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Acta Crystallographica Section E: Structure Reports Online logoLink to Acta Crystallographica Section E: Structure Reports Online
. 2014 Oct 8;70(Pt 11):312–315. doi: 10.1107/S1600536814021709

Crystal structure of [(1,2,3,4,11,12-η)-anthracene]tris­(tri­methyl­stann­yl)cobalt(III)

William W Brennessel a,*, John E Ellis b
PMCID: PMC4257331  PMID: 25484731

The first reported structure of a cobalt complex containing an η6-anthracene ligand is presented. The anthracene ligand is nearly flat and coordinates the metal asymmetrically, such that the ring junction carbon atoms are slightly further from the cobalt center than are the other four.

Keywords: crystal structure, cobalt, anthracene, tri­methyl­stannyl ligands, flat-slipped coordination mode, NMR data

Abstract

The asymmetric unit of the title structure, [Co(η6-C14H10){Sn(CH3)3}3], contains two independent mol­ecules. Each anthracene ligand is η6-coordinating to a CoIII cation and is nearly planar [fold angles of 5.4 (3) and 9.7 (3)°], as would be expected for its behaving almost entirely as a donor to a high-oxidation-state metal center. The slight fold in each anthracene ligand gives rise to slightly longer Co—C bond lengths to the ring junction carbon atoms than to the other four. Each CoIII cation is further coordinated by three Sn(CH3)3 ligands, giving each mol­ecule a three-legged piano-stool geometry. In each of the two independent mol­ecules, the trio of SnMe3 ligands are modeled as disordered over two positions, rotated by approximately 30%, such that the C atoms nearly overlap. In one mol­ecule, the disorder ratio refined to 0.9365 (8):0.0635 (8), while that for the other refined to 0.9686 (8):0.0314 (8). The mol­ecules are well separated, and thus no significant inter­molecular inter­actions are observed. The compound is of inter­est as the first structure report of an η6-anthracene cobalt(III) complex.

Chemical context  

Oxidation derivatives of unstable low-valent species often provide indirect support for their formulations. For example, thermally unstable alkyl isocyanide complexes of formally M(−II) that were proposed to be ‘K2[M(CNtBu)4],’ M = Fe (Brennessel et al., 2007), Ru (Corella et al., 1992), were reacted at low temperature in situ with SnPh3Cl to afford isolable and readily characterizable derivatives, trans-M(SnPh3)2(CNtBu)4. Similarly, it was planned to derivatize the formally Co(−I) anion [Co(C10H8)2], C10H8 = naphthalene, which is the analog of the well-characterized and isolable anthracene cobaltate [Co(C14H10)2] (C14H10 = anthracene; Brennessel et al., 2002). To date, the only established instance of [Co(C10H8)2] is as part of the highly specific triple salt [K(18-crown-6)]3[Co(C10H8)(C2H4)2]2[Co(C10H8)2] (Brennes­sel et al., 2006). But before applying this procedure to the naphthalene system, we chose to first apply it to the well-behaved anthracene system to test the feasibility of the deriv­atization. Thus, one equivalent of SnMe3Cl was added in situ to a THF solution of [K(THF)x][Co(C14H10)2] (Brennessel et al., 2002), which produced an intense violet, pentane-soluble species. Rather than being the expected ‘[Co(C14H10)2(SnMe3)]’ formally Co(I) species, however, after further investigation it was determined to be the title compound, [Co(η6-C14H10)(SnMe3)3] (I), based on single-crystal X-ray diffraction.graphic file with name e-70-00312-scheme1.jpg

Similar reactions using SnPh3 and Sn(cyclo­hex­yl)3 produced only intra­ctable mixtures. Filtration of the reaction mixture left a very reactive dark-gray filter cake, which appeared to be from the deposition of Co metal. A tentative balanced equation has been proposed based on the initial evidence (see equation below). No yield was obtained, but if the equation holds, a qu­anti­tative yield would only be 33.3% based on cobalt. Single crystals were grown from a saturated pentane solution in a 243 K freezer and NMR experiments (see Synthesis and crystallization) were performed on the single crystals, which corroborated the structure analysis from diffraction data.graphic file with name e-70-00312-scheme2.jpg

Structural Commentary  

The structure contains two independent mol­ecules of (I) (Fig. 1) that are metrically very similar. Each mol­ecule contains one anthracene and three SnMe3 ligands in a three-legged-piano-stool geometry. In each of the two independent mol­ecules, the trio of tin ligands are disordered with a 30° rotation of the set, although the minor component of the disorder is very small (<10% by mass in both cases). The anthracene ligands in both mol­ecules are coordinated in an η6 mode and are nearly planar, with only the slightest bends at the imaginary lines joining atoms C1 and C4 [5.4 (3)°] and C24 and C27 [9.7 (3)°]. The Co—C distances to the ring junction carbon atoms are slightly longer by 0.17 Å than those to the metal-coordinating non-ring junction atoms (Table 1). This has been referred to as a ‘flat-slipped’ coordination mode, and is likely due to an anti­bonding component of the anthracene HOMO at the ring-junction carbon atoms (Zhu et al., 2006). Thus the anthracene ligand is displaced slightly from the symmetric coordination mode found in η6-benzene metal complexes, in order to maximize the bonding overlaps with the four non-ring-junction carbon atoms. Because the metal is formally d 6 CoIII, the π-donation from the anthracene ligand is likely the most important contribution to its bonding.

Figure 1.

Figure 1

The two independent mol­ecules of (I), showing the atom numbering. The minor components of the disorder are shown with dashed lines and boundary ellipsoids. The two orientations of the SnMe3 ligand set fit in essentially the same volume because the methyl groups are overlapped. Displacement ellipsoids are drawn at the 50% probability level and hydrogen atoms have been omitted.

Table 1. Comparison of (I) with free anthracene and selected ‘flat-slipped’ structures (, ).

The numbering is according to Fig.2. For (I) and the molybdenum complex, only one of the two independent molecules for each is listed because they are metrically similar.

Feature (I) Anthracenea [(Cp")Ru(An)][PF6]b MoAn(PMe3)3 c
MC1 2.101(5)   2.207(4) 2.297(3)
MC2 2.102(5)   2.217(4) 2.261(3)
MC3 2.098(5)   2.223(4) 2.285(3)
MC4 2.132(5)   2.210(4) 2.268(3)
MC11 2.273(5)   2.289(4) 2.405(3)
MC21 2.274(5)   2.283(4) 2.424(3)
         
Increase (avg.) 0.165   0.072 0.137
         
C1C2 1.387(7) 1.3675(9) 1.399(6) 1.407(6)
C2C3 1.423(8) 1.4264(10) 1.415(7) 1.419(7)
C3C4 1.393(9) 1.3674(9) 1.398(7) 1.408(7)
C1C11 1.438(7) 1.4297(8) 1.431(6) 1.434(6)
C4C12 1.436(7) 1.4295(8) 1.441(6) 1.452(6)
C11C12 1.449(7) 1.4384(8) 1.449(5) 1.455(6)
         
Fold angle 5.4(3)   4.4 5.4

Notes: (a) unpublished structure determined locally; (b) Konovalov et al. (2011), Cp = C5Me4(CH2OMe), An = anthracene; (c) Zhu et al. (2006).

Database Survey  

Structures of η6-coordinated anthracene transition metal complexes are few [Cambridge Structural Database, Version 5.35, update No. 3, May 2014; Groom & Allen, 2014], but range from Ti (Seaburg et al., 1998) to Co (this work). Although one ligand in the titanium complex, [Ti(dmpe)(η4-C14H10)(η6-C14H10)] [dmpe = 1,2-bis(dimethylphosphino), is considered η6-coordinating based on Ti—C bond lengths, the fold angle between the plane consisting of non-ring-junction metal-coordinating carbon atoms and the rest of the ligand is nearly 20°, very likely placing it on the cusp of an η4 coordination mode. However, both [Cr(C14H10)(CO)3] (Hanic & Mills, 1968) and [Mo(C14H10)(PMe3)3] (Zhu et al., 2006) have nearly planar anthracene ligands (6.6 and 5.5–5.8°, respectively). The small fold angles and the M—C(ring junction) bond lengths that are slightly longer than the M—C(non-ring junction) ones exemplify the ‘flat-slipped’ coordination mode (Table 1). For these cases of early transition metals, the π-donation of anthracene is supplemented by δ-backbonding to the anthracene LUMO; however, the C—C bond lengths are not all that different from those seen in normal-valent late transition metal complexes, and all are elongated relative to those in free anthracene (Table 1).

In the structures of later transition metal compounds, the η6 ‘flat-slipped’ coordination mode is found in normal- or slightly sub-valent metal complexes, and the fold angle appears to be sensitive to oxidation state. In structures with RuII coordination centers (Garcia et al., 2010; Konovalov et al., 2011) the fold angles are 3.1 and 4.4°, respectively. As the oxidation state decreases, as in the cases of FeI (Schnöckelborg et al., 2012; Hatanaka et al., 2012) and RhI (Woolf et al., 2011), the fold angles increase slightly to 15.8, 9.1, 9.2, and 13.8°, respectively. Although fold angles may be subject to a variety of additional effects, including packing and sterics, in general the trend is that these angles increase with greater electron-acceptor behavior. This has been examined for the series Cp*Fe(C14H10)(−/0/+) and Cp*Fe(C10H8)(−/0/+), Cp* = C5Me5, by a combination of X-ray crystallography and DFT methods (Schnöckelborg et al., 2012). In low oxidation states, the fold angles are significant and the ring-junction carbon atoms are bent away from the metal, thus making the coordination η4. Whereas the folds become almost non-existent (<10°) for normal valent oxidation states and the coordination is η6, consistent with what is observed in (I), a formally CoIII, d 6 metal atom.

The 1H NMR data trends are in agreement with those reported for the isoelectronic species, [RuCp(η6-C14H10)](PF6) (McNair & Mann, 1986) and [OsCp(η6-C14H10)](PF6) (Freedman et al., 1997), and for the cationic cobalt complex [(η4-C4Me4)Co(η6-C14H10)](PF6) (Mutseneck et al., 2007). The most upfield anthracene 1H NMR resonances of δ = 5.98 (I), 6.33 (Ru), 6.62 (Os), and 6.65 (Co cation) p.p.m. demonstrate that the ligand is behaving almost entirely as a donor. The slightly upfield shifts from those of free anthracene may be due to a synergistic effect caused by the donation from the other ligands present, especially three SnMe3 anions, for which the shift is most pronounced.

