Na⁺[Me₃NB₁₂Cl₁₁]⁻·SO₂: a rare example of a sodium–SO₂ complex

In the title compound, the SO₂ mol­ecule is η ¹-O-coordinated to the Na⁺ cation. The Na⁺ cation has a coordination number of eight in a distorted twofold capped trigonal prism and makes contacts to three individual boron cluster anions resulting in an overall three-dimensional network.

Abstract

In the title compound, Na⁺[Me₃NB₁₂Cl₁₁]⁻·SO₂ [systematic name: sodium 1-(trimethylammonio)­undeca­chloro-closo-dodeca­borate sulfur dioxide], the SO₂ mol­ecule is η ¹-O-coordinated to the Na⁺ cation. Surprisingly, the SO₂ mol­ecule is more weakly bound to sodium than is found in other sodium–SO₂ complexes and the SO₂ mol­ecule is essentially undistorted compared to the structure of free SO₂. The Na⁺ cation has a coordination number of eight in a distorted twofold-capped trigonal prism and makes contacts to three individual boron cluster anions, resulting in an overall three-dimensional network. Although the number of known η ¹-O-coordinated SO₂ complexes is growing, sodium-SO₂ complexes are still rare.

Chemical context  

Liquid sulfur dioxide is a polar but only very weakly coordinating solvent (Waddington, 1965 ▸), which is frequently used in organic and inorganic synthesis. The coordination chemistry in and of sulfur dioxide has been the topic of various reviews (Mingos, 1978 ▸; Ryan et al., 1981 ▸; Mews et al., 2000 ▸). Initially, only S- and η ²-S,O-coordination of SO₂ with soft transition-metal centers were investigated, but it was subsequently shown that η ¹-O-coordination of SO₂ is preferred with hard main-group and transition-metal cations. Theoretical studies established that the oxygen–metal cation bonds are purely ionic (Decken et al., 2009 ▸; Derendorf et al., 2010 ▸). Mews and co-workers crystallized metal hexa­fluoro arsenates M[AsF₆] (M = alkaline-earth and transition-metal cations) from liquid sulfur dioxide to obtain their SO₂ complexes (Mews et al., 2000 ▸). Unfortunately, the alkali-metal hexa­fluoro arsenates, M[AsF₆] (M = Li, Na, K), are almost insoluble in liquid sulfur dioxide and the corresponding SO₂ complexes remained elusive. Until recently, only two examples of alkali-metal–SO₂ complexes were known; namely, the η ²-O,O bridged coordination complexes, [Li(OSO)_6/2][AlCl₄] (Simon et al., 1980 ▸) and [Na(OSO)_1.5][AlCl₄] (Peters et al., 1982 ▸), crystallized in the presence of the [AlCl₄]⁻ anion. Only after the introduction of modern weakly coordinating anions into sulfur dioxide coordination chemistry could alkali-metal sulfur dioxide complexes be studied intentionally. By using a large fluorinated aluminate anion, the crystal structure of [(OSO)₂Li{AlF(Al(OR)₃}Li{Al(OR)₄}] [R = C(CF₃)₃] (Cameron et al., 2010 ▸) was determined. In addition, use of halogenated closo-dodeca­borates [B₁₂ X ₁₂]²⁻ (X = F–I) led to a systematic study of alkali-metal sulfur dioxide complexes (Derendorf et al., 2010 ▸). Halogenated closo-dodeca­borates belong to the growing class of modern weakly coordinating anions (Knapp, 2013 ▸). The [Me₃NB₁₂Cl₁₁]⁻ anion represents a recent modification of the halogenated closo-dodeca­borates and possesses a reduced charge of −1 (Bolli et al., 2014 ▸). This anion has been utilized very recently to stabilize a variety of reactive cations in the solid state (e.g. Bertocco et al., 2016 ▸) and has been applied in silver-free gold catalysis (Wegener et al., 2015 ▸). From a failed attempt to prepare [Et₃SiOS(H)OSiEt₃][Me₃NB₁₂Cl₁₁]⁻, we obtained single crystals of the title compound as a by-product. Na⁺[Me₃NB₁₂Cl₁₁]⁻·SO₂ is a rare example of a sodium–SO₂ complex, and its crystal structure is discussed herein.

Structural commentary  

The title salt crystallizes with one SO₂ mol­ecule per formula unit (Fig. 1 ▸). The SO₂ mol­ecule is η ¹-O-bonded to the Na⁺ cation, as is expected for SO₂ coordination to hard-metal centers. The Na⁺—O distance of 2.428 (4) Å is about 0.1 Å longer than the average Na⁺⋯O distance (of 2.34 Å) found in the Na₂[B₁₂ X ₁₂]·nSO₂ (X = H, Cl–I) complexes, which indicates weaker coordination. The S—O bonds are essentially of equal length [1.428 (3) and 1.412 (4) Å; Table 1 ▸] and very close to the values found in a free SO₂ mol­ecule in either the solid state [1.4299 (3) Å; Grabowsky et al., 2012 ▸] or in the gas phase [1.4343 (3) Å; Holder & Fink, 1981 ▸]. This behaviour is in contrast to that observed in other coordination compounds with η ¹-O-coordinated terminal SO₂ ligands (e.g. Mews et al., 2000 ▸) where lengthening of the S—O_c bond and shortening of the S—O_t bond occurs, as predicted by theoretical concepts (Decken et al., 2009 ▸; Derendorf et al., 2010 ▸). Thus, the current finding is in accord with weaker coordination of the SO₂ mol­ecule to Na⁺ than is found in other SO₂ complexes of hard metal cations. In addition to coordinating to the SO₂ mol­ecule, each sodium cation coordinates to seven of the eleven chlorine atoms of the boron cluster (Fig. 1 ▸).

Figure 1.

Coordination sphere around the Na⁺ cation. The Na⁺ cation makes a total of eight contacts (dashed lines) to three individual boron cluster anions and to one sulfur dioxide mol­ecule. Displacement ellipsoids are drawn at the 50% probability level and hydrogen atoms are shown with arbitrary radii. Symmetry codes: (a) 1 + x, y, z; (b) −1 + x, − + y,  − z.

Table 1. Selected geometric parameters (Å, °).

Cl4—Na1i	3.209 (2)	Cl5—B5	1.800 (5)
Cl5—Na1ii	3.050 (2)	Cl6—B6	1.801 (4)
Cl6—Na1ii	3.031 (2)	Cl7—B7	1.792 (5)
Cl7—Na1	3.179 (2)	Cl8—B8	1.783 (4)
Cl9—Na1i	2.975 (2)	Cl9—B9	1.803 (4)
Cl10—Na1ii	3.051 (2)	Cl10—B10	1.800 (5)
Cl12—Na1	2.870 (2)	Cl11—B11	1.779 (5)
S1—O1	1.428 (3)	Cl12—B12	1.796 (5)
S1—O2	1.412 (4)	N1—B1	1.600 (5)
Na1—O1	2.428 (4)	N1—C1	1.510 (5)
Cl2—B2	1.785 (5)	N1—C2	1.503 (5)
Cl3—B3	1.797 (4)	N1—C3	1.503 (6)
Cl4—B4	1.800 (5)
O1—S1—O2	116.8 (2)	S1—O1—Na1	147.0 (2)

Symmetry codes: (i) ; (ii) .

In the packed structure, two sodium cations are coordinated in an η ²-fashion to two chlorine atoms, while a third sodium cation is coordinated in an η ³-manner to three chlorine atoms (Fig. 2 ▸). The Cl⋯Na⁺ distances range from 2.870 (2) to 3.209 (2) Å, and are, on average, longer than those in Na₂[B₁₂Cl₁₂]·4SO₂ (i.e. 3.052 vs 2.929 Å) (Derendorf et al., 2010 ▸), and are in accord with the sum of the van der Waals radius of chlorine (1.75 Å; Mantina et al., 2009 ▸) and the ionic radius of sodium (1.18 Å; Shannon, 1976 ▸) of 2.93 Å. However, when anisotropy of the van der Waals radius (Batsanov, 2001 ▸) is taken into account, the inter­molecular distances are still in the expected range. The B—Cl bond lengths of the chlorine atoms coordinating to Na⁺ lie in the range 1.796 (5) to 1.803 (4) Å (av. 1.799 Å) and are only slightly longer than those of the non-coordinating chlorine atoms [1.779 (5) to 1.797 (4) Å, av. 1.786 Å]. It has previously been noted that the presence of strong Lewis acids, such as Me⁺ or R ₃Si⁺, leads to a significant elongation of the B—Cl bonds by up to 0.1 Å (Bolli et al., 2010 ▸, 2014 ▸; Kessler et al., 2010 ▸). Therefore, in the title compound, the Cl⋯Na⁺ inter­action can be classified as weak and the singly charged [Me₃NB₁₂Cl₁₁]⁻ anion is more weakly coordinating towards Na⁺ than the doubly charged [B₁₂Cl₁₂]²⁻ anion.

Figure 2.

Coordination sphere around one [Me₃NB₁₂Cl₁₁]⁻ anion. The boron cluster anions form a total of seven contacts (dashed lines) to three individual Na⁺ cations. Displacement ellipsoids are drawn at the 50% probability level and hydrogen atoms are shown with arbitrary radii. Symmetry codes: (a) 1 + x, y, z; (b) 1 − x,  + y,  − z.

