Synthesis and crystal structures of the racemic and meso forms of [1-{1'-4'-cyclo­penta­dienyl-4'-cobalta-1',12'-dicarba-closo-dodeca­boranyl(10)}-4-cyclo­penta­dienyl-4-cobalta-1,12-dicarba-closo-dodeca­borane(10)], the former as its tetra­hydro­furan disolvate

Both rac-[1-(1'-4'-Cp-4',1',12'-closo-CoC₂B₁₀H₁₁)-4-Cp-4,1,12-closo-CoC₂B₁₀H₁₁]·2THF (Cp is cyclo­penta­dienyl and THF is tetra­hydro­furan) or [Co₂(C₅H₅)₂(C₄H₂₂B₂₀)]·2C₄H₈O, (1), and meso-[1-(1'-4'-Cp-4',1',12'-closo-CoC₂B₁₀H₁₁)-4-Cp-4,1,12-closo-CoC₂B₁₀H₁₁] or [Co₂(C₅H₅)₂(C₄H₂₂B₂₀)], (2), were prepared by thermolysis of a rac/meso mixture of the precursor species [1-(1'-4'-Cp-4',1',6'-closo-CoC₂B₁₀H₁₁)-4-Cp-4,1,6-closo-CoC₂B₁₀H₁₁] and were separated, spectroscopically characterized and studied crystallographically. Cage C-atom identification was accomplished by both the vertex-to-centroid distance and boron-hydrogen distance methods, and, in both cases, the structure established crystallographically is fully consistent with the spectroscopic data. Both the rac-(1) and meso-(2) forms share the same overall conformation (Co-C-C'-Co' ca 136°) and show clear evidence of intra­molecular steric crowding resulting in tilted cyclo­penta­dienyl ligands.

S1. Introduction

Whilst the chemistry of single-cage carboranes is now a mature subject (Grimes, 2011), that of bis­(carboranes), that is two carborane units connected via a two-centre–two-electron bond, is relatively underdeveloped. The simplest bis­(carborane), namely 1,1'-bis­(ortho-carborane), formally [1-(1'-1',2'-closo-C₂B₁₀H₁₁)-1,2-closo-C₂B₁₀H₁₁)] (Wiesboeck & Hawthorne, 1964), consists of two ortho-carborane cages linked by a C1—C1' bond (Man et al., 2014). Some chemistry of 1,1'-bis­(ortho-carborane) has been reported (e.g. Hawthorne & Owen, 1971; Hawthorne, Dunks & McKown, 1971; Hawthorne, Owen & Wiggins, 1971; Yanovsky et al., 1979; Doi et al., 1984; Long et al., 1984; Behnken et al., 1985; Getman et al., 1990, 1992; Harwell et al., 1997; Ellis et al., 2010a; Thiripuranathar et al., 2015; Yao et al., 2015; Martin et al., 2015), but only one of these reports (Ellis et al., 2010a) is concerned with expansion of (one of) the cages to 13 vertices.

In 2010, we reported the expansion of both cages of 1,1'-bis­(ortho-carborane) with {CpCo} fragments to afford rac and meso diastereoisomers of the 13-vertex–13-vertex species [1-(1'-4'-Cp-4',1',6'-closo-CoC₂B₁₀H₁₁)-4-Cp-4,1,6-closo-CoC₂B₁₀H₁₁)] (Ellis et al., 2010b), mirroring the expansion of [1,2-closo-C₂B₁₀H₁₂] to the first 13-vertex heteroborane, [4-Cp-4,1,6-closo-CoC₂B₁₀H₁₂] (Hawthorne, Dunks & McKown, 1971). It is well established that [4-Cp-4,1,6-closo-CoC₂B₁₀H₁₂] can be progressively thermolysed to its 4,1,8- and ultimately 4,1,12- isomeric analogues (Dustin et al., 1973). In the present communication, we report the isomerization of a rac and meso mixture of [1-(1'-4'-Cp-4',1',6'-closo-CoC₂B₁₀H₁₁)-4-Cp-4,1,6-closo-CoC₂B₁₀H₁₁)] at high temperature to afford a mixture of the respective 4,1,12-isomers, specifically rac-[1-(1'-4'-Cp-4',1',12'-closo-CoC₂B₁₀H₁₁)-4-Cp-4,1,12-closo-CoC₂B₁₀H₁₁)].2THF, (1), and meso-[1-(1'-4'-Cp-4',1',12'-closo-CoC₂B₁₀H₁₁)-4-Cp-4,1,12-closo-CoC₂B₁₀H₁₁)], (2), followed by separation and spectroscopic and structural characterization.

S2. Experimental

S2.1. Synthesis and crystallization

Rac- and meso-[1-(1'-4'-Cp-4',1',12'-closo-CoC₂B₁₀H₁₁)-4-Cp-4,1,12-closo-CoC₂B₁₀H₁₁)] were synthesised as a mixture of products by heating under a nitro­gen atmosphere a 1:1 rac- and meso- mixture of [1-(1'-4'-Cp-4',1',6'-closo-CoC₂B₁₀H₁₁)-4-Cp-4,1,6-closo-CoC₂B₁₀H₁₁)] (Ellis et al., 2010b) in xylenes at 453 K for 4 h. The products were separated by thin-layer chromatography (TLC) on silica using an eluent of CH₂Cl₂–petroleum ether (b.p. 313–333 K) (1:4 v/v), yielding rac form (1) (R_F = 0.62, 36% yield) and meso form (2) (R_F = 0.53, 32% yield) as orange bands. Elemental analysis for C₁₄H₃₂B₂₀Co₂ requires: C 31.4, H 6.03%; found for (1): C 31.5, H 6.08%; found for (2): C 30.6, H 6.15%. Single crystals were afforded by vapour diffusion of petroleum ether (b.p. 313–333 K) into THF solutions of the compounds at room temperature.

S2.2. Characterization

Electron ionisation mass spectrometry for both (1) and (2) envelopes centred on m/z 534 (M⁺). NMR spectroscopy (Bruker DPX-400 spectrometer, CDCl₃ solutions, 293 K): for (1), ¹H NMR δ: 5.34 (s, 10H, C₅H₅), 3.37 (br s, 2H, C_cageH). ¹¹B{¹H} NMR: δ 8.1 (4B), 3.0 (4B), -3.8 (2B), -7.1 (2B), -8.3 (2B), -9.4 (2B), -15.2 (2B), -16.8 (2B); for (2), ¹H NMR: 5.41 (s, 5H, C₅H₅), 5.34 (s, 5H, C₅H₅), 3.35 (br s, 1H, C_cageH), 3.27 (br s, 1H, C_cageH). ¹¹B{¹H} NMR: 8.0 (5B), 3.2 (3B), -3.8 (2B), -7.0 (2B), -7.9 (2B), -9.4 (2B), -15.2 (2B), -16.6 (2B).

S2.3. Refinement

Crystal data, data collection and structure refinement details are summarized in Table 1. Both structures were solved without problems, and two molecules of (partially disordered) THF of solvation were located in the crystal of rac form (1). Initially, only the linking atoms C1 and C1' were identified as carbon, with all other C or B cage atoms described as boron and with cage H atoms allowed positional refinement. This model (the Prostructure) was refined and then analysed by both the vertex-to-centroid distance (VCD) method (McAnaw et al., 2013) and the boron–hydrogen distance (BHD) method (McAnaw et al., 2014) methods. For both determinations, both methods led to the same conclusion regarding the location of the second C atoms in each cage, unambiguously found to be at vertices 12 and 12'. Refinement was completed with cage H atoms continuing to be refined positionally but with other H atoms riding on their bound C atom [C—H = 1.00 (C₅H₅) and 0.99 Å (THF)] and with U_iso(H) = 1.2U_eq(C,B). For (1), both molecules of THF of solvation are partially disordered. For the molecule including atom O1S, one β-C atom is disordered over two positions [atom C4S with a site-occupation factor (SOF) of 0.62 (2) and atom C8 with an SOF of 0.38 (2)], whilst for the molecule including atom O1A, one α-C atom and the adjacent β-C atom are disordered [atoms C5A and C4B with SOFs of 0.802 (11); and atoms C5B and C4A with SOFs of 0.198 (11)]. The same distance restraints with a standard uncertainty of 0.02 Å were applied to the THF C—C distances, and rigid-bond restraints (standard deviation = 0.01 Ų) were applied to atoms C4A, C4B, C3A, C5B and C5A and similarity displacement parameter restraints (standard deviation 0.04 Ų) restraints applied to atoms C4B, C4A, C5A and C5B.

S3. Results and discussion

Heating a rac and meso mixture of [1-(1'-4'-Cp-4',1',6'-closo-CoC₂B₁₀H₁₁)-4-Cp-4,1,6-closo-CoC₂B₁₀H₁₁)] at 453 K for 4 h affords a rac and meso mixture of the isomerized species [1-(1'-4'-Cp-4',1',12'-closo-CoC₂B₁₀H₁₁)-4-Cp-4,1,12-closo-CoC₂B₁₀H₁₁)], from which the pure compounds (1) (rac form) and (2) (meso form) can be isolated by thin-layer chromatography (TLC). The compound [1-(1'-4'-Cp-4',1',12'-closo-CoC₂B₁₀H₁₁)-4-Cp-4,1,12-closo-CoC₂B₁₀H₁₁)] is composed of two {4-Cp-4,1,12-closo-CoC₂B₁₀H₁₁} cages linked by a C1—C1' bond. In both (1) and (2), there is one [(CpCoC₂B₁₀H₁₁)₂] molecule in the asymmetric fraction of the unit cell, but whilst crystals of meso form (2) are solvent-free, rac form (1) crystallizes with two molecules of THF of solvation, both of which are partially disordered. Figs. 1 and 2 show perspective views of molecules (1) and (2), respectively, and include the atom-numbering schemes.