To date, the analogous reaction using naphthalene instead of anthracene has not been performed.

Synthesis and crystallization  

A clear blue solution of CoBr2 (0.500 g, 2.29 mmol) in THF (60 ml, 195 K) was added to a deep-blue solution of K[C14H10] (6.86 mmol) in THF (60 ml, 195 K). To the resulting deep pinkish-red solution was added SnMe3Cl (0.455 g, 2.29 mmol) in THF (20 ml, 195 K), which dulled the color. After slow warming to room temperature, the solution was filtered to remove KBr and KCl. The solvent was removed under vacuum, and the product was extracted into pentane (25 ml) and filtered to give an intense violet solution. After the filtrate was cooled to and kept at 273 K for one h, the violet supernatant was carefully transferred to another vessel and placed in a freezer (243 K) for two days, during which time big purple–black crystals of the title complex formed. No attempts to establish the yield or obtain bulk elemental analyses were carried out. However, the product was characterized using the single crystals in solution by NMR and in the solid state by single-crystal X-ray diffraction. 1H NMR (300 MHz, CDCl3, 293 K, δ, p.p.m.): 8.32 (s, 2H, H9,10), 7.90 (m, 2H, H5,8 or H6,7), 7.48 (m, 2H, H5,8 or H6,7), 7.27 (CDCl3), 6.79 (m, 2H, H1,4 or H2,3), 5.98 (m, 2H, H1,4 or H2,3), 0.01 [s, 27H, 2 J(1H119Sn) = 20.6 Hz, CH 3], 13C{1H} NMR (75.5 MHz, CDCl3, 293 K, δ, p.p.m.): 127.8 (An), 127.4 (An), 126.9 (An), 93.3 (An), 86.3 (An), 77.2 (t, CDCl3), −2.9 (CH3). Quaternary carbon resonances were not resolved.

Refinement  

Crystal data, data collection and structure refinement details are summarized in Table 2. In each of the two independent mol­ecules, the trio of SnMe3 ligands are modeled as disordered over two positions, such that the carbon atoms nearly overlap. In the mol­ecule containing Co1 the disorder ratio refined to 0.9366 (8):0.0634 (8). That for the other mol­ecule refined to 0.9685 (8):0.0315 (8). Despite the small fraction of the minor components, when the disorders are not modeled, the R1 residual increases from 0.0375 to 0.0538. For each disorder model, analogous bond lengths and angles were heavily restrained to be similar. Anisotropic displacement parameters for pairs of near-isopositional carbon atoms were constrained to be equivalent.

Table 2. Experimental details.

Crystal data
Chemical formula [CoSn3(CH3)9(C14H10)]
M r 728.52
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 173
a, b, c () 12.9784(18), 13.0834(18), 16.734(2)
, , () 72.754(2), 75.891(2), 89.551(2)
V (3) 2625.5(6)
Z 4
Radiation type Mo K
(mm1) 3.45
Crystal size (mm) 0.28 0.24 0.06
 
Data collection
Diffractometer Siemens SMART CCD platform
Absorption correction Multi-scan (SADABS; Sheldrick, 2012)
T min, T max 0.493, 0.746
No. of measured, independent and observed [I > 2(I)] reflections 30588, 11891, 9564
R int 0.032
(sin /)max (1) 0.650
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.038, 0.086, 1.08
No. of reflections 11891
No. of parameters 639
No. of restraints 42
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 1.93, 0.79

Computer programs: SMART and SAINT (Bruker, 2003), SHELXS97, SHELXL2014 and SHELXTL (Sheldrick, 2008).

The rather large residual peak in the difference map (1.93 electrons per Å3, located 1.74 Å from atom C4) has no chemical meaning. It (and other similar smaller peaks) is likely due to a very minor twin component whose twin law is [Inline graphic 0 0 / 0 Inline graphic 0 / −0.623 −0.754 1], a 180 degree rotation about [001] (Parsons et al., 2003).

H-atom positions of cobalt-coordinating carbon atoms were refined freely, but with relative displacement parameters. All other H atoms were placed geometrically and treated as riding atoms: sp 2, C—H = 0.95 Å, with U iso(H) = 1.2U eq(C), and methyl, C—H = 0.98 Å with U iso(H) = 1.5U eq(C).

Supplementary Material

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536814021709/bg2536sup1.cif

e-70-00312-sup1.cif (940.8KB, cif)

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536814021709/bg2536Isup2.hkl

e-70-00312-Isup2.hkl (651KB, hkl)

CCDC reference: 1027247

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

Figure 2.

Figure 2

Anthracene numbering scheme for comparisons in Table 1.

Acknowledgments

This research has been supported by the US National Science Foundation and the donors of the Petroleum Research Fund, administered by the American Chemical Society. The authors thank Benjamin D. Hamilton for preliminary work performed on the structure.

supplementary crystallographic information

Crystal data

[CoSn3(C14H10)(CH3)9] Z = 4
Mr = 728.52 F(000) = 1408
Triclinic, P1 Dx = 1.843 Mg m3
a = 12.9784 (18) Å Mo Kα radiation, λ = 0.71073 Å
b = 13.0834 (18) Å Cell parameters from 3885 reflections
c = 16.734 (2) Å µ = 3.45 mm1
α = 72.754 (2)° T = 173 K
β = 75.891 (2)° Plate, dark purple
γ = 89.551 (2)° 0.28 × 0.24 × 0.06 mm
V = 2625.5 (6) Å3

Data collection

Siemens SMART CCD platform diffractometer 9564 reflections with I > 2σ(I)
Radiation source: normal-focus sealed tube Rint = 0.032
ω scans θmax = 27.5°, θmin = 1.3°
Absorption correction: multi-scan (SADABS; Sheldrick, 2012) h = −16→16
Tmin = 0.493, Tmax = 0.746 k = −16→16
30588 measured reflections l = −21→21
11891 independent reflections

Refinement

Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.038 Hydrogen site location: mixed
wR(F2) = 0.086 H atoms treated by a mixture of independent and constrained refinement
S = 1.08 w = 1/[σ2(Fo2) + (0.032P)2 + 4.7781P] where P = (Fo2 + 2Fc2)/3
11891 reflections (Δ/σ)max = 0.001
639 parameters Δρmax = 1.93 e Å3
42 restraints Δρmin = −0.79 e Å3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
Refinement. The largest residual peak of 1.93 electrons per Å3, located 1.74 Å from atom C4, has no chemical meaning. It (and other smaller peaks that likewise having no chemical meaning) is likely due to a very minor twin component whose twin law is [-1 0 0 / 0 - 1 0 / -0.623 - 0.754 1], a 180 degree rotation about [001] (Parsons, 2003).In each of the two independent molecules, the trio of SnMe3 ligands are modeled as disordered over two positions, such that the carbon atoms nearly overlap. In the molecule containing Co1 the disorder ratio refined to 0.9366 (8):0.0634 (8). That for the other molecule refined to 0.9686 (8):0.0314 (8). Despite the small mass of the minor components, when the disorders are not modeled, the R1 residual increases from 0.0375 to 0.0538.For each disorder model, analogous bond lengths and angles were heavily restrained to be similar. Anisotropic displacement parameters for pairs of near-isopositional carbon atoms were constrained to be equivalent.H atom positions of cobalt-coordinated carbon atoms were refined freely, but with relative thermal parameters as described below. All other H atoms were placed geometrically and treated as riding atoms: sp2, C—H = 0.95 Å, with Uiso(H) = 1.2Ueq(C), and methyl, C—H = 0.98 Å with Uiso(H) = 1.5Ueq(C).

