0009 (14)
Na8 0.0191 (16) 0.0192 (18) 0.0192 (18) 0.0078 (14) 0.0001 (13) 0.0018 (14)
Na9 0.047 (3) 0.060 (3) 0.051 (3) 0.023 (2) 0.017 (2) 0.009 (2)
O1W 0.031 (4) 0.031 (4) 0.050 (5) 0.010 (3) 0.009 (3) −0.001 (3)
O2W 0.060 (5) 0.021 (4) 0.047 (5) 0.028 (4) 0.024 (4) 0.007 (3)
O3W 0.111 (7) 0.028 (4) 0.006 (3) 0.044 (5) 0.007 (4) 0.004 (3)
O4W 0.023 (3) 0.032 (4) 0.025 (4) 0.019 (3) 0.012 (3) 0.011 (3)
O5W 0.047 (4) 0.024 (4) 0.011 (3) 0.013 (3) −0.002 (3) −0.003 (3)
O6W 0.025 (3) 0.015 (3) 0.022 (3) 0.011 (3) 0.001 (3) −0.002 (3)
O7W 0.028 (3) 0.027 (4) 0.024 (4) 0.014 (3) 0.010 (3) 0.003 (3)
O8W 0.046 (4) 0.029 (4) 0.022 (4) 0.021 (3) 0.005 (3) 0.007 (3)
O9W 0.049 (4) 0.026 (4) 0.015 (3) 0.026 (3) 0.007 (3) 0.000 (3)
O10W 0.093 (7) 0.046 (5) 0.026 (4) 0.052 (5) 0.017 (4) 0.015 (4)
O11W 0.033 (4) 0.020 (3) 0.024 (3) 0.011 (3) 0.010 (3) 0.005 (3)
O12W 0.024 (3) 0.013 (3) 0.018 (3) 0.008 (2) 0.005 (2) 0.001 (2)
O13W 0.021 (3) 0.018 (3) 0.016 (3) 0.012 (2) 0.005 (2) 0.003 (2)
O14W 0.018 (3) 0.019 (3) 0.018 (3) 0.011 (2) 0.005 (2) 0.004 (3)
O15W 0.018 (3) 0.027 (4) 0.026 (4) 0.006 (3) 0.009 (3) 0.000 (3)
O16W 0.017 (3) 0.026 (3) 0.025 (4) 0.007 (3) 0.010 (3) 0.003 (3)
O17W 0.021 (3) 0.028 (4) 0.033 (4) 0.010 (3) 0.003 (3) −0.001 (3)
O18W 0.017 (3) 0.023 (3) 0.026 (3) 0.012 (3) 0.003 (2) 0.003 (3)
O19W 0.018 (3) 0.017 (3) 0.022 (3) 0.008 (2) 0.007 (2) 0.004 (3)
O20W 0.020 (3) 0.013 (3) 0.022 (3) 0.011 (2) 0.003 (2) 0.001 (2)
O21W 0.024 (3) 0.018 (3) 0.025 (3) 0.012 (3) 0.006 (3) 0.007 (3)
O22W 0.019 (3) 0.019 (3) 0.014 (3) 0.013 (2) 0.001 (2) 0.004 (2)
O23W 0.018 (3) 0.016 (3) 0.022 (3) 0.008 (2) 0.002 (2) 0.001 (3)
O24W 0.089 (6) 0.039 (4) 0.060 (5) 0.046 (5) 0.061 (5) 0.037 (4)
O25W 0.031 (4) 0.051 (5) 0.051 (5) 0.025 (4) 0.016 (3) 0.031 (4)
O26W 0.044 (5) 0.048 (5) 0.069 (6) 0.018 (4) 0.000 (4) 0.019 (5)
O27W 0.050 (5) 0.035 (4) 0.053 (5) 0.019 (4) 0.002 (4) 0.002 (4)
O28W 0.031 (4) 0.049 (5) 0.057 (5) 0.020 (4) 0.016 (4) 0.012 (4)
O29W 0.030 (3) 0.032 (4) 0.020 (3) 0.019 (3) 0.014 (3) 0.014 (3)
O30W 0.026 (3) 0.022 (3) 0.033 (4) 0.013 (3) 0.008 (3) 0.005 (3)
O31W 0.033 (3) 0.023 (3) 0.021 (4) 0.018 (3) 0.004 (3) −0.003 (3)
O32W 0.043 (4) 0.035 (4) 0.023 (4) 0.005 (3) 0.004 (3) −0.001 (3)
O33W 0.023 (3) 0.019 (3) 0.022 (3) 0.011 (3) 0.010 (2) 0.005 (3)
O34W 0.052 (5) 0.025 (4) 0.041 (4) 0.018 (3) −0.001 (4) −0.001 (3)
O35W 0.033 (4) 0.029 (4) 0.038 (4) 0.007 (3) −0.005 (3) −0.001 (3)
O36W 0.052 (5) 0.026 (4) 0.044 (5) 0.016 (4) −0.014 (4) −0.009 (4)
O37W 0.061 (5) 0.069 (5) 0.031 (4) 0.054 (5) 0.002 (4) −0.009 (4)
O38W 0.044 (5) 0.065 (6) 0.059 (6) 0.023 (4) 0.003 (4) −0.003 (5)
O39W 0.058 (6) 0.034 (5) 0.081 (7) 0.013 (4) 0.013 (5) 0.013 (5)
O40W 0.075 (7) 0.045 (5) 0.064 (7) −0.002 (5) −0.015 (5) 0.015 (5)

Geometric parameters (Å, º)