In both (1) and (2), the geometry of the 13-vertex CoC₂B₁₀ cages is docosahedral, as was established for the archetypal 13-vertex metallacarborane [4-Cp-4,1,6-closo-CoC₂B₁₀H₁₂] (Churchill & DeBoer, 1972). In the docosahedron are one degree-4 vertex [position 1, occupied by C atoms in (1) and (2)] and two degree-6 vertices [4 and 5, the former occupied by the Co atoms in (1) and (2)]. All other cage vertices are degree-5. In principle, there are seven possible isomers of a 4,1,x-MC₂B₁₀ docosahedron, where x could be 2, 5, 6, 8, 10, 11 or 12, and examples of all of these are currently known, with the exception of the 4,1,5-isomer. Since (1) and (2) were afforded by thermolysis of [1-(1'-4'-Cp-4',1',6'-closo-CoC₂B₁₀H₁₁)-4-Cp-4,1,6-closo-CoC₂B₁₀H₁₁)], we expected that in each cage the second C atom would be at either vertices 8 or 12 (or a combination thereof), based on literature precedent (Dustin et al., 1973), but we have sought to locate the second C atom (and thereby correctly define the isomer) without prejudice by using both the vertex-to-centroid distance (VCD) method (McAnaw et al., 2013) and the boron–hydrogen distance (BHD) analysis (McAnaw et al., 2014). For this, only the linking atoms C1 and C1' were identified as carbon, with all other cage atoms (except Co) described as boron and with H atoms allowed positional refinement. This afforded the Prostructure. Vertex-to-centroid distances were compared for topologically-equivalent vertices within each cage of the Prostructure and very clearly show (Table 2, left-hand non-italicized entries) that the second C atom is at vertex 12 (or 12') in all cases (VCD from 12 shorter than VCD from 13 by >0.15 Å in all cases). This conclusion was fully supported by the BHD analysis (Table 3) which reveals artificially short distances from vertex 12 to H in every case.

Note that in both (1) and (2) a small, but consistent, difference exists between VCDs from the topologically equivalent atoms B10 and B11 (VCD₁₀ – VCD₁₁ = 0.05–0.06 Å); however, any suggestion that vertices 11 are the locations of the C atoms in (1) and (2) is easily refuted by the BHDs, highlighting the importance of using both methods of cage C identification whenever possible. Nevertheless, the consistency of the difference in VCDs from B10 and B11 merits further consideration. Initially, we wondered if it was an artefact of the way we define the polyhedral centroid for docosahedral MC₂B₁₀ species, excluding the metal at vertex 4 and, for balance, the anti­podal atom at vertex 11 (McAnaw et al., 2013). To test this we redefined the centroids in (1) and (2) excluding not only the atoms at vertices 4 and 11 but also those at 5 and 10, hence restoring the effective C_2v (mm2) symmetry of the remaining fragment (vertices 1, 2, 3, 6, 7, 8, 9, 12 and 13). This procedure affords the right-hand italicized entries in Table 2. The difference in VCDs from B10 and B11 has barely changed, if anything slightly increasing. We therefore ascribe the phenomenon to the differing positions of B10 and B11 in the polyhedron, B10 lying anti­podal to B5 and B11 lying anti­podal to Co4. There are 12 examples of crystallographically-characterized 4,1,12-MC₂B₁₀ species in the Cambridge Structural Database (CSD; Version 5.35; Groom & Allen, 2014), of which the metallacarborane cage is ordered in seven. In Table 4 are presented VCD analysis of these ordered structures. In all cases, we also observe that VCD₁₁ is shorter than VCD₁₀ (D ca 0.06–0.08 Å). Note that in one case (CSD refcode YALKUS; [4-dppe-4,1,12-closo-NiC₂B₁₀H₁₂]; Ellis et al. 2005), the difference between VCDs from 10 and 11 is actually greater than that (0.03 Å) between VCDs from 12 and 13, which likely reflects some disorder of the degree-5 C atom between vertices 12 and 13 (4,1,12-MC₂B₁₀ and 4,1,13-MC₂B₁₀ are simply related as enanti­omers and, uniquely amongst the compounds analysed in Table 4, in YALKUS there are no substituents other than H on the cage C atoms so C12/B13 disorder is not unreasonable).

Having identified the positions of the nonlinking cage C atoms in (1) and (2), we confirm that (1) is the rac form of [1-(1'-4'-Cp-4',1',12'-closo-CoC₂B₁₀H₁₁)-4-Cp-4,1,12-closo-CoC₂B₁₀H₁₁)] and that (2) is the meso form. This is fully consistent with the NMR spectra of (1) and (2). In (1), the two Cp ligands and the two C_cageH atoms are both chemically and magnetically equivalent and so give rise to one resonance each, whereas in (2), they are chemically equivalent but magnetically inequivalent, so there are two Cp and two C_cageH resonances. Moreover, in (1) all the B atoms in the molecule exist pairwise magnetically leading to a 4:4:2:2:2:2:2:2 pattern of resonances (integral-4 resonances representing 2+2 coincidences) whereas in (2) this is not the case and (coincident) resonances integrating to odd-numbers of B atoms are found.

Selected molecular parameters are collected in Table 5. The overall structures of the rac (1) and meso (2) forms of [1-(1'-4'-Cp-4',1',12'-closo-CoC₂B₁₀H₁₁)-4-Cp-4,1,12-closo-CoC₂B₁₀H₁₁)] are remarkably similar both to each other and to those of their precursors [1-(1'-4'-Cp-4',1',6'-closo-CoC₂B₁₀H₁₁)-4-Cp-4,1,6-closo-CoC₂B₁₀H₁₁)] (Ellis et al., 2010b). Thus, the gross conformation, conveniently defined by the torsion angle Co4—C1—C1'—Co4', is 137.13 (13)° in (1) and 134.9 (3)° in (2) (144.8 and 137.9° in the respective precursors). Moreover, intra­molecular crowding is evidenced by both Cp ligands tilting away from the other metallacarborane cluster, qu­anti­fied by the dihedral angle θ between the Cp least-squares plane and that through cage vertices 5, 8, 13, 12 and 9 or their primed equivalents. In (1), θ values are 12.04 (7) and 11.72 (9)° for nonprimed and primed cages, respectively, whilst in (2) the equivalent θ values are 12.1 2) and 11.4 (2)° (11.0–11.4° in the precursor molecules). For comparison, θ values in TEGXOU (Me substituent on C1; McAnaw et al., 2012) and EDIMAG (Ph on C1; Zlatogorsky et al., 2007) are 8.7 and 6.8°, respectively, whilst in the archetypal docosahedral metallacarborane 4-Cp-4,1,6-closo-CoC₂B₁₀H₁₂ (Churchill & DeBoer, 1972), θ is only 4.5°. The intra­molecular crowding in (1) and (2) appears to manifest itself mainly in an increase in θ as there is no appreciable slipping of the {CpCo} fragment towards vertices 6, 7 and 10 relative to these reference structures.

In (1), there is only one significant inter­molecular contact, an hydrogen bond between atoms H41 (a Cp H atom) and O1SA at 2.48 (2) Å (symmetry code: (A) -x+1, -y+1, -z+2); the angle subtended at H41 is 127.8 (5)°, and those at O1S are 125.5 (5) and 115.4 (5)°. In (2), the shortest inter­molecular contact is H12···H12B at 2.29 (8) Å [symmetry code: (B) -x+1, y, -z+3/2).

Computing details

For both compounds, data collection: APEX2 (Bruker, 2009); cell refinement: SAINT (Bruker, 2009); data reduction: SAINT (Bruker, 2009); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2015); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures

	Fig. 1. Perspective view of rac-[1-(1'-4'-Cp-4',1',12'-closo-CoC2B10H11)-4-Cp-4,1,12-closo-CoC2B10H11)], (1), showing the atom numbering and with displacement ellipsoids drawn at the 50% probability level, except for H atoms. Tetrahydrofuran (THF) solvent molecules have been omitted for clarity.
	Fig. 2. Perspective view of meso-[1-(1'-4'-Cp-4',1',12'-closo-CoC2B10H11)-4-Cp-4,1,12-closo-CoC2B10H11)], (2), showing the atom numbering and with displacement ellipsoids drawn at the 50% probability level, except for H atoms.

(1.2THF) rac-[1-{1'-4'-Cyclopentadienyl-4'-cobalta-1',12'-dicarba-closo-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-closo-dodecaborane(10)] tetrahydrofuran disolvate

Crystal data

[Co2(C5H5)2(C4H22B20)]·2C4H8O	Z = 2
Mr = 678.66	F(000) = 700
Triclinic, P1	Dx = 1.364 Mg m^−3
a = 8.9219 (5) Å	Mo Kα radiation, λ = 0.71073 Å
b = 12.4145 (7) Å	Cell parameters from 6227 reflections
c = 15.5650 (9) Å	θ = 2.4–27.0°
α = 89.659 (3)°	µ = 1.03 mm^−1
β = 79.993 (4)°	T = 100 K
γ = 76.920 (3)°	Plate, red
V = 1652.72 (16) Å^3	0.4 × 0.16 × 0.06 mm

Data collection

Bruker APEXII CCD diffractometer	8236 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.058
φ and ω scans	θmax = 32.0°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Bruker, 2008)	h = −13→13
Tmin = 0.669, Tmax = 0.746	k = −18→18
41114 measured reflections	l = −22→23
11163 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.044	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.110	w = 1/[σ^2(Fo^2) + (0.0481P)^2 + 0.3296P] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max = 0.011
11163 reflections	Δρmax = 0.64 e Å^−3
510 parameters	Δρmin = −0.60 e Å^−3
63 restraints

Special details

Experimental. Absorption correction: SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.0680 before and 0.0557 after correction. The Ratio of minimum to maximum transmission is 0.8964. The λ/2 correction factor is 0.0015.