Supra­molecular features  

The Na⁺ cation is surrounded by seven chlorine atoms from three different boron clusters and one oxygen atom from a SO₂ mol­ecule, resulting in a total coordination number of 8 (Fig. 1 ▸) and giving rise to a three-dimensional network. The polyhedron around Na⁺ may be best described as a distorted twofold-capped trigonal prism (Fig. 3 ▸). The structure of the title compound is reminiscent of that of Ag[Me₃NB₁₂Cl₁₁]·SO₂ (Jenne & Wegener, 2018 ▸), although the coordination sphere around the metal cations is different in the two structures. The Na⁺⋯Cl contacts are weaker than the Ag⁺⋯Cl contacts and there is also only one SO₂ mol­ecule per cation present in the title compound. The [Me₃NB₁₂Cl₁₁]⁻ anions are placed in a body-centered cubic arrangement (Fig. 4 ▸) with some of the inter­molecular Cl⋯Cl distances being shorter than the sum of the van Waals radii (3.50 Å; Mantina et al., 2009 ▸). The [Me₃NB₁₂Cl₁₁]⁻ anions pack quite efficiently in the solid state and unlike in Na₂[B₁₂Cl₁₂]·4SO₂, where the structure contains two mol­ecules of SO₂ per sodium cation to separate the doubly charged anions, only one SO₂ mol­ecule is required in this case.

Figure 3.

Distorted twofold-capped trigonal prism around the Na⁺ cation. Displacement ellipsoids are drawn at the 50% probability level.

Figure 4.

Part of the crystal structure illustrating the distorted body-centered cubic arrangement of the [Me₃NB₁₂Cl₁₁]⁻ anions. Displacement ellipsoids are drawn at the 50% probability level and hydrogen atoms were omitted for clarity. Selected inter­molecular contacts below 3.5 Å are shown [dashed lines; Cl2⋯Cl6 = 3.492 (14) Å and Cl8⋯Cl11 = 3.3760 (14) Å].

Database survey  

The [Me₃NB₁₂Cl₁₁]⁻ anion was first reported in 2014 (Bolli et al., 2014 ▸) and a variety of crystal structures containing this anion have been published (e.g. Saleh et al., 2016 ▸; Bertocco et al., 2016 ▸; Bolli et al., 2017 ▸; Jenne & Wegener, 2018 ▸), in which the [Me₃NB₁₂Cl₁₁]⁻ anion is essentially identical to that reported in this study. Sodium complexes of fluorinated closo-dodeca­borates were studied recently by Strauss and co-workers (Bukovsky et al., 2017a ▸,b ▸). Sodium–SO₂ complexes are still rare. Only the complex [Na(OSO)_1.5][AlCl₄] (Peters et al., 1982 ▸) and four complexes of the type Na₂[B₁₂ X ₁₂]·nSO₂ (X = H, Cl–I) (Derendorf et al., 2010 ▸) are known. The number of η ¹-O-bonded SO₂ complexes is growing, although there is still some terra incognita in the Periodic Table. Structures published before the year 2000 are compiled in a review (Mews et al., 2000 ▸). Recent examples include alkali-metal (Cameron et al., 2010 ▸; Derendorf et al., 2010 ▸; Malischewski et al., 2016 ▸) and transition-metal complexes (Knapp & Mews, 2005 ▸; Akkuş et al., 2006 ▸; Decken et al., 2009 ▸; Aris et al., 2011 ▸; Malischewski et al., 2016 ▸, Jenne & Wegener, 2018 ▸).

Synthesis and crystallization  

The crystals were obtained as a by-product from a reaction of [CPh₃][Me₃NB₁₂Cl₁₁] with Et₃SiH and SO₂ in 1,2-di­fluoro­benzene designed to give [Et₃SiOS(H)OSiEt₃][Me₃NB₁₂Cl₁₁]⁻ in analogy to a published procedure (Kessler et al., 2010 ▸). Crystallization of the red–brown product from 1,2-di­fluoro­benzene/n-pentane yielded the title compound as colorless crystals. The source of the sodium cation remains uncertain, but it may arise from an incomplete conversion of Na[Me₃NB₁₂Cl₁₁] to [CPh₃][Me₃NB₁₂Cl₁₁] (Bolli et al., 2014 ▸).

Refinement  

Crystal data, data collection and structure refinement details are summarized in Table 2 ▸. H atoms were placed in calculated positions and refined as riding with C—H = 0.96 Å and U _iso(H) = 1.5U _eq(C).

Table 2. Experimental details.

Crystal data
Chemical formula	Na+C3H9B12Cl11N−·SO2
M r	665.83
Crystal system, space group	Orthorhombic, P212121
Temperature (K)	150
a, b, c (Å)	9.1943 (3), 12.9081 (4), 19.4486 (5)
V (Å3)	2308.19 (11)
Z	4
Radiation type	Mo Kα
μ (mm−1)	1.44
Crystal size (mm)	0.06 × 0.05 × 0.05
Data collection
Diffractometer	Rigaku Oxford Diffraction Xcalibur, Eos, Gemini ultra
Absorption correction	Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸)
T min, T max	0.984, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections	10389, 4967, 4560
R int	0.032
(sin θ/λ)max (Å−1)	0.639
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S	0.031, 0.064, 1.04
No. of reflections	4967
No. of parameters	283
H-atom treatment	H-atom parameters constrained
Δρmax, Δρmin (e Å−3)	0.32, −0.44
Absolute structure	Flack x determined using 1789 quotients [(I +)−(I −)]/[(I +)+(I −)] (Parsons et al., 2013 ▸).
Absolute structure parameter	−0.09 (5)

Computer programs: CrysAlis PRO (Rigaku OD, 2015 ▸), SHELXT (Sheldrick, 2015a ▸), SHELXL (Sheldrick, 2015b ▸), DIAMOND (Brandenburg & Putz, 1999 ▸) and OLEX2 (Dolomanov et al., 2009 ▸).

Supplementary Material

CCDC reference: 1908217

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

supplementary crystallographic information

Crystal data

Na+·C3H9B12Cl11N−·SO2	Dx = 1.916 Mg m−3
Mr = 665.83	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, P212121	Cell parameters from 4780 reflections
a = 9.1943 (3) Å	θ = 2.6–28.9°
b = 12.9081 (4) Å	µ = 1.44 mm−1
c = 19.4486 (5) Å	T = 150 K
V = 2308.19 (11) Å3	Block, colourless
Z = 4	0.06 × 0.05 × 0.05 mm
F(000) = 1296

Data collection

Rigaku Oxford Diffraction Xcalibur, Eos, Gemini ultra diffractometer	4967 independent reflections
Radiation source: fine-focus sealed X-ray tube, Enhance (Mo) X-ray Source	4560 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.032
Detector resolution: 16.2705 pixels mm-1	θmax = 27.0°, θmin = 1.9°
ω scans	h = −11→8
Absorption correction: multi-scan (CrysAlisPro; Rigaku OD, 2015)	k = −16→12
Tmin = 0.984, Tmax = 1.000	l = −24→24
10389 measured reflections

Refinement

Refinement on F2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.031	w = 1/[σ2(Fo2) + (0.026P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.064	(Δ/σ)max < 0.001
S = 1.04	Δρmax = 0.32 e Å−3
4967 reflections	Δρmin = −0.44 e Å−3
283 parameters	Absolute structure: Flack x determined using 1789 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013).
0 restraints	Absolute structure parameter: −0.09 (5)
Primary atom site location: structure-invariant direct methods

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 (Ų)

	x	y	z	Uiso*/Ueq
Cl3	0.54490 (10)	0.60120 (8)	0.50279 (5)	0.0174 (2)
Cl6	1.01248 (10)	0.32550 (8)	0.37747 (5)	0.0167 (2)
Cl5	1.06356 (11)	0.58650 (8)	0.30581 (5)	0.0194 (2)
Cl8	0.43371 (11)	0.66888 (8)	0.33691 (5)	0.0183 (2)
Cl2	0.68060 (11)	0.32798 (8)	0.49788 (5)	0.0183 (2)
Cl4	0.79016 (11)	0.76099 (7)	0.38771 (5)	0.0181 (2)
Cl10	0.88045 (11)	0.39211 (9)	0.21212 (5)	0.0189 (2)
Cl11	0.65146 (11)	0.23842 (8)	0.32551 (5)	0.0171 (2)
Cl12	0.49042 (11)	0.44663 (8)	0.22120 (5)	0.0186 (2)
Cl9	0.74597 (11)	0.66169 (8)	0.21672 (5)	0.0197 (2)
Cl7	0.37526 (11)	0.40537 (8)	0.39531 (5)	0.0172 (2)
S1	0.11196 (13)	0.57107 (9)	0.11604 (6)	0.0263 (3)
Na1	0.19934 (19)	0.38485 (15)	0.25524 (9)	0.0273 (4)
O1	0.1870 (3)	0.4912 (2)	0.15243 (16)	0.0274 (8)
N1	0.9459 (4)	0.5473 (3)	0.49125 (17)	0.0160 (7)
B1	0.8383 (5)	0.5239 (4)	0.4285 (2)	0.0108 (9)
B6	0.8625 (5)	0.4148 (4)	0.3718 (2)	0.0112 (9)
B10	0.7980 (5)	0.4478 (4)	0.2875 (2)	0.0127 (9)
B7	0.5540 (5)	0.4545 (3)	0.3782 (2)	0.0122 (9)
B2	0.7093 (5)	0.4170 (4)	0.4290 (2)	0.0118 (9)
C1	0.8866 (5)	0.6276 (4)	0.5402 (2)	0.0263 (11)
H1A	0.860583	0.688810	0.515050	0.039*
H1B	0.959336	0.644482	0.573805	0.039*
H1C	0.802058	0.600510	0.562979	0.039*
B5	0.8909 (5)	0.5418 (4)	0.3378 (2)	0.0123 (9)
B4	0.7569 (5)	0.6247 (3)	0.3761 (2)	0.0128 (9)
B9	0.7332 (5)	0.5772 (3)	0.2902 (2)	0.0122 (9)
B11	0.6889 (5)	0.3712 (4)	0.3426 (2)	0.0130 (10)
B3	0.6441 (4)	0.5479 (4)	0.4315 (2)	0.0106 (9)
C2	1.0899 (5)	0.5885 (4)	0.4670 (2)	0.0314 (12)
H2A	1.134523	0.539081	0.436710	0.047*
H2B	1.152153	0.600198	0.505865	0.047*
H2C	1.075159	0.652549	0.442895	0.047*
B8	0.5822 (5)	0.5814 (4)	0.3473 (2)	0.0117 (9)
C3	0.9774 (6)	0.4535 (4)	0.5346 (3)	0.0359 (13)
H3A	0.889899	0.431478	0.557199	0.054*
H3B	1.049605	0.470500	0.568433	0.054*
H3C	1.012930	0.398568	0.505844	0.054*
B12	0.6101 (5)	0.4728 (3)	0.2921 (2)	0.0120 (9)
O2	0.1730 (4)	0.6032 (3)	0.05292 (16)	0.0382 (9)

