[1,1,2,2-(CO)₄-1,2-μ-(CO)-4,11-(SMe₂)₂-closo-1,2-Co₂B₁₀H₈]

The title compound, 1,1,2,2-tetra­carbonyl-1,2-μ-carbonyl-4,11-di­methyl­sulfido-closo-1,2-dicobaltadodecaborane, [Co₂(C₄H₂₀B₁₀S₂)(CO)₅], has a closo 12-vertex {1,2-Co₂B₁₀H₈} structure with SMe₂ ligands at the exo-4- and 11-positions. The cluster displays close structural similarities to the SEt₂ analogue.

S1. Comment

We have interests in developing the chemistry of bis(ligand) `adducts' of decaborane, [6,9-L₂-arachno-B₁₀H₁₂], where L is a two-electron ligand such as a phosphorus, sulfur, or nitrogen base (Crook et al., 1984; Fontaine & Kennedy, 1987; Dörfler et al., 1997, 1998; Londesborough et al., 1999; Plešek et al., 1994). In particular, we have contemporary interest in the incorporation, without the displacement of the two boron-to-ligand bonds, of transition-element centres into the {L₂B₁₀} matrix. This, for example, would introduce the possibility of generating boron-only analogues of the interesting {MC₂B₈} species (Kennedy et al., 1993), and of doping new types of boron-based polymers (Londesborough et al., 1999) with selected metal centres. In this context we note that Hawthorne and colleagues have introduced a bimetallic {Co₂(CO)₅} unit into the [B₁₀H₁₂(SEt₂)₂] molecule by treatment with [Co₂(CO)₈] (Schubert et al., 1988). This reaction gives isomers of [(CO)₅Co₂B₁₀H₈(SEt)₂], with a closed 12-vertex constitution. In order to assess this reaction type and to develop our techniques, we have repeated the reaction, but now using the SMe₂ complex [B₁₀H₁₂(SMe₂)₂] as a starting substrate. Under essentially the same reaction and separatory conditions, we have isolated one of the analogous SMe₂ complexes, [1,1,2,2-(CO)₄-µ-1,2-(CO)-4,11-(SMe₂)₂-closo-1,2-Co₂B₁₀H₈], (I), in ca 7% yield, for which we here report the crystal and molecular structure as established by single-crystal X-ray diffraction analysis. \sch

In terms of the common features of molecular structure, the differences between the two are principally those of B(SMe₂) versus B(SEt₂) rotamer differences. Other dimensions are very comparable, e.g. intercobalt at 2.4913 (4) compared to 2.490 (1) Å in the SEt₂ species, although a detailed comparison is inappropriate because of differences in s.u.'s and different temperatures of data collection. Within the cluster, there are minor differential interboron cluster flexings associated with the sulfur-substituted positions, e.g. distances centred on the substituted B11 and B4 sites are up to ca 0.040 (4) Å shorter than otherwise equivalent distances associated with the unsubstituted B5 and B7 sites. The shortening is mimicked by variations in the cobalt-boron distances, e.g. Co1—B4 2.116 (3) Å with Co1—B5 some 0.05 Å longer at 2.169 (3) Å.