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

x y z Uiso*/Ueq Occ. (<1)
Co1 0.37703 (4) 0.13516 (5) 0.21652 (4) 0.02862 (14)
C1 0.3223 (4) 0.0682 (4) 0.1335 (4) 0.0415 (12)
H1 0.362 (4) 0.067 (4) 0.077 (4) 0.050*
C2 0.2640 (4) 0.1551 (5) 0.1430 (4) 0.0461 (13)
H2 0.260 (5) 0.209 (5) 0.097 (4) 0.055*
C3 0.2146 (4) 0.1582 (5) 0.2279 (4) 0.0517 (15)
H3 0.184 (5) 0.217 (5) 0.238 (4) 0.062*
C4 0.2238 (4) 0.0760 (5) 0.3005 (4) 0.0450 (13)
H4 0.196 (4) 0.083 (4) 0.359 (4) 0.054*
C5 0.3347 (6) −0.2885 (5) 0.4240 (4) 0.0660 (18)
H5 0.3025 −0.2871 0.4811 0.079*
C6 0.3857 (6) −0.3749 (5) 0.4118 (5) 0.0712 (19)
H6 0.3891 −0.4328 0.4611 0.085*
C7 0.4344 (4) −0.3834 (4) 0.3286 (4) 0.0463 (13)
H7 0.4693 −0.4455 0.3219 0.056*
C8 0.4293 (4) −0.2988 (4) 0.2581 (4) 0.0458 (13)
H8 0.4611 −0.3031 0.2018 0.055*
C9 0.3733 (4) −0.1173 (4) 0.1964 (3) 0.0354 (10)
H9 0.4048 −0.1210 0.1398 0.042*
C10 0.2779 (4) −0.1078 (5) 0.3626 (4) 0.0506 (14)
H10 0.2451 −0.1056 0.4194 0.061*
C11 0.3238 (3) −0.0242 (4) 0.2056 (3) 0.0351 (11)
C12 0.2743 (4) −0.0195 (4) 0.2919 (4) 0.0418 (12)
C13 0.3286 (4) −0.1992 (4) 0.3520 (3) 0.0453 (13)
C14 0.3777 (4) −0.2042 (4) 0.2670 (3) 0.0383 (11)
Sn1 0.55882 (2) 0.16207 (3) 0.10994 (2) 0.03084 (9) 0.9365 (8)
C15 0.7078 (6) 0.2100 (7) 0.1306 (7) 0.0558 (16) 0.9365 (8)
H15A 0.7129 0.1689 0.1887 0.084* 0.9365 (8)
H15B 0.7100 0.2868 0.1249 0.084* 0.9365 (8)
H15C 0.7676 0.1960 0.0875 0.084* 0.9365 (8)
C16 0.6052 (8) 0.0186 (5) 0.0754 (4) 0.0454 (15) 0.9365 (8)
H16A 0.6783 0.0305 0.0390 0.068* 0.9365 (8)
H16B 0.5571 0.0015 0.0435 0.068* 0.9365 (8)
H16C 0.6011 −0.0412 0.1280 0.068* 0.9365 (8)
C17 0.5498 (5) 0.2734 (5) −0.0128 (4) 0.0489 (14) 0.9365 (8)
H17A 0.6121 0.2687 −0.0581 0.073* 0.9365 (8)
H17B 0.5483 0.3466 −0.0086 0.073* 0.9365 (8)
H17C 0.4848 0.2553 −0.0272 0.073* 0.9365 (8)
Sn2 0.47432 (3) 0.10385 (3) 0.33620 (2) 0.03731 (10) 0.9365 (8)
C18 0.5817 (5) 0.2171 (6) 0.3523 (6) 0.0574 (18) 0.9365 (8)
H18A 0.6102 0.1824 0.4021 0.086* 0.9365 (8)
H18B 0.5432 0.2788 0.3620 0.086* 0.9365 (8)
H18C 0.6405 0.2414 0.3001 0.086* 0.9365 (8)
C19 0.3608 (8) 0.0671 (7) 0.4623 (4) 0.068 (2) 0.9365 (8)
H19A 0.3480 −0.0109 0.4879 0.102* 0.9365 (8)
H19B 0.2936 0.0987 0.4555 0.102* 0.9365 (8)
H19C 0.3897 0.0968 0.5003 0.102* 0.9365 (8)
C20 0.5637 (5) −0.0349 (5) 0.3326 (5) 0.0568 (18) 0.9365 (8)
H20A 0.6340 −0.0231 0.3414 0.085* 0.9365 (8)
H20B 0.5721 −0.0467 0.2762 0.085* 0.9365 (8)
H20C 0.5256 −0.0980 0.3784 0.085* 0.9365 (8)
Sn3 0.39786 (3) 0.33197 (3) 0.20495 (2) 0.03421 (9) 0.9365 (8)
C21 0.5464 (5) 0.4278 (4) 0.1656 (4) 0.0454 (15) 0.9365 (8)
H21A 0.5320 0.5026 0.1609 0.068* 0.9365 (8)
H21B 0.5872 0.4232 0.1093 0.068* 0.9365 (8)
H21C 0.5876 0.4010 0.2085 0.068* 0.9365 (8)
C22 0.3205 (5) 0.4202 (5) 0.1061 (5) 0.0527 (17) 0.9365 (8)
H22A 0.2460 0.3927 0.1217 0.079* 0.9365 (8)
H22B 0.3571 0.4110 0.0503 0.079* 0.9365 (8)
H22C 0.3237 0.4965 0.1018 0.079* 0.9365 (8)
C23 0.3121 (5) 0.3570 (5) 0.3242 (4) 0.0522 (16) 0.9365 (8)
H23A 0.3552 0.3374 0.3664 0.078* 0.9365 (8)
H23B 0.2450 0.3123 0.3469 0.078* 0.9365 (8)
H23C 0.2970 0.4327 0.3137 0.078* 0.9365 (8)
Sn1' 0.5647 (4) 0.0882 (5) 0.1893 (4) 0.0500 (18) 0.0635 (8)
C15' 0.697 (7) 0.210 (8) 0.135 (7) 0.0558 (16) 0.0635 (8)
H15D 0.6906 0.2579 0.1709 0.084* 0.0635 (8)
H15E 0.7642 0.1749 0.1342 0.084* 0.0635 (8)
H15F 0.6956 0.2510 0.0762 0.084* 0.0635 (8)
C16' 0.604 (12) −0.001 (6) 0.097 (4) 0.0454 (15) 0.0635 (8)
H16D 0.5901 0.0418 0.0419 0.068* 0.0635 (8)
H16E 0.6793 −0.0154 0.0875 0.068* 0.0635 (8)
H16F 0.5599 −0.0685 0.1191 0.068* 0.0635 (8)
C17' 0.601 (7) −0.021 (6) 0.303 (3) 0.0522 (16) 0.0635 (8)
H17D 0.5864 0.0118 0.3499 0.078* 0.0635 (8)
H17E 0.5575 −0.0882 0.3209 0.078* 0.0635 (8)
H17F 0.6769 −0.0351 0.2893 0.078* 0.0635 (8)
Sn2' 0.3993 (5) 0.1957 (6) 0.3414 (4) 0.065 (2) 0.0635 (8)
C18' 0.554 (4) 0.231 (8) 0.356 (9) 0.0574 (18) 0.0635 (8)
H18D 0.6012 0.1747 0.3463 0.086* 0.0635 (8)
H18E 0.5850 0.3003 0.3139 0.086* 0.0635 (8)
H18F 0.5477 0.2353 0.4147 0.086* 0.0635 (8)
C19' 0.349 (9) 0.056 (5) 0.455 (4) 0.068 (2) 0.0635 (8)
H19D 0.3899 −0.0046 0.4461 0.102* 0.0635 (8)
H19E 0.3607 0.0724 0.5058 0.102* 0.0635 (8)
H19F 0.2728 0.0370 0.4649 0.102* 0.0635 (8)
C20' 0.307 (5) 0.326 (4) 0.364 (5) 0.0489 (14) 0.0635 (8)
H20D 0.2345 0.3151 0.3587 0.073* 0.0635 (8)
H20E 0.3029 0.3290 0.4229 0.073* 0.0635 (8)
H20F 0.3402 0.3939 0.3221 0.073* 0.0635 (8)
Sn3' 0.4487 (5) 0.3255 (5) 0.1205 (4) 0.0535 (18) 0.0635 (8)
C21' 0.542 (6) 0.450 (5) 0.137 (5) 0.0454 (15) 0.0635 (8)
H21D 0.5146 0.4561 0.1952 0.068* 0.0635 (8)
H21E 0.6165 0.4320 0.1290 0.068* 0.0635 (8)
H21F 0.5373 0.5184 0.0939 0.068* 0.0635 (8)
C22' 0.299 (4) 0.400 (6) 0.119 (6) 0.0527 (17) 0.0635 (8)
H22D 0.2647 0.4046 0.1773 0.079* 0.0635 (8)
H22E 0.3120 0.4729 0.0782 0.079* 0.0635 (8)
H22F 0.2515 0.3576 0.1021 0.079* 0.0635 (8)
C23' 0.516 (6) 0.320 (6) −0.009 (2) 0.0568 (18) 0.0635 (8)
H23D 0.4769 0.2646 −0.0201 0.085* 0.0635 (8)
H23E 0.5120 0.3899 −0.0503 0.085* 0.0635 (8)