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.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
B2	0.0449 (3)	0.28228 (18)	0.77633 (14)	0.0152 (4)
H2	0.100 (3)	0.3491 (18)	0.7733 (14)	0.018*
B3	0.0139 (2)	0.09990 (17)	0.69019 (15)	0.0138 (4)
C2A	0.3142 (4)	0.6579 (3)	0.7907 (2)	0.0553 (9)
H2AA	0.3759	0.7122	0.7678	0.066*
H2AB	0.2311	0.6601	0.7557	0.066*
H3	0.058 (4)	0.044 (3)	0.632 (2)	0.066*
B5	−0.1241 (2)	0.25828 (18)	0.71417 (15)	0.0154 (4)
H5	−0.156 (3)	0.3110 (18)	0.6645 (14)	0.018*
B6	−0.0221 (3)	0.23547 (19)	0.88286 (15)	0.0191 (4)
H6	0.010 (3)	0.2674 (19)	0.9383 (15)	0.023*
B7	−0.0615 (3)	0.03543 (19)	0.78819 (15)	0.0165 (4)
H7	−0.037 (3)	−0.0545 (18)	0.7795 (15)	0.020*
B8	−0.1945 (3)	0.12437 (18)	0.73190 (15)	0.0160 (4)
H8	−0.257 (3)	0.0956 (18)	0.6841 (14)	0.019*
B9	−0.1583 (3)	0.32133 (19)	0.82681 (16)	0.0195 (4)
H9	−0.206 (3)	0.4108 (19)	0.8473 (15)	0.023*
B10	−0.0720 (3)	0.1026 (2)	0.89046 (15)	0.0188 (4)
H10	−0.068 (3)	0.0647 (18)	0.9519 (15)	0.023*
B11	−0.2825 (3)	0.24274 (19)	0.79682 (16)	0.0197 (5)
H11	−0.402 (3)	0.2904 (18)	0.7944 (15)	0.024*
B13	−0.2421 (3)	0.1100 (2)	0.84438 (16)	0.0195 (5)
H13	−0.333 (3)	0.0745 (19)	0.8763 (15)	0.023*
C1	0.0810 (2)	0.20327 (14)	0.69404 (12)	0.0121 (3)
C8	0.778 (2)	0.6932 (12)	0.8517 (7)	0.074 (5)	0.38 (2)
H8A	0.8881	0.6981	0.8331	0.089*	0.38 (2)
H8B	0.7526	0.6412	0.8115	0.089*	0.38 (2)
C12	−0.2098 (2)	0.22354 (17)	0.89226 (14)	0.0204 (4)
H12	−0.276 (3)	0.2480 (18)	0.9464 (16)	0.024*
C19	0.7479 (4)	0.6587 (2)	0.94564 (19)	0.0507 (8)
H19C	0.7195	0.5860	0.9472	0.061*	0.38 (2)
H19D	0.8448	0.6503	0.9703	0.061*	0.38 (2)
H19A	0.7071	0.6009	0.9199	0.061*	0.62 (2)
H19B	0.8283	0.6232	0.9799	0.061*	0.62 (2)
C41	0.3429 (2)	0.11894 (17)	0.84035 (13)	0.0183 (4)
H41	0.3714	0.1889	0.8556	0.022*
C42	0.3788 (2)	0.06475 (16)	0.75704 (13)	0.0165 (4)
H42	0.4349	0.0915	0.7027	0.020*
C43	0.3165 (2)	−0.03148 (16)	0.76233 (13)	0.0184 (4)
H43	0.3242	−0.0853	0.7133	0.022*
C44	0.2435 (2)	−0.03795 (17)	0.85037 (14)	0.0205 (4)
H44	0.1921	−0.0980	0.8747	0.025*
C45	0.2599 (2)	0.05510 (18)	0.89839 (14)	0.0214 (4)
H45	0.2212	0.0717	0.9622	0.026*
Co4	0.13601 (3)	0.10606 (2)	0.80082 (2)	0.01272 (7)
B2'	0.1498 (2)	0.35832 (16)	0.58893 (14)	0.0129 (4)
H2'	0.056 (3)	0.4167 (17)	0.6265 (14)	0.016*
B3'	0.3172 (2)	0.14416 (16)	0.56242 (14)	0.0123 (4)
H3'	0.328 (2)	0.0586 (17)	0.5819 (14)	0.015*
B5'	0.3527 (2)	0.28200 (17)	0.62246 (15)	0.0136 (4)
H5'	0.365 (3)	0.2861 (17)	0.6887 (14)	0.016*
B6'	0.2202 (3)	0.39777 (16)	0.48002 (15)	0.0140 (4)
H6'	0.158 (3)	0.4660 (17)	0.4546 (14)	0.017*
B7'	0.4066 (2)	0.16336 (17)	0.45156 (14)	0.0130 (4)
H7'	0.443 (3)	0.0845 (17)	0.4114 (14)	0.016*
B8'	0.5031 (2)	0.18367 (17)	0.53901 (14)	0.0138 (4)
H8'	0.602 (3)	0.1209 (17)	0.5589 (14)	0.017*
B9'	0.3186 (3)	0.41639 (17)	0.56546 (15)	0.0143 (4)
H9'	0.312 (3)	0.4948 (17)	0.5908 (14)	0.017*
B10'	0.3501 (3)	0.29417 (17)	0.40554 (15)	0.0145 (4)
H10'	0.361 (3)	0.3077 (17)	0.3363 (15)	0.017*
B11'	0.5016 (3)	0.32354 (17)	0.54717 (15)	0.0147 (4)
H11'	0.586 (3)	0.3500 (17)	0.5671 (14)	0.018*
B13'	0.5316 (3)	0.25481 (17)	0.44259 (15)	0.0157 (4)
H13'	0.638 (3)	0.2424 (17)	0.3965 (15)	0.019*
C1'	0.1832 (2)	0.23426 (14)	0.61333 (12)	0.0109 (3)
C12'	0.4147 (2)	0.38484 (15)	0.46348 (13)	0.0150 (4)
H12'	0.457 (3)	0.4388 (18)	0.4323 (14)	0.018*
C41'	0.0733 (2)	0.11108 (15)	0.44314 (13)	0.0151 (4)
H41'	0.1137	0.0310	0.4533	0.018*
C42'	0.1259 (2)	0.17040 (17)	0.37006 (13)	0.0181 (4)
H42'	0.2089	0.1391	0.3190	0.022*
C43'	0.0364 (2)	0.28183 (17)	0.38123 (13)	0.0200 (4)
H43'	0.0467	0.3424	0.3395	0.024*
C44'	−0.0707 (2)	0.29148 (16)	0.46048 (13)	0.0170 (4)
H44'	−0.1482	0.3601	0.4855	0.020*
C45'	−0.0483 (2)	0.18566 (15)	0.49824 (13)	0.0145 (4)
H45'	−0.1066	0.1676	0.5553	0.017*
Co4'	0.15929 (3)	0.24130 (2)	0.48084 (2)	0.01049 (6)
C3A	0.4191 (5)	0.5420 (3)	0.7870 (2)	0.0618 (10)
H3AB	0.4147	0.4998	0.7341	0.074*	0.802 (11)
H3AA	0.5290	0.5451	0.7872	0.074*	0.802 (11)
H3AD	0.5260	0.5378	0.7542	0.074*	0.198 (11)
H3AC	0.3731	0.4850	0.7643	0.074*	0.198 (11)
C4A	0.412 (2)	0.539 (3)	0.8858 (8)	0.107 (9)	0.198 (11)
H4AA	0.4526	0.4635	0.9047	0.128*	0.198 (11)
H4AB	0.4702	0.5902	0.9061	0.128*	0.198 (11)
C5A	0.2357 (10)	0.5785 (3)	0.9172 (4)	0.074 (2)	0.802 (11)
H5AB	0.1720	0.5385	0.8889	0.089*	0.802 (11)
H5AA	0.2036	0.5824	0.9815	0.089*	0.802 (11)
O1A	0.2486 (3)	0.68214 (16)	0.87972 (15)	0.0689 (8)
C4B	0.3532 (8)	0.4917 (3)	0.8673 (4)	0.067 (2)	0.802 (11)