There is an interesting aspect of the cluster constitution of [(CO)₅Co₂B₁₀H₈(SMe₂)₂] that warrants comment. Although it has a closed icosahedral {Co₂B₁₀} skeleton that merits the classical closo geometrical descriptor, the cluster is not in complete accord with the useful Williams-Wade closo/nido/arachno paradigm which classifies and relates geometry and cluster electron-count in boron-containing cluster compounds (Williams, 1976; Wade, 1976). Using an isolobal vertex-replacement model in conjunction with the regular icosahedral [closo-B₁₂H₁₂]²⁻ exemplar, two neutral {B(SMe₂)} vertices would formally compensate for two anionic {BH}⁻ vertices, leaving the {Co₂(CO)₅} unit to compensate for two neutral {BH} vertices. Since a neutral {BH} unit is a two-electron cluster contributor (Wade, 1976), this would imply that each cobalt vertex also contributes two electrons which would in turn imply two cobalt(II) centres. The compound, however, is not paramagnetic. A direct intercobalt bond must therefore be additionally invoked. This is in accord with the intercobalt distance of 2.49 Å, which is in the range generally taken to be indicative of a direct Co—Co bond, e.g. compare 2.47 Å in [Co₂(CO)₈] (Sumner et al., 1964) and 2.51 Å in cobalt metal. Since the intercobalt vector is part of the icosahedral cluster, then the two electrons in the intercobalt bond constitute part of the cluster electron-count, which would thereby total 14 electron pairs, corresponding to a formal nido electron-count, rather than the 13 electron pairs that would be classically associated with the twelve-vertex closo structure. The 14 pairs would thereby constitute a count in excess of closo − a 'hyper'-closo count, as it were (Kennedy, 1998). This interesting apparent paradox is closely related to the one encountered with similar intermetallic bonding in the ten-vertex 'isocloso'-structured species [1,6-(η₅-C₅H₅)₂-1,6,2,3-Fe₂C₂B₆H₈] (Callahan et al., 1975), in which conventional electron-counting would dictate a 10-electron-pair sub-closo count − a 'hypo'-closo count. In the Callahan structure, the electron pair in the additional intracluster Fe—Fe bond (Nishimura, 1978) would engender an 11-electron-pair count, which is classically associated with ten-vertex closo. Most recently in this general area, the relationship between intermetallic bonding and anomalous cluster electron-count has been discussed by Fehlner and co-workers in the context of metallaborane clusters that are rich in metal atoms, as in 'cubane' species such as [(C₅Me₅)₃Ru₃B₃H₃Co(CO)₃] (Lei et al., 2000)

S2. Experimental

The title compound was prepared essentially according to the published method for the SEt₂ analogue (Schubert et al., 1988). Single crystals were obtained from hexane diffusion into a methylene chloride solution of the compound.

S3. Refinement

Cluster hydrogen atoms were located via Fourier difference syntheses and positional and isotropic displacement parameters were freely refined. Methyl hydogen atoms were included in calculated positions with a refined rotational parameter for each methyl group and isotropic displacement parameters of 1.2 × U_eq of the parent carbon atom.

Computing details

Data collection: COLLECT (Nonius, 1999); cell refinement: DENZO-SMN (Otwinowski & Minor, 1996); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEX (McArdle, 1995); software used to prepare material for publication: local program.

Figures

Fig. 1. Perspective view of a single molecule of (I) drawn with 40% probability ellipsoids and with H atoms shown as small circles of arbitrary radius for clarity.

(I)

Crystal data

[Co2(C4H20B10S2)(CO)5]	F(000) = 2000
Mr = 498.33	Dx = 1.612 Mg m^−3
Orthorhombic, Pbca	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2ab	Cell parameters from 52070 reflections
a = 12.2978 (2) Å	θ = 2.0–27.5°
b = 10.9183 (2) Å	µ = 1.84 mm^−1
c = 30.5900 (5) Å	T = 150 K
V = 4107.35 (12) Å^3	Prism, yellow
Z = 8	0.21 × 0.18 × 0.15 mm

Data collection

Nonius KappaCCD area detector diffractometer	4029 independent reflections
Radiation source: fine-focus sealed tube	3276 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.077
Detector resolution: 9.091 pixels mm^-1	θmax = 26.0°, θmin = 2.6°
Standard procedure using manufacturer's proprietary software (Nonius, 1999) scans	h = −13→15
Absorption correction: multi-scan (Blessing, 1995)	k = −13→13
Tmin = 0.699, Tmax = 0.770	l = −37→34
48902 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.032	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.061	H atoms treated by a mixture of independent and constrained refinement
S = 1.03	w = 1/[σ^2(Fo^2) + (0.0223P)^2 + 2.5684P] where P = (Fo^2 + 2Fc^2)/3
4029 reflections	(Δ/σ)max = 0.001
289 parameters	Δρmax = 0.35 e Å^−3
0 restraints	Δρmin = −0.48 e Å^−3

Special details

Experimental. PLEASE NOTE cell_measurement_ fields are not relevant to area detector data, the entire data set is used to refine the cell, which is indexed from all observed reflections in a 15 degree ϕ range.