Atomic displacement parameters (Ų)

	U11	U22	U33	U12	U13	U23
Cl3	0.0191 (5)	0.0190 (5)	0.0140 (5)	0.0024 (4)	0.0047 (4)	−0.0039 (4)
Cl6	0.0121 (5)	0.0151 (5)	0.0231 (5)	0.0039 (4)	−0.0010 (4)	−0.0001 (4)
Cl5	0.0131 (5)	0.0220 (6)	0.0231 (5)	−0.0063 (4)	0.0040 (4)	−0.0007 (4)
Cl8	0.0164 (5)	0.0185 (5)	0.0200 (5)	0.0073 (4)	−0.0030 (4)	0.0016 (4)
Cl2	0.0239 (5)	0.0172 (5)	0.0138 (5)	−0.0002 (4)	0.0010 (4)	0.0054 (4)
Cl4	0.0229 (6)	0.0098 (5)	0.0217 (5)	−0.0018 (4)	0.0002 (4)	−0.0018 (4)
Cl10	0.0191 (5)	0.0234 (6)	0.0141 (5)	−0.0009 (4)	0.0052 (4)	−0.0054 (4)
Cl11	0.0212 (5)	0.0117 (5)	0.0183 (5)	−0.0027 (4)	−0.0042 (4)	−0.0031 (4)
Cl12	0.0170 (5)	0.0256 (6)	0.0131 (5)	−0.0022 (4)	−0.0049 (4)	−0.0010 (4)
Cl9	0.0252 (5)	0.0191 (6)	0.0149 (5)	−0.0024 (4)	0.0008 (4)	0.0070 (4)
Cl7	0.0099 (5)	0.0225 (5)	0.0193 (5)	−0.0037 (4)	0.0022 (4)	0.0002 (5)
S1	0.0254 (6)	0.0214 (6)	0.0322 (7)	0.0024 (5)	−0.0012 (5)	0.0017 (5)
Na1	0.0230 (9)	0.0285 (11)	0.0303 (10)	0.0011 (8)	0.0057 (8)	0.0049 (8)
O1	0.0253 (17)	0.0265 (19)	0.0303 (19)	−0.0009 (15)	−0.0034 (15)	0.0026 (15)
N1	0.0158 (17)	0.0180 (19)	0.0140 (18)	0.0008 (15)	−0.0060 (15)	−0.0035 (15)
B1	0.011 (2)	0.009 (2)	0.012 (2)	0.0009 (17)	−0.0018 (19)	−0.0025 (18)
B6	0.010 (2)	0.013 (2)	0.010 (2)	0.0026 (18)	0.0006 (18)	−0.0012 (18)
B10	0.009 (2)	0.016 (2)	0.013 (2)	−0.0010 (18)	−0.0003 (18)	−0.0010 (19)
B7	0.008 (2)	0.015 (2)	0.014 (2)	−0.0011 (18)	−0.0003 (19)	0.0004 (18)
B2	0.013 (2)	0.013 (2)	0.009 (2)	−0.0019 (18)	−0.0010 (18)	0.0008 (18)
C1	0.027 (2)	0.032 (3)	0.020 (2)	0.005 (2)	−0.008 (2)	−0.012 (2)
B5	0.011 (2)	0.014 (2)	0.012 (2)	−0.0023 (18)	0.0009 (19)	−0.0007 (18)
B4	0.015 (2)	0.009 (2)	0.015 (2)	−0.0027 (18)	0.0004 (19)	0.0014 (17)
B9	0.013 (2)	0.014 (2)	0.009 (2)	−0.0013 (19)	0.0012 (18)	0.0028 (18)
B11	0.013 (2)	0.015 (2)	0.011 (2)	−0.0015 (18)	−0.0022 (18)	−0.0028 (18)
B3	0.009 (2)	0.012 (2)	0.011 (2)	0.0011 (18)	0.0007 (18)	0.0003 (18)
C2	0.017 (2)	0.049 (4)	0.029 (3)	−0.007 (2)	−0.005 (2)	−0.012 (2)
B8	0.011 (2)	0.011 (2)	0.013 (2)	−0.0001 (18)	−0.0029 (18)	0.0032 (18)
C3	0.054 (4)	0.026 (3)	0.028 (3)	0.001 (2)	−0.028 (2)	0.004 (2)
B12	0.013 (2)	0.014 (2)	0.009 (2)	−0.0008 (18)	−0.0004 (19)	0.0007 (18)
O2	0.049 (2)	0.041 (2)	0.0248 (19)	−0.0089 (19)	−0.0077 (16)	0.0012 (17)

Geometric parameters (Å, º)