H23F 0.5912 0.3035 −0.0152 0.085* 0.0635 (8)
Co2 0.00682 (4) 0.36883 (5) 0.78274 (4) 0.02670 (13)
C24 −0.0921 (4) 0.4357 (4) 0.8698 (3) 0.0363 (11)
H24 −0.090 (4) 0.437 (4) 0.922 (3) 0.044*
C25 −0.1491 (4) 0.3499 (4) 0.8624 (4) 0.0395 (11)
H25 −0.181 (4) 0.292 (4) 0.914 (4) 0.047*
C26 −0.1519 (4) 0.3471 (5) 0.7790 (4) 0.0429 (12)
H26 −0.192 (4) 0.291 (4) 0.778 (3) 0.051*
C27 −0.1030 (4) 0.4293 (4) 0.7063 (3) 0.0384 (11)
H27 −0.103 (4) 0.422 (4) 0.652 (4) 0.046*
C28 0.0525 (5) 0.8050 (5) 0.5773 (4) 0.0524 (14)
H28 0.0434 0.8071 0.5222 0.063*
C29 0.0933 (5) 0.8922 (5) 0.5886 (4) 0.0621 (17)
H29 0.1127 0.9557 0.5408 0.074*
C30 0.1081 (5) 0.8923 (5) 0.6696 (4) 0.0637 (17)
H30 0.1393 0.9547 0.6748 0.076*
C31 0.0788 (4) 0.8054 (4) 0.7391 (4) 0.0461 (13)
H31 0.0888 0.8070 0.7931 0.055*
C32 −0.0046 (4) 0.6209 (4) 0.8032 (3) 0.0381 (11)
H32 0.0016 0.6222 0.8583 0.046*
C33 −0.0198 (4) 0.6166 (4) 0.6414 (3) 0.0436 (12)
H33 −0.0243 0.6151 0.5859 0.052*
C34 −0.0510 (4) 0.5279 (4) 0.7965 (3) 0.0347 (10)
C35 −0.0569 (4) 0.5249 (4) 0.7129 (3) 0.0358 (11)
C36 0.0227 (4) 0.7085 (4) 0.6489 (3) 0.0390 (11)
C37 0.0323 (4) 0.7102 (4) 0.7325 (3) 0.0379 (11)
Sn4 0.12611 (2) 0.33492 (3) 0.88667 (2) 0.02952 (8) 0.9686 (8)
C38 0.2862 (4) 0.2827 (5) 0.8632 (4) 0.0469 (14) 0.9686 (8)
H38A 0.3119 0.2706 0.9155 0.070* 0.9686 (8)
H38B 0.3331 0.3381 0.8154 0.070* 0.9686 (8)
H38C 0.2862 0.2159 0.8482 0.070* 0.9686 (8)
C39 0.1534 (4) 0.4762 (5) 0.9231 (4) 0.0424 (14) 0.9686 (8)
H39A 0.2024 0.4609 0.9608 0.064* 0.9686 (8)
H39B 0.0856 0.4957 0.9540 0.064* 0.9686 (8)
H39C 0.1846 0.5357 0.8711 0.064* 0.9686 (8)
C40 0.0413 (5) 0.2233 (5) 1.0099 (4) 0.0519 (15) 0.9686 (8)
H40A 0.0801 0.2214 1.0537 0.078* 0.9686 (8)
H40B 0.0357 0.1515 1.0038 0.078* 0.9686 (8)
H40C −0.0303 0.2467 1.0278 0.078* 0.9686 (8)
Sn5 0.17472 (2) 0.40061 (3) 0.65953 (2) 0.03177 (9) 0.9686 (8)
C41 0.2885 (5) 0.2841 (5) 0.6367 (4) 0.0550 (17) 0.9686 (8)
H41A 0.3471 0.3187 0.5864 0.083* 0.9686 (8)
H41B 0.2532 0.2255 0.6259 0.083* 0.9686 (8)
H41C 0.3166 0.2555 0.6877 0.083* 0.9686 (8)
C42 0.1347 (5) 0.4509 (6) 0.5354 (4) 0.0554 (17) 0.9686 (8)
H42A 0.1888 0.4292 0.4926 0.083* 0.9686 (8)
H42B 0.1322 0.5291 0.5165 0.083* 0.9686 (8)
H42C 0.0650 0.4172 0.5413 0.083* 0.9686 (8)
C43 0.2710 (5) 0.5340 (5) 0.6633 (4) 0.0466 (14) 0.9686 (8)
H43A 0.3367 0.5473 0.6169 0.070* 0.9686 (8)
H43B 0.2887 0.5162 0.7193 0.070* 0.9686 (8)
H43C 0.2308 0.5984 0.6555 0.070* 0.9686 (8)
Sn6 0.01690 (3) 0.17235 (3) 0.79114 (2) 0.03626 (9) 0.9686 (8)
C44 0.1420 (5) 0.0721 (5) 0.8241 (5) 0.0539 (16) 0.9686 (8)
H44A 0.1251 −0.0008 0.8243 0.081* 0.9686 (8)
H44B 0.1483 0.0706 0.8816 0.081* 0.9686 (8)
H44C 0.2095 0.1010 0.7814 0.081* 0.9686 (8)
C45 −0.1180 (5) 0.0839 (5) 0.8929 (5) 0.0530 (16) 0.9686 (8)
H45A −0.1193 0.0083 0.8948 0.080* 0.9686 (8)
H45B −0.1841 0.1140 0.8813 0.080* 0.9686 (8)
H45C −0.1116 0.0894 0.9487 0.080* 0.9686 (8)
C46 −0.0068 (5) 0.1551 (5) 0.6712 (4) 0.0544 (16) 0.9686 (8)
H46A −0.0268 0.0799 0.6798 0.082* 0.9686 (8)
H46B 0.0594 0.1780 0.6255 0.082* 0.9686 (8)
H46C −0.0636 0.1998 0.6544 0.082* 0.9686 (8)
Sn4' 0.1818 (9) 0.4147 (9) 0.8092 (8) 0.053 (4) 0.0314 (8)
C38' 0.295 (8) 0.293 (7) 0.830 (8) 0.0469 (14) 0.0314 (8)
H38D 0.2997 0.2535 0.7876 0.070* 0.0314 (8)
H38E 0.3649 0.3275 0.8218 0.070* 0.0314 (8)
H38F 0.2711 0.2437 0.8883 0.070* 0.0314 (8)
C39' 0.191 (11) 0.485 (8) 0.910 (5) 0.0424 (14) 0.0314 (8)
H39D 0.1423 0.5430 0.9086 0.064* 0.0314 (8)
H39E 0.1699 0.4299 0.9662 0.064* 0.0314 (8)
H39F 0.2637 0.5137 0.8997 0.064* 0.0314 (8)
C40' 0.264 (10) 0.540 (6) 0.693 (4) 0.0466 (14) 0.0314 (8)
H40D 0.2168 0.5980 0.6797 0.070* 0.0314 (8)
H40E 0.3284 0.5677 0.7021 0.070* 0.0314 (8)
H40F 0.2833 0.5099 0.6444 0.070* 0.0314 (8)
Sn5' 0.1087 (11) 0.3209 (11) 0.6522 (7) 0.061 (4) 0.0314 (8)
C41' 0.279 (2) 0.305 (11) 0.619 (11) 0.0550 (17) 0.0314 (8)
H41D 0.2974 0.2480 0.6654 0.083* 0.0314 (8)
H41E 0.2994 0.2872 0.5649 0.083* 0.0314 (8)
H41F 0.3163 0.3730 0.6124 0.083* 0.0314 (8)
C42' 0.096 (12) 0.450 (7) 0.539 (6) 0.0554 (17) 0.0314 (8)
H42D 0.0212 0.4672 0.5448 0.083* 0.0314 (8)
H42E 0.1387 0.5141 0.5346 0.083* 0.0314 (8)
H42F 0.1218 0.4283 0.4871 0.083* 0.0314 (8)
C43' 0.040 (11) 0.176 (6) 0.641 (9) 0.0544 (16) 0.0314 (8)
H43D −0.0375 0.1765 0.6549 0.082* 0.0314 (8)
H43E 0.0667 0.1729 0.5816 0.082* 0.0314 (8)
H43F 0.0610 0.1128 0.6811 0.082* 0.0314 (8)
Sn6' 0.0243 (11) 0.1762 (9) 0.8696 (8) 0.067 (5) 0.0314 (8)
C44' 0.152 (7) 0.078 (9) 0.838 (9) 0.0539 (16) 0.0314 (8)
H44D 0.2201 0.1143 0.8320 0.081* 0.0314 (8)
H44E 0.1420 0.0089 0.8834 0.081* 0.0314 (8)
H44F 0.1517 0.0652 0.7827 0.081* 0.0314 (8)
C45' −0.111 (6) 0.074 (9) 0.877 (9) 0.0530 (16) 0.0314 (8)
H45D −0.1767 0.1088 0.8912 0.080* 0.0314 (8)
H45E −0.1033 0.0613 0.8207 0.080* 0.0314 (8)
H45F −0.1130 0.0051 0.9214 0.080* 0.0314 (8)
C46' 0.012 (11) 0.178 (11) 1.001 (3) 0.0519 (15) 0.0314 (8)
H46D −0.0454 0.2222 1.0179 0.078* 0.0314 (8)
H46E −0.0030 0.1045 1.0407 0.078* 0.0314 (8)
H46F 0.0796 0.2077 1.0044 0.078* 0.0314 (8)