Pt1—O1D 1.970 (5) V17—O34C 2.035 (5)
Pt1—O2D 1.982 (5) V17—O30D 2.265 (5)
Pt1—O4C 2.012 (5) V17—V18 3.1050 (18)
Pt1—O7B 2.012 (5) V18—O55T 1.603 (6)
Pt1—O3C 2.025 (5) V18—O48B 1.779 (5)
Pt1—O8B 2.025 (5) V18—O44B 1.907 (5)
Pt1—V8 3.1038 (14) V18—O34C 1.942 (5)
Pt1—V6 3.1065 (13) V18—O32C 2.057 (5)
Pt1—V7 3.1239 (13) V18—O29D 2.253 (5)
Pt1—V9 3.1393 (13) O35B—H35 0.85 (3)
Pt1—V1 3.1495 (13) O36B—H36 0.84 (3)
Pt1—V4 3.1627 (13) O44B—H44 0.84 (3)
V1—O21T 1.603 (5) O49T—Na8ii 2.420 (7)
V1—O12B 1.830 (5) Na1—O29W 2.353 (7)
V1—O16B 1.882 (5) Na1—O27W 2.360 (9)
V1—O13B 1.882 (5) Na1—O12W 2.379 (7)
V1—O7B 2.058 (5) Na1—O1W 2.421 (8)
V1—O1D 2.340 (5) Na1—O28W 2.448 (8)
V1—V5 3.1109 (19) Na1—O2W 2.742 (9)
V2—O22T 1.604 (5) Na2—O3W 2.361 (7)
V2—O9B 1.832 (6) Na2—O30W 2.364 (7)
V2—O14B 1.841 (6) Na2—O31W 2.372 (7)
V2—O15B 1.904 (5) Na2—O13W 2.378 (6)
V2—O8B 2.076 (5) Na2—O6W 2.425 (7)
V2—O2D 2.387 (5) Na2—O12W 2.488 (7)
V2—V3 3.1190 (19) Na2—Na3 3.506 (4)
V3—O23T 1.595 (6) Na3—O5W 2.355 (7)
V3—O9B 1.837 (5) Na3—O13W 2.387 (6)
V3—O19B 1.840 (5) Na3—O4W 2.399 (7)
V3—O18B 1.883 (6) Na3—O14W 2.407 (6)
V3—O10B 2.054 (5) Na3—O17W 2.409 (7)
V3—O2D 2.382 (5) Na3—O6W 2.429 (7)
V3—V4 3.1027 (18) Na4—O8W 2.358 (8)
V4—O10B 1.674 (5) Na4—O22W 2.387 (6)
V4—O11B 1.675 (5) Na4—O20W 2.397 (7)
V4—O6C 1.916 (5) Na4—O33W 2.400 (7)
V4—O5C 1.922 (5) Na4—O18W 2.436 (6)
V4—O2D 2.159 (5) Na4—O19W 2.441 (6)
V4—O1D 2.174 (5) Na5—O9W 2.339 (7)
V5—O24T 1.578 (6) Na5—O10W 2.357 (8)
V5—O17B 1.838 (5) Na5—O22W 2.382 (6)
V5—O12B 1.842 (6) Na5—O20W 2.389 (6)
V5—O20B 1.896 (5) Na5—O23W 2.418 (6)
V5—O11B 2.059 (5) Na5—O21W 2.425 (7)
V5—O1D 2.419 (5) Na5—H10B 2.59 (12)
V6—O25T 1.602 (5) Na6—O23W 2.375 (7)
V6—O13B 1.805 (5) Na6—O11W 2.380 (7)
V6—O17B 1.843 (5) Na6—O25W 2.390 (7)
V6—O3C 2.001 (5) Na6—O21W 2.417 (7)
V6—O5C 2.023 (5) Na6—O24W 2.436 (8)
V6—O1D 2.271 (5) Na6—O34W 2.444 (8)
V6—V7 3.1090 (18) Na7—O7W 2.385 (7)
V7—O26T 1.610 (5) Na7—O14W 2.399 (6)
V7—O18B 1.802 (5) Na7—O15W 2.419 (7)
V7—O14B 1.847 (5) Na7—O16W 2.432 (7)
V7—O5C 2.007 (5) Na7—O17W 2.432 (7)
V7—O3C 2.036 (5) Na7—O22Tii 2.454 (6)
V7—O2D 2.255 (5) Na8—O19W 2.373 (6)
V8—O27T 1.599 (6) Na8—O49Ti 2.420 (7)
V8—O15B 1.808 (5) Na8—O16Wi 2.428 (7)
V8—O19B 1.840 (5) Na8—O32W 2.428 (8)
V8—O4C 2.024 (5) Na8—O15Wi 2.431 (7)
V8—O6C 2.026 (5) Na8—O18W 2.444 (7)
V8—O2D 2.268 (5) Na9—O24Wiii 2.204 (11)
V9—O28T 1.603 (5) Na9—O26W 2.319 (9)
V9—O20B 1.805 (5) Na9—O26Wiv 2.395 (10)
V9—O16B 1.851 (5) Na9—O25Wv 2.410 (9)
V9—O6C 1.987 (5) O1W—H1A 0.92 (3)
V9—O4C 2.056 (5) O1W—H1B 0.90 (3)
V9—O1D 2.260 (5) O2W—H2A 0.90 (3)
O7B—H7 0.85 (3) O2W—H2B 0.88 (3)
O8B—H8 0.86 (3) O3W—H3A 0.86 (3)
O15B—O50T 2.889 (8) O3W—H3B 0.87 (3)
O18B—Na9 2.498 (7) O4W—H4A 0.84 (3)
O22T—Na7i 2.454 (6) O4W—H4B 0.84 (3)
O23T—Na9 2.847 (7) O5W—H5A 0.87 (3)
Pt2—O29D 1.966 (5) O5W—H5B 0.86 (3)
Pt2—O30D 1.980 (5) O6W—H6A 0.85 (3)
Pt2—O32C 2.010 (5) O6W—H6B 0.84 (3)
Pt2—O35B 2.015 (5) O7W—H7A 0.83 (3)
Pt2—O31C 2.017 (5) O7W—H7B 0.84 (3)
Pt2—O36B 2.017 (5) O8W—H8A 0.86 (3)
Pt2—V17 3.1101 (13) O8W—H8B 0.85 (3)
Pt2—V15 3.1193 (13) O9W—H9A 0.85 (3)
Pt2—V16 3.1202 (13) O9W—H9B 0.84 (3)
Pt2—V18 3.1413 (14) O10W—H10A 0.88 (3)
Pt2—V10 3.1485 (13) O10W—H10B 0.87 (3)
Pt2—V11 3.1613 (13) O11W—H11A 0.87 (3)
V10—O49T 1.590 (6) O11W—H11B 0.89 (3)
V10—O41B 1.820 (5) O12W—H12A 0.9900
V10—O40B 1.841 (6) O12W—H12B 0.9900
V10—O44B 1.950 (6) O13W—H13A 0.9900
V10—O35B 2.059 (5) O13W—H13B 0.9900
V10—O29D 2.340 (5) O14W—H14A 0.9900
V10—V14 3.1158 (19) O14W—H14B 0.9900
V11—O50T 1.585 (6) O15W—H15A 0.9900
V11—O37B 1.846 (5) O15W—H15B 0.9900
V11—O42B 1.882 (5) O16W—H16A 0.9900
V11—O43B 1.905 (6) O16W—H16B 0.9900
V11—O36B 2.035 (5) O17W—H17A 0.9900
V11—O30D 2.399 (5) O17W—H17B 0.9900
V12—O51T 1.596 (5) O18W—H18A 0.9900
V12—O37B 1.813 (6) O18W—H18B 0.9900
V12—O46B 1.853 (5) O19W—H19A 0.9900
V12—O47B 1.869 (6) O19W—H19B 0.9900
V12—O38B 2.103 (5) O20W—H20A 0.9900
V12—O30D 2.408 (5) O20W—H20B 0.9900
V13—O38B 1.666 (5) O21W—H21A 0.9900
V13—O39B 1.683 (5) O21W—H21B 0.9900
V13—O33C 1.919 (5) O22W—H22A 0.9900
V13—O34C 1.929 (5) O22W—H22B 0.9900
V13—O30D 2.136 (5) O23W—H23A 0.9900
V13—O29D 2.215 (5) O23W—H23B 0.9900