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. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	Uiso*/Ueq
C1	0.35668 (18)	1.0212 (2)	0.39580 (8)	0.0272 (5)
O1	0.35485 (15)	1.11975 (17)	0.40828 (6)	0.0402 (5)
C2	0.22946 (19)	0.8491 (2)	0.36032 (7)	0.0245 (5)
O2	0.14119 (14)	0.83781 (16)	0.34948 (6)	0.0362 (4)
C3	0.33605 (19)	0.7968 (2)	0.43302 (8)	0.0257 (5)
O3	0.27170 (14)	0.80175 (16)	0.46119 (5)	0.0356 (4)
C4	0.4341 (2)	0.5674 (2)	0.43773 (8)	0.0318 (6)
O4	0.41512 (18)	0.46958 (19)	0.44851 (7)	0.0551 (6)
C5	0.51677 (19)	0.7693 (2)	0.47358 (8)	0.0274 (5)
O5	0.53917 (15)	0.80634 (19)	0.50700 (6)	0.0471 (5)
Co1	0.36690 (2)	0.86771 (3)	0.377204 (10)	0.02026 (9)
Co2	0.47197 (2)	0.71711 (3)	0.421465 (9)	0.02124 (9)
B3	0.4093 (2)	0.6857 (2)	0.35505 (9)	0.0223 (6)
H3	0.3374 (18)	0.622 (2)	0.3531 (7)	0.021 (6)*
B4	0.4298 (2)	0.8114 (2)	0.31605 (8)	0.0231 (6)
S4	0.32917 (5)	0.82823 (6)	0.268528 (19)	0.02540 (14)
C41	0.2963 (2)	0.9889 (2)	0.26570 (8)	0.0312 (6)
H41A	0.3635	1.0371	0.2659	0.047*
H41B	0.2515	1.0115	0.2909	0.047*
H41C	0.2560	1.0054	0.2387	0.047*
C42	0.4058 (2)	0.8136 (3)	0.21878 (8)	0.0361 (6)
H42A	0.3584	0.8304	0.1937	0.054*
H42B	0.4346	0.7301	0.2165	0.054*
H42C	0.4662	0.8722	0.2190	0.054*
B5	0.5043 (2)	0.9318 (2)	0.33907 (9)	0.0224 (6)
H5	0.5011 (17)	1.030 (2)	0.3284 (7)	0.021 (6)*
B6	0.5384 (2)	0.8852 (2)	0.39541 (9)	0.0218 (6)
H6	0.5587 (17)	0.957 (2)	0.4203 (7)	0.022 (6)*
B7	0.5470 (2)	0.6263 (2)	0.36645 (9)	0.0228 (6)
H7	0.5599 (17)	0.524 (2)	0.3698 (7)	0.021 (6)*
B8	0.5092 (2)	0.6770 (2)	0.31293 (9)	0.0241 (6)
H8	0.4975 (17)	0.610 (2)	0.2862 (7)	0.026 (6)*
B9	0.5695 (2)	0.8243 (3)	0.30331 (9)	0.0239 (6)
H9	0.5985 (17)	0.853 (2)	0.2704 (7)	0.025 (6)*
B10	0.6357 (2)	0.8696 (2)	0.35209 (8)	0.0221 (6)
H10	0.7092 (17)	0.928 (2)	0.3530 (7)	0.020 (6)*
B11	0.6221 (2)	0.7471 (2)	0.38962 (9)	0.0222 (6)
S11	0.74213 (5)	0.73040 (5)	0.429120 (18)	0.02368 (14)
C111	0.7359 (2)	0.5740 (2)	0.44757 (8)	0.0299 (6)
H11A	0.7313	0.5192	0.4223	0.045*
H11B	0.6716	0.5628	0.4661	0.045*
H11C	0.8015	0.5548	0.4644	0.045*
C112	0.86527 (18)	0.7263 (2)	0.39742 (8)	0.0304 (6)
H11D	0.9271	0.7095	0.4167	0.046*
H11E	0.8759	0.8055	0.3830	0.046*
H11F	0.8599	0.6616	0.3753	0.046*
B12	0.6401 (2)	0.7132 (3)	0.33400 (9)	0.0243 (6)