Atomic displacement parameters (Å2)

U11 U22 U33 U12 U13 U23
Co1 0.0235 (3) 0.0335 (3) 0.0337 (3) 0.0020 (2) −0.0095 (2) −0.0155 (3)
C1 0.033 (3) 0.057 (3) 0.048 (3) 0.001 (2) −0.018 (2) −0.030 (3)
C2 0.033 (3) 0.054 (3) 0.068 (4) 0.009 (2) −0.032 (3) −0.026 (3)
C3 0.022 (2) 0.061 (4) 0.084 (5) 0.006 (2) −0.014 (3) −0.040 (4)
C4 0.031 (3) 0.050 (3) 0.054 (3) −0.006 (2) 0.000 (2) −0.025 (3)
C5 0.094 (5) 0.048 (4) 0.042 (3) −0.011 (3) 0.000 (3) −0.006 (3)
C6 0.090 (5) 0.048 (4) 0.061 (4) −0.007 (3) −0.009 (4) −0.002 (3)
C7 0.044 (3) 0.045 (3) 0.048 (3) −0.001 (2) −0.004 (2) −0.018 (3)
C8 0.040 (3) 0.050 (3) 0.051 (3) 0.003 (2) −0.008 (2) −0.023 (3)
C9 0.032 (2) 0.044 (3) 0.035 (3) 0.000 (2) −0.0075 (19) −0.019 (2)
C10 0.050 (3) 0.051 (3) 0.044 (3) −0.017 (3) 0.008 (2) −0.020 (3)
C11 0.026 (2) 0.041 (3) 0.045 (3) −0.0019 (19) −0.011 (2) −0.021 (2)
C12 0.029 (2) 0.048 (3) 0.051 (3) −0.007 (2) 0.001 (2) −0.026 (3)
C13 0.045 (3) 0.043 (3) 0.042 (3) −0.012 (2) 0.001 (2) −0.012 (2)
C14 0.033 (2) 0.043 (3) 0.042 (3) −0.006 (2) −0.008 (2) −0.018 (2)
Sn1 0.02348 (16) 0.03726 (19) 0.03407 (19) 0.00299 (13) −0.00831 (13) −0.01343 (15)
C15 0.030 (3) 0.064 (4) 0.082 (5) 0.002 (3) −0.017 (3) −0.034 (3)
C16 0.037 (3) 0.055 (4) 0.048 (4) 0.011 (3) −0.006 (3) −0.026 (3)
C17 0.041 (3) 0.058 (4) 0.040 (3) 0.004 (3) −0.008 (2) −0.006 (3)
Sn2 0.0451 (2) 0.0371 (2) 0.0365 (2) 0.00380 (15) −0.02069 (16) −0.01288 (16)
C18 0.064 (4) 0.062 (4) 0.063 (4) 0.003 (3) −0.039 (4) −0.027 (3)
C19 0.092 (5) 0.076 (5) 0.038 (3) −0.007 (4) −0.020 (3) −0.015 (3)
C20 0.065 (5) 0.054 (4) 0.066 (4) 0.024 (3) −0.039 (4) −0.021 (3)
Sn3 0.03129 (18) 0.03110 (18) 0.0436 (2) 0.00540 (13) −0.01187 (15) −0.01455 (15)
C21 0.040 (3) 0.035 (3) 0.059 (4) −0.004 (2) −0.018 (3) −0.005 (3)
C22 0.047 (3) 0.047 (4) 0.064 (4) 0.015 (3) −0.020 (3) −0.012 (3)
C23 0.055 (4) 0.050 (4) 0.055 (4) 0.013 (3) −0.009 (3) −0.026 (3)
Sn1' 0.037 (3) 0.061 (4) 0.059 (4) 0.003 (3) −0.013 (3) −0.027 (3)
C15' 0.030 (3) 0.064 (4) 0.082 (5) 0.002 (3) −0.017 (3) −0.034 (3)
C16' 0.037 (3) 0.055 (4) 0.048 (4) 0.011 (3) −0.006 (3) −0.026 (3)
C17' 0.055 (4) 0.050 (4) 0.055 (4) 0.013 (3) −0.009 (3) −0.026 (3)
Sn2' 0.066 (4) 0.084 (5) 0.051 (4) −0.022 (4) −0.011 (3) −0.034 (4)
C18' 0.064 (4) 0.062 (4) 0.063 (4) 0.003 (3) −0.039 (4) −0.027 (3)
C19' 0.092 (5) 0.076 (5) 0.038 (3) −0.007 (4) −0.020 (3) −0.015 (3)
C20' 0.041 (3) 0.058 (4) 0.040 (3) 0.004 (3) −0.008 (2) −0.006 (3)
Sn3' 0.046 (4) 0.060 (4) 0.054 (4) 0.008 (3) −0.017 (3) −0.012 (3)
C21' 0.040 (3) 0.035 (3) 0.059 (4) −0.004 (2) −0.018 (3) −0.005 (3)
C22' 0.047 (3) 0.047 (4) 0.064 (4) 0.015 (3) −0.020 (3) −0.012 (3)
C23' 0.065 (5) 0.054 (4) 0.066 (4) 0.024 (3) −0.039 (4) −0.021 (3)
Co2 0.0242 (3) 0.0307 (3) 0.0301 (3) 0.0025 (2) −0.0111 (2) −0.0132 (3)
C24 0.032 (2) 0.047 (3) 0.036 (3) 0.015 (2) −0.010 (2) −0.021 (2)
C25 0.021 (2) 0.042 (3) 0.051 (3) 0.0059 (19) −0.005 (2) −0.010 (2)
C26 0.027 (2) 0.052 (3) 0.061 (4) 0.003 (2) −0.024 (2) −0.024 (3)
C27 0.040 (3) 0.044 (3) 0.044 (3) 0.011 (2) −0.027 (2) −0.019 (2)
C28 0.067 (4) 0.047 (3) 0.039 (3) 0.005 (3) −0.004 (3) −0.014 (3)
C29 0.073 (4) 0.047 (4) 0.051 (4) −0.001 (3) 0.000 (3) −0.006 (3)
C30 0.067 (4) 0.049 (4) 0.071 (4) −0.011 (3) −0.004 (3) −0.023 (3)
C31 0.040 (3) 0.049 (3) 0.058 (3) 0.004 (2) −0.012 (2) −0.030 (3)
C32 0.034 (2) 0.056 (3) 0.035 (3) 0.007 (2) −0.012 (2) −0.026 (2)
C33 0.059 (3) 0.044 (3) 0.034 (3) 0.011 (2) −0.020 (2) −0.015 (2)
C34 0.029 (2) 0.045 (3) 0.034 (3) 0.009 (2) −0.0116 (19) −0.016 (2)
C35 0.037 (3) 0.040 (3) 0.041 (3) 0.011 (2) −0.022 (2) −0.020 (2)
C36 0.041 (3) 0.043 (3) 0.037 (3) 0.012 (2) −0.011 (2) −0.016 (2)
C37 0.036 (3) 0.037 (3) 0.051 (3) 0.013 (2) −0.022 (2) −0.021 (2)
Sn4 0.02549 (16) 0.03679 (18) 0.03028 (17) 0.00225 (12) −0.01220 (12) −0.01196 (14)
C38 0.033 (3) 0.059 (4) 0.059 (4) 0.011 (2) −0.022 (3) −0.024 (3)
C39 0.038 (3) 0.054 (3) 0.050 (3) 0.004 (2) −0.020 (2) −0.029 (3)
C40 0.048 (3) 0.064 (4) 0.036 (3) −0.004 (3) −0.014 (2) 0.000 (3)
Sn5 0.02953 (17) 0.03985 (19) 0.02961 (17) 0.00062 (13) −0.00817 (13) −0.01540 (14)
C41 0.049 (3) 0.059 (4) 0.059 (4) 0.014 (3) −0.006 (3) −0.027 (3)
C42 0.052 (4) 0.089 (5) 0.032 (3) 0.002 (3) −0.017 (3) −0.023 (3)
C43 0.043 (3) 0.051 (3) 0.045 (3) −0.012 (2) −0.013 (3) −0.012 (3)
Sn6 0.03465 (18) 0.03089 (18) 0.0499 (2) 0.00055 (13) −0.01780 (15) −0.01638 (16)
C44 0.060 (4) 0.035 (3) 0.076 (5) 0.014 (3) −0.031 (3) −0.019 (3)
C45 0.042 (3) 0.046 (3) 0.070 (4) −0.009 (2) −0.021 (3) −0.009 (3)
C46 0.060 (4) 0.055 (4) 0.066 (4) 0.004 (3) −0.029 (3) −0.036 (3)
Sn4' 0.038 (6) 0.074 (9) 0.062 (9) 0.009 (6) −0.026 (6) −0.032 (7)
C38' 0.033 (3) 0.059 (4) 0.059 (4) 0.011 (2) −0.022 (3) −0.024 (3)
C39' 0.038 (3) 0.054 (3) 0.050 (3) 0.004 (2) −0.020 (2) −0.029 (3)
C40' 0.043 (3) 0.051 (3) 0.045 (3) −0.012 (2) −0.013 (3) −0.012 (3)
Sn5' 0.059 (8) 0.082 (10) 0.064 (9) 0.016 (7) −0.026 (7) −0.046 (8)
C41' 0.049 (3) 0.059 (4) 0.059 (4) 0.014 (3) −0.006 (3) −0.027 (3)
C42' 0.052 (4) 0.089 (5) 0.032 (3) 0.002 (3) −0.017 (3) −0.023 (3)
C43' 0.060 (4) 0.055 (4) 0.066 (4) 0.004 (3) −0.029 (3) −0.036 (3)
Sn6' 0.067 (9) 0.053 (9) 0.072 (10) 0.000 (7) −0.021 (8) −0.005 (7)
C44' 0.060 (4) 0.035 (3) 0.076 (5) 0.014 (3) −0.031 (3) −0.019 (3)
C45' 0.042 (3) 0.046 (3) 0.070 (4) −0.009 (2) −0.021 (3) −0.009 (3)
C46' 0.048 (3) 0.064 (4) 0.036 (3) −0.004 (3) −0.014 (2) 0.000 (3)

Geometric parameters (Å, º)