H4BA	0.4299	0.4295	0.8862	0.081*	0.802 (11)
H4BB	0.2564	0.4680	0.8618	0.081*	0.802 (11)
C5B	0.322 (3)	0.5947 (18)	0.9250 (16)	0.079 (7)	0.198 (11)
H5BA	0.2538	0.5865	0.9809	0.095*	0.198 (11)
H5BB	0.4213	0.6080	0.9378	0.095*	0.198 (11)
C2S	0.5554 (3)	0.8146 (2)	0.94082 (16)	0.0378 (6)
H2SA	0.5326	0.8904	0.9669	0.045*
H2SB	0.4559	0.7980	0.9314	0.045*
C3S	0.6674 (3)	0.8061 (2)	0.85539 (17)	0.0406 (6)
H3SA	0.6279	0.7737	0.8084	0.049*	0.62 (2)
H3SB	0.6856	0.8796	0.8379	0.049*	0.62 (2)
H3SC	0.7261	0.8653	0.8527	0.049*	0.38 (2)
H3SD	0.6101	0.8134	0.8058	0.049*	0.38 (2)
C4S	0.8132 (8)	0.7314 (9)	0.8750 (7)	0.058 (3)	0.62 (2)
H4SA	0.8806	0.7739	0.8974	0.070*	0.62 (2)
H4SB	0.8734	0.6864	0.8227	0.070*	0.62 (2)
O1S	0.6269 (3)	0.73696 (16)	0.99709 (12)	0.0487 (5)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
B2	0.0119 (10)	0.0170 (10)	0.0160 (10)	−0.0023 (8)	−0.0019 (8)	−0.0022 (8)
B3	0.0095 (9)	0.0151 (9)	0.0173 (10)	−0.0036 (7)	−0.0028 (8)	0.0015 (8)
C2A	0.064 (2)	0.0503 (18)	0.0482 (19)	−0.0089 (16)	−0.0056 (16)	0.0178 (15)
B5	0.0110 (9)	0.0160 (9)	0.0180 (10)	−0.0014 (8)	−0.0014 (8)	−0.0010 (8)
B6	0.0159 (11)	0.0239 (11)	0.0160 (11)	−0.0037 (9)	0.0002 (8)	−0.0037 (9)
B7	0.0134 (10)	0.0199 (10)	0.0173 (10)	−0.0064 (8)	−0.0022 (8)	0.0037 (8)
B8	0.0113 (9)	0.0191 (10)	0.0176 (10)	−0.0042 (8)	−0.0017 (8)	0.0017 (8)
B9	0.0154 (11)	0.0212 (11)	0.0195 (11)	−0.0012 (8)	−0.0002 (8)	−0.0034 (9)
B10	0.0138 (10)	0.0262 (11)	0.0158 (11)	−0.0052 (9)	−0.0002 (8)	0.0031 (9)
B11	0.0122 (10)	0.0233 (11)	0.0217 (12)	−0.0024 (8)	0.0003 (8)	−0.0006 (9)
B13	0.0119 (10)	0.0261 (11)	0.0203 (11)	−0.0059 (9)	−0.0002 (8)	0.0027 (9)
C1	0.0089 (8)	0.0120 (8)	0.0143 (9)	−0.0004 (6)	−0.0015 (6)	0.0003 (6)
C8	0.110 (12)	0.063 (8)	0.031 (5)	0.013 (7)	−0.007 (6)	−0.012 (5)
C12	0.0143 (9)	0.0265 (10)	0.0179 (10)	−0.0036 (8)	0.0024 (8)	−0.0029 (8)
C19	0.064 (2)	0.0404 (16)	0.0388 (16)	0.0039 (14)	−0.0071 (15)	−0.0004 (13)
C41	0.0135 (9)	0.0232 (10)	0.0198 (10)	−0.0034 (7)	−0.0079 (7)	0.0003 (8)
C42	0.0086 (8)	0.0205 (9)	0.0197 (10)	−0.0008 (7)	−0.0037 (7)	0.0028 (7)
C43	0.0152 (9)	0.0175 (9)	0.0210 (10)	−0.0004 (7)	−0.0035 (8)	0.0021 (7)
C44	0.0161 (9)	0.0214 (10)	0.0236 (11)	−0.0025 (8)	−0.0053 (8)	0.0084 (8)
C45	0.0161 (10)	0.0307 (11)	0.0164 (10)	−0.0022 (8)	−0.0048 (8)	0.0046 (8)
Co4	0.01003 (12)	0.01549 (12)	0.01270 (13)	−0.00292 (9)	−0.00219 (9)	0.00108 (9)
B2'	0.0103 (9)	0.0114 (9)	0.0168 (10)	−0.0014 (7)	−0.0031 (8)	0.0002 (7)
B3'	0.0102 (9)	0.0105 (8)	0.0163 (10)	−0.0016 (7)	−0.0032 (7)	0.0010 (7)
B5'	0.0117 (9)	0.0120 (9)	0.0178 (10)	−0.0029 (7)	−0.0039 (8)	0.0006 (7)
B6'	0.0136 (10)	0.0099 (9)	0.0194 (10)	−0.0028 (7)	−0.0054 (8)	0.0028 (7)
B7'	0.0102 (9)	0.0126 (9)	0.0157 (10)	−0.0021 (7)	−0.0014 (7)	0.0018 (7)
B8'	0.0096 (9)	0.0137 (9)	0.0174 (10)	−0.0017 (7)	−0.0013 (8)	0.0001 (8)
B9'	0.0138 (10)	0.0094 (8)	0.0206 (11)	−0.0038 (7)	−0.0041 (8)	0.0005 (8)
B10'	0.0131 (10)	0.0132 (9)	0.0181 (10)	−0.0048 (7)	−0.0032 (8)	0.0024 (8)
B11'	0.0128 (10)	0.0139 (9)	0.0198 (11)	−0.0059 (8)	−0.0064 (8)	0.0032 (8)
B13'	0.0128 (10)	0.0142 (9)	0.0197 (11)	−0.0030 (8)	−0.0019 (8)	0.0026 (8)
C1'	0.0087 (8)	0.0114 (7)	0.0136 (8)	−0.0032 (6)	−0.0036 (6)	−0.0002 (6)
C12'	0.0137 (9)	0.0129 (8)	0.0205 (10)	−0.0059 (7)	−0.0047 (7)	0.0031 (7)
C41'	0.0137 (9)	0.0133 (8)	0.0205 (10)	−0.0063 (7)	−0.0042 (7)	−0.0031 (7)
C42'	0.0171 (9)	0.0257 (10)	0.0144 (9)	−0.0098 (8)	−0.0045 (7)	−0.0022 (7)
C43'	0.0219 (10)	0.0229 (10)	0.0214 (10)	−0.0117 (8)	−0.0118 (8)	0.0082 (8)
C44'	0.0139 (9)	0.0167 (9)	0.0225 (10)	−0.0033 (7)	−0.0091 (8)	0.0035 (7)
C45'	0.0117 (8)	0.0160 (8)	0.0177 (9)	−0.0056 (7)	−0.0043 (7)	−0.0004 (7)
Co4'	0.00958 (12)	0.00897 (11)	0.01376 (13)	−0.00277 (9)	−0.00351 (9)	0.00103 (9)
C3A	0.089 (3)	0.0433 (17)	0.0377 (17)	0.0020 (17)	0.0085 (17)	−0.0005 (14)
C4A	0.104 (11)	0.13 (2)	0.061 (8)	0.018 (17)	0.001 (12)	−0.067 (13)
C5A	0.109 (5)	0.0242 (18)	0.057 (3)	0.007 (2)	0.042 (3)	0.0079 (18)
O1A	0.103 (2)	0.0291 (10)	0.0515 (14)	0.0044 (11)	0.0246 (13)	0.0031 (10)
C4B	0.095 (4)	0.030 (2)	0.053 (3)	0.002 (2)	0.029 (3)	0.0030 (18)
C5B	0.062 (14)	0.119 (17)	0.055 (10)	−0.024 (13)	0.000 (10)	−0.053 (12)
C2S	0.0399 (15)	0.0461 (15)	0.0276 (13)	−0.0109 (12)	−0.0057 (11)	0.0096 (11)
C3S	0.0499 (17)	0.0417 (15)	0.0304 (14)	−0.0166 (13)	0.0005 (12)	0.0035 (11)
C4S	0.049 (4)	0.076 (5)	0.036 (4)	−0.001 (3)	0.012 (3)	0.014 (4)
O1S	0.0700 (15)	0.0443 (11)	0.0246 (10)	0.0018 (10)	−0.0084 (9)	0.0022 (8)