V14—O52T 1.583 (6) O24W—H24A 0.9900
V14—O40B 1.819 (5) O24W—H24B 0.9900
V14—O45B 1.854 (5) O25W—H25A 0.9900
V14—O48B 1.904 (5) O25W—H25B 0.9900
V14—O39B 2.048 (5) O26W—H26A 0.9900
V14—O29D 2.383 (5) O26W—H26B 0.9900
V15—O53T 1.591 (5) O27W—H27A 0.9800
V15—O45B 1.824 (5) O27W—H27B 0.9800
V15—O41B 1.859 (5) O28W—H28A 0.9800
V15—O33C 1.989 (5) O28W—H28B 0.9800
V15—O31C 1.992 (5) O29W—H29A 0.9800
V15—O29D 2.302 (5) O29W—H29B 0.9800
V15—V16 3.0899 (18) O30W—H30A 0.9800
V16—O54T 1.603 (5) O30W—H30B 0.9800
V16—O42B 1.808 (5) O31W—H31A 0.9800
V16—O46B 1.834 (5) O31W—H31B 0.9800
V16—O31C 2.032 (5) O32W—H32A 0.9800
V16—O33C 2.033 (5) O32W—H32B 0.9800
V16—O30D 2.260 (5) O33W—H33A 0.9800
V17—O56T 1.601 (5) O33W—H33B 0.9800
V17—O47B 1.821 (5) O34W—H34A 0.9801
V17—O43B 1.822 (6) O34W—H34B 0.9801
V17—O32C 2.027 (5)
O1D—Pt1—O2D 85.0 (2) O40B—V10—O35B 157.9 (2)
O1D—Pt1—O4C 85.4 (2) O44B—V10—O35B 83.5 (2)
O2D—Pt1—O4C 86.0 (2) O49T—V10—O29D 174.4 (3)
O1D—Pt1—O7B 87.7 (2) O41B—V10—O29D 77.4 (2)
O2D—Pt1—O7B 172.5 (2) O40B—V10—O29D 80.7 (2)
O4C—Pt1—O7B 95.1 (2) O44B—V10—O29D 73.9 (2)
O1D—Pt1—O3C 85.4 (2) O35B—V10—O29D 77.41 (19)
O2D—Pt1—O3C 85.2 (2) O49T—V10—V14 135.4 (2)
O4C—Pt1—O3C 167.8 (2) O41B—V10—V14 83.73 (17)
O7B—Pt1—O3C 92.5 (2) O40B—V10—V14 31.43 (16)
O1D—Pt1—O8B 173.5 (2) O44B—V10—V14 81.89 (17)
O2D—Pt1—O8B 88.5 (2) O35B—V10—V14 126.73 (15)
O4C—Pt1—O8B 94.3 (2) O29D—V10—V14 49.32 (13)
O7B—Pt1—O8B 98.8 (2) O49T—V10—Pt2 136.6 (2)
O3C—Pt1—O8B 93.9 (2) O41B—V10—Pt2 77.74 (16)
O1D—Pt1—V8 89.71 (15) O40B—V10—Pt2 119.20 (17)
O2D—Pt1—V8 46.83 (15) O44B—V10—Pt2 76.50 (16)
O4C—Pt1—V8 39.88 (15) O35B—V10—Pt2 38.88 (14)
O7B—Pt1—V8 134.92 (15) O29D—V10—Pt2 38.55 (13)
O3C—Pt1—V8 132.08 (15) V14—V10—Pt2 87.86 (4)
O8B—Pt1—V8 85.95 (16) O50T—V11—O37B 102.3 (3)
O1D—Pt1—V6 46.84 (14) O50T—V11—O42B 103.7 (3)
O2D—Pt1—V6 89.20 (15) O37B—V11—O42B 91.4 (2)
O4C—Pt1—V6 132.19 (14) O50T—V11—O43B 104.1 (3)
O7B—Pt1—V6 84.60 (15) O37B—V11—O43B 90.0 (2)
O3C—Pt1—V6 39.23 (14) O42B—V11—O43B 151.2 (2)
O8B—Pt1—V6 133.10 (15) O50T—V11—O36B 99.6 (3)
V8—Pt1—V6 123.87 (4) O37B—V11—O36B 158.1 (2)
O1D—Pt1—V7 89.07 (14) O42B—V11—O36B 83.3 (2)
O2D—Pt1—V7 46.00 (15) O43B—V11—O36B 84.7 (2)
O4C—Pt1—V7 131.97 (15) O50T—V11—O30D 176.9 (3)
O7B—Pt1—V7 132.36 (15) O37B—V11—O30D 80.8 (2)
O3C—Pt1—V7 39.83 (15) O42B—V11—O30D 75.7 (2)
O8B—Pt1—V7 86.34 (15) O43B—V11—O30D 76.2 (2)
V8—Pt1—V7 92.55 (3) O36B—V11—O30D 77.27 (19)
V6—Pt1—V7 59.87 (3) O50T—V11—Pt2 138.2 (2)
O1D—Pt1—V9 45.75 (14) O37B—V11—Pt2 119.53 (17)
O2D—Pt1—V9 88.58 (14) O42B—V11—Pt2 77.15 (16)
O4C—Pt1—V9 40.01 (14) O43B—V11—Pt2 77.21 (16)
O7B—Pt1—V9 87.51 (15) O36B—V11—Pt2 38.53 (15)
O3C—Pt1—V9 131.16 (14) O30D—V11—Pt2 38.74 (12)
O8B—Pt1—V9 134.34 (15) O51T—V12—O37B 105.4 (3)
V8—Pt1—V9 60.05 (3) O51T—V12—O46B 104.2 (3)
V6—Pt1—V9 92.40 (3) O37B—V12—O46B 91.9 (2)
V7—Pt1—V9 121.82 (3) O51T—V12—O47B 104.1 (3)
O1D—Pt1—V1 47.87 (15) O37B—V12—O47B 91.5 (2)
O2D—Pt1—V1 132.90 (15) O46B—V12—O47B 149.5 (2)
O4C—Pt1—V1 89.57 (14) O51T—V12—O38B 100.7 (3)
O7B—Pt1—V1 39.84 (15) O37B—V12—O38B 153.9 (2)
O3C—Pt1—V1 90.19 (14) O46B—V12—O38B 82.4 (2)
O8B—Pt1—V1 138.59 (15) O47B—V12—O38B 81.4 (2)
V8—Pt1—V1 120.36 (3) O51T—V12—O30D 173.4 (3)
V6—Pt1—V1 60.49 (3) O37B—V12—O30D 81.2 (2)
V7—Pt1—V1 120.36 (3) O46B—V12—O30D 75.2 (2)
V9—Pt1—V1 60.34 (3) O47B—V12—O30D 75.5 (2)
O1D—Pt1—V4 42.71 (15) O38B—V12—O30D 72.73 (19)
O2D—Pt1—V4 42.31 (14) O38B—V13—O39B 108.8 (3)
O4C—Pt1—V4 84.03 (15) O38B—V13—O33C 99.2 (2)
O7B—Pt1—V4 130.38 (15) O39B—V13—O33C 97.2 (2)
O3C—Pt1—V4 83.75 (15) O38B—V13—O34C 98.1 (2)
O8B—Pt1—V4 130.82 (15) O39B—V13—O34C 97.4 (2)
V8—Pt1—V4 61.95 (3) O33C—V13—O34C 152.3 (2)
V6—Pt1—V4 61.92 (3) O38B—V13—O30D 89.0 (2)
V7—Pt1—V4 61.13 (3) O39B—V13—O30D 162.2 (2)
V9—Pt1—V4 60.69 (3) O33C—V13—O30D 79.4 (2)
V1—Pt1—V4 90.58 (3) O34C—V13—O30D 79.5 (2)
O21T—V1—O12B 102.9 (3) O38B—V13—O29D 164.9 (2)
O21T—V1—O16B 102.5 (3) O39B—V13—O29D 86.3 (2)
O12B—V1—O16B 91.3 (2) O33C—V13—O29D 79.6 (2)
O21T—V1—O13B 104.3 (3) O34C—V13—O29D 78.1 (2)
O12B—V1—O13B 91.2 (2) O30D—V13—O29D 75.97 (19)
O16B—V1—O13B 151.8 (2) O38B—V13—Pt2 126.97 (19)
O21T—V1—O7B 97.3 (2) O39B—V13—Pt2 124.23 (18)
O12B—V1—O7B 159.8 (2) O33C—V13—Pt2 76.42 (16)