Co1—C3 2.098 (5) Co2—C24 2.088 (5)
Co1—C1 2.101 (5) Co2—C26 2.100 (5)
Co1—C2 2.102 (5) Co2—C25 2.104 (5)
Co1—C4 2.132 (5) Co2—C27 2.136 (5)
Co1—C11 2.273 (5) Co2—C34 2.264 (5)
Co1—C12 2.274 (5) Co2—C35 2.291 (5)
Co1—Sn1' 2.474 (5) Co2—Sn5' 2.512 (11)
Co1—Sn2' 2.521 (5) Co2—Sn4' 2.526 (10)
Co1—Sn3 2.5359 (8) Co2—Sn6 2.5366 (8)
Co1—Sn1 2.5418 (7) Co2—Sn4 2.5423 (7)
Co1—Sn2 2.5518 (7) Co2—Sn5 2.5471 (7)
Co1—Sn3' 2.566 (6) Co2—Sn6' 2.549 (12)
C1—C2 1.387 (7) C24—C25 1.400 (7)
C1—C11 1.438 (7) C24—C34 1.435 (7)
C1—H1 0.97 (5) C24—H24 0.89 (5)
C2—C3 1.423 (8) C25—C26 1.416 (8)
C2—H2 0.88 (6) C25—H25 0.96 (5)
C3—C4 1.393 (9) C26—C27 1.377 (8)
C3—H3 0.91 (6) C26—H26 0.91 (6)
C4—C12 1.436 (7) C27—C35 1.435 (7)
C4—H4 0.99 (6) C27—H27 0.94 (5)
C5—C6 1.348 (9) C28—C29 1.343 (8)
C5—C13 1.425 (8) C28—C36 1.437 (7)
C5—H5 0.9500 C28—H28 0.9500
C6—C7 1.418 (8) C29—C30 1.417 (9)
C6—H6 0.9500 C29—H29 0.9500
C7—C8 1.373 (8) C30—C31 1.340 (8)
C7—H7 0.9500 C30—H30 0.9500
C8—C14 1.431 (7) C31—C37 1.434 (7)
C8—H8 0.9500 C31—H31 0.9500
C9—C14 1.388 (7) C32—C37 1.382 (7)
C9—C11 1.403 (7) C32—C34 1.406 (7)
C9—H9 0.9500 C32—H32 0.9500
C10—C13 1.397 (8) C33—C36 1.378 (7)
C10—C12 1.398 (8) C33—C35 1.407 (7)
C10—H10 0.9500 C33—H33 0.9500
C11—C12 1.449 (7) C34—C35 1.432 (6)
C13—C14 1.431 (7) C36—C37 1.440 (7)
Sn1—C16 2.162 (5) Sn4—C38 2.163 (5)
Sn1—C17 2.167 (6) Sn4—C39 2.167 (5)
Sn1—C15 2.174 (6) Sn4—C40 2.175 (5)
C15—H15A 0.9800 C38—H38A 0.9800
C15—H15B 0.9800 C38—H38B 0.9800
C15—H15C 0.9800 C38—H38C 0.9800
C16—H16A 0.9800 C39—H39A 0.9800
C16—H16B 0.9800 C39—H39B 0.9800
C16—H16C 0.9800 C39—H39C 0.9800
C17—H17A 0.9800 C40—H40A 0.9800
C17—H17B 0.9800 C40—H40B 0.9800
C17—H17C 0.9800 C40—H40C 0.9800
Sn2—C20 2.155 (6) Sn5—C41 2.164 (6)
Sn2—C18 2.159 (6) Sn5—C42 2.174 (5)
Sn2—C19 2.179 (7) Sn5—C43 2.179 (5)
C18—H18A 0.9800 C41—H41A 0.9800
C18—H18B 0.9800 C41—H41B 0.9800
C18—H18C 0.9800 C41—H41C 0.9800
C19—H19A 0.9800 C42—H42A 0.9800
C19—H19B 0.9800 C42—H42B 0.9800
C19—H19C 0.9800 C42—H42C 0.9800
C20—H20A 0.9800 C43—H43A 0.9800
C20—H20B 0.9800 C43—H43B 0.9800
C20—H20C 0.9800 C43—H43C 0.9800
Sn3—C23 2.151 (6) Sn6—C44 2.152 (6)
Sn3—C21 2.157 (5) Sn6—C45 2.172 (6)
Sn3—C22 2.176 (6) Sn6—C46 2.177 (6)
C21—H21A 0.9800 C44—H44A 0.9800
C21—H21B 0.9800 C44—H44B 0.9800
C21—H21C 0.9800 C44—H44C 0.9800
C22—H22A 0.9800 C45—H45A 0.9800
C22—H22B 0.9800 C45—H45B 0.9800
C22—H22C 0.9800 C45—H45C 0.9800
C23—H23A 0.9800 C46—H46A 0.9800
C23—H23B 0.9800 C46—H46B 0.9800
C23—H23C 0.9800 C46—H46C 0.9800
Sn1'—C16' 2.162 (7) Sn4'—C38' 2.163 (6)
Sn1'—C17' 2.167 (7) Sn4'—C39' 2.167 (6)
Sn1'—C15' 2.174 (7) Sn4'—C40' 2.175 (7)
C15'—H15D 0.9800 C38'—H38D 0.9800
C15'—H15E 0.9800 C38'—H38E 0.9800
C15'—H15F 0.9800 C38'—H38F 0.9800
C16'—H16D 0.9800 C39'—H39D 0.9800
C16'—H16E 0.9800 C39'—H39E 0.9800
C16'—H16F 0.9800 C39'—H39F 0.9800
C17'—H17D 0.9800 C40'—H40D 0.9800
C17'—H17E 0.9800 C40'—H40E 0.9800
C17'—H17F 0.9800 C40'—H40F 0.9800
Sn2'—C20' 2.155 (7) Sn5'—C41' 2.164 (7)
Sn2'—C18' 2.159 (7) Sn5'—C42' 2.174 (7)
Sn2'—C19' 2.179 (8) Sn5'—C43' 2.179 (7)
C18'—H18D 0.9800 C41'—H41D 0.9800
C18'—H18E 0.9800 C41'—H41E 0.9800
C18'—H18F 0.9800 C41'—H41F 0.9800
C19'—H19D 0.9800 C42'—H42D 0.9800
C19'—H19E 0.9800 C42'—H42E 0.9800
C19'—H19F 0.9800 C42'—H42F 0.9800
C20'—H20D 0.9800 C43'—H43D 0.9800
C20'—H20E 0.9800 C43'—H43E 0.9800
C20'—H20F 0.9800 C43'—H43F 0.9800
Sn3'—C23' 2.151 (7) Sn6'—C44' 2.152 (7)
Sn3'—C21' 2.157 (6) Sn6'—C45' 2.172 (7)
Sn3'—C22' 2.176 (7) Sn6'—C46' 2.177 (7)
C21'—H21D 0.9800 C44'—H44D 0.9800
C21'—H21E 0.9800 C44'—H44E 0.9800
C21'—H21F 0.9800 C44'—H44F 0.9800
C22'—H22D 0.9800 C45'—H45D 0.9800
C22'—H22E 0.9800 C45'—H45E 0.9800
C22'—H22F 0.9800 C45'—H45F 0.9800
C23'—H23D 0.9800 C46'—H46D 0.9800
C23'—H23E 0.9800 C46'—H46E 0.9800
C23'—H23F 0.9800 C46'—H46F 0.9800
C3—Co1—C1 70.3 (2) C24—Co2—C26 70.8 (2)
C3—Co1—C2 39.6 (2) C24—Co2—C25 39.0 (2)
C1—Co1—C2 38.5 (2) C26—Co2—C25 39.4 (2)
C3—Co1—C4 38.4 (2) C24—Co2—C27 83.0 (2)
C1—Co1—C4 83.1 (2) C26—Co2—C27 37.9 (2)
C2—Co1—C4 70.8 (2) C25—Co2—C27 69.9 (2)
C3—Co1—C11 80.9 (2) C24—Co2—C34 38.24 (18)
C1—Co1—C11 38.1 (2) C26—Co2—C34 81.00 (19)
C2—Co1—C11 68.7 (2) C25—Co2—C34 68.77 (19)
C4—Co1—C11 68.30 (19) C27—Co2—C34 67.99 (18)
C3—Co1—C12 68.4 (2) C24—Co2—C35 68.27 (19)
C1—Co1—C12 68.8 (2) C26—Co2—C35 67.7 (2)
C2—Co1—C12 81.8 (2) C25—Co2—C35 80.68 (19)
C4—Co1—C12 37.86 (19) C27—Co2—C35 37.62 (17)
C11—Co1—C12 37.15 (17) C34—Co2—C35 36.63 (16)
C3—Co1—Sn1' 170.6 (2) C24—Co2—Sn5' 166.4 (3)
C1—Co1—Sn1' 100.5 (2) C26—Co2—Sn5' 102.3 (3)
C2—Co1—Sn1' 132.9 (2) C25—Co2—Sn5' 139.3 (3)
C4—Co1—Sn1' 141.2 (2) C27—Co2—Sn5' 84.6 (3)
C11—Co1—Sn1' 90.71 (18) C34—Co2—Sn5' 130.5 (3)
C12—Co1—Sn1' 107.26 (19) C35—Co2—Sn5' 98.4 (3)
C3—Co1—Sn2' 98.8 (2) C24—Co2—Sn4' 97.6 (3)
C1—Co1—Sn2' 165.9 (2) C26—Co2—Sn4' 168.4 (3)
C2—Co1—Sn2' 135.2 (2) C25—Co2—Sn4' 130.4 (3)
C4—Co1—Sn2' 82.8 (2) C27—Co2—Sn4' 142.9 (3)
C11—Co1—Sn2' 133.4 (2) C34—Co2—Sn4' 89.6 (3)
C12—Co1—Sn2' 99.2 (2) C35—Co2—Sn4' 108.3 (3)
Sn1'—Co1—Sn2' 90.02 (19) Sn5'—Co2—Sn4' 89.0 (3)
C3—Co1—Sn3 86.04 (17) C24—Co2—Sn6 127.92 (15)
C1—Co1—Sn3 127.76 (16) C26—Co2—Sn6 85.08 (15)
C2—Co1—Sn3 95.20 (16) C25—Co2—Sn6 94.87 (14)
C4—Co1—Sn3 106.55 (15) C27—Co2—Sn6 105.56 (14)
C11—Co1—Sn3 163.89 (13) C34—Co2—Sn6 163.54 (12)
C12—Co1—Sn3 143.26 (13) C35—Co2—Sn6 142.22 (12)
C3—Co1—Sn1 144.16 (19) C24—Co2—Sn4 85.28 (14)
C1—Co1—Sn1 86.74 (15) C26—Co2—Sn4 141.95 (16)
C2—Co1—Sn1 106.42 (17) C25—Co2—Sn4 104.72 (15)
C4—Co1—Sn1 166.18 (15) C27—Co2—Sn4 166.36 (14)
C11—Co1—Sn1 97.96 (12) C34—Co2—Sn4 98.44 (12)
C12—Co1—Sn1 129.04 (13) C35—Co2—Sn4 130.42 (12)
Sn3—Co1—Sn1 87.09 (2) Sn6—Co2—Sn4 87.15 (2)
C3—Co1—Sn2 126.82 (19) C24—Co2—Sn5 145.11 (15)
C1—Co1—Sn2 146.16 (16) C26—Co2—Sn5 128.37 (16)
C2—Co1—Sn2 166.12 (17) C25—Co2—Sn5 167.34 (15)
C4—Co1—Sn2 95.78 (17) C27—Co2—Sn5 97.77 (15)
C11—Co1—Sn2 110.27 (13) C34—Co2—Sn5 109.82 (12)