H12	0.7094 (18)	0.672 (2)	0.3220 (7)	0.021 (6)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.0220 (13)	0.0314 (15)	0.0282 (13)	0.0038 (11)	−0.0048 (10)	−0.0015 (11)
O1	0.0402 (11)	0.0297 (11)	0.0507 (12)	0.0092 (9)	−0.0122 (9)	−0.0100 (9)
C2	0.0253 (14)	0.0262 (14)	0.0218 (13)	0.0000 (11)	0.0012 (10)	0.0010 (10)
O2	0.0249 (10)	0.0436 (11)	0.0401 (11)	−0.0027 (8)	−0.0059 (8)	0.0024 (8)
C3	0.0254 (13)	0.0272 (14)	0.0246 (13)	0.0012 (11)	−0.0030 (10)	−0.0011 (10)
O3	0.0304 (10)	0.0493 (12)	0.0272 (10)	0.0069 (9)	0.0041 (8)	0.0032 (8)
C4	0.0328 (15)	0.0337 (16)	0.0289 (14)	−0.0005 (12)	0.0036 (11)	0.0028 (11)
O4	0.0701 (15)	0.0358 (13)	0.0595 (14)	−0.0129 (11)	0.0090 (11)	0.0144 (10)
C5	0.0256 (13)	0.0320 (14)	0.0247 (14)	0.0035 (11)	0.0047 (10)	−0.0004 (11)
O5	0.0434 (12)	0.0697 (14)	0.0283 (11)	0.0036 (10)	−0.0039 (9)	−0.0075 (10)
Co1	0.01869 (16)	0.02078 (17)	0.02129 (17)	0.00075 (13)	−0.00073 (12)	−0.00126 (13)
Co2	0.02133 (17)	0.02210 (18)	0.02029 (17)	0.00020 (13)	0.00074 (12)	0.00140 (13)
B3	0.0214 (14)	0.0220 (14)	0.0234 (14)	−0.0001 (12)	0.0000 (10)	−0.0015 (11)
B4	0.0201 (14)	0.0278 (15)	0.0213 (14)	−0.0011 (12)	−0.0027 (10)	0.0001 (11)
S4	0.0238 (3)	0.0299 (3)	0.0225 (3)	−0.0020 (3)	−0.0034 (2)	0.0007 (2)
C41	0.0334 (14)	0.0279 (14)	0.0322 (14)	0.0026 (11)	−0.0031 (11)	0.0058 (11)
C42	0.0350 (15)	0.0530 (17)	0.0204 (13)	0.0021 (13)	−0.0003 (11)	−0.0043 (12)
B5	0.0216 (14)	0.0222 (15)	0.0235 (15)	0.0000 (12)	−0.0022 (11)	0.0004 (11)
B6	0.0208 (14)	0.0206 (14)	0.0241 (15)	−0.0001 (11)	−0.0013 (11)	−0.0009 (11)
B7	0.0216 (14)	0.0214 (15)	0.0254 (15)	0.0014 (11)	0.0004 (10)	0.0002 (11)
B8	0.0243 (14)	0.0245 (15)	0.0235 (15)	−0.0001 (12)	0.0003 (11)	−0.0042 (11)
B9	0.0208 (14)	0.0309 (16)	0.0201 (15)	−0.0015 (12)	0.0009 (11)	−0.0020 (11)
B10	0.0217 (14)	0.0229 (14)	0.0217 (14)	−0.0017 (12)	−0.0004 (11)	0.0012 (11)
B11	0.0208 (14)	0.0238 (15)	0.0219 (14)	0.0008 (11)	−0.0024 (10)	−0.0012 (11)
S11	0.0232 (3)	0.0251 (3)	0.0228 (3)	0.0031 (3)	−0.0014 (2)	−0.0003 (2)
C111	0.0319 (14)	0.0278 (14)	0.0301 (14)	0.0056 (11)	0.0003 (11)	0.0065 (11)
C112	0.0213 (13)	0.0363 (15)	0.0336 (14)	0.0032 (11)	0.0002 (11)	0.0048 (11)
B12	0.0214 (14)	0.0279 (15)	0.0235 (15)	0.0007 (12)	0.0011 (11)	−0.0029 (12)