O16B—V1—O7B 85.8 (2) O34C—V13—Pt2 75.92 (16)
O13B—V1—O7B 82.2 (2) O30D—V13—Pt2 38.00 (13)
O21T—V1—O1D 174.6 (2) O29D—V13—Pt2 37.97 (13)
O12B—V1—O1D 82.5 (2) O52T—V14—O40B 103.9 (3)
O16B—V1—O1D 76.5 (2) O52T—V14—O45B 103.4 (3)
O13B—V1—O1D 75.9 (2) O40B—V14—O45B 91.3 (2)
O7B—V1—O1D 77.38 (19) O52T—V14—O48B 103.8 (3)
O21T—V1—V5 135.1 (2) O40B—V14—O48B 90.9 (2)
O12B—V1—V5 32.21 (17) O45B—V14—O48B 151.2 (2)
O16B—V1—V5 84.60 (17) O52T—V14—O39B 101.8 (3)
O13B—V1—V5 82.68 (17) O40B—V14—O39B 154.3 (2)
O7B—V1—V5 127.61 (16) O45B—V14—O39B 83.7 (2)
O1D—V1—V5 50.29 (12) O48B—V14—O39B 82.0 (2)
O21T—V1—Pt1 136.0 (2) O52T—V14—O29D 176.2 (3)
O12B—V1—Pt1 121.12 (17) O40B—V14—O29D 79.9 (2)
O16B—V1—Pt1 77.65 (16) O45B—V14—O29D 76.9 (2)
O13B—V1—Pt1 77.00 (16) O48B—V14—O29D 75.3 (2)
O7B—V1—Pt1 38.78 (15) O39B—V14—O29D 74.43 (19)
O1D—V1—Pt1 38.63 (12) O52T—V14—V10 135.7 (2)
V5—V1—Pt1 88.92 (4) O40B—V14—V10 31.87 (17)
O22T—V2—O9B 104.1 (3) O45B—V14—V10 82.04 (17)
O22T—V2—O14B 103.9 (3) O48B—V14—V10 84.85 (17)
O9B—V2—O14B 93.1 (2) O39B—V14—V10 122.54 (16)
O22T—V2—O15B 104.7 (3) O29D—V14—V10 48.14 (12)
O9B—V2—O15B 89.2 (2) O53T—V15—O45B 102.3 (3)
O14B—V2—O15B 149.8 (2) O53T—V15—O41B 103.9 (3)
O22T—V2—O8B 97.8 (3) O45B—V15—O41B 92.5 (2)
O9B—V2—O8B 158.1 (2) O53T—V15—O33C 102.1 (3)
O14B—V2—O8B 83.4 (2) O45B—V15—O33C 90.3 (2)
O15B—V2—O8B 83.3 (2) O41B—V15—O33C 152.6 (2)
O22T—V2—O2D 175.0 (3) O53T—V15—O31C 100.0 (3)
O9B—V2—O2D 80.9 (2) O45B—V15—O31C 156.3 (2)
O14B—V2—O2D 75.8 (2) O41B—V15—O31C 89.7 (2)
O15B—V2—O2D 74.9 (2) O33C—V15—O31C 77.4 (2)
O8B—V2—O2D 77.25 (19) O53T—V15—O29D 177.4 (2)
O22T—V2—V3 135.9 (2) O45B—V15—O29D 79.6 (2)
O9B—V2—V3 31.83 (16) O41B—V15—O29D 77.7 (2)
O14B—V2—V3 84.70 (17) O33C—V15—O29D 76.0 (2)
O15B—V2—V3 81.58 (17) O31C—V15—O29D 77.85 (19)
O8B—V2—V3 126.31 (15) O53T—V15—V16 91.9 (2)
O2D—V2—V3 49.08 (13) O45B—V15—V16 130.58 (17)
O22T—V2—Pt1 136.4 (2) O41B—V15—V16 129.82 (17)
O9B—V2—Pt1 119.47 (17) O33C—V15—V16 40.32 (15)
O14B—V2—Pt1 76.32 (16) O31C—V15—V16 40.33 (15)
O15B—V2—Pt1 76.36 (16) O29D—V15—V16 85.47 (13)
O8B—V2—Pt1 38.68 (14) O53T—V15—Pt2 139.1 (2)
O2D—V2—Pt1 38.58 (12) O45B—V15—Pt2 118.55 (17)
V3—V2—Pt1 87.65 (4) O41B—V15—Pt2 78.08 (16)
O23T—V3—O9B 103.8 (3) O33C—V15—Pt2 76.71 (15)
O23T—V3—O19B 105.1 (3) O31C—V15—Pt2 39.20 (15)
O9B—V3—O19B 92.0 (2) O29D—V15—Pt2 38.98 (13)
O23T—V3—O18B 102.5 (3) V16—V15—Pt2 60.33 (3)
O9B—V3—O18B 89.7 (2) O54T—V16—O42B 104.9 (3)
O19B—V3—O18B 151.1 (2) O54T—V16—O46B 103.4 (3)
O23T—V3—O10B 101.3 (3) O42B—V16—O46B 94.8 (2)
O9B—V3—O10B 154.8 (2) O54T—V16—O31C 98.2 (2)
O19B—V3—O10B 83.7 (2) O42B—V16—O31C 91.3 (2)
O18B—V3—O10B 82.6 (2) O46B—V16—O31C 155.2 (2)
O23T—V3—O2D 174.7 (3) O54T—V16—O33C 99.6 (3)
O9B—V3—O2D 81.0 (2) O42B—V16—O33C 153.6 (2)
O19B—V3—O2D 76.7 (2) O46B—V16—O33C 88.8 (2)
O18B—V3—O2D 75.1 (2) O31C—V16—O33C 75.5 (2)
O10B—V3—O2D 73.89 (19) O54T—V16—O30D 173.3 (2)
O23T—V3—V4 131.2 (2) O42B—V16—O30D 80.8 (2)
O9B—V3—V4 124.91 (17) O46B—V16—O30D 79.4 (2)
O19B—V3—V4 77.94 (17) O31C—V16—O30D 77.92 (19)
O18B—V3—V4 77.53 (16) O33C—V16—O30D 74.2 (2)
O10B—V3—V4 29.94 (15) O54T—V16—V15 89.4 (2)
O2D—V3—V4 43.96 (12) O42B—V16—V15 130.56 (17)
O23T—V3—V2 135.5 (2) O46B—V16—V15 128.07 (18)
O9B—V3—V2 31.72 (17) O31C—V16—V15 39.37 (14)
O19B—V3—V2 84.66 (17) O33C—V16—V15 39.29 (14)
O18B—V3—V2 81.72 (17) O30D—V16—V15 84.14 (13)
O10B—V3—V2 123.10 (16) O54T—V16—Pt2 137.5 (2)
O2D—V3—V2 49.23 (12) O42B—V16—Pt2 79.19 (17)
V4—V3—V2 93.19 (5) O46B—V16—Pt2 118.62 (18)
O23T—V3—Na9 60.4 (2) O31C—V16—Pt2 39.41 (14)
O9B—V3—Na9 76.93 (19) O33C—V16—Pt2 76.17 (15)
O19B—V3—Na9 157.87 (19) O30D—V16—Pt2 39.23 (12)
O18B—V3—Na9 49.40 (18) V15—V16—Pt2 60.30 (3)
O10B—V3—Na9 114.31 (18) O56T—V17—O47B 102.2 (3)
O2D—V3—Na9 119.39 (16) O56T—V17—O43B 104.6 (3)
V4—V3—Na9 124.12 (10) O47B—V17—O43B 95.4 (2)
V2—V3—Na9 94.90 (10) O56T—V17—O32C 98.3 (3)
O10B—V4—O11B 108.3 (3) O47B—V17—O32C 156.0 (2)
O10B—V4—O6C 98.3 (2) O43B—V17—O32C 91.3 (2)
O11B—V4—O6C 97.8 (2) O56T—V17—O34C 99.4 (3)
O10B—V4—O5C 98.0 (2) O47B—V17—O34C 88.9 (2)
O11B—V4—O5C 98.3 (2) O43B—V17—O34C 154.1 (2)
O6C—V4—O5C 152.2 (2) O32C—V17—O34C 75.5 (2)
O10B—V4—O2D 87.7 (2) O56T—V17—O30D 173.4 (3)