C12—Co1—Sn2 89.63 (14) C35—Co2—Sn5 91.08 (13)
Sn3—Co1—Sn2 85.14 (2) Sn6—Co2—Sn5 85.73 (2)
Sn1—Co1—Sn2 87.46 (2) Sn4—Co2—Sn5 87.95 (2)
C3—Co1—Sn3' 97.4 (2) C24—Co2—Sn6' 105.7 (4)
C1—Co1—Sn3' 103.7 (2) C26—Co2—Sn6' 96.5 (3)
C2—Co1—Sn3' 84.7 (2) C25—Co2—Sn6' 85.8 (4)
C4—Co1—Sn3' 130.8 (2) C27—Co2—Sn6' 129.0 (3)
C11—Co1—Sn3' 140.25 (19) C34—Co2—Sn6' 142.7 (3)
C12—Co1—Sn3' 165.27 (19) C35—Co2—Sn6' 164.1 (3)
Sn1'—Co1—Sn3' 86.31 (18) Sn5'—Co2—Sn6' 86.5 (3)
Sn2'—Co1—Sn3' 86.25 (19) Sn4'—Co2—Sn6' 86.8 (3)
C2—C1—C11 122.2 (5) C25—C24—C34 121.2 (5)
C2—C1—Co1 70.8 (3) C25—C24—Co2 71.1 (3)
C11—C1—Co1 77.4 (3) C34—C24—Co2 77.5 (3)
C2—C1—H1 121 (3) C25—C24—H24 119 (3)
C11—C1—H1 117 (3) C34—C24—H24 119 (3)
Co1—C1—H1 126 (3) Co2—C24—H24 131 (3)
C1—C2—C3 118.6 (6) C24—C25—C26 118.9 (5)
C1—C2—Co1 70.7 (3) C24—C25—Co2 69.9 (3)
C3—C2—Co1 70.0 (3) C26—C25—Co2 70.1 (3)
C1—C2—H2 121 (4) C24—C25—H25 119 (3)
C3—C2—H2 120 (4) C26—C25—H25 121 (3)
Co1—C2—H2 129 (4) Co2—C25—H25 128 (3)
C4—C3—C2 121.1 (5) C27—C26—C25 120.7 (5)
C4—C3—Co1 72.1 (3) C27—C26—Co2 72.5 (3)
C2—C3—Co1 70.4 (3) C25—C26—Co2 70.5 (3)
C4—C3—H3 116 (4) C27—C26—H26 124 (4)
C2—C3—H3 122 (4) C25—C26—H26 115 (4)
Co1—C3—H3 123 (4) Co2—C26—H26 134 (4)
C3—C4—C12 120.9 (5) C26—C27—C35 121.3 (5)
C3—C4—Co1 69.5 (3) C26—C27—Co2 69.6 (3)
C12—C4—Co1 76.5 (3) C35—C27—Co2 77.1 (3)
C3—C4—H4 120 (3) C26—C27—H27 118 (3)
C12—C4—H4 119 (3) C35—C27—H27 120 (3)
Co1—C4—H4 126 (3) Co2—C27—H27 127 (3)
C6—C5—C13 120.6 (6) C29—C28—C36 119.7 (6)
C6—C5—H5 119.7 C29—C28—H28 120.1
C13—C5—H5 119.7 C36—C28—H28 120.1
C5—C6—C7 122.9 (6) C28—C29—C30 121.8 (6)
C5—C6—H6 118.5 C28—C29—H29 119.1
C7—C6—H6 118.5 C30—C29—H29 119.1
C8—C7—C6 117.7 (5) C31—C30—C29 120.8 (6)
C8—C7—H7 121.1 C31—C30—H30 119.6
C6—C7—H7 121.1 C29—C30—H30 119.6
C7—C8—C14 122.0 (5) C30—C31—C37 120.4 (6)
C7—C8—H8 119.0 C30—C31—H31 119.8
C14—C8—H8 119.0 C37—C31—H31 119.8
C14—C9—C11 122.3 (4) C37—C32—C34 122.3 (4)
C14—C9—H9 118.9 C37—C32—H32 118.8
C11—C9—H9 118.9 C34—C32—H32 118.8
C13—C10—C12 121.6 (5) C36—C33—C35 122.4 (5)
C13—C10—H10 119.2 C36—C33—H33 118.8
C12—C10—H10 119.2 C35—C33—H33 118.8
C9—C11—C1 123.0 (5) C32—C34—C35 118.6 (4)
C9—C11—C12 118.8 (5) C32—C34—C24 122.9 (4)
C1—C11—C12 118.2 (4) C35—C34—C24 118.5 (4)
C9—C11—Co1 135.6 (3) C32—C34—Co2 135.6 (3)
C1—C11—Co1 64.4 (3) C35—C34—Co2 72.7 (3)
C12—C11—Co1 71.5 (3) C24—C34—Co2 64.2 (3)
C10—C12—C4 123.1 (5) C33—C35—C34 118.6 (4)
C10—C12—C11 118.7 (5) C33—C35—C27 123.0 (4)
C4—C12—C11 118.2 (5) C34—C35—C27 118.4 (5)
C10—C12—Co1 135.5 (4) C33—C35—Co2 138.5 (4)
C4—C12—Co1 65.7 (3) C34—C35—Co2 70.6 (3)
C11—C12—Co1 71.4 (3) C27—C35—Co2 65.3 (3)
C10—C13—C5 121.9 (5) C33—C36—C28 122.4 (5)
C10—C13—C14 119.9 (5) C33—C36—C37 119.1 (5)
C5—C13—C14 118.2 (5) C28—C36—C37 118.5 (5)
C9—C14—C8 122.6 (5) C32—C37—C31 122.5 (5)
C9—C14—C13 118.8 (5) C32—C37—C36 119.0 (4)
C8—C14—C13 118.6 (5) C31—C37—C36 118.5 (5)
C16—Sn1—C17 102.3 (2) C38—Sn4—C39 99.8 (2)
C16—Sn1—C15 99.3 (2) C38—Sn4—C40 105.0 (2)
C17—Sn1—C15 104.9 (3) C39—Sn4—C40 101.9 (2)
C16—Sn1—Co1 112.4 (2) C38—Sn4—Co2 126.31 (15)
C17—Sn1—Co1 109.18 (16) C39—Sn4—Co2 112.00 (15)
C15—Sn1—Co1 126.0 (3) C40—Sn4—Co2 109.04 (16)
Sn1—C15—H15A 109.5 Sn4—C38—H38A 109.5
Sn1—C15—H15B 109.5 Sn4—C38—H38B 109.5
H15A—C15—H15B 109.5 H38A—C38—H38B 109.5
Sn1—C15—H15C 109.5 Sn4—C38—H38C 109.5
H15A—C15—H15C 109.5 H38A—C38—H38C 109.5
H15B—C15—H15C 109.5 H38B—C38—H38C 109.5
Sn1—C16—H16A 109.5 Sn4—C39—H39A 109.5
Sn1—C16—H16B 109.5 Sn4—C39—H39B 109.5
H16A—C16—H16B 109.5 H39A—C39—H39B 109.5
Sn1—C16—H16C 109.5 Sn4—C39—H39C 109.5
H16A—C16—H16C 109.5 H39A—C39—H39C 109.5
H16B—C16—H16C 109.5 H39B—C39—H39C 109.5
Sn1—C17—H17A 109.5 Sn4—C40—H40A 109.5
Sn1—C17—H17B 109.5 Sn4—C40—H40B 109.5
H17A—C17—H17B 109.5 H40A—C40—H40B 109.5
Sn1—C17—H17C 109.5 Sn4—C40—H40C 109.5
H17A—C17—H17C 109.5 H40A—C40—H40C 109.5
H17B—C17—H17C 109.5 H40B—C40—H40C 109.5
C20—Sn2—C18 105.1 (3) C41—Sn5—C42 99.8 (3)
C20—Sn2—C19 108.1 (3) C41—Sn5—C43 104.2 (3)
C18—Sn2—C19 98.7 (3) C42—Sn5—C43 106.4 (2)
C20—Sn2—Co1 106.28 (18) C41—Sn5—Co2 126.63 (18)
C18—Sn2—Co1 127.0 (2) C42—Sn5—Co2 110.42 (16)
C19—Sn2—Co1 110.5 (3) C43—Sn5—Co2 107.81 (16)
Sn2—C18—H18A 109.5 Sn5—C41—H41A 109.5
Sn2—C18—H18B 109.5 Sn5—C41—H41B 109.5
H18A—C18—H18B 109.5 H41A—C41—H41B 109.5
Sn2—C18—H18C 109.5 Sn5—C41—H41C 109.5
H18A—C18—H18C 109.5 H41A—C41—H41C 109.5
H18B—C18—H18C 109.5 H41B—C41—H41C 109.5
Sn2—C19—H19A 109.5 Sn5—C42—H42A 109.5
Sn2—C19—H19B 109.5 Sn5—C42—H42B 109.5
H19A—C19—H19B 109.5 H42A—C42—H42B 109.5
Sn2—C19—H19C 109.5 Sn5—C42—H42C 109.5
H19A—C19—H19C 109.5 H42A—C42—H42C 109.5
H19B—C19—H19C 109.5 H42B—C42—H42C 109.5
Sn2—C20—H20A 109.5 Sn5—C43—H43A 109.5
Sn2—C20—H20B 109.5 Sn5—C43—H43B 109.5
H20A—C20—H20B 109.5 H43A—C43—H43B 109.5
Sn2—C20—H20C 109.5 Sn5—C43—H43C 109.5
H20A—C20—H20C 109.5 H43A—C43—H43C 109.5
H20B—C20—H20C 109.5 H43B—C43—H43C 109.5
C23—Sn3—C21 105.8 (3) C44—Sn6—C45 99.8 (3)
C23—Sn3—C22 106.6 (3) C44—Sn6—C46 107.4 (2)
C21—Sn3—C22 100.4 (2) C45—Sn6—C46 106.1 (2)
C23—Sn3—Co1 109.53 (18) C44—Sn6—Co2 126.20 (17)
C21—Sn3—Co1 125.91 (17) C45—Sn6—Co2 107.62 (18)
C22—Sn3—Co1 106.98 (19) C46—Sn6—Co2 108.02 (17)
Sn3—C21—H21A 109.5 Sn6—C44—H44A 109.5
Sn3—C21—H21B 109.5 Sn6—C44—H44B 109.5
H21A—C21—H21B 109.5 H44A—C44—H44B 109.5
Sn3—C21—H21C 109.5 Sn6—C44—H44C 109.5
H21A—C21—H21C 109.5 H44A—C44—H44C 109.5
H21B—C21—H21C 109.5 H44B—C44—H44C 109.5
Sn3—C22—H22A 109.5 Sn6—C45—H45A 109.5
Sn3—C22—H22B 109.5 Sn6—C45—H45B 109.5
H22A—C22—H22B 109.5 H45A—C45—H45B 109.5
Sn3—C22—H22C 109.5 Sn6—C45—H45C 109.5
H22A—C22—H22C 109.5 H45A—C45—H45C 109.5
H22B—C22—H22C 109.5 H45B—C45—H45C 109.5
Sn3—C23—H23A 109.5 Sn6—C46—H46A 109.5
Sn3—C23—H23B 109.5 Sn6—C46—H46B 109.5
H23A—C23—H23B 109.5 H46A—C46—H46B 109.5
Sn3—C23—H23C 109.5 Sn6—C46—H46C 109.5
H23A—C23—H23C 109.5 H46A—C46—H46C 109.5
H23B—C23—H23C 109.5 H46B—C46—H46C 109.5
C16'—Sn1'—C17' 102.3 (5) C38'—Sn4'—C39' 99.8 (4)
C16'—Sn1'—C15' 99.3 (4) C38'—Sn4'—C40' 105.0 (5)