Cl4—Na1i	3.209 (2)	B6—B5	1.787 (6)
Cl5—Na1ii	3.050 (2)	B6—B11	1.785 (6)
Cl6—Na1ii	3.031 (2)	B10—B5	1.777 (6)
Cl7—Na1	3.179 (2)	B10—B9	1.774 (6)
Cl9—Na1i	2.975 (2)	B10—B11	1.770 (6)
Cl10—Na1ii	3.051 (2)	B10—B12	1.760 (6)
Cl12—Na1	2.870 (2)	B7—B2	1.802 (6)
S1—O1	1.428 (3)	B7—B11	1.782 (6)
S1—O2	1.412 (4)	B7—B3	1.792 (6)
Na1—O1	2.428 (4)	B7—B8	1.764 (6)
Cl2—B2	1.785 (5)	B7—B12	1.769 (6)
Cl3—B3	1.797 (4)	B2—B11	1.791 (6)
Cl4—B4	1.800 (5)	B2—B3	1.794 (7)
Cl5—B5	1.800 (5)	C1—H1A	0.9600
Cl6—B6	1.801 (4)	C1—H1B	0.9600
Cl7—B7	1.792 (5)	C1—H1C	0.9600
Cl8—B8	1.783 (4)	B5—B4	1.794 (6)
Cl9—B9	1.803 (4)	B5—B9	1.779 (6)
Cl10—B10	1.800 (5)	B4—B9	1.792 (6)
Cl11—B11	1.779 (5)	B4—B3	1.794 (6)
Cl12—B12	1.796 (5)	B4—B8	1.791 (6)
N1—B1	1.600 (5)	B9—B8	1.779 (6)
N1—C1	1.510 (5)	B9—B12	1.760 (6)
N1—C2	1.503 (5)	B11—B12	1.792 (7)
N1—C3	1.503 (6)	B3—B8	1.785 (6)
B1—B6	1.803 (6)	C2—H2A	0.9600
B1—B2	1.820 (6)	C2—H2B	0.9600
B1—B5	1.844 (7)	C2—H2C	0.9600
B1—B4	1.813 (6)	B8—B12	1.785 (6)
B1—B3	1.813 (6)	C3—H3A	0.9600
B6—B10	1.794 (6)	C3—H3B	0.9600
B6—B2	1.795 (6)	C3—H3C	0.9600
B6—Cl6—Na1ii	102.94 (15)	H1A—C1—H1B	109.5
B5—Cl5—Na1ii	101.48 (16)	H1A—C1—H1C	109.5
B4—Cl4—Na1i	112.56 (16)	H1B—C1—H1C	109.5
B10—Cl10—Na1ii	101.13 (15)	Cl5—B5—B1	127.0 (3)
B12—Cl12—Na1	116.54 (15)	B6—B5—Cl5	123.4 (3)
B9—Cl9—Na1i	116.86 (15)	B6—B5—B1	59.5 (2)
B7—Cl7—Na1	109.68 (16)	B6—B5—B4	107.0 (3)
O1—S1—O2	116.8 (2)	B10—B5—Cl5	116.9 (3)
Cl6iii—Na1—Cl5iii	74.39 (5)	B10—B5—B1	108.3 (3)
Cl6iii—Na1—Cl4iv	124.79 (7)	B10—B5—B6	60.4 (2)
Cl6iii—Na1—Cl10iii	71.26 (5)	B10—B5—B4	107.8 (3)
Cl6iii—Na1—Cl7	68.74 (4)	B10—B5—B9	59.8 (2)
Cl5iii—Na1—Cl4iv	135.81 (7)	B4—B5—Cl5	123.9 (3)
Cl5iii—Na1—Cl10iii	70.67 (5)	B4—B5—B1	59.8 (2)
Cl5iii—Na1—Cl7	82.00 (5)	B9—B5—Cl5	117.2 (3)
Cl10iii—Na1—Cl4iv	78.81 (5)	B9—B5—B1	108.4 (3)
Cl10iii—Na1—Cl7	136.21 (6)	B9—B5—B6	108.0 (3)
Cl12—Na1—Cl6iii	141.23 (7)	B9—B5—B4	60.2 (3)
Cl12—Na1—Cl5iii	102.65 (6)	Cl4—B4—B1	124.1 (3)
Cl12—Na1—Cl4iv	84.87 (5)	B5—B4—Cl4	121.2 (3)
Cl12—Na1—Cl10iii	145.50 (7)	B5—B4—B1	61.5 (3)
Cl12—Na1—Cl9iv	98.84 (6)	B5—B4—B3	108.5 (3)
Cl12—Na1—Cl7	72.55 (5)	B9—B4—Cl4	118.1 (3)
Cl9iv—Na1—Cl6iii	72.98 (5)	B9—B4—B1	109.1 (3)
Cl9iv—Na1—Cl5iii	146.78 (7)	B9—B4—B5	59.5 (3)
Cl9iv—Na1—Cl4iv	70.81 (5)	B9—B4—B3	107.4 (3)
Cl9iv—Na1—Cl10iii	104.04 (6)	B3—B4—Cl4	124.3 (3)
Cl9iv—Na1—Cl7	80.65 (5)	B3—B4—B1	60.3 (2)
Cl7—Na1—Cl4iv	140.24 (6)	B8—B4—Cl4	119.8 (3)
O1—Na1—Cl6iii	139.66 (10)	B8—B4—B1	108.8 (3)
O1—Na1—Cl5iii	76.35 (9)	B8—B4—B5	107.5 (3)
O1—Na1—Cl4iv	64.50 (9)	B8—B4—B9	59.5 (2)
O1—Na1—Cl10iii	73.23 (9)	B8—B4—B3	59.8 (2)
O1—Na1—Cl12	72.33 (9)	B10—B9—Cl9	121.6 (3)
O1—Na1—Cl9iv	134.94 (10)	B10—B9—B5	60.0 (3)
O1—Na1—Cl7	133.02 (10)	B10—B9—B4	108.0 (3)
S1—O1—Na1	147.0 (2)	B10—B9—B8	108.1 (3)
C1—N1—B1	112.8 (3)	B5—B9—Cl9	121.0 (3)
C2—N1—B1	111.8 (3)	B5—B9—B4	60.3 (3)
C2—N1—C1	105.9 (3)	B5—B9—B8	108.6 (3)
C2—N1—C3	106.9 (4)	B4—B9—Cl9	121.6 (3)
C3—N1—B1	113.3 (3)	B8—B9—Cl9	121.8 (3)
C3—N1—C1	105.6 (4)	B8—B9—B4	60.2 (2)
N1—B1—B6	122.5 (3)	B12—B9—Cl9	121.4 (3)
N1—B1—B2	122.8 (3)	B12—B9—B10	59.7 (2)
N1—B1—B5	123.0 (3)	B12—B9—B5	108.5 (3)
N1—B1—B4	123.3 (3)	B12—B9—B4	108.7 (3)
N1—B1—B3	123.5 (3)	B12—B9—B8	60.6 (2)
B6—B1—B2	59.4 (2)	Cl11—B11—B6	122.4 (3)
B6—B1—B5	58.7 (2)	Cl11—B11—B7	121.3 (3)
B6—B1—B4	105.5 (3)	Cl11—B11—B2	120.9 (3)
B6—B1—B3	105.9 (3)	Cl11—B11—B12	121.7 (3)
B2—B1—B5	105.7 (3)	B6—B11—B2	60.3 (2)
B4—B1—B2	106.2 (3)	B6—B11—B12	107.7 (3)
B4—B1—B5	58.7 (2)	B10—B11—Cl11	122.4 (3)
B3—B1—B2	59.2 (2)	B10—B11—B6	60.6 (2)
B3—B1—B5	105.5 (3)	B10—B11—B7	107.0 (3)
B3—B1—B4	59.3 (2)	B10—B11—B2	108.9 (3)
Cl6—B6—B1	123.8 (3)	B10—B11—B12	59.2 (2)
B10—B6—Cl6	117.5 (3)	B7—B11—B6	108.0 (3)
B10—B6—B1	109.4 (3)	B7—B11—B2	60.6 (3)
B10—B6—B2	107.7 (3)	B7—B11—B12	59.3 (3)
B2—B6—Cl6	124.9 (3)	B2—B11—B12	108.4 (3)
B2—B6—B1	60.8 (2)	Cl3—B3—B1	126.1 (3)
B5—B6—Cl6	119.9 (3)	B7—B3—Cl3	118.0 (3)
B5—B6—B1	61.8 (3)	B7—B3—B1	108.8 (3)
B5—B6—B10	59.5 (3)	B7—B3—B2	60.3 (2)
B5—B6—B2	109.2 (3)	B7—B3—B4	107.0 (3)
B11—B6—Cl6	120.2 (3)	B2—B3—Cl3	123.5 (3)
B11—B6—B1	109.3 (3)	B2—B3—B1	60.6 (2)
B11—B6—B10	59.3 (2)	B2—B3—B4	108.1 (3)
B11—B6—B2	60.1 (2)	B4—B3—Cl3	123.0 (3)
B11—B6—B5	107.6 (3)	B4—B3—B1	60.4 (2)
B6—B10—Cl10	120.7 (3)	B8—B3—Cl3	116.9 (3)
B5—B10—Cl10	121.2 (3)	B8—B3—B1	109.0 (3)
B5—B10—B6	60.1 (3)	B8—B3—B7	59.1 (3)
B9—B10—Cl10	122.8 (3)	B8—B3—B2	108.1 (3)
B9—B10—B6	107.9 (3)	B8—B3—B4	60.0 (2)
B9—B10—B5	60.1 (3)	N1—C2—H2A	109.5
B11—B10—Cl10	120.6 (3)	N1—C2—H2B	109.5
B11—B10—B6	60.1 (3)	N1—C2—H2C	109.5
B11—B10—B5	108.7 (3)	H2A—C2—H2B	109.5
B11—B10—B9	108.5 (3)	H2A—C2—H2C	109.5
B12—B10—Cl10	121.9 (3)	H2B—C2—H2C	109.5
B12—B10—B6	108.8 (3)	Cl8—B8—B4	121.7 (3)
B12—B10—B5	108.6 (3)	Cl8—B8—B3	120.1 (3)
B12—B10—B9	59.7 (3)	Cl8—B8—B12	122.6 (3)