Geometric parameters (Å, º)

B2—H2	1.05 (2)	B3'—B5'	2.066 (3)
B2—B5	2.003 (3)	B3'—B7'	1.809 (3)
B2—B6	1.802 (3)	B3'—B8'	1.811 (3)
B2—B9	1.803 (3)	B3'—C1'	1.544 (3)
B2—C1	1.560 (3)	B3'—Co4'	2.211 (2)
B2—Co4	2.210 (2)	B5'—H5'	1.06 (2)
B3—H3	1.11 (3)	B5'—B8'	1.911 (3)
B3—B5	2.067 (3)	B5'—B9'	1.873 (3)
B3—B7	1.814 (3)	B5'—B11'	1.779 (3)
B3—B8	1.815 (3)	B5'—C1'	1.772 (3)
B3—C1	1.539 (3)	B6'—H6'	1.02 (2)
B3—Co4	2.202 (2)	B6'—B9'	1.759 (3)
C2A—H2AA	0.9900	B6'—B10'	1.794 (3)
C2A—H2AB	0.9900	B6'—C12'	1.680 (3)
C2A—C3A	1.524 (4)	B6'—Co4'	2.132 (2)
C2A—O1A	1.413 (4)	B7'—H7'	1.12 (2)
B5—H5	1.05 (2)	B7'—B8'	1.780 (3)
B5—B8	1.908 (3)	B7'—B10'	1.774 (3)
B5—B9	1.871 (3)	B7'—B13'	1.752 (3)
B5—B11	1.783 (3)	B7'—Co4'	2.169 (2)
B5—C1	1.775 (3)	B8'—H8'	1.12 (2)
B6—H6	1.06 (2)	B8'—B11'	1.739 (3)
B6—B9	1.773 (3)	B8'—B13'	1.747 (3)
B6—B10	1.801 (3)	B9'—H9'	1.04 (2)
B6—C12	1.695 (3)	B9'—B11'	1.751 (3)
B6—Co4	2.139 (2)	B9'—C12'	1.671 (3)
B7—H7	1.09 (2)	B10'—H10'	1.08 (2)
B7—B8	1.775 (3)	B10'—B13'	1.776 (3)
B7—B10	1.780 (3)	B10'—C12'	1.703 (3)
B7—B13	1.751 (3)	B10'—Co4'	2.123 (2)
B7—Co4	2.176 (2)	B11'—H11'	0.99 (2)
B8—H8	1.11 (2)	B11'—B13'	1.792 (3)
B8—B11	1.737 (3)	B11'—C12'	1.717 (3)
B8—B13	1.746 (3)	B13'—H13'	1.07 (2)
B9—H9	1.12 (2)	B13'—C12'	1.710 (3)
B9—B11	1.753 (3)	C1'—Co4'	2.1091 (18)
B9—C12	1.673 (3)	C12'—H12'	0.94 (2)
B10—H10	1.07 (2)	C41'—H41'	1.0000
B10—B13	1.773 (3)	C41'—C42'	1.420 (3)
B10—C12	1.709 (3)	C41'—C45'	1.415 (3)
B10—Co4	2.128 (2)	C41'—Co4'	2.0677 (18)
B11—H11	1.10 (2)	C42'—H42'	1.0000
B11—B13	1.789 (3)	C42'—C43'	1.427 (3)
B11—C12	1.716 (3)	C42'—Co4'	2.038 (2)
B13—H13	1.06 (2)	C43'—H43'	1.0000
B13—C12	1.702 (3)	C43'—C44'	1.410 (3)
C1—Co4	2.1099 (17)	C43'—Co4'	2.0471 (19)
C1—C1'	1.521 (2)	C44'—H44'	1.0000
C8—H8A	0.9900	C44'—C45'	1.423 (2)
C8—H8B	0.9900	C44'—Co4'	2.0839 (19)
C8—C19	1.518 (10)	C45'—H45'	1.0000
C8—C3S	1.515 (10)	C45'—Co4'	2.0939 (18)
C12—H12	0.95 (2)	C3A—H3AB	0.9900
C19—H19C	0.9900	C3A—H3AA	0.9900
C19—H19D	0.9900	C3A—H3AD	0.9900
C19—H19A	0.9900	C3A—H3AC	0.9900
C19—H19B	0.9900	C3A—C4A	1.529 (13)
C19—C4S	1.538 (7)	C3A—C4B	1.483 (5)
C19—O1S	1.409 (3)	C4A—H4AA	0.9900
C41—H41	1.0000	C4A—H4AB	0.9900
C41—C42	1.416 (3)	C4A—C5A	1.530 (14)
C41—C45	1.420 (3)	C5A—H5AB	0.9900
C41—Co4	2.0834 (19)	C5A—H5AA	0.9900
C42—H42	1.0000	C5A—O1A	1.430 (5)
C42—C43	1.423 (3)	O1A—C5B	1.39 (3)
C42—Co4	2.0997 (19)	C4B—H4BA	0.9900
C43—H43	1.0000	C4B—H4BB	0.9900
C43—C44	1.422 (3)	C4B—C5B	1.512 (13)
C43—Co4	2.0737 (19)	C5B—H5BA	0.9900
C44—H44	1.0000	C5B—H5BB	0.9900
C44—C45	1.428 (3)	C2S—H2SA	0.9900
C44—Co4	2.0433 (19)	C2S—H2SB	0.9900
C45—H45	1.0000	C2S—C3S	1.507 (3)
C45—Co4	2.045 (2)	C2S—O1S	1.417 (3)
B2'—H2'	1.06 (2)	C3S—H3SA	0.9900
B2'—B5'	1.999 (3)	C3S—H3SB	0.9900
B2'—B6'	1.808 (3)	C3S—H3SC	0.9900
B2'—B9'	1.794 (3)	C3S—H3SD	0.9900
B2'—C1'	1.559 (3)	C3S—C4S	1.494 (7)
B2'—Co4'	2.207 (2)	C4S—H4SA	0.9900
B3'—H3'	1.09 (2)	C4S—H4SB	0.9900
B5—B2—H2	129.3 (12)	B7'—B3'—Co4'	64.39 (9)
B5—B2—Co4	96.17 (11)	B8'—B3'—H3'	113.2 (11)
B6—B2—H2	117.5 (12)	B8'—B3'—B5'	58.60 (11)
B6—B2—B5	99.97 (14)	B8'—B3'—Co4'	108.49 (11)
B6—B2—B9	58.94 (13)	C1'—B3'—H3'	118.4 (11)
B6—B2—Co4	63.47 (10)	C1'—B3'—B5'	56.60 (11)
B9—B2—H2	112.5 (12)	C1'—B3'—B7'	121.48 (15)
B9—B2—B5	58.63 (12)	C1'—B3'—B8'	113.89 (15)
B9—B2—Co4	108.53 (13)	C1'—B3'—Co4'	65.57 (9)
C1—B2—H2	117.7 (12)	Co4'—B3'—H3'	129.1 (12)
C1—B2—B5	58.16 (12)	B2'—B5'—B3'	84.50 (12)
C1—B2—B6	120.70 (16)	B2'—B5'—H5'	118.8 (12)
C1—B2—B9	114.99 (17)	B3'—B5'—H5'	123.9 (11)
C1—B2—Co4	65.43 (10)	B8'—B5'—B2'	118.76 (15)
Co4—B2—H2	129.9 (12)	B8'—B5'—B3'	54.02 (10)
B5—B3—H3	134.7 (16)	B8'—B5'—H5'	121.6 (12)
B5—B3—Co4	94.56 (11)	B9'—B5'—B2'	55.10 (10)
B7—B3—H3	115.5 (16)	B9'—B5'—B3'	118.27 (14)
B7—B3—B5	99.31 (14)	B9'—B5'—H5'	116.5 (11)
B7—B3—B8	58.55 (12)	B9'—B5'—B8'	103.68 (14)
B7—B3—Co4	64.76 (10)	B11'—B5'—B2'	106.18 (13)
B8—B3—H3	116.2 (17)	B11'—B5'—B3'	104.19 (14)
B8—B3—B5	58.44 (11)	B11'—B5'—H5'	114.7 (12)
B8—B3—Co4	108.54 (13)	B11'—B5'—B8'	56.09 (11)
C1—B3—H3	117.2 (17)	B11'—B5'—B9'	57.21 (11)
C1—B3—B5	56.70 (11)	C1'—B5'—B2'	48.37 (9)
C1—B3—B7	121.97 (17)	C1'—B5'—B3'	46.67 (10)
C1—B3—B8	113.84 (16)	C1'—B5'—H5'	110.5 (12)
C1—B3—Co4	65.90 (10)	C1'—B5'—B8'	99.69 (14)
Co4—B3—H3	125.6 (17)	C1'—B5'—B9'	102.00 (13)
H2AA—C2A—H2AB	108.7	C1'—B5'—B11'	134.85 (16)
C3A—C2A—H2AA	110.6	B2'—B6'—H6'	119.3 (12)
C3A—C2A—H2AB	110.6	B2'—B6'—Co4'	67.58 (9)
O1A—C2A—H2AA	110.6	B9'—B6'—B2'	60.39 (12)
O1A—C2A—H2AB	110.6	B9'—B6'—H6'	118.8 (13)
O1A—C2A—C3A	105.8 (2)	B9'—B6'—B10'	107.27 (15)
B2—B5—B3	84.21 (12)	B9'—B6'—Co4'	112.96 (12)
B2—B5—H5	119.5 (13)	B10'—B6'—B2'	118.57 (14)
B3—B5—H5	123.1 (12)	B10'—B6'—H6'	118.1 (12)
B8—B5—B2	118.55 (14)	B10'—B6'—Co4'	64.81 (9)
B8—B5—B3	54.16 (10)	C12'—B6'—B2'	110.81 (15)
B8—B5—H5	121.0 (13)	C12'—B6'—H6'	115.8 (13)
B9—B5—B2	55.33 (12)	C12'—B6'—B9'	58.06 (12)