O11B—V4—O2D 163.9 (2) O47B—V17—O30D 80.1 (2)
O6C—V4—O2D 79.0 (2) O43B—V17—O30D 81.3 (2)
O5C—V4—O2D 79.2 (2) O32C—V17—O30D 78.16 (19)
O10B—V4—O1D 163.8 (2) O34C—V17—O30D 74.30 (19)
O11B—V4—O1D 87.8 (2) O56T—V17—V18 89.8 (2)
O6C—V4—O1D 78.9 (2) O47B—V17—V18 126.52 (18)
O5C—V4—O1D 79.2 (2) O43B—V17—V18 131.95 (17)
O2D—V4—O1D 76.10 (19) O32C—V17—V18 40.86 (15)
O10B—V4—V3 37.78 (18) O34C—V17—V18 37.60 (14)
O11B—V4—V3 146.1 (2) O30D—V17—V18 83.91 (13)
O6C—V4—V3 88.88 (15) O56T—V17—Pt2 137.7 (2)
O5C—V4—V3 90.29 (15) O47B—V17—Pt2 119.53 (17)
O2D—V4—V3 49.98 (14) O43B—V17—Pt2 79.64 (17)
O1D—V4—V3 126.07 (14) O32C—V17—Pt2 39.42 (14)
O10B—V4—Pt1 125.93 (18) O34C—V17—Pt2 76.02 (15)
O11B—V4—Pt1 125.73 (19) O30D—V17—Pt2 39.42 (12)
O6C—V4—Pt1 75.88 (15) V18—V17—Pt2 60.72 (3)
O5C—V4—Pt1 76.31 (15) O55T—V18—O48B 105.3 (3)
O2D—V4—Pt1 38.18 (14) O55T—V18—O44B 101.9 (3)
O1D—V4—Pt1 37.92 (13) O48B—V18—O44B 92.8 (2)
V3—V4—Pt1 88.15 (4) O55T—V18—O34C 103.1 (3)
O24T—V5—O17B 104.5 (3) O48B—V18—O34C 92.5 (2)
O24T—V5—O12B 105.9 (3) O44B—V18—O34C 152.0 (2)
O17B—V5—O12B 92.4 (2) O55T—V18—O32C 96.5 (3)
O24T—V5—O20B 103.6 (3) O48B—V18—O32C 157.5 (2)
O17B—V5—O20B 150.0 (2) O44B—V18—O32C 88.1 (2)
O12B—V5—O20B 89.8 (2) O34C—V18—O32C 76.9 (2)
O24T—V5—O11B 100.5 (3) O55T—V18—O29D 173.5 (3)
O17B—V5—O11B 83.9 (2) O48B—V18—O29D 81.1 (2)
O12B—V5—O11B 153.4 (2) O44B—V18—O29D 76.8 (2)
O20B—V5—O11B 81.0 (2) O34C—V18—O29D 76.9 (2)
O24T—V5—O1D 173.9 (3) O32C—V18—O29D 77.16 (19)
O17B—V5—O1D 76.0 (2) O55T—V18—V17 90.8 (2)
O12B—V5—O1D 80.0 (2) O48B—V18—V17 132.26 (18)
O20B—V5—O1D 74.98 (19) O44B—V18—V17 128.03 (18)
O11B—V5—O1D 73.46 (19) O34C—V18—V17 39.74 (15)
O24T—V5—V1 137.9 (2) O32C—V18—V17 40.16 (14)
O17B—V5—V1 83.64 (17) O29D—V18—V17 85.18 (13)
O12B—V5—V1 31.96 (16) O55T—V18—Pt2 135.1 (2)
O20B—V5—V1 82.54 (17) O48B—V18—Pt2 119.60 (18)
O11B—V5—V1 121.53 (15) O44B—V18—Pt2 77.19 (17)
O1D—V5—V1 48.09 (12) O34C—V18—Pt2 76.33 (16)
O25T—V6—O13B 104.8 (3) O32C—V18—Pt2 38.89 (14)
O25T—V6—O17B 102.3 (3) O29D—V18—Pt2 38.49 (13)
O13B—V6—O17B 94.0 (2) V17—V18—Pt2 59.72 (3)
O25T—V6—O3C 98.7 (2) Pt2—O29D—V13 98.2 (2)
O13B—V6—O3C 91.9 (2) Pt2—O29D—V18 96.0 (2)
O17B—V6—O3C 155.9 (2) V13—O29D—V18 90.60 (19)
O25T—V6—O5C 100.9 (3) Pt2—O29D—V15 93.6 (2)
O13B—V6—O5C 153.2 (2) V13—O29D—V15 90.63 (19)
O17B—V6—O5C 88.0 (2) V18—O29D—V15 170.1 (3)
O3C—V6—O5C 76.5 (2) Pt2—O29D—V10 93.6 (2)
O25T—V6—O1D 175.2 (2) V13—O29D—V10 167.9 (3)
O13B—V6—O1D 79.2 (2) V18—O29D—V10 91.21 (18)
O17B—V6—O1D 79.8 (2) V15—O29D—V10 85.57 (17)
O3C—V6—O1D 78.45 (19) Pt2—O29D—V14 175.8 (3)
O5C—V6—O1D 74.86 (19) V13—O29D—V14 85.67 (18)
O25T—V6—Pt1 138.3 (2) V18—O29D—V14 85.54 (18)
O13B—V6—Pt1 79.13 (17) V15—O29D—V14 84.72 (17)
O17B—V6—Pt1 119.03 (16) V10—O29D—V14 82.54 (16)
O3C—V6—Pt1 39.77 (14) Pt2—O30D—V13 100.4 (2)
O5C—V6—Pt1 76.55 (15) Pt2—O30D—V16 94.5 (2)
O1D—V6—Pt1 39.24 (12) V13—O30D—V16 93.9 (2)
O25T—V6—V7 91.0 (2) Pt2—O30D—V17 94.0 (2)
O13B—V6—V7 131.65 (17) V13—O30D—V17 93.8 (2)
O17B—V6—V7 127.32 (17) V16—O30D—V17 167.3 (2)
O3C—V6—V7 40.04 (15) Pt2—O30D—V11 91.9 (2)
O5C—V6—V7 39.33 (14) V13—O30D—V11 167.7 (2)
O1D—V6—V7 84.38 (13) V16—O30D—V11 85.03 (17)
Pt1—V6—V7 60.35 (3) V17—O30D—V11 85.29 (17)
O26T—V7—O18B 102.9 (3) Pt2—O30D—V12 172.9 (3)
O26T—V7—O14B 104.7 (3) V13—O30D—V12 86.73 (18)
O18B—V7—O14B 94.4 (2) V16—O30D—V12 85.41 (17)
O26T—V7—O5C 100.3 (2) V17—O30D—V12 84.97 (16)
O18B—V7—O5C 90.7 (2) V11—O30D—V12 80.97 (15)
O14B—V7—O5C 152.6 (2) V15—O31C—Pt2 102.2 (2)
O26T—V7—O3C 98.2 (3) V15—O31C—V16 100.3 (2)
O18B—V7—O3C 156.8 (2) Pt2—O31C—V16 100.8 (2)
O14B—V7—O3C 89.3 (2) Pt2—O32C—V17 100.8 (2)
O5C—V7—O3C 76.1 (2) Pt2—O32C—V18 101.1 (2)
O26T—V7—O2D 174.8 (2) V17—O32C—V18 99.0 (2)
O18B—V7—O2D 80.0 (2) V13—O33C—V15 110.5 (3)
O14B—V7—O2D 79.2 (2) V13—O33C—V16 108.7 (2)
O5C—V7—O2D 75.24 (19) V15—O33C—V16 100.4 (2)
O3C—V7—O2D 78.27 (19) V13—O34C—V18 110.3 (2)
O26T—V7—V6 90.4 (2) V13—O34C—V17 108.4 (2)
O18B—V7—V6 130.40 (17) V18—O34C—V17 102.7 (2)
O14B—V7—V6 128.33 (18) Pt2—O35B—V10 101.2 (2)
O5C—V7—V6 39.71 (15) Pt2—O35B—H35 114 (6)
O3C—V7—V6 39.24 (14) V10—O35B—H35 112 (6)
O2D—V7—V6 84.51 (13) Pt2—O36B—V11 102.6 (2)
O26T—V7—Pt1 137.7 (2) Pt2—O36B—H36 115 (6)