B12—B10—B11	61.0 (3)	B7—B8—Cl8	121.0 (3)
Cl7—B7—B2	122.0 (3)	B7—B8—B4	108.4 (3)
B11—B7—Cl7	119.8 (3)	B7—B8—B9	107.4 (3)
B11—B7—B2	60.0 (3)	B7—B8—B3	60.6 (2)
B11—B7—B3	108.0 (3)	B7—B8—B12	59.8 (3)
B3—B7—Cl7	123.7 (3)	B9—B8—Cl8	123.1 (3)
B3—B7—B2	59.9 (2)	B9—B8—B4	60.3 (2)
B8—B7—Cl7	121.7 (3)	B9—B8—B3	108.4 (3)
B8—B7—B2	108.6 (3)	B9—B8—B12	59.2 (2)
B8—B7—B11	109.0 (3)	B3—B8—B4	60.2 (2)
B8—B7—B3	60.3 (2)	B12—B8—B4	107.7 (3)
B8—B7—B12	60.7 (3)	B12—B8—B3	108.4 (3)
B12—B7—Cl7	119.4 (3)	N1—C3—H3A	109.5
B12—B7—B2	108.9 (3)	N1—C3—H3B	109.5
B12—B7—B11	60.6 (3)	N1—C3—H3C	109.5
B12—B7—B3	108.8 (3)	H3A—C3—H3B	109.5
Cl2—B2—B1	126.1 (3)	H3A—C3—H3C	109.5
Cl2—B2—B6	124.9 (3)	H3B—C3—H3C	109.5
Cl2—B2—B7	117.8 (3)	B10—B12—Cl12	121.9 (3)
Cl2—B2—B11	118.5 (3)	B10—B12—B7	108.0 (3)
Cl2—B2—B3	122.5 (3)	B10—B12—B9	60.5 (3)
B6—B2—B1	59.8 (2)	B10—B12—B11	59.8 (3)
B6—B2—B7	106.6 (3)	B10—B12—B8	108.4 (3)
B7—B2—B1	108.0 (3)	B7—B12—Cl12	121.5 (3)
B11—B2—B1	108.3 (3)	B7—B12—B11	60.1 (3)
B11—B2—B6	59.7 (2)	B7—B12—B8	59.5 (3)
B11—B2—B7	59.5 (3)	B9—B12—Cl12	121.5 (3)
B11—B2—B3	107.5 (3)	B9—B12—B7	108.0 (3)
B3—B2—B1	60.2 (2)	B9—B12—B11	108.2 (3)
B3—B2—B6	107.1 (3)	B9—B12—B8	60.2 (3)
B3—B2—B7	59.8 (2)	B11—B12—Cl12	122.0 (3)
N1—C1—H1A	109.5	B8—B12—Cl12	121.4 (3)
N1—C1—H1B	109.5	B8—B12—B11	107.6 (3)
N1—C1—H1C	109.5
Cl3—B3—B8—Cl8	2.8 (5)	B2—B1—B3—B4	−137.0 (3)
Cl3—B3—B8—B7	−108.0 (3)	B2—B1—B3—B8	−100.5 (3)
Cl3—B3—B8—B4	114.4 (3)	B2—B6—B10—Cl10	−146.9 (3)
Cl3—B3—B8—B9	152.0 (3)	B2—B6—B10—B5	102.3 (3)
Cl3—B3—B8—B12	−145.3 (3)	B2—B6—B10—B9	64.5 (4)
Cl6—B6—B10—Cl10	0.6 (5)	B2—B6—B10—B11	−37.0 (3)
Cl6—B6—B10—B5	−110.2 (3)	B2—B6—B10—B12	1.2 (4)
Cl6—B6—B10—B9	−148.0 (3)	B2—B6—B5—Cl5	155.9 (3)
Cl6—B6—B10—B11	110.5 (3)	B2—B6—B5—B1	39.3 (3)
Cl6—B6—B10—B12	148.7 (3)	B2—B6—B5—B10	−99.6 (3)
Cl6—B6—B2—Cl2	−2.3 (5)	B2—B6—B5—B4	1.5 (4)
Cl6—B6—B2—B1	112.8 (4)	B2—B6—B5—B9	−61.9 (4)
Cl6—B6—B2—B7	−145.7 (3)	B2—B6—B11—Cl11	−109.7 (4)
Cl6—B6—B2—B11	−107.8 (4)	B2—B6—B11—B10	138.6 (3)
Cl6—B6—B2—B3	151.6 (3)	B2—B6—B11—B7	38.8 (3)
Cl6—B6—B5—Cl5	1.8 (5)	B2—B6—B11—B12	101.4 (3)
Cl6—B6—B5—B1	−114.9 (3)	B2—B7—B11—Cl11	110.3 (4)
Cl6—B6—B5—B10	106.2 (3)	B2—B7—B11—B6	−38.6 (3)
Cl6—B6—B5—B4	−152.6 (3)	B2—B7—B11—B10	−102.5 (3)
Cl6—B6—B5—B9	143.9 (3)	B2—B7—B11—B12	−139.0 (3)
Cl6—B6—B11—Cl11	5.7 (5)	B2—B7—B3—Cl3	−114.6 (3)
Cl6—B6—B11—B10	−106.0 (3)	B2—B7—B3—B1	37.8 (3)
Cl6—B6—B11—B7	154.2 (3)	B2—B7—B3—B4	101.6 (3)
Cl6—B6—B11—B2	115.4 (3)	B2—B7—B3—B8	139.2 (3)
Cl6—B6—B11—B12	−143.1 (3)	B2—B7—B8—Cl8	−146.1 (3)
Cl5—B5—B4—Cl4	−2.0 (5)	B2—B7—B8—B4	1.5 (4)
Cl5—B5—B4—B1	−116.6 (4)	B2—B7—B8—B9	65.1 (4)
Cl5—B5—B4—B9	104.5 (4)	B2—B7—B8—B3	−36.6 (3)
Cl5—B5—B4—B3	−155.8 (3)	B2—B7—B8—B12	101.7 (3)
Cl5—B5—B4—B8	141.1 (3)	B2—B7—B12—Cl12	148.3 (3)
Cl5—B5—B9—Cl9	−4.2 (5)	B2—B7—B12—B10	−0.1 (4)
Cl5—B5—B9—B10	106.8 (3)	B2—B7—B12—B9	−64.1 (4)
Cl5—B5—B9—B4	−115.4 (3)	B2—B7—B12—B11	36.9 (3)
Cl5—B5—B9—B8	−152.6 (3)	B2—B7—B12—B8	−101.3 (3)
Cl5—B5—B9—B12	143.1 (3)	B2—B11—B12—Cl12	−147.6 (3)
Cl8—B8—B12—Cl12	1.0 (5)	B2—B11—B12—B10	101.5 (3)
Cl8—B8—B12—B10	149.9 (3)	B2—B11—B12—B7	−37.0 (3)
Cl8—B8—B12—B7	−109.5 (4)	B2—B11—B12—B9	63.7 (4)
Cl8—B8—B12—B9	111.9 (4)	B2—B11—B12—B8	0.1 (4)
Cl8—B8—B12—B11	−146.9 (3)	B2—B3—B8—Cl8	147.5 (3)
Cl2—B2—B11—Cl11	−3.7 (5)	B2—B3—B8—B7	36.7 (3)
Cl2—B2—B11—B6	−115.9 (3)	B2—B3—B8—B4	−100.9 (3)
Cl2—B2—B11—B10	−153.4 (3)	B2—B3—B8—B9	−63.3 (4)
Cl2—B2—B11—B7	107.3 (3)	B2—B3—B8—B12	−0.6 (4)
Cl2—B2—B11—B12	143.8 (3)	C1—N1—B1—B6	−167.5 (4)
Cl2—B2—B3—Cl3	0.1 (5)	C1—N1—B1—B2	−95.3 (4)
Cl2—B2—B3—B1	116.1 (4)	C1—N1—B1—B5	121.3 (4)
Cl2—B2—B3—B7	−105.7 (4)	C1—N1—B1—B4	49.6 (5)
Cl2—B2—B3—B4	154.7 (3)	C1—N1—B1—B3	−23.1 (5)
Cl2—B2—B3—B8	−141.8 (3)	B5—B1—B6—Cl6	108.7 (4)
Cl4—B4—B9—Cl9	1.4 (5)	B5—B1—B6—B10	−36.9 (3)
Cl4—B4—B9—B10	149.3 (3)	B5—B1—B6—B2	−136.8 (3)
Cl4—B4—B9—B5	111.5 (3)	B5—B1—B6—B11	−100.1 (3)
Cl4—B4—B9—B8	−109.8 (3)	B5—B1—B2—Cl2	150.7 (3)
Cl4—B4—B9—B12	−147.4 (3)	B5—B1—B2—B6	37.4 (3)
Cl4—B4—B3—Cl3	2.9 (5)	B5—B1—B2—B7	−61.7 (4)
Cl4—B4—B3—B1	−113.1 (4)	B5—B1—B2—B11	1.2 (4)
Cl4—B4—B3—B7	144.6 (3)	B5—B1—B2—B3	−99.0 (3)
Cl4—B4—B3—B2	−151.8 (3)	B5—B1—B4—Cl4	−110.1 (4)
Cl4—B4—B3—B8	107.3 (4)	B5—B1—B4—B9	36.8 (3)
Cl4—B4—B8—Cl8	−5.6 (5)	B5—B1—B4—B3	136.5 (3)
Cl4—B4—B8—B7	−153.0 (3)	B5—B1—B4—B8	100.2 (3)
Cl4—B4—B8—B9	107.1 (3)	B5—B1—B3—Cl3	−148.8 (3)
Cl4—B4—B8—B3	−114.7 (4)	B5—B1—B3—B7	61.6 (4)
Cl4—B4—B8—B12	143.8 (3)	B5—B1—B3—B2	99.3 (3)
Cl10—B10—B5—Cl5	5.2 (5)	B5—B1—B3—B4	−37.7 (3)
Cl10—B10—B5—B1	−146.4 (3)	B5—B1—B3—B8	−1.2 (4)
Cl10—B10—B5—B6	−109.8 (4)	B5—B6—B10—Cl10	110.7 (3)
Cl10—B10—B5—B4	150.3 (3)	B5—B6—B10—B9	−37.8 (3)
Cl10—B10—B5—B9	112.5 (4)	B5—B6—B10—B11	−139.3 (3)
Cl10—B10—B9—Cl9	0.1 (5)	B5—B6—B10—B12	−101.1 (3)
Cl10—B10—B9—B5	−109.9 (4)	B5—B6—B2—Cl2	−154.9 (3)