Geometric parameters (Å, º)

C1—O1	1.142 (3)	B4—B8	1.766 (4)
C1—Co1	1.774 (3)	B4—B9	1.768 (4)
C2—O2	1.142 (3)	B4—S4	1.917 (3)
C2—Co1	1.779 (2)	S4—C42	1.797 (2)
C3—O3	1.171 (3)	S4—C41	1.802 (2)
C3—Co1	1.913 (2)	B5—B9	1.794 (4)
C3—Co2	1.917 (2)	B5—B10	1.798 (4)
C4—O4	1.142 (3)	B5—B6	1.845 (4)
C4—Co2	1.771 (3)	B6—B10	1.794 (4)
C5—O5	1.133 (3)	B6—B11	1.834 (4)
C5—Co2	1.780 (3)	B7—B11	1.759 (4)
Co1—B4	2.116 (3)	B7—B12	1.788 (4)
Co1—B3	2.163 (3)	B7—B8	1.790 (4)
Co1—B5	2.169 (3)	B8—B12	1.779 (4)
Co1—B6	2.189 (3)	B8—B9	1.796 (4)
Co1—Co2	2.4913 (4)	B9—B12	1.763 (4)
Co2—B11	2.113 (3)	B9—B10	1.770 (4)
Co2—B7	2.160 (3)	B10—B11	1.770 (4)
Co2—B6	2.161 (3)	B10—B12	1.795 (4)
Co2—B3	2.200 (3)	B11—B12	1.755 (4)
B3—B8	1.783 (4)	B11—S11	1.916 (3)
B3—B4	1.836 (4)	S11—C112	1.799 (2)
B3—B7	1.847 (4)	S11—C111	1.800 (2)
B4—B5	1.751 (4)
O1—C1—Co1	177.0 (2)	C41—S4—B4	105.94 (12)
O2—C2—Co1	179.6 (2)	B4—B5—B9	59.82 (15)
O3—C3—Co1	140.53 (19)	B4—B5—B10	106.00 (18)
O3—C3—Co2	138.22 (19)	B9—B5—B10	59.05 (14)
Co1—C3—Co2	81.16 (9)	B4—B5—B6	106.68 (18)
O4—C4—Co2	176.5 (2)	B9—B5—B6	106.71 (18)
O5—C5—Co2	175.6 (2)	B10—B5—B6	58.99 (14)
C1—Co1—C2	97.68 (10)	B4—B5—Co1	64.28 (12)
C1—Co1—C3	94.72 (10)	B9—B5—Co1	117.71 (16)
C2—Co1—C3	91.40 (10)	B10—B5—Co1	117.32 (16)
C1—Co1—B4	125.74 (11)	B6—B5—Co1	65.51 (11)
C2—Co1—B4	93.28 (10)	B10—B6—B11	58.40 (14)
C3—Co1—B4	138.07 (10)	B10—B6—B5	59.18 (14)
C1—Co1—B3	170.12 (10)	B11—B6—B5	105.32 (18)
C2—Co1—B3	91.89 (10)	B10—B6—Co2	116.36 (16)
C3—Co1—B3	87.44 (10)	B11—B6—Co2	63.24 (12)
B4—Co1—B3	50.79 (10)	B5—B6—Co2	119.56 (15)
C1—Co1—B5	85.57 (10)	B10—B6—Co1	116.53 (15)
C2—Co1—B5	128.38 (10)	B11—B6—Co1	116.40 (15)
C3—Co1—B5	139.91 (10)	B5—B6—Co1	64.40 (11)
B4—Co1—B5	48.23 (10)	Co2—B6—Co1	69.88 (8)
B3—Co1—B5	86.58 (10)	B11—B7—B12	59.31 (15)
C1—Co1—B6	84.52 (10)	B11—B7—B8	105.87 (19)
C2—Co1—B6	177.31 (10)	B12—B7—B8	59.64 (15)
C3—Co1—B6	89.96 (10)	B11—B7—B3	107.13 (18)
B4—Co1—B6	84.17 (10)	B12—B7—B3	107.24 (18)
B3—Co1—B6	85.85 (10)	B8—B7—B3	58.71 (14)
B5—Co1—B6	50.09 (10)	B11—B7—Co2	64.30 (12)
C1—Co1—Co2	119.08 (7)	B12—B7—Co2	117.55 (16)
C2—Co1—Co2	125.11 (8)	B8—B7—Co2	117.40 (16)
C3—Co1—Co2	49.50 (7)	B3—B7—Co2	66.06 (12)
B4—Co1—Co2	95.69 (7)	B4—B8—B12	107.23 (19)
B3—Co1—Co2	55.87 (7)	B4—B8—B3	62.29 (15)
B5—Co1—Co2	95.81 (7)	B12—B8—B3	110.48 (19)
B6—Co1—Co2	54.53 (7)	B4—B8—B7	110.55 (18)
C4—Co2—C5	97.20 (11)	B12—B8—B7	60.14 (15)