O18B—V7—Pt1 119.17 (18) V11—O36B—H36 117 (6)
O14B—V7—Pt1 77.68 (16) V12—O37B—V11 117.1 (3)
O5C—V7—Pt1 76.32 (14) V13—O38B—V12 111.6 (3)
O3C—V7—Pt1 39.57 (14) V13—O39B—V14 113.6 (3)
O2D—V7—Pt1 39.22 (13) V14—O40B—V10 116.7 (3)
V6—V7—Pt1 59.79 (3) V10—O41B—V15 118.0 (3)
O27T—V8—O15B 104.2 (3) V16—O42B—V11 117.2 (3)
O27T—V8—O19B 102.8 (3) V17—O43B—V11 116.0 (3)
O15B—V8—O19B 94.1 (2) V18—O44B—V10 116.6 (3)
O27T—V8—O4C 98.2 (3) V18—O44B—H44 129 (6)
O15B—V8—O4C 92.4 (2) V10—O44B—H44 114 (6)
O19B—V8—O4C 155.8 (2) V15—O45B—V14 118.3 (3)
O27T—V8—O6C 101.4 (3) V16—O46B—V12 118.4 (3)
O15B—V8—O6C 153.1 (2) V17—O47B—V12 117.7 (3)
O19B—V8—O6C 88.1 (2) V18—O48B—V14 117.5 (3)
O4C—V8—O6C 75.9 (2) V11—O50T—O15B 118.8 (3)
O27T—V8—O2D 175.0 (2) O29W—Na1—O27W 100.4 (3)
O15B—V8—O2D 79.8 (2) O29W—Na1—O12W 96.9 (2)
O19B—V8—O2D 79.7 (2) O27W—Na1—O12W 93.8 (3)
O4C—V8—O2D 78.5 (2) O29W—Na1—O1W 165.5 (3)
O6C—V8—O2D 74.26 (19) O27W—Na1—O1W 86.1 (3)
O27T—V8—Pt1 137.5 (2) O12W—Na1—O1W 95.6 (3)
O15B—V8—Pt1 79.50 (18) O29W—Na1—O28W 83.7 (3)
O19B—V8—Pt1 119.27 (18) O27W—Na1—O28W 85.7 (3)
O4C—V8—Pt1 39.58 (14) O12W—Na1—O28W 179.3 (3)
O6C—V8—Pt1 76.10 (15) O1W—Na1—O28W 83.9 (3)
O2D—V8—Pt1 39.60 (13) O29W—Na1—O2W 83.8 (2)
O28T—V9—O20B 103.0 (3) O27W—Na1—O2W 147.5 (3)
O28T—V9—O16B 104.0 (3) O12W—Na1—O2W 117.8 (3)
O20B—V9—O16B 94.6 (2) O1W—Na1—O2W 83.9 (3)
O28T—V9—O6C 100.5 (3) O28W—Na1—O2W 62.6 (3)
O20B—V9—O6C 91.2 (2) O3W—Na2—O30W 97.7 (3)
O16B—V9—O6C 152.8 (2) O3W—Na2—O31W 165.1 (3)
O28T—V9—O4C 98.4 (2) O30W—Na2—O31W 90.3 (2)
O20B—V9—O4C 156.8 (2) O3W—Na2—O13W 85.3 (3)
O16B—V9—O4C 88.8 (2) O30W—Na2—O13W 175.3 (3)
O6C—V9—O4C 76.0 (2) O31W—Na2—O13W 86.0 (2)
O28T—V9—O1D 174.6 (2) O3W—Na2—O6W 84.5 (3)
O20B—V9—O1D 80.9 (2) O30W—Na2—O6W 90.2 (2)
O16B—V9—O1D 79.2 (2) O31W—Na2—O6W 82.9 (2)
O6C—V9—O1D 75.5 (2) O13W—Na2—O6W 86.4 (2)
O4C—V9—O1D 77.26 (19) O3W—Na2—O12W 101.4 (3)
O28T—V9—Pt1 137.3 (2) O30W—Na2—O12W 90.3 (2)
O20B—V9—Pt1 119.51 (17) O31W—Na2—O12W 91.2 (2)
O16B—V9—Pt1 78.31 (16) O13W—Na2—O12W 92.8 (2)
O6C—V9—Pt1 75.68 (15) O6W—Na2—O12W 174.0 (2)
O4C—V9—Pt1 38.97 (14) O5W—Na3—O13W 93.8 (3)
O1D—V9—Pt1 38.65 (12) O5W—Na3—O4W 107.2 (3)
Pt1—O1D—V4 99.4 (2) O13W—Na3—O4W 101.7 (2)
Pt1—O1D—V9 95.6 (2) O5W—Na3—O14W 173.2 (3)
V4—O1D—V9 91.78 (19) O13W—Na3—O14W 83.7 (2)
Pt1—O1D—V6 93.9 (2) O4W—Na3—O14W 79.6 (2)
V4—O1D—V6 93.01 (19) O5W—Na3—O17W 93.2 (3)
V9—O1D—V6 168.5 (2) O13W—Na3—O17W 167.2 (3)
Pt1—O1D—V1 93.5 (2) O4W—Na3—O17W 86.4 (2)
V4—O1D—V1 167.1 (2) O14W—Na3—O17W 88.2 (2)
V9—O1D—V1 86.79 (17) O5W—Na3—O6W 93.6 (2)
V6—O1D—V1 86.21 (17) O13W—Na3—O6W 86.1 (2)
Pt1—O1D—V5 175.0 (3) O4W—Na3—O6W 157.1 (3)
V4—O1D—V5 85.52 (18) O14W—Na3—O6W 80.0 (2)
V9—O1D—V5 85.31 (17) O17W—Na3—O6W 82.8 (2)
V6—O1D—V5 84.66 (17) O8W—Na4—O22W 95.2 (2)
V1—O1D—V5 81.62 (16) O8W—Na4—O20W 96.8 (3)
Pt1—O2D—V4 99.5 (2) O22W—Na4—O20W 87.9 (2)
Pt1—O2D—V7 94.8 (2) O8W—Na4—O33W 106.4 (3)
V4—O2D—V7 92.8 (2) O22W—Na4—O33W 98.9 (2)
Pt1—O2D—V8 93.6 (2) O20W—Na4—O33W 155.0 (2)
V4—O2D—V8 93.51 (19) O8W—Na4—O18W 91.8 (2)
V7—O2D—V8 168.6 (2) O22W—Na4—O18W 169.3 (2)
Pt1—O2D—V3 174.3 (3) O20W—Na4—O18W 83.3 (2)
V4—O2D—V3 86.07 (18) O33W—Na4—O18W 86.8 (2)
V7—O2D—V3 85.94 (17) O8W—Na4—O19W 176.3 (3)
V8—O2D—V3 85.00 (18) O22W—Na4—O19W 83.1 (2)
Pt1—O2D—V2 92.8 (2) O20W—Na4—O19W 79.8 (2)
V4—O2D—V2 167.7 (3) O33W—Na4—O19W 77.2 (2)
V7—O2D—V2 85.56 (17) O18W—Na4—O19W 89.4 (2)
V8—O2D—V2 86.25 (18) O9W—Na5—O10W 179.4 (3)
V3—O2D—V2 81.69 (16) O9W—Na5—O22W 88.5 (2)
V6—O3C—Pt1 101.0 (2) O10W—Na5—O22W 92.2 (3)
V6—O3C—V7 100.7 (2) O9W—Na5—O20W 84.9 (2)
Pt1—O3C—V7 100.6 (2) O10W—Na5—O20W 95.0 (3)
Pt1—O4C—V8 100.5 (2) O22W—Na5—O20W 88.2 (2)
Pt1—O4C—V9 101.0 (2) O9W—Na5—O23W 88.6 (2)
V8—O4C—V9 99.9 (2) O10W—Na5—O23W 91.5 (3)
V4—O5C—V7 108.9 (2) O22W—Na5—O23W 92.0 (2)
V4—O5C—V6 109.7 (2) O20W—Na5—O23W 173.5 (2)
V7—O5C—V6 101.0 (2) O9W—Na5—O21W 85.8 (3)
V4—O6C—V9 109.3 (2) O10W—Na5—O21W 93.6 (3)
V4—O6C—V8 109.8 (2) O22W—Na5—O21W 174.3 (2)
V9—O6C—V8 102.2 (2) O20W—Na5—O21W 91.7 (2)
Pt1—O7B—V1 101.4 (2) O23W—Na5—O21W 87.5 (2)
Pt1—O7B—H7 115 (6) O23W—Na6—O11W 166.4 (3)
V1—O7B—H7 108 (6) O23W—Na6—O25W 91.9 (2)
Pt1—O8B—V2 101.5 (2) O11W—Na6—O25W 87.3 (3)