Cl10—B10—B9—B4	−147.8 (3)	B5—B6—B2—B1	−39.7 (3)
Cl10—B10—B9—B8	148.5 (3)	B5—B6—B2—B7	61.8 (4)
Cl10—B10—B9—B12	110.5 (4)	B5—B6—B2—B11	99.7 (3)
Cl10—B10—B11—Cl11	−1.7 (5)	B5—B6—B2—B3	−1.0 (4)
Cl10—B10—B11—B6	110.1 (3)	B5—B6—B11—Cl11	147.8 (3)
Cl10—B10—B11—B7	−148.5 (3)	B5—B6—B11—B10	36.1 (3)
Cl10—B10—B11—B2	147.5 (3)	B5—B6—B11—B7	−63.7 (4)
Cl10—B10—B11—B12	−111.9 (4)	B5—B6—B11—B2	−102.5 (3)
Cl10—B10—B12—Cl12	−1.3 (5)	B5—B6—B11—B12	−1.1 (4)
Cl10—B10—B12—B7	147.0 (3)	B5—B10—B9—Cl9	110.0 (4)
Cl10—B10—B12—B9	−112.1 (4)	B5—B10—B9—B4	−37.9 (3)
Cl10—B10—B12—B11	109.9 (4)	B5—B10—B9—B8	−101.6 (3)
Cl10—B10—B12—B8	−150.0 (3)	B5—B10—B9—B12	−139.5 (3)
Cl11—B11—B12—Cl12	−0.5 (5)	B5—B10—B11—Cl11	−148.4 (3)
Cl11—B11—B12—B10	−111.4 (4)	B5—B10—B11—B6	−36.6 (3)
Cl11—B11—B12—B7	110.1 (4)	B5—B10—B11—B7	64.8 (4)
Cl11—B11—B12—B9	−149.2 (3)	B5—B10—B11—B2	0.8 (4)
Cl11—B11—B12—B8	147.2 (3)	B5—B10—B11—B12	101.3 (3)
Cl9—B9—B8—Cl8	−0.4 (5)	B5—B10—B12—Cl12	147.3 (3)
Cl9—B9—B8—B7	147.6 (3)	B5—B10—B12—B7	−64.5 (4)
Cl9—B9—B8—B4	−110.8 (4)	B5—B10—B12—B9	36.4 (3)
Cl9—B9—B8—B3	−148.4 (3)	B5—B10—B12—B11	−101.6 (3)
Cl9—B9—B8—B12	110.7 (4)	B5—B10—B12—B8	−1.5 (4)
Cl9—B9—B12—Cl12	−0.7 (5)	B5—B4—B9—Cl9	−110.2 (4)
Cl9—B9—B12—B10	110.8 (4)	B5—B4—B9—B10	37.8 (3)
Cl9—B9—B12—B7	−148.2 (3)	B5—B4—B9—B8	138.7 (3)
Cl9—B9—B12—B11	148.2 (3)	B5—B4—B9—B12	101.1 (3)
Cl9—B9—B12—B8	−111.4 (4)	B5—B4—B3—Cl3	155.7 (3)
Cl7—B7—B2—Cl2	0.1 (5)	B5—B4—B3—B1	39.7 (3)
Cl7—B7—B2—B1	−150.6 (3)	B5—B4—B3—B7	−62.7 (4)
Cl7—B7—B2—B6	146.4 (3)	B5—B4—B3—B2	1.0 (4)
Cl7—B7—B2—B11	108.4 (4)	B5—B4—B3—B8	−99.9 (3)
Cl7—B7—B2—B3	−113.1 (4)	B5—B4—B8—Cl8	−149.3 (3)
Cl7—B7—B11—Cl11	−1.7 (5)	B5—B4—B8—B7	63.3 (4)
Cl7—B7—B11—B6	−150.6 (3)	B5—B4—B8—B9	−36.6 (3)
Cl7—B7—B11—B10	145.5 (3)	B5—B4—B8—B3	101.6 (3)
Cl7—B7—B11—B2	−112.0 (4)	B5—B4—B8—B12	0.1 (4)
Cl7—B7—B11—B12	109.0 (4)	B5—B9—B8—Cl8	147.7 (3)
Cl7—B7—B3—Cl3	−4.1 (5)	B5—B9—B8—B7	−64.4 (4)
Cl7—B7—B3—B1	148.3 (3)	B5—B9—B8—B4	37.2 (3)
Cl7—B7—B3—B2	110.5 (4)	B5—B9—B8—B3	−0.3 (4)
Cl7—B7—B3—B4	−148.0 (3)	B5—B9—B8—B12	−101.2 (3)
Cl7—B7—B3—B8	−110.3 (4)	B5—B9—B12—Cl12	−147.8 (3)
Cl7—B7—B8—Cl8	3.9 (5)	B5—B9—B12—B10	−36.4 (3)
Cl7—B7—B8—B4	151.5 (3)	B5—B9—B12—B7	64.6 (4)
Cl7—B7—B8—B9	−144.9 (3)	B5—B9—B12—B11	1.1 (4)
Cl7—B7—B8—B3	113.4 (4)	B5—B9—B12—B8	101.4 (3)
Cl7—B7—B8—B12	−108.3 (4)	B4—B1—B6—Cl6	145.6 (3)
Cl7—B7—B12—Cl12	1.7 (5)	B4—B1—B6—B10	0.0 (4)
Cl7—B7—B12—B10	−146.7 (3)	B4—B1—B6—B2	−99.9 (3)
Cl7—B7—B12—B9	149.3 (3)	B4—B1—B6—B5	36.9 (3)
Cl7—B7—B12—B11	−109.7 (4)	B4—B1—B6—B11	−63.2 (4)
Cl7—B7—B12—B8	112.1 (3)	B4—B1—B2—Cl2	−148.0 (3)
Na1ii—Cl6—B6—B1	−106.3 (3)	B4—B1—B2—B6	98.8 (3)
Na1ii—Cl6—B6—B10	36.8 (3)	B4—B1—B2—B7	−0.4 (4)
Na1ii—Cl6—B6—B2	178.1 (3)	B4—B1—B2—B11	62.5 (4)
Na1ii—Cl6—B6—B5	−32.1 (3)	B4—B1—B2—B3	−37.6 (3)
Na1ii—Cl6—B6—B11	105.4 (3)	B4—B1—B5—Cl5	111.7 (4)
Na1ii—Cl5—B5—B1	104.0 (3)	B4—B1—B5—B6	−137.4 (3)
Na1ii—Cl5—B5—B6	29.3 (4)	B4—B1—B5—B10	−100.4 (3)
Na1ii—Cl5—B5—B10	−41.6 (3)	B4—B1—B5—B9	−37.0 (3)
Na1ii—Cl5—B5—B4	179.4 (3)	B4—B1—B3—Cl3	−111.1 (4)
Na1ii—Cl5—B5—B9	−109.7 (3)	B4—B1—B3—B7	99.3 (3)
Na1i—Cl4—B4—B1	143.7 (3)	B4—B1—B3—B2	137.0 (3)
Na1i—Cl4—B4—B5	69.0 (3)	B4—B1—B3—B8	36.5 (3)
Na1i—Cl4—B4—B9	−0.5 (3)	B4—B5—B9—Cl9	111.2 (4)
Na1i—Cl4—B4—B3	−141.4 (3)	B4—B5—B9—B10	−137.7 (3)
Na1i—Cl4—B4—B8	−69.6 (3)	B4—B5—B9—B8	−37.2 (3)
Na1ii—Cl10—B10—B6	−37.0 (3)	B4—B5—B9—B12	−101.5 (3)
Na1ii—Cl10—B10—B5	34.4 (3)	B4—B9—B8—Cl8	110.4 (4)
Na1ii—Cl10—B10—B9	106.8 (3)	B4—B9—B8—B7	−101.6 (3)
Na1ii—Cl10—B10—B11	−108.1 (3)	B4—B9—B8—B3	−37.6 (3)
Na1ii—Cl10—B10—B12	179.1 (3)	B4—B9—B8—B12	−138.4 (3)
Na1—Cl12—B12—B10	147.4 (3)	B4—B9—B12—Cl12	148.2 (3)
Na1—Cl12—B12—B7	3.4 (4)	B4—B9—B12—B10	−100.4 (3)
Na1—Cl12—B12—B9	−139.9 (3)	B4—B9—B12—B7	0.6 (4)
Na1—Cl12—B12—B11	75.5 (3)	B4—B9—B12—B11	−62.9 (4)
Na1—Cl12—B12—B8	−67.8 (3)	B4—B9—B12—B8	37.4 (3)
Na1i—Cl9—B9—B10	−145.2 (3)	B4—B3—B8—Cl8	−111.5 (4)
Na1i—Cl9—B9—B5	−73.5 (3)	B4—B3—B8—B7	137.6 (3)
Na1i—Cl9—B9—B4	−1.5 (4)	B4—B3—B8—B9	37.6 (3)
Na1i—Cl9—B9—B8	70.7 (3)	B4—B3—B8—B12	100.3 (3)
Na1i—Cl9—B9—B12	143.3 (3)	B4—B8—B12—Cl12	−148.1 (3)
Na1—Cl7—B7—B2	−147.3 (3)	B4—B8—B12—B10	0.8 (4)
Na1—Cl7—B7—B11	−76.1 (3)	B4—B8—B12—B7	101.4 (3)
Na1—Cl7—B7—B3	139.9 (3)	B4—B8—B12—B9	−37.2 (3)
Na1—Cl7—B7—B8	66.7 (3)	B4—B8—B12—B11	64.0 (4)
Na1—Cl7—B7—B12	−5.1 (3)	B9—B10—B5—Cl5	−107.3 (3)
N1—B1—B6—Cl6	−2.8 (6)	B9—B10—B5—B1	101.1 (3)
N1—B1—B6—B10	−148.5 (3)	B9—B10—B5—B6	137.7 (3)
N1—B1—B6—B2	111.7 (4)	B9—B10—B5—B4	37.8 (3)
N1—B1—B6—B5	−111.5 (4)	B9—B10—B11—Cl11	147.8 (3)
N1—B1—B6—B11	148.3 (4)	B9—B10—B11—B6	−100.4 (3)
N1—B1—B2—Cl2	2.0 (5)	B9—B10—B11—B7	1.0 (4)
N1—B1—B2—B6	−111.2 (4)	B9—B10—B11—B2	−63.0 (4)
N1—B1—B2—B7	149.6 (3)	B9—B10—B11—B12	37.5 (3)
N1—B1—B2—B11	−147.5 (3)	B9—B10—B12—Cl12	110.8 (4)