B9—B5—B3	118.44 (14)	C12'—B6'—B10'	58.59 (12)
B9—B5—H5	117.2 (12)	C12'—B6'—Co4'	112.09 (12)
B9—B5—B8	103.68 (14)	Co4'—B6'—H6'	122.3 (13)
B11—B5—B2	106.34 (15)	B3'—B7'—H7'	112.3 (11)
B11—B5—B3	104.34 (14)	B3'—B7'—Co4'	66.82 (9)
B11—B5—H5	114.7 (12)	B8'—B7'—B3'	60.61 (12)
B11—B5—B8	56.02 (12)	B8'—B7'—H7'	120.8 (11)
B11—B5—B9	57.28 (13)	B8'—B7'—Co4'	111.56 (13)
C1—B5—B2	48.34 (10)	B10'—B7'—B3'	118.30 (15)
C1—B5—B3	46.48 (10)	B10'—B7'—H7'	122.4 (11)
C1—B5—H5	110.3 (12)	B10'—B7'—B8'	107.06 (15)
C1—B5—B8	99.64 (13)	B10'—B7'—Co4'	64.25 (9)
C1—B5—B9	102.26 (15)	B13'—B7'—B3'	114.22 (16)
C1—B5—B11	135.01 (16)	B13'—B7'—H7'	119.4 (11)
B2—B6—H6	119.3 (13)	B13'—B7'—B8'	59.27 (12)
B2—B6—Co4	67.61 (10)	B13'—B7'—B10'	60.51 (12)
B9—B6—B2	60.56 (13)	B13'—B7'—Co4'	114.98 (12)
B9—B6—H6	119.9 (12)	Co4'—B7'—H7'	117.7 (11)
B9—B6—B10	106.80 (17)	B3'—B8'—B5'	67.38 (12)
B9—B6—Co4	112.88 (14)	B3'—B8'—H8'	113.4 (11)
B10—B6—B2	118.44 (17)	B5'—B8'—H8'	121.8 (11)
B10—B6—H6	117.9 (12)	B7'—B8'—B3'	60.50 (12)
B10—B6—Co4	64.71 (10)	B7'—B8'—B5'	106.58 (14)
C12—B6—B2	110.52 (16)	B7'—B8'—H8'	124.4 (11)
C12—B6—H6	116.8 (13)	B11'—B8'—B3'	117.76 (15)
C12—B6—B9	57.62 (13)	B11'—B8'—B5'	58.13 (12)
C12—B6—B10	58.42 (13)	B11'—B8'—B7'	108.20 (14)
C12—B6—Co4	111.73 (14)	B11'—B8'—H8'	119.4 (11)
Co4—B6—H6	121.3 (13)	B11'—B8'—B13'	61.89 (13)
B3—B7—H7	111.8 (12)	B13'—B8'—B3'	114.38 (15)
B3—B7—Co4	66.28 (10)	B13'—B8'—B5'	107.56 (14)
B8—B7—B3	60.75 (12)	B13'—B8'—B7'	59.56 (12)
B8—B7—H7	121.7 (12)	B13'—B8'—H8'	120.9 (11)
B8—B7—B10	106.90 (16)	B2'—B9'—B5'	66.00 (11)
B8—B7—Co4	111.28 (13)	B2'—B9'—H9'	118.9 (12)
B10—B7—B3	117.74 (16)	B5'—B9'—H9'	127.7 (12)
B10—B7—H7	122.7 (12)	B6'—B9'—B2'	61.15 (12)
B10—B7—Co4	64.17 (10)	B6'—B9'—B5'	106.57 (14)
B13—B7—B3	114.20 (16)	B6'—B9'—H9'	121.2 (12)
B13—B7—H7	121.0 (12)	B11'—B9'—B2'	117.04 (14)
B13—B7—B8	59.37 (13)	B11'—B9'—B5'	58.68 (11)
B13—B7—B10	60.28 (13)	B11'—B9'—B6'	108.33 (16)
B13—B7—Co4	114.64 (15)	B11'—B9'—H9'	117.6 (12)
Co4—B7—H7	116.5 (12)	C12'—B9'—B2'	111.94 (15)
B3—B8—B5	67.40 (12)	C12'—B9'—B5'	104.48 (14)
B3—B8—H8	111.4 (12)	C12'—B9'—B6'	58.61 (12)
B5—B8—H8	120.1 (11)	C12'—B9'—H9'	117.4 (12)
B7—B8—B3	60.70 (12)	C12'—B9'—B11'	60.19 (12)
B7—B8—B5	107.07 (15)	B6'—B10'—H10'	118.6 (11)
B7—B8—H8	124.4 (11)	B6'—B10'—Co4'	65.32 (9)
B11—B8—B3	118.06 (16)	B7'—B10'—B6'	114.48 (15)
B11—B8—B5	58.34 (12)	B7'—B10'—H10'	124.5 (11)
B11—B8—B7	108.71 (17)	B7'—B10'—B13'	59.14 (12)
B11—B8—H8	120.0 (11)	B7'—B10'—Co4'	66.94 (9)
B11—B8—B13	61.81 (13)	B13'—B10'—B6'	108.79 (16)
B13—B8—B3	114.37 (16)	B13'—B10'—H10'	114.4 (12)
B13—B8—B5	107.50 (16)	B13'—B10'—Co4'	116.10 (13)
B13—B8—B7	59.62 (13)	C12'—B10'—B6'	57.37 (12)
B13—B8—H8	123.2 (12)	C12'—B10'—B7'	105.92 (15)
B2—B9—B5	66.04 (13)	C12'—B10'—H10'	115.2 (12)
B2—B9—H9	116.5 (12)	C12'—B10'—B13'	58.85 (12)
B5—B9—H9	127.3 (12)	C12'—B10'—Co4'	111.55 (13)
B6—B9—B2	60.50 (13)	Co4'—B10'—H10'	123.5 (12)
B6—B9—B5	106.28 (15)	B5'—B11'—H11'	121.4 (13)
B6—B9—H9	120.3 (12)	B5'—B11'—B13'	111.51 (15)
B11—B9—B2	117.07 (17)	B8'—B11'—B5'	65.78 (12)
B11—B9—B5	58.83 (13)	B8'—B11'—B9'	117.02 (15)
B11—B9—B6	108.44 (17)	B8'—B11'—H11'	122.2 (12)
B11—B9—H9	119.9 (12)	B8'—B11'—B13'	59.27 (12)
C12—B9—B2	111.52 (16)	B9'—B11'—B5'	64.11 (12)
C12—B9—B5	104.36 (16)	B9'—B11'—H11'	115.4 (13)
C12—B9—B6	58.84 (13)	B9'—B11'—B13'	109.29 (15)
C12—B9—H9	119.5 (12)	B13'—B11'—H11'	121.1 (13)
C12—B9—B11	60.07 (13)	C12'—B11'—B5'	106.67 (15)
B6—B10—H10	115.5 (13)	C12'—B11'—B8'	106.21 (15)
B6—B10—Co4	65.34 (10)	C12'—B11'—B9'	57.59 (12)
B7—B10—B6	114.60 (15)	C12'—B11'—H11'	121.4 (12)
B7—B10—H10	126.8 (12)	C12'—B11'—B13'	58.29 (12)
B7—B10—Co4	67.00 (10)	B7'—B13'—B10'	60.36 (12)
B13—B10—B6	108.76 (16)	B7'—B13'—B11'	107.07 (15)
B13—B10—B7	59.05 (13)	B7'—B13'—H13'	123.2 (12)
B13—B10—H10	117.4 (13)	B8'—B13'—B7'	61.16 (12)
B13—B10—Co4	115.99 (14)	B8'—B13'—B10'	108.42 (15)
C12—B10—B6	57.68 (13)	B8'—B13'—B11'	58.84 (12)
C12—B10—B7	105.67 (16)	B8'—B13'—H13'	125.4 (12)
C12—B10—H10	115.1 (12)	B10'—B13'—B11'	105.67 (15)
C12—B10—B13	58.49 (13)	B10'—B13'—H13'	119.5 (12)
C12—B10—Co4	111.67 (13)	B11'—B13'—H13'	123.7 (13)
Co4—B10—H10	121.6 (13)	C12'—B13'—B7'	106.56 (15)
B5—B11—H11	119.8 (12)	C12'—B13'—B8'	106.15 (16)
B5—B11—B13	111.28 (16)	C12'—B13'—B10'	58.43 (12)
B8—B11—B5	65.64 (13)	C12'—B13'—B11'	58.66 (12)
B8—B11—B9	116.74 (17)	C12'—B13'—H13'	120.0 (11)
B8—B11—H11	122.6 (13)	C1—C1'—B2'	117.16 (15)
B8—B11—B13	59.35 (13)	C1—C1'—B3'	119.29 (14)
B9—B11—B5	63.89 (13)	C1—C1'—B5'	120.58 (15)
B9—B11—H11	114.4 (12)	C1—C1'—Co4'	131.94 (12)
B9—B11—B13	109.07 (17)	B2'—C1'—B5'	73.43 (12)
B13—B11—H11	123.1 (12)	B2'—C1'—Co4'	72.24 (10)
C12—B11—B5	106.40 (16)	B3'—C1'—B2'	123.50 (15)
C12—B11—B8	106.00 (16)	B3'—C1'—B5'	76.73 (13)
C12—B11—B9	57.63 (13)	B3'—C1'—Co4'	72.62 (10)
C12—B11—H11	122.5 (12)	B5'—C1'—Co4'	107.39 (11)
C12—B11—B13	58.04 (13)	B6'—C12'—B10'	64.04 (12)