Pt1—O8B—H8 100 (6) O23W—Na6—O21W 88.7 (2)
V2—O8B—H8 128 (6) O11W—Na6—O21W 94.2 (2)
V2—O9B—V3 116.5 (3) O25W—Na6—O21W 171.0 (3)
V4—O10B—V3 112.3 (3) O23W—Na6—O24W 86.0 (2)
V4—O11B—V5 113.2 (3) O11W—Na6—O24W 81.0 (3)
V1—O12B—V5 115.8 (3) O25W—Na6—O24W 104.2 (3)
V6—O13B—V1 117.5 (3) O21W—Na6—O24W 84.8 (3)
V2—O14B—V7 117.6 (3) O23W—Na6—O34W 99.5 (3)
V8—O15B—V2 118.1 (3) O11W—Na6—O34W 93.9 (3)
V8—O15B—O50T 106.1 (2) O25W—Na6—O34W 83.6 (3)
V2—O15B—O50T 129.2 (3) O21W—Na6—O34W 87.5 (3)
V9—O16B—V1 115.7 (3) O24W—Na6—O34W 170.4 (3)
V5—O17B—V6 118.3 (3) O7W—Na7—O14W 78.9 (2)
V7—O18B—V3 118.2 (3) O7W—Na7—O15W 170.2 (3)
V3—O19B—V8 117.3 (3) O14W—Na7—O15W 94.0 (2)
V9—O20B—V5 117.9 (3) O7W—Na7—O16W 106.5 (2)
O29D—Pt2—O30D 85.5 (2) O14W—Na7—O16W 94.8 (2)
O29D—Pt2—O32C 85.2 (2) O15W—Na7—O16W 80.7 (2)
O30D—Pt2—O32C 85.7 (2) O7W—Na7—O17W 92.0 (2)
O29D—Pt2—O35B 87.8 (2) O14W—Na7—O17W 87.8 (2)
O30D—Pt2—O35B 173.2 (2) O15W—Na7—O17W 80.9 (2)
O32C—Pt2—O35B 94.9 (2) O16W—Na7—O17W 161.5 (3)
O29D—Pt2—O31C 85.7 (2) O7W—Na7—O22Tii 86.9 (2)
O30D—Pt2—O31C 85.2 (2) O14W—Na7—O22Tii 165.3 (2)
O32C—Pt2—O31C 167.6 (2) O15W—Na7—O22Tii 100.5 (2)
O35B—Pt2—O31C 93.2 (2) O16W—Na7—O22Tii 85.5 (2)
O29D—Pt2—O36B 173.7 (2) O17W—Na7—O22Tii 96.5 (2)
O30D—Pt2—O36B 88.2 (2) O19W—Na8—O49Ti 166.9 (2)
O32C—Pt2—O36B 95.0 (2) O19W—Na8—O16Wi 94.8 (2)
O35B—Pt2—O36B 98.5 (2) O49Ti—Na8—O16Wi 96.9 (2)
O31C—Pt2—O36B 93.1 (2) O19W—Na8—O32W 84.5 (2)
O29D—Pt2—V17 90.02 (14) O49Ti—Na8—O32W 85.0 (2)
O30D—Pt2—V17 46.60 (15) O16Wi—Na8—O32W 169.4 (3)
O32C—Pt2—V17 39.82 (14) O19W—Na8—O15Wi 92.8 (2)
O35B—Pt2—V17 134.64 (15) O49Ti—Na8—O15Wi 83.3 (2)
O31C—Pt2—V17 131.80 (14) O16Wi—Na8—O15Wi 80.5 (2)
O36B—Pt2—V17 86.12 (15) O32W—Na8—O15Wi 110.1 (3)
O29D—Pt2—V15 47.45 (15) O19W—Na8—O18W 90.8 (2)
O30D—Pt2—V15 88.06 (15) O49Ti—Na8—O18W 96.8 (2)
O32C—Pt2—V15 132.61 (15) O16Wi—Na8—O18W 81.1 (2)
O35B—Pt2—V15 86.57 (15) O32W—Na8—O18W 88.3 (3)
O31C—Pt2—V15 38.63 (14) O15Wi—Na8—O18W 161.5 (3)
O36B—Pt2—V15 131.77 (15) O24Wiii—Na9—O26W 114.8 (4)
V17—Pt2—V15 123.17 (3) O24Wiii—Na9—O26Wiv 88.6 (3)
O29D—Pt2—V16 90.58 (15) O26W—Na9—O26Wiv 90.2 (3)
O30D—Pt2—V16 46.23 (15) O24Wiii—Na9—O25Wv 158.6 (3)
O32C—Pt2—V16 131.88 (14) O26W—Na9—O25Wv 86.1 (3)
O35B—Pt2—V16 132.89 (15) O26Wiv—Na9—O25Wv 86.9 (3)
O31C—Pt2—V16 39.78 (14) O24Wiii—Na9—O18B 77.0 (3)
O36B—Pt2—V16 84.62 (15) O26W—Na9—O18B 94.9 (3)
V17—Pt2—V16 92.42 (3) O26Wiv—Na9—O18B 165.5 (3)
V15—Pt2—V16 59.37 (3) O25Wv—Na9—O18B 107.0 (3)
O29D—Pt2—V18 45.50 (15) O24Wiii—Na9—O23T 93.2 (3)
O30D—Pt2—V18 87.66 (15) O26W—Na9—O23T 138.4 (3)
O32C—Pt2—V18 39.97 (15) O26Wiv—Na9—O23T 122.2 (3)
O35B—Pt2—V18 88.41 (15) O25Wv—Na9—O23T 71.8 (2)
O31C—Pt2—V18 131.12 (14) O18B—Na9—O23T 60.72 (19)
O36B—Pt2—V18 134.92 (15) H1A—O1W—H1B 100 (4)
V17—Pt2—V18 59.56 (3) H2A—O2W—H2B 101 (4)
V15—Pt2—V18 92.92 (3) H3A—O3W—H3B 107 (5)
V16—Pt2—V18 121.99 (4) H4A—O4W—H4B 114 (5)
O29D—Pt2—V10 47.89 (14) H5A—O5W—H5B 106 (5)
O30D—Pt2—V10 133.33 (15) H6A—O6W—H6B 110 (5)
O32C—Pt2—V10 91.75 (15) H7A—O7W—H7B 116 (5)
O35B—Pt2—V10 39.90 (15) H8A—O8W—H8B 110 (5)
O31C—Pt2—V10 88.43 (14) H9A—O9W—H9B 111 (5)
O36B—Pt2—V10 138.32 (15) H10A—O10W—H10B 103 (5)
V17—Pt2—V10 122.46 (4) H11A—O11W—H11B 104 (4)
V15—Pt2—V10 60.42 (3) H12A—O12W—H12B 107.5
V16—Pt2—V10 119.75 (4) H13A—O13W—H13B 110.2
V18—Pt2—V10 62.92 (3) H14A—O14W—H14B 110.6
O29D—Pt2—V11 134.82 (15) H15A—O15W—H15B 109.6
O30D—Pt2—V11 49.32 (15) H16A—O16W—H16B 109.6
O32C—Pt2—V11 90.33 (15) H17A—O17W—H17B 110.7
O35B—Pt2—V11 137.40 (15) H18A—O18W—H18B 111.0
O31C—Pt2—V11 90.06 (14) H19A—O19W—H19B 110.8
O36B—Pt2—V11 38.92 (15) H20A—O20W—H20B 110.7
V17—Pt2—V11 60.53 (4) H21A—O21W—H21B 110.7
V15—Pt2—V11 119.55 (4) H22A—O22W—H22B 110.6
V16—Pt2—V11 60.19 (3) H23A—O23W—H23B 110.6
V18—Pt2—V11 120.09 (3) H24A—O24W—H24B 107.6
V10—Pt2—V11 176.76 (4) H25A—O25W—H25B 106.3
O49T—V10—O41B 105.2 (3) H26A—O26W—H26B 110.9
O49T—V10—O40B 104.0 (3) H28A—O28W—H28B 109.5
O41B—V10—O40B 93.0 (2) H29A—O29W—H29B 109.5
O49T—V10—O44B 102.9 (3) H30A—O30W—H30B 109.5
O41B—V10—O44B 150.8 (2) H31A—O31W—H31B 109.5
O40B—V10—O44B 87.8 (2) H32A—O32W—H32B 109.5
O49T—V10—O35B 97.7 (3) H33A—O33W—H33B 109.5
O41B—V10—O35B 85.0 (2) H34A—O34W—H34B 109.5