N1—B1—B2—B3	112.4 (4)	B9—B10—B12—B7	−100.9 (3)
N1—B1—B5—Cl5	0.0 (6)	B9—B10—B12—B11	−138.0 (3)
N1—B1—B5—B6	110.8 (4)	B9—B10—B12—B8	−37.9 (3)
N1—B1—B5—B10	147.9 (3)	B9—B5—B4—Cl4	−106.4 (4)
N1—B1—B5—B4	−111.8 (4)	B9—B5—B4—B1	138.9 (3)
N1—B1—B5—B9	−148.7 (3)	B9—B5—B4—B3	99.8 (3)
N1—B1—B4—Cl4	1.1 (5)	B9—B5—B4—B8	36.6 (3)
N1—B1—B4—B5	111.3 (4)	B9—B4—B3—Cl3	−141.4 (3)
N1—B1—B4—B9	148.1 (4)	B9—B4—B3—B1	102.5 (3)
N1—B1—B4—B3	−112.3 (4)	B9—B4—B3—B7	0.2 (4)
N1—B1—B4—B8	−148.6 (4)	B9—B4—B3—B2	63.8 (4)
N1—B1—B3—Cl3	0.7 (6)	B9—B4—B3—B8	−37.0 (3)
N1—B1—B3—B7	−148.9 (4)	B9—B4—B8—Cl8	−112.8 (4)
N1—B1—B3—B2	−111.2 (4)	B9—B4—B8—B7	99.9 (3)
N1—B1—B3—B4	111.8 (4)	B9—B4—B8—B3	138.2 (3)
N1—B1—B3—B8	148.3 (4)	B9—B4—B8—B12	36.7 (3)
B1—B6—B10—Cl10	148.6 (3)	B9—B8—B12—Cl12	−110.9 (4)
B1—B6—B10—B5	37.9 (3)	B9—B8—B12—B10	38.0 (3)
B1—B6—B10—B9	0.1 (4)	B9—B8—B12—B7	138.6 (3)
B1—B6—B10—B11	−101.4 (3)	B9—B8—B12—B11	101.2 (3)
B1—B6—B10—B12	−63.2 (4)	B11—B6—B10—Cl10	−109.9 (4)
B1—B6—B2—Cl2	−115.1 (4)	B11—B6—B10—B5	139.3 (3)
B1—B6—B2—B7	101.5 (3)	B11—B6—B10—B9	101.5 (3)
B1—B6—B2—B11	139.4 (3)	B11—B6—B10—B12	38.2 (3)
B1—B6—B2—B3	38.8 (3)	B11—B6—B2—Cl2	105.4 (4)
B1—B6—B5—Cl5	116.7 (4)	B11—B6—B2—B1	−139.4 (3)
B1—B6—B5—B10	−138.9 (3)	B11—B6—B2—B7	−37.9 (3)
B1—B6—B5—B4	−37.7 (3)	B11—B6—B2—B3	−100.7 (3)
B1—B6—B5—B9	−101.2 (3)	B11—B6—B5—Cl5	−140.4 (3)
B1—B6—B11—Cl11	−146.7 (3)	B11—B6—B5—B1	102.9 (3)
B1—B6—B11—B10	101.6 (3)	B11—B6—B5—B10	−36.0 (3)
B1—B6—B11—B7	1.8 (4)	B11—B6—B5—B4	65.2 (4)
B1—B6—B11—B2	−37.0 (3)	B11—B6—B5—B9	1.7 (4)
B1—B6—B11—B12	64.5 (4)	B11—B10—B5—Cl5	151.6 (3)
B1—B2—B11—Cl11	148.5 (3)	B11—B10—B5—B1	0.0 (4)
B1—B2—B11—B6	36.3 (3)	B11—B10—B5—B6	36.6 (3)
B1—B2—B11—B10	−1.3 (4)	B11—B10—B5—B4	−63.2 (4)
B1—B2—B11—B7	−100.6 (3)	B11—B10—B5—B9	−101.1 (3)
B1—B2—B11—B12	−64.1 (4)	B11—B10—B9—Cl9	−148.5 (3)
B1—B2—B3—Cl3	−116.0 (4)	B11—B10—B9—B5	101.4 (3)
B1—B2—B3—B7	138.2 (3)	B11—B10—B9—B4	63.5 (4)
B1—B2—B3—B4	38.6 (3)	B11—B10—B9—B8	−0.1 (4)
B1—B2—B3—B8	102.1 (3)	B11—B10—B9—B12	−38.1 (3)
B1—B5—B4—Cl4	114.6 (4)	B11—B10—B12—Cl12	−111.1 (4)
B1—B5—B4—B9	−138.9 (3)	B11—B10—B12—B7	37.1 (3)
B1—B5—B4—B3	−39.1 (3)	B11—B10—B12—B9	138.0 (3)
B1—B5—B4—B8	−102.3 (3)	B11—B10—B12—B8	100.1 (3)
B1—B5—B9—Cl9	148.0 (3)	B11—B7—B2—Cl2	−108.3 (3)
B1—B5—B9—B10	−101.0 (3)	B11—B7—B2—B1	101.0 (3)
B1—B5—B9—B4	36.8 (3)	B11—B7—B2—B6	38.0 (3)
B1—B5—B9—B8	−0.4 (4)	B11—B7—B2—B3	138.4 (3)
B1—B5—B9—B12	−64.7 (4)	B11—B7—B3—Cl3	−151.7 (3)
B1—B4—B9—Cl9	−147.8 (3)	B11—B7—B3—B1	0.7 (4)
B1—B4—B9—B10	0.1 (4)	B11—B7—B3—B2	−37.1 (3)
B1—B4—B9—B5	−37.7 (3)	B11—B7—B3—B4	64.4 (4)
B1—B4—B9—B8	101.0 (3)	B11—B7—B3—B8	102.1 (3)
B1—B4—B9—B12	63.4 (4)	B11—B7—B8—Cl8	150.1 (3)
B1—B4—B3—Cl3	116.1 (4)	B11—B7—B8—B4	−62.3 (4)
B1—B4—B3—B7	−102.3 (3)	B11—B7—B8—B9	1.4 (4)
B1—B4—B3—B2	−38.7 (3)	B11—B7—B8—B3	−100.3 (3)
B1—B4—B3—B8	−139.5 (3)	B11—B7—B8—B12	37.9 (3)
B1—B4—B8—Cl8	145.6 (3)	B11—B7—B12—Cl12	111.4 (4)
B1—B4—B8—B7	−1.7 (4)	B11—B7—B12—B10	−37.0 (3)
B1—B4—B8—B9	−101.6 (3)	B11—B7—B12—B9	−101.0 (3)
B1—B4—B8—B3	36.6 (3)	B11—B7—B12—B8	−138.2 (3)
B1—B4—B8—B12	−64.9 (4)	B11—B2—B3—Cl3	142.5 (3)
B1—B3—B8—Cl8	−148.2 (3)	B11—B2—B3—B1	−101.4 (3)
B1—B3—B8—B7	101.0 (3)	B11—B2—B3—B7	36.8 (3)
B1—B3—B8—B4	−36.6 (3)	B11—B2—B3—B4	−62.8 (4)
B1—B3—B8—B9	1.0 (4)	B11—B2—B3—B8	0.7 (4)
B1—B3—B8—B12	63.7 (4)	B3—B1—B6—Cl6	−152.5 (3)
B6—B1—B2—Cl2	113.2 (4)	B3—B1—B6—B10	61.9 (4)
B6—B1—B2—B7	−99.1 (3)	B3—B1—B6—B2	−38.0 (3)
B6—B1—B2—B11	−36.2 (3)	B3—B1—B6—B5	98.8 (3)
B6—B1—B2—B3	−136.4 (3)	B3—B1—B6—B11	−1.4 (4)
B6—B1—B5—Cl5	−110.9 (4)	B3—B1—B2—Cl2	−110.4 (4)
B6—B1—B5—B10	37.0 (3)	B3—B1—B2—B6	136.4 (3)
B6—B1—B5—B4	137.4 (3)	B3—B1—B2—B7	37.3 (3)
B6—B1—B5—B9	100.4 (3)	B3—B1—B2—B11	100.2 (3)
B6—B1—B4—Cl4	−147.0 (3)	B3—B1—B5—Cl5	149.7 (3)
B6—B1—B4—B5	−36.9 (3)	B3—B1—B5—B6	−99.5 (3)
B6—B1—B4—B9	−0.1 (4)	B3—B1—B5—B10	−62.4 (4)
B6—B1—B4—B3	99.6 (3)	B3—B1—B5—B4	37.9 (3)
B6—B1—B4—B8	63.3 (4)	B3—B1—B5—B9	1.0 (4)
B6—B1—B3—Cl3	150.0 (3)	B3—B1—B4—Cl4	113.4 (4)
B6—B1—B3—B7	0.4 (4)	B3—B1—B4—B5	−136.5 (3)
B6—B1—B3—B2	38.1 (3)	B3—B1—B4—B9	−99.6 (3)
B6—B1—B3—B4	−98.9 (3)	B3—B1—B4—B8	−36.3 (3)
B6—B1—B3—B8	−62.4 (4)	B3—B7—B2—Cl2	113.2 (3)
B6—B10—B5—Cl5	115.0 (3)	B3—B7—B2—B1	−37.4 (3)
B6—B10—B5—B1	−36.6 (3)	B3—B7—B2—B6	−100.4 (3)
B6—B10—B5—B4	−99.9 (3)	B3—B7—B2—B11	−138.4 (3)
B6—B10—B5—B9	−137.7 (3)	B3—B7—B11—Cl11	147.4 (3)
B6—B10—B9—Cl9	147.8 (3)	B3—B7—B11—B6	−1.5 (4)
B6—B10—B9—B5	37.8 (3)	B3—B7—B11—B10	−65.4 (4)
B6—B10—B9—B4	−0.1 (4)	B3—B7—B11—B2	37.1 (3)
B6—B10—B9—B8	−63.8 (4)	B3—B7—B11—B12	−101.9 (3)
B6—B10—B9—B12	−101.7 (3)	B3—B7—B8—Cl8	−109.5 (3)
B6—B10—B11—Cl11	−111.8 (4)	B3—B7—B8—B4	38.1 (3)
B6—B10—B11—B7	101.4 (3)	B3—B7—B8—B9	101.7 (3)
B6—B10—B11—B2	37.4 (3)	B3—B7—B8—B12	138.3 (3)
B6—B10—B11—B12	138.0 (3)	B3—B7—B12—Cl12	−148.1 (3)