C17'—Sn1'—C15' 104.9 (5) C39'—Sn4'—C40' 101.9 (5)
C16'—Sn1'—Co1 113 (4) C38'—Sn4'—Co2 120 (4)
C17'—Sn1'—Co1 113 (2) C39'—Sn4'—Co2 122 (4)
C15'—Sn1'—Co1 122 (3) C40'—Sn4'—Co2 106 (4)
Sn1'—C15'—H15D 109.5 Sn4'—C38'—H38D 109.5
Sn1'—C15'—H15E 109.5 Sn4'—C38'—H38E 109.5
H15D—C15'—H15E 109.5 H38D—C38'—H38E 109.5
Sn1'—C15'—H15F 109.5 Sn4'—C38'—H38F 109.5
H15D—C15'—H15F 109.5 H38D—C38'—H38F 109.5
H15E—C15'—H15F 109.5 H38E—C38'—H38F 109.5
Sn1'—C16'—H16D 109.5 Sn4'—C39'—H39D 109.5
Sn1'—C16'—H16E 109.5 Sn4'—C39'—H39E 109.5
H16D—C16'—H16E 109.5 H39D—C39'—H39E 109.5
Sn1'—C16'—H16F 109.5 Sn4'—C39'—H39F 109.5
H16D—C16'—H16F 109.5 H39D—C39'—H39F 109.5
H16E—C16'—H16F 109.5 H39E—C39'—H39F 109.5
Sn1'—C17'—H17D 109.5 Sn4'—C40'—H40D 109.5
Sn1'—C17'—H17E 109.5 Sn4'—C40'—H40E 109.5
H17D—C17'—H17E 109.5 H40D—C40'—H40E 109.5
Sn1'—C17'—H17F 109.5 Sn4'—C40'—H40F 109.5
H17D—C17'—H17F 109.5 H40D—C40'—H40F 109.5
H17E—C17'—H17F 109.5 H40E—C40'—H40F 109.5
C20'—Sn2'—C18' 105.1 (5) C41'—Sn5'—C42' 99.8 (5)
C20'—Sn2'—C19' 108.1 (5) C41'—Sn5'—C43' 104.2 (5)
C18'—Sn2'—C19' 98.7 (5) C42'—Sn5'—C43' 106.4 (5)
C20'—Sn2'—Co1 116 (2) C41'—Sn5'—Co2 125 (5)
C18'—Sn2'—Co1 122 (3) C42'—Sn5'—Co2 107 (4)
C19'—Sn2'—Co1 105 (3) C43'—Sn5'—Co2 112 (4)
Sn2'—C18'—H18D 109.5 Sn5'—C41'—H41D 109.5
Sn2'—C18'—H18E 109.5 Sn5'—C41'—H41E 109.5
H18D—C18'—H18E 109.5 H41D—C41'—H41E 109.5
Sn2'—C18'—H18F 109.5 Sn5'—C41'—H41F 109.5
H18D—C18'—H18F 109.5 H41D—C41'—H41F 109.5
H18E—C18'—H18F 109.5 H41E—C41'—H41F 109.5
Sn2'—C19'—H19D 109.5 Sn5'—C42'—H42D 109.5
Sn2'—C19'—H19E 109.5 Sn5'—C42'—H42E 109.5
H19D—C19'—H19E 109.5 H42D—C42'—H42E 109.5
Sn2'—C19'—H19F 109.5 Sn5'—C42'—H42F 109.5
H19D—C19'—H19F 109.5 H42D—C42'—H42F 109.5
H19E—C19'—H19F 109.5 H42E—C42'—H42F 109.5
Sn2'—C20'—H20D 109.5 Sn5'—C43'—H43D 109.5
Sn2'—C20'—H20E 109.5 Sn5'—C43'—H43E 109.5
H20D—C20'—H20E 109.5 H43D—C43'—H43E 109.5
Sn2'—C20'—H20F 109.5 Sn5'—C43'—H43F 109.5
H20D—C20'—H20F 109.5 H43D—C43'—H43F 109.5
H20E—C20'—H20F 109.5 H43E—C43'—H43F 109.5
C23'—Sn3'—C21' 105.8 (5) C44'—Sn6'—C45' 99.8 (5)
C23'—Sn3'—C22' 106.6 (5) C44'—Sn6'—C46' 107.4 (5)
C21'—Sn3'—C22' 100.4 (4) C45'—Sn6'—C46' 106.1 (5)
C23'—Sn3'—Co1 108 (2) C44'—Sn6'—Co2 126 (4)
C21'—Sn3'—Co1 133 (2) C45'—Sn6'—Co2 110 (4)
C22'—Sn3'—Co1 99 (2) C46'—Sn6'—Co2 106 (4)
Sn3'—C21'—H21D 109.5 Sn6'—C44'—H44D 109.5
Sn3'—C21'—H21E 109.5 Sn6'—C44'—H44E 109.5
H21D—C21'—H21E 109.5 H44D—C44'—H44E 109.5
Sn3'—C21'—H21F 109.5 Sn6'—C44'—H44F 109.5
H21D—C21'—H21F 109.5 H44D—C44'—H44F 109.5
H21E—C21'—H21F 109.5 H44E—C44'—H44F 109.5
Sn3'—C22'—H22D 109.5 Sn6'—C45'—H45D 109.5
Sn3'—C22'—H22E 109.5 Sn6'—C45'—H45E 109.5
H22D—C22'—H22E 109.5 H45D—C45'—H45E 109.5
Sn3'—C22'—H22F 109.5 Sn6'—C45'—H45F 109.5
H22D—C22'—H22F 109.5 H45D—C45'—H45F 109.5
H22E—C22'—H22F 109.5 H45E—C45'—H45F 109.5
Sn3'—C23'—H23D 109.5 Sn6'—C46'—H46D 109.5
Sn3'—C23'—H23E 109.5 Sn6'—C46'—H46E 109.5
H23D—C23'—H23E 109.5 H46D—C46'—H46E 109.5
Sn3'—C23'—H23F 109.5 Sn6'—C46'—H46F 109.5
H23D—C23'—H23F 109.5 H46D—C46'—H46F 109.5
H23E—C23'—H23F 109.5 H46E—C46'—H46F 109.5
C11—C1—C2—C3 7.7 (7) C34—C24—C25—C26 9.7 (7)
Co1—C1—C2—C3 −52.9 (4) Co2—C24—C25—C26 −52.0 (4)
C11—C1—C2—Co1 60.6 (4) C34—C24—C25—Co2 61.7 (4)
C1—C2—C3—C4 −0.2 (7) C24—C25—C26—C27 −2.5 (7)
Co1—C2—C3—C4 −53.4 (4) Co2—C25—C26—C27 −54.4 (4)
C1—C2—C3—Co1 53.2 (4) C24—C25—C26—Co2 51.8 (4)
C2—C3—C4—C12 −6.4 (8) C25—C26—C27—C35 −6.2 (7)
Co1—C3—C4—C12 −59.0 (4) Co2—C26—C27—C35 −59.6 (4)
C2—C3—C4—Co1 52.6 (4) C25—C26—C27—Co2 53.5 (4)
C13—C5—C6—C7 −0.8 (11) C36—C28—C29—C30 0.0 (10)
C5—C6—C7—C8 0.5 (10) C28—C29—C30—C31 −2.0 (10)
C6—C7—C8—C14 0.4 (8) C29—C30—C31—C37 0.5 (9)
C14—C9—C11—C1 177.3 (4) C37—C32—C34—C35 2.0 (7)
C14—C9—C11—C12 −1.0 (7) C37—C32—C34—C24 −178.3 (4)
C14—C9—C11—Co1 91.4 (6) C37—C32—C34—Co2 96.2 (6)
C2—C1—C11—C9 173.3 (4) C25—C24—C34—C32 172.2 (4)
Co1—C1—C11—C9 −129.3 (4) Co2—C24—C34—C32 −129.2 (4)
C2—C1—C11—C12 −8.4 (7) C25—C24—C34—C35 −8.1 (7)
Co1—C1—C11—C12 49.0 (4) Co2—C24—C34—C35 50.4 (4)
C2—C1—C11—Co1 −57.4 (4) C25—C24—C34—Co2 −58.6 (4)
C13—C10—C12—C4 −179.4 (5) C36—C33—C35—C34 0.6 (8)
C13—C10—C12—C11 0.6 (8) C36—C33—C35—C27 178.9 (5)
C13—C10—C12—Co1 −91.6 (7) C36—C33—C35—Co2 −92.0 (6)
C3—C4—C12—C10 −174.6 (5) C32—C34—C35—C33 −2.4 (7)
Co1—C4—C12—C10 129.7 (5) C24—C34—C35—C33 177.9 (4)
C3—C4—C12—C11 5.5 (7) Co2—C34—C35—C33 −135.4 (4)
Co1—C4—C12—C11 −50.2 (4) C32—C34—C35—C27 179.1 (4)
C3—C4—C12—Co1 55.6 (4) C24—C34—C35—C27 −0.5 (6)
C9—C11—C12—C10 0.2 (7) Co2—C34—C35—C27 46.1 (4)
C1—C11—C12—C10 −178.2 (4) C32—C34—C35—Co2 133.0 (4)
Co1—C11—C12—C10 −132.3 (5) C24—C34—C35—Co2 −46.7 (4)
C9—C11—C12—C4 −179.9 (4) C26—C27—C35—C33 −170.7 (5)
C1—C11—C12—C4 1.7 (6) Co2—C27—C35—C33 133.2 (5)
Co1—C11—C12—C4 47.6 (4) C26—C27—C35—C34 7.6 (7)
C9—C11—C12—Co1 132.5 (4) Co2—C27—C35—C34 −48.5 (4)
C1—C11—C12—Co1 −45.9 (4) C26—C27—C35—Co2 56.1 (4)
C12—C10—C13—C5 178.5 (5) C35—C33—C36—C28 −174.8 (5)
C12—C10—C13—C14 −0.5 (8) C35—C33—C36—C37 1.7 (8)
C6—C5—C13—C10 −178.9 (6) C29—C28—C36—C33 179.8 (6)
C6—C5—C13—C14 0.2 (9) C29—C28—C36—C37 3.3 (8)
C11—C9—C14—C8 −179.0 (4) C34—C32—C37—C31 179.4 (5)
C11—C9—C14—C13 1.0 (7) C34—C32—C37—C36 0.2 (7)
C7—C8—C14—C9 179.1 (5) C30—C31—C37—C32 −176.3 (5)
C7—C8—C14—C13 −1.0 (7) C30—C31—C37—C36 2.9 (8)
C10—C13—C14—C9 −0.3 (7) C33—C36—C37—C32 −2.1 (7)
C5—C13—C14—C9 −179.4 (5) C28—C36—C37—C32 174.5 (5)
C10—C13—C14—C8 179.8 (5) C33—C36—C37—C31 178.7 (5)
C5—C13—C14—C8 0.7 (7) C28—C36—C37—C31 −4.7 (7)

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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) I, global. DOI: 10.1107/S1600536814021709/bg2536sup1.cif

e-70-00312-sup1.cif (940.8KB, cif)

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536814021709/bg2536Isup2.hkl

e-70-00312-Isup2.hkl (651KB, hkl)

CCDC reference: 1027247

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


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