B7—B13—B10	60.67 (13)	B6'—C12'—B11'	113.76 (15)
B7—B13—B11	107.46 (15)	B6'—C12'—B13'	117.76 (15)
B7—B13—H13	125.0 (13)	B6'—C12'—H12'	119.1 (14)
B8—B13—B7	61.01 (13)	B9'—C12'—B6'	63.33 (13)
B8—B13—B10	108.48 (16)	B9'—C12'—B10'	116.03 (15)
B8—B13—B11	58.84 (13)	B9'—C12'—B11'	62.22 (12)
B8—B13—H13	125.9 (13)	B9'—C12'—B13'	117.45 (15)
B10—B13—B11	106.29 (16)	B9'—C12'—H12'	118.6 (14)
B10—B13—H13	120.0 (13)	B10'—C12'—B11'	112.51 (14)
B11—B13—H13	121.6 (13)	B10'—C12'—B13'	62.72 (12)
C12—B13—B7	107.27 (16)	B10'—C12'—H12'	117.3 (14)
C12—B13—B8	106.24 (16)	B11'—C12'—H12'	118.5 (14)
C12—B13—B10	58.88 (13)	B13'—C12'—B11'	63.05 (13)
C12—B13—B11	58.84 (13)	B13'—C12'—H12'	112.5 (14)
C12—B13—H13	118.2 (13)	C42'—C41'—H41'	126.3
B2—C1—B5	73.50 (13)	C42'—C41'—Co4'	68.62 (11)
B2—C1—Co4	72.30 (11)	C45'—C41'—H41'	126.3
B3—C1—B2	123.39 (16)	C45'—C41'—C42'	107.48 (17)
B3—C1—B5	76.83 (13)	C45'—C41'—Co4'	71.13 (11)
B3—C1—Co4	72.33 (10)	Co4'—C41'—H41'	126.3
B5—C1—Co4	107.46 (11)	C41'—C42'—H42'	126.0
C1'—C1—B2	117.13 (15)	C41'—C42'—C43'	107.92 (18)
C1'—C1—B3	119.44 (16)	C41'—C42'—Co4'	70.90 (11)
C1'—C1—B5	120.58 (14)	C43'—C42'—H42'	126.0
C1'—C1—Co4	131.87 (12)	C43'—C42'—Co4'	69.91 (11)
H8A—C8—H8B	109.2	Co4'—C42'—H42'	126.0
C19—C8—H8A	111.3	C42'—C43'—H43'	125.8
C19—C8—H8B	111.3	C42'—C43'—Co4'	69.20 (11)
C3S—C8—H8A	111.3	C44'—C43'—C42'	108.31 (16)
C3S—C8—H8B	111.3	C44'—C43'—H43'	125.8
C3S—C8—C19	102.1 (6)	C44'—C43'—Co4'	71.45 (11)
B6—C12—B10	63.90 (13)	Co4'—C43'—H43'	125.8
B6—C12—B11	113.99 (16)	C43'—C44'—H44'	126.3
B6—C12—B13	117.59 (16)	C43'—C44'—C45'	107.48 (17)
B6—C12—H12	116.1 (15)	C43'—C44'—Co4'	68.64 (11)
B9—C12—B6	63.54 (13)	C45'—C44'—H44'	126.3
B9—C12—B10	116.13 (16)	C45'—C44'—Co4'	70.47 (10)
B9—C12—B11	62.29 (14)	Co4'—C44'—H44'	126.3
B9—C12—B13	117.52 (17)	C41'—C45'—C44'	108.80 (17)
B9—C12—H12	116.8 (14)	C41'—C45'—H45'	125.6
B10—C12—B11	112.63 (17)	C41'—C45'—Co4'	69.13 (10)
B10—C12—H12	117.3 (14)	C44'—C45'—H45'	125.6
B11—C12—H12	120.3 (14)	C44'—C45'—Co4'	69.71 (10)
B13—C12—B10	62.64 (14)	Co4'—C45'—H45'	125.6
B13—C12—B11	63.12 (14)	B2'—Co4'—B3'	76.44 (8)
B13—C12—H12	115.5 (15)	B6'—Co4'—B2'	49.20 (8)
C8—C19—H19C	109.3	B6'—Co4'—B3'	102.13 (8)
C8—C19—H19D	109.3	B6'—Co4'—B7'	88.47 (8)
H19C—C19—H19D	108.0	B7'—Co4'—B2'	101.78 (8)
H19A—C19—H19B	109.3	B7'—Co4'—B3'	48.79 (8)
C4S—C19—H19A	111.4	B10'—Co4'—B2'	91.27 (8)
C4S—C19—H19B	111.4	B10'—Co4'—B3'	90.41 (8)
O1S—C19—C8	111.5 (4)	B10'—Co4'—B6'	49.87 (8)
O1S—C19—H19C	109.3	B10'—Co4'—B7'	48.81 (8)
O1S—C19—H19D	109.3	C1'—Co4'—B2'	42.26 (7)
O1S—C19—H19A	111.4	C1'—Co4'—B3'	41.81 (7)
O1S—C19—H19B	111.4	C1'—Co4'—B6'	87.18 (8)
O1S—C19—C4S	101.7 (4)	C1'—Co4'—B7'	86.40 (7)
C42—C41—H41	126.3	C1'—Co4'—B10'	110.09 (8)
C42—C41—C45	107.38 (18)	C41'—Co4'—B2'	144.78 (8)
C42—C41—Co4	70.84 (11)	C41'—Co4'—B3'	96.33 (8)
C45—C41—H41	126.3	C41'—Co4'—B6'	160.17 (8)
C45—C41—Co4	68.43 (11)	C41'—Co4'—B7'	98.43 (8)
Co4—C41—H41	126.3	C41'—Co4'—B10'	123.54 (8)
C41—C42—H42	125.5	C41'—Co4'—C1'	111.69 (7)
C41—C42—C43	108.97 (17)	C41'—Co4'—C44'	67.52 (8)
C41—C42—Co4	69.59 (11)	C41'—Co4'—C45'	39.74 (7)
C43—C42—H42	125.5	C42'—Co4'—B2'	163.89 (8)
C43—C42—Co4	69.08 (11)	C42'—Co4'—B3'	119.67 (8)
Co4—C42—H42	125.5	C42'—Co4'—B6'	121.52 (8)
C42—C43—H43	126.3	C42'—Co4'—B7'	90.25 (8)
C42—C43—Co4	71.04 (11)	C42'—Co4'—B10'	88.65 (8)
C44—C43—C42	107.42 (19)	C42'—Co4'—C1'	151.03 (7)
C44—C43—H43	126.3	C42'—Co4'—C41'	40.47 (7)
C44—C43—Co4	68.65 (11)	C42'—Co4'—C43'	40.89 (8)
Co4—C43—H43	126.3	C42'—Co4'—C44'	67.83 (8)
C43—C44—H44	126.1	C42'—Co4'—C45'	67.18 (8)
C43—C44—C45	107.85 (18)	C43'—Co4'—B2'	123.00 (8)
C43—C44—Co4	70.96 (11)	C43'—Co4'—B3'	160.56 (8)
C45—C44—H44	126.1	C43'—Co4'—B6'	92.37 (8)
C45—C44—Co4	69.63 (11)	C43'—Co4'—B7'	119.83 (8)
Co4—C44—H44	126.1	C43'—Co4'—B10'	89.12 (8)
C41—C45—C44	108.36 (18)	C43'—Co4'—C1'	153.76 (8)
C41—C45—H45	125.8	C43'—Co4'—C41'	68.04 (8)
C41—C45—Co4	71.33 (11)	C43'—Co4'—C44'	39.91 (8)
C44—C45—H45	125.8	C43'—Co4'—C45'	66.95 (8)
C44—C45—Co4	69.49 (11)	C44'—Co4'—B2'	99.16 (8)
Co4—C45—H45	125.8	C44'—Co4'—B3'	145.78 (8)
B3—Co4—B2	76.42 (8)	C44'—Co4'—B6'	99.79 (8)
B6—Co4—B2	48.91 (8)	C44'—Co4'—B7'	157.80 (8)
B6—Co4—B3	102.16 (9)	C44'—Co4'—B10'	123.77 (8)
B6—Co4—B7	88.59 (9)	C44'—Co4'—C1'	114.37 (7)
B7—Co4—B2	101.73 (8)	C44'—Co4'—C45'	39.81 (7)
B7—Co4—B3	48.96 (8)	C45'—Co4'—B2'	109.42 (8)
B10—Co4—B2	91.03 (8)	C45'—Co4'—B3'	108.88 (7)
B10—Co4—B3	90.53 (9)	C45'—Co4'—B6'	136.14 (8)
B10—Co4—B6	49.94 (9)	C45'—Co4'—B7'	135.37 (7)
B10—Co4—B7	48.83 (9)	C45'—Co4'—B10'	154.23 (8)
C1—Co4—B2	42.27 (8)	C45'—Co4'—C1'	95.66 (7)
C1—Co4—B3	41.76 (7)	C2A—C3A—H3AB	111.0
C1—Co4—B6	86.99 (8)	C2A—C3A—H3AA	111.0
C1—Co4—B7	86.46 (8)	C2A—C3A—H3AD	113.0
C1—Co4—B10	109.98 (8)	C2A—C3A—H3AC	113.0
C41—Co4—B2	98.77 (8)	C2A—C3A—C4A	93.8 (12)
C41—Co4—B3	146.48 (8)	H3AB—C3A—H3AA	109.0