C4—Co2—C3	97.90 (11)	B3—B8—B7	62.25 (15)
C5—Co2—C3	87.68 (10)	B4—B8—B9	59.53 (15)
C4—Co2—B11	120.17 (11)	B12—B8—B9	59.07 (15)
C5—Co2—B11	95.32 (10)	B3—B8—B9	110.79 (19)
C3—Co2—B11	140.94 (10)	B7—B8—B9	108.62 (18)
C4—Co2—B7	84.71 (11)	B12—B9—B4	107.84 (19)
C5—Co2—B7	135.43 (10)	B12—B9—B10	61.08 (15)
C3—Co2—B7	136.40 (10)	B4—B9—B10	106.47 (18)
B11—Co2—B7	48.60 (10)	B12—B9—B5	110.23 (19)
C4—Co2—B6	170.70 (11)	B4—B9—B5	58.90 (15)
C5—Co2—B6	86.64 (11)	B10—B9—B5	60.58 (14)
C3—Co2—B6	90.69 (10)	B12—B9—B8	59.98 (15)
B11—Co2—B6	50.82 (10)	B4—B9—B8	59.38 (15)
B7—Co2—B6	86.61 (10)	B10—B9—B8	107.57 (19)
C4—Co2—B3	91.34 (11)	B5—B9—B8	107.56 (18)
C5—Co2—B3	170.15 (11)	B9—B10—B11	107.01 (19)
C3—Co2—B3	86.29 (10)	B9—B10—B6	110.02 (18)
B11—Co2—B3	84.53 (10)	B11—B10—B6	61.94 (15)
B7—Co2—B3	50.11 (9)	B9—B10—B12	59.26 (15)
B6—Co2—B3	85.65 (10)	B11—B10—B12	58.98 (14)
C4—Co2—Co1	128.71 (8)	B6—B10—B12	109.77 (18)
C5—Co2—Co1	115.83 (8)	B9—B10—B5	60.37 (15)
C3—Co2—Co1	49.35 (7)	B11—B10—B5	110.14 (18)
B11—Co2—Co1	95.76 (7)	B6—B10—B5	61.83 (15)
B7—Co2—Co1	95.80 (7)	B12—B10—B5	108.58 (18)
B6—Co2—Co1	55.59 (7)	B12—B11—B7	61.18 (15)
B3—Co2—Co1	54.49 (7)	B12—B11—B10	61.21 (15)
B8—B3—B4	58.38 (14)	B7—B11—B10	110.76 (19)
B8—B3—B7	59.04 (14)	B12—B11—B6	109.73 (19)
B4—B3—B7	105.02 (17)	B7—B11—B6	111.11 (18)
B8—B3—Co1	116.20 (16)	B10—B11—B6	59.66 (14)
B4—B3—Co1	63.26 (12)	B12—B11—S11	119.59 (17)
B7—B3—Co1	118.96 (15)	B7—B11—S11	125.96 (17)
B8—B3—Co2	115.73 (16)	B10—B11—S11	114.08 (16)
B4—B3—Co2	115.83 (15)	B6—B11—S11	116.74 (16)
B7—B3—Co2	63.82 (11)	B12—B11—Co2	121.65 (16)
Co1—B3—Co2	69.63 (8)	B7—B11—Co2	67.10 (12)
B5—B4—B8	110.87 (19)	B10—B11—Co2	119.91 (16)
B5—B4—B9	61.28 (15)	B6—B11—Co2	65.94 (12)
B8—B4—B9	61.10 (15)	S11—B11—Co2	111.57 (13)
B5—B4—B3	111.82 (18)	C112—S11—C111	100.42 (12)
B8—B4—B3	59.33 (15)	C112—S11—B11	108.12 (11)
B9—B4—B3	109.66 (18)	C111—S11—B11	104.80 (12)
B5—B4—S4	124.78 (17)	B11—B12—B9	108.01 (19)
B8—B4—S4	113.32 (16)	B11—B12—B8	106.48 (19)
B9—B4—S4	116.90 (16)	B9—B12—B8	60.95 (15)
B3—B4—S4	118.43 (16)	B11—B12—B7	59.51 (15)
B5—B4—Co1	67.49 (13)	B9—B12—B7	110.20 (19)
B8—B4—Co1	119.45 (16)	B8—B12—B7	60.22 (15)
B9—B4—Co1	121.78 (16)	B11—B12—B10	59.81 (14)
B3—B4—Co1	65.95 (12)	B9—B12—B10	59.66 (15)
S4—B4—Co1	114.00 (13)	B8—B12—B10	107.21 (19)
C42—S4—C41	99.42 (12)	B7—B12—B10	108.30 (18)
C42—S4—B4	107.17 (12)