B6—B10—B12—Cl12	−149.0 (3)	B3—B7—B12—B10	63.6 (4)
B6—B10—B12—B7	−0.7 (4)	B3—B7—B12—B9	−0.5 (4)
B6—B10—B12—B9	100.2 (3)	B3—B7—B12—B11	100.5 (3)
B6—B10—B12—B11	−37.8 (3)	B3—B7—B12—B8	−37.6 (3)
B6—B10—B12—B8	62.3 (4)	B3—B2—B11—Cl11	−147.9 (3)
B6—B2—B11—Cl11	112.2 (4)	B3—B2—B11—B6	99.9 (3)
B6—B2—B11—B10	−37.5 (3)	B3—B2—B11—B10	62.4 (4)
B6—B2—B11—B7	−136.9 (3)	B3—B2—B11—B7	−37.0 (3)
B6—B2—B11—B12	−100.4 (3)	B3—B2—B11—B12	−0.5 (4)
B6—B2—B3—Cl3	−154.6 (3)	B3—B4—B9—Cl9	148.3 (3)
B6—B2—B3—B1	−38.6 (3)	B3—B4—B9—B10	−63.8 (4)
B6—B2—B3—B7	99.6 (3)	B3—B4—B9—B5	−101.6 (3)
B6—B2—B3—B4	0.0 (4)	B3—B4—B9—B8	37.1 (3)
B6—B2—B3—B8	63.5 (4)	B3—B4—B9—B12	−0.5 (4)
B6—B5—B4—Cl4	152.2 (3)	B3—B4—B8—Cl8	109.0 (4)
B6—B5—B4—B1	37.6 (3)	B3—B4—B8—B7	−38.3 (3)
B6—B5—B4—B9	−101.3 (3)	B3—B4—B8—B9	−138.2 (3)
B6—B5—B4—B3	−1.5 (4)	B3—B4—B8—B12	−101.5 (3)
B6—B5—B4—B8	−64.7 (4)	B3—B8—B12—Cl12	148.2 (3)
B6—B5—B9—Cl9	−149.1 (3)	B3—B8—B12—B10	−62.8 (4)
B6—B5—B9—B10	−38.0 (3)	B3—B8—B12—B7	37.7 (3)
B6—B5—B9—B4	99.7 (3)	B3—B8—B12—B9	−100.9 (3)
B6—B5—B9—B8	62.6 (4)	B3—B8—B12—B11	0.4 (4)
B6—B5—B9—B12	−1.7 (4)	C2—N1—B1—B6	73.4 (5)
B6—B11—B12—Cl12	148.7 (3)	C2—N1—B1—B2	145.5 (4)
B6—B11—B12—B10	37.8 (3)	C2—N1—B1—B5	2.1 (5)
B6—B11—B12—B7	−100.8 (3)	C2—N1—B1—B4	−69.6 (5)
B6—B11—B12—B9	0.0 (4)	C2—N1—B1—B3	−142.2 (4)
B6—B11—B12—B8	−63.7 (4)	B8—B7—B2—Cl2	150.0 (3)
B10—B6—B2—Cl2	142.1 (3)	B8—B7—B2—B1	−0.7 (4)
B10—B6—B2—B1	−102.8 (3)	B8—B7—B2—B6	−63.7 (4)
B10—B6—B2—B7	−1.3 (4)	B8—B7—B2—B11	−101.7 (3)
B10—B6—B2—B11	36.6 (3)	B8—B7—B2—B3	36.8 (3)
B10—B6—B2—B3	−64.0 (4)	B8—B7—B11—Cl11	−148.7 (3)
B10—B6—B5—Cl5	−104.4 (4)	B8—B7—B11—B6	62.4 (4)
B10—B6—B5—B1	138.9 (3)	B8—B7—B11—B10	−1.5 (4)
B10—B6—B5—B4	101.2 (3)	B8—B7—B11—B2	101.0 (3)
B10—B6—B5—B9	37.7 (3)	B8—B7—B11—B12	−38.0 (3)
B10—B6—B11—Cl11	111.7 (4)	B8—B7—B3—Cl3	106.2 (3)
B10—B6—B11—B7	−99.8 (3)	B8—B7—B3—B1	−101.4 (3)
B10—B6—B11—B2	−138.6 (3)	B8—B7—B3—B2	−139.2 (3)
B10—B6—B11—B12	−37.2 (3)	B8—B7—B3—B4	−37.7 (3)
B10—B5—B4—Cl4	−144.1 (3)	B8—B7—B12—Cl12	−110.4 (4)
B10—B5—B4—B1	101.3 (3)	B8—B7—B12—B10	101.2 (3)
B10—B5—B4—B9	−37.6 (3)	B8—B7—B12—B9	37.2 (3)
B10—B5—B4—B3	62.1 (4)	B8—B7—B12—B11	138.2 (3)
B10—B5—B4—B8	−1.0 (4)	B8—B4—B9—Cl9	111.1 (3)
B10—B5—B9—Cl9	−111.1 (4)	B8—B4—B9—B10	−100.9 (3)
B10—B5—B9—B4	137.7 (3)	B8—B4—B9—B5	−138.7 (3)
B10—B5—B9—B8	100.6 (3)	B8—B4—B9—B12	−37.6 (3)
B10—B5—B9—B12	36.3 (3)	B8—B4—B3—Cl3	−104.4 (4)
B10—B9—B8—Cl8	−148.7 (3)	B8—B4—B3—B1	139.5 (3)
B10—B9—B8—B7	−0.8 (4)	B8—B4—B3—B7	37.2 (3)
B10—B9—B8—B4	100.8 (3)	B8—B4—B3—B2	100.9 (3)
B10—B9—B8—B3	63.3 (4)	B8—B9—B12—Cl12	110.7 (4)
B10—B9—B8—B12	−37.6 (3)	B8—B9—B12—B10	−137.8 (3)
B10—B9—B12—Cl12	−111.4 (4)	B8—B9—B12—B7	−36.8 (3)
B10—B9—B12—B7	101.0 (3)	B8—B9—B12—B11	−100.4 (3)
B10—B9—B12—B11	37.5 (3)	C3—N1—B1—B6	−47.6 (5)
B10—B9—B12—B8	137.8 (3)	C3—N1—B1—B2	24.5 (5)
B10—B11—B12—Cl12	110.9 (4)	C3—N1—B1—B5	−118.9 (4)
B10—B11—B12—B7	−138.5 (3)	C3—N1—B1—B4	169.5 (4)
B10—B11—B12—B9	−37.8 (3)	C3—N1—B1—B3	96.8 (5)
B10—B11—B12—B8	−101.4 (3)	B12—B10—B5—Cl5	−143.6 (3)
B7—B2—B11—Cl11	−110.9 (4)	B12—B10—B5—B1	64.8 (4)
B7—B2—B11—B6	136.9 (3)	B12—B10—B5—B6	101.4 (3)
B7—B2—B11—B10	99.3 (4)	B12—B10—B5—B4	1.6 (4)
B7—B2—B11—B12	36.5 (3)	B12—B10—B5—B9	−36.3 (3)
B7—B2—B3—Cl3	105.7 (3)	B12—B10—B9—Cl9	−110.4 (4)
B7—B2—B3—B1	−138.2 (3)	B12—B10—B9—B5	139.5 (3)
B7—B2—B3—B4	−99.7 (3)	B12—B10—B9—B4	101.6 (3)
B7—B2—B3—B8	−36.1 (3)	B12—B10—B9—B8	38.0 (3)
B7—B11—B12—Cl12	−110.6 (4)	B12—B10—B11—Cl11	110.2 (4)
B7—B11—B12—B10	138.5 (3)	B12—B10—B11—B6	−138.0 (3)
B7—B11—B12—B9	100.8 (3)	B12—B10—B11—B7	−36.6 (3)
B7—B11—B12—B8	37.1 (3)	B12—B10—B11—B2	−100.6 (4)
B7—B3—B8—Cl8	110.9 (3)	B12—B7—B2—Cl2	−145.5 (3)
B7—B3—B8—B4	−137.6 (3)	B12—B7—B2—B1	63.8 (4)
B7—B3—B8—B9	−100.0 (3)	B12—B7—B2—B6	0.8 (4)
B7—B3—B8—B12	−37.3 (3)	B12—B7—B2—B11	−37.2 (3)
B7—B8—B12—Cl12	110.6 (4)	B12—B7—B2—B3	101.3 (3)
B7—B8—B12—B10	−100.5 (3)	B12—B7—B11—Cl11	−110.7 (4)
B7—B8—B12—B9	−138.6 (3)	B12—B7—B11—B6	100.4 (3)
B7—B8—B12—B11	−37.3 (3)	B12—B7—B11—B10	36.5 (3)
B2—B1—B6—Cl6	−114.5 (4)	B12—B7—B11—B2	139.0 (3)
B2—B1—B6—B10	99.9 (3)	B12—B7—B3—Cl3	144.0 (3)
B2—B1—B6—B5	136.8 (3)	B12—B7—B3—B1	−63.6 (4)
B2—B1—B6—B11	36.7 (3)	B12—B7—B3—B2	−101.4 (3)
B2—B1—B5—Cl5	−148.7 (3)	B12—B7—B3—B4	0.2 (4)
B2—B1—B5—B6	−37.8 (3)	B12—B7—B3—B8	37.8 (3)
B2—B1—B5—B10	−0.7 (4)	B12—B7—B8—Cl8	112.2 (4)
B2—B1—B5—B4	99.6 (3)	B12—B7—B8—B4	−100.2 (3)
B2—B1—B5—B9	62.7 (4)	B12—B7—B8—B9	−36.5 (3)
B2—B1—B4—Cl4	151.0 (3)	B12—B7—B8—B3	−138.3 (3)
B2—B1—B4—B5	−98.9 (3)	B12—B9—B8—Cl8	−111.1 (4)
B2—B1—B4—B9	−62.1 (4)	B12—B9—B8—B7	36.8 (3)
B2—B1—B4—B3	37.6 (3)	B12—B9—B8—B4	138.4 (3)
B2—B1—B4—B8	1.3 (4)	B12—B9—B8—B3	100.9 (3)
B2—B1—B3—Cl3	111.8 (4)	O2—S1—O1—Na1	176.9 (3)
B2—B1—B3—B7	−37.7 (3)

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