Symmetry codes: (i) x−1, y, z; (ii) x+1, y, z; (iii) −x+1, −y+2, −z+1; (iv) −x, −y+1, −z+1; (v) x−1, y−1, z.

Hydrogen-bond geometry (Å, º)

D—H···A D—H H···A D···A D—H···A
O7B—H7···O32C 0.85 (3) 1.79 (3) 2.627 (7) 171 (8)
O8B—H8···O43B 0.86 (3) 1.89 (3) 2.737 (7) 169 (8)
O35B—H35···O16B 0.85 (3) 1.86 (4) 2.685 (7) 164 (9)
O36B—H36···O4C 0.84 (3) 1.79 (3) 2.628 (7) 174 (8)
O44B—H44···O21T 0.84 (3) 2.00 (6) 2.724 (8) 144 (8)
O1W—H1B···O40Bv 0.90 (3) 2.18 (9) 2.845 (9) 130 (9)
O2W—H2B···O47Bvi 0.88 (3) 1.88 (3) 2.757 (8) 178 (12)
O3W—H3A···O39Bvi 0.86 (3) 2.01 (4) 2.856 (9) 168 (10)
O3W—H3B···O33Cvii 0.87 (3) 1.97 (6) 2.795 (8) 159 (12)
O4W—H4A···O51Tii 0.84 (3) 2.08 (3) 2.893 (8) 163 (8)
O4W—H4B···O41B 0.84 (3) 1.96 (4) 2.780 (8) 165 (10)
O5W—H5B···O46Bvii 0.86 (3) 1.94 (5) 2.743 (8) 154 (9)
O6W—H6A···O7W 0.85 (3) 2.03 (3) 2.872 (9) 170 (9)
O6W—H6B···O48Bvi 0.84 (3) 2.02 (5) 2.810 (8) 158 (9)
O7W—H7A···O28T 0.83 (3) 2.26 (5) 2.951 (8) 141 (8)
O7W—H7B···O34Wvi 0.84 (3) 2.05 (6) 2.794 (10) 148 (8)
O8W—H8A···O17Biii 0.86 (3) 1.93 (5) 2.760 (8) 161 (9)
O8W—H8B···O23Tviii 0.85 (3) 2.12 (7) 2.872 (9) 148 (10)
O9W—H9A···O7B 0.85 (3) 2.01 (5) 2.826 (8) 161 (9)
O9W—H9B···O37W 0.84 (3) 2.39 (6) 3.073 (11) 138 (8)
O10W—H10A···O5Ciii 0.88 (3) 1.92 (4) 2.782 (9) 165 (11)
O11W—H11A···O22Tix 0.87 (3) 2.23 (5) 3.061 (8) 158 (9)
O12W—H12A···O42B 0.99 1.92 2.861 (8) 159
O12W—H12B···O53Tvii 0.99 2.00 2.956 (8) 160
O13W—H13A···O31C 0.99 1.84 2.831 (7) 176
O13W—H13B···O54Tvii 0.99 1.93 2.905 (8) 169
O14W—H14A···O35B 0.99 1.96 2.806 (8) 142
O14W—H14B···O31W 0.99 2.03 2.928 (8) 151
O15W—H15A···O4W 0.99 1.92 2.819 (9) 149
O16W—H16A···O20B 0.99 2.51 3.054 (7) 115
O16W—H16B···O33Wii 0.99 1.88 2.764 (9) 147
O17W—H17A···O37Bii 0.99 2.06 3.013 (8) 162
O17W—H17A···O50Tii 0.99 2.60 3.205 (8) 119
O18W—H18A···O39Wviii 0.99 1.97 2.942 (10) 167
O18W—H18B···O12Bi 0.99 2.01 2.977 (8) 165
O19W—H19A···O9W 0.99 2.05 2.949 (9) 149
O19W—H19B···O8B 0.99 1.99 2.867 (8) 146
O20W—H20A···O32W 0.99 1.94 2.857 (9) 152
O20W—H20B···O19Bviii 0.99 1.81 2.753 (8) 157
O21W—H21A···O37W 0.99 1.93 2.836 (10) 151
O21W—H21B···O6Cviii 0.99 1.90 2.869 (8) 164
O22W—H22A···O25Tiii 0.99 1.94 2.920 (8) 170
O22W—H22B···O3C 0.99 1.83 2.819 (7) 173
O23W—H23A···O26Tiii 0.99 2.04 2.993 (8) 160
O23W—H23B···O13B 0.99 1.87 2.840 (8) 167
O24W—H24A···O11Bviii 0.99 1.97 2.887 (9) 152
O24W—H24B···O10W 0.99 2.15 3.082 (13) 157
O25W—H25A···O9Bix 0.99 2.07 2.874 (9) 137
O25W—H25B···O35W 0.99 1.93 2.880 (10) 160
O26W—H26A···O11Wv 0.99 1.88 2.848 (11) 165
O26W—H26B···O38W 0.99 1.86 2.811 (12) 161
O27W—H27A···O36W 0.98 2.11 2.881 (10) 135
O27W—H27B···O29Wx 0.98 2.09 2.891 (10) 138
O28W—H28A···O27Wx 0.98 1.78 2.692 (11) 153
O28W—H28B···O40Bv 0.98 2.45 2.994 (9) 115
O29W—H29A···O38Bvi 0.98 2.12 2.992 (8) 147
O29W—H29B···O45Bvii 0.98 1.93 2.755 (8) 141
O30W—H30A···O2W 0.98 2.03 2.877 (10) 143
O30W—H30B···O37Wvi 0.98 1.93 2.893 (10) 167
O31W—H31B···O36B 0.98 2.08 2.812 (8) 130
O32W—H32A···O40Wviii 0.98 1.96 2.901 (13) 160
O32W—H32B···O2Wviii 0.98 2.01 2.896 (10) 150
O33W—H33A···O38W 0.98 2.13 2.833 (11) 128
O33W—H33B···O14B 0.98 1.81 2.786 (8) 178
O34W—H34A···O55T 0.98 2.29 3.038 (9) 132
O34W—H34B···O39Wix 0.98 2.02 2.979 (12) 166

Symmetry codes: (i) x−1, y, z; (ii) x+1, y, z; (iii) −x+1, −y+2, −z+1; (v) x−1, y−1, z; (vi) x, y−1, z; (vii) −x+1, −y+1, −z; (viii) x, y+1, z; (ix) x+1, y+1, z; (x) −x, −y, −z.

References

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Associated Data

This section collects any data citations, data availability statements, or supplementary materials included in this article.

Supplementary Materials

Crystal structure: contains datablock(s) New_Global_Publ_Block, I. DOI: 10.1107/S2056989015010956/pk2554sup1.cif

e-71-00786-sup1.cif (1.3MB, cif)

Structure factors: contains datablock(s) I. DOI: 10.1107/S2056989015010956/pk2554Isup2.hkl

e-71-00786-Isup2.hkl (1.5MB, hkl)

CCDC reference: 1405348

Additional supporting information: crystallographic information; 3D view; checkCIF report


Articles from Acta Crystallographica Section E: Crystallographic Communications are provided here courtesy of International Union of Crystallography

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