C41—Co4—B6	98.72 (9)	H3AD—C3A—H3AC	110.4
C41—Co4—B7	157.85 (8)	C4A—C3A—H3AD	113.0
C41—Co4—B10	122.91 (9)	C4A—C3A—H3AC	113.0
C41—Co4—C1	114.64 (7)	C4B—C3A—C2A	103.7 (3)
C41—Co4—C42	39.57 (8)	C4B—C3A—H3AB	111.0
C42—Co4—B2	109.01 (8)	C4B—C3A—H3AA	111.0
C42—Co4—B3	109.88 (8)	C3A—C4A—H4AA	111.7
C42—Co4—B6	134.75 (9)	C3A—C4A—H4AB	111.7
C42—Co4—B7	136.61 (9)	H4AA—C4A—H4AB	109.5
C42—Co4—B10	153.94 (8)	C5A—C4A—C3A	100.3 (9)
C42—Co4—C1	96.07 (7)	C5A—C4A—H4AA	111.7
C43—Co4—B2	144.49 (8)	C5A—C4A—H4AB	111.7
C43—Co4—B3	96.92 (8)	C4A—C5A—H5AB	114.2
C43—Co4—B6	159.86 (9)	C4A—C5A—H5AA	114.1
C43—Co4—B7	99.29 (9)	H5AB—C5A—H5AA	111.3
C43—Co4—B10	124.20 (8)	O1A—C5A—C4A	87.0 (14)
C43—Co4—C1	111.84 (7)	O1A—C5A—H5AB	114.1
C43—Co4—C41	67.56 (8)	O1A—C5A—H5AA	114.1
C43—Co4—C42	39.88 (8)	C2A—O1A—C5A	105.9 (3)
C44—Co4—B2	163.92 (9)	C5B—O1A—C2A	105.8 (9)
C44—Co4—B3	119.66 (8)	C3A—C4B—H4BA	112.7
C44—Co4—B6	121.81 (9)	C3A—C4B—H4BB	112.7
C44—Co4—B7	90.28 (8)	C3A—C4B—C5B	95.4 (12)
C44—Co4—B10	88.90 (8)	H4BA—C4B—H4BB	110.1
C44—Co4—C1	150.96 (8)	C5B—C4B—H4BA	112.7
C44—Co4—C41	68.06 (8)	C5B—C4B—H4BB	112.7
C44—Co4—C42	67.20 (8)	O1A—C5B—C4B	106.9 (14)
C44—Co4—C43	40.39 (8)	O1A—C5B—H5BA	110.3
C44—Co4—C45	40.88 (9)	O1A—C5B—H5BB	110.3
C45—Co4—B2	123.04 (9)	C4B—C5B—H5BA	110.3
C45—Co4—B3	160.52 (8)	C4B—C5B—H5BB	110.3
C45—Co4—B6	91.96 (9)	H5BA—C5B—H5BB	108.6
C45—Co4—B7	119.16 (8)	H2SA—C2S—H2SB	108.5
C45—Co4—B10	88.38 (9)	C3S—C2S—H2SA	110.2
C45—Co4—C1	154.35 (8)	C3S—C2S—H2SB	110.2
C45—Co4—C41	40.24 (8)	O1S—C2S—H2SA	110.2
C45—Co4—C42	66.92 (8)	O1S—C2S—H2SB	110.2
C45—Co4—C43	67.99 (8)	O1S—C2S—C3S	107.6 (2)
B5'—B2'—H2'	128.2 (12)	C8—C3S—H3SC	110.5
B5'—B2'—Co4'	96.23 (11)	C8—C3S—H3SD	110.5
B6'—B2'—H2'	116.2 (11)	C2S—C3S—C8	106.4 (5)
B6'—B2'—B5'	99.73 (13)	C2S—C3S—H3SA	111.1
B6'—B2'—Co4'	63.22 (10)	C2S—C3S—H3SB	111.1
B9'—B2'—H2'	109.4 (12)	C2S—C3S—H3SC	110.5
B9'—B2'—B5'	58.91 (11)	C2S—C3S—H3SD	110.5
B9'—B2'—B6'	58.46 (12)	H3SA—C3S—H3SB	109.1
B9'—B2'—Co4'	108.19 (12)	H3SC—C3S—H3SD	108.6
C1'—B2'—H2'	120.2 (11)	C4S—C3S—C2S	103.1 (3)
C1'—B2'—B5'	58.20 (11)	C4S—C3S—H3SA	111.1
C1'—B2'—B6'	120.42 (16)	C4S—C3S—H3SB	111.1
C1'—B2'—B9'	115.21 (15)	C19—C4S—H4SA	111.3
C1'—B2'—Co4'	65.50 (10)	C19—C4S—H4SB	111.3
Co4'—B2'—H2'	132.3 (12)	C3S—C4S—C19	102.1 (4)
B5'—B3'—H3'	132.2 (12)	C3S—C4S—H4SA	111.3
B5'—B3'—Co4'	94.19 (10)	C3S—C4S—H4SB	111.3
B7'—B3'—H3'	115.9 (11)	H4SA—C4S—H4SB	109.2
B7'—B3'—B5'	99.36 (13)	C19—O1S—C2S	108.2 (2)
B7'—B3'—B8'	58.89 (12)
B2—B5—B9—B6	−46.28 (14)	Co4—C43—C44—C45	−60.13 (14)
B2—B5—B9—B11	−148.31 (17)	Co4—C44—C45—C41	−61.03 (14)
B2—B5—B9—C12	−107.49 (17)	B2'—B5'—B9'—B6'	−46.88 (14)
B2—B5—B11—B8	−113.77 (15)	B2'—B5'—B9'—B11'	−148.60 (16)
B2—B5—B11—B9	26.76 (14)	B2'—B5'—B9'—C12'	−107.90 (16)
B2—B5—B11—B13	−74.75 (19)	B2'—B5'—B11'—B8'	−114.12 (15)
B2—B5—B11—C12	−13.28 (19)	B2'—B5'—B11'—B9'	26.42 (14)
B2—B5—C1—B3	131.21 (16)	B2'—B5'—B11'—B13'	−75.32 (17)
B2—B5—C1—Co4	64.81 (11)	B2'—B5'—B11'—C12'	−13.47 (18)
B2—B5—C1—C1'	−112.17 (19)	B2'—B5'—C1'—C1	−112.17 (18)
B2—B6—B9—B5	49.36 (14)	B2'—B5'—C1'—B3'	131.44 (15)
B2—B6—B9—B11	111.25 (18)	B2'—B5'—C1'—Co4'	64.74 (11)
B2—B6—B9—C12	146.56 (17)	B2'—B6'—B9'—B5'	49.58 (13)
B2—B6—B10—B7	−4.2 (2)	B2'—B6'—B9'—B11'	111.36 (15)
B2—B6—B10—B13	−68.0 (2)	B2'—B6'—B9'—C12'	146.71 (14)
B2—B6—B10—C12	−97.76 (19)	B2'—B6'—B10'—B7'	−4.3 (2)
B2—B6—B10—Co4	42.71 (15)	B2'—B6'—B10'—B13'	−68.20 (19)
B2—B6—C12—B9	−30.83 (16)	B2'—B6'—B10'—C12'	−98.14 (17)
B2—B6—C12—B10	111.52 (18)	B2'—B6'—B10'—Co4'	42.60 (14)
B2—B6—C12—B11	7.0 (2)	B2'—B6'—C12'—B9'	−30.70 (14)
B2—B6—C12—B13	78.0 (2)	B2'—B6'—C12'—B10'	111.55 (16)
B2—B9—B11—B5	−32.62 (17)	B2'—B6'—C12'—B11'	7.0 (2)
B2—B9—B11—B8	7.8 (3)	B2'—B6'—C12'—B13'	77.9 (2)
B2—B9—B11—B13	72.3 (2)	B2'—B9'—B11'—B5'	−32.30 (16)
B2—B9—B11—C12	100.44 (19)	B2'—B9'—B11'—B8'	8.3 (2)
B2—B9—C12—B6	31.04 (16)	B2'—B9'—B11'—B13'	72.9 (2)
B2—B9—C12—B10	−6.6 (3)	B2'—B9'—B11'—C12'	101.01 (18)
B2—B9—C12—B11	−109.72 (19)	B2'—B9'—C12'—B6'	31.22 (14)
B2—B9—C12—B13	−77.9 (2)	B2'—B9'—C12'—B10'	−6.6 (2)
B2—C1—C1'—B2'	−42.8 (2)	B2'—B9'—C12'—B11'	−109.52 (16)
B2—C1—C1'—B3'	134.67 (18)	B2'—B9'—C12'—B13'	−77.83 (19)
B2—C1—C1'—B5'	43.2 (2)	B3'—B5'—B9'—B2'	59.48 (15)
B2—C1—C1'—Co4'	−132.84 (16)	B3'—B5'—B9'—B6'	12.6 (2)
B3—B5—B9—B2	59.06 (16)	B3'—B5'—B9'—B11'	−89.13 (17)
B3—B5—B9—B6	12.8 (2)	B3'—B5'—B9'—C12'	−48.43 (19)
B3—B5—B9—B11	−89.24 (17)	B3'—B5'—B11'—B8'	−25.81 (13)
B3—B5—B9—C12	−48.4 (2)	B3'—B5'—B11'—B9'	114.72 (15)
B3—B5—B11—B8	−25.70 (14)	B3'—B5'—B11'—B13'	12.98 (18)
B3—B5—B11—B9	114.84 (15)	B3'—B5'—B11'—C12'	74.83 (16)
B3—B5—B11—B13	13.3 (2)	B3'—B5'—C1'—C1	116.39 (17)
B3—B5—B11—C12	74.80 (18)	B3'—B5'—C1'—B2'	−131.44 (15)
B3—B5—C1—B2	−131.21 (16)	B3'—B5'—C1'—Co4'	−66.70 (11)
B3—B5—C1—Co4	−66.40 (11)	B3'—B7'—B8'—B5'	−50.99 (13)
B3—B5—C1—C1'	116.62 (19)	B3'—B7'—B8'—B11'	−112.16 (16)
B3—B7—B8—B5	−50.70 (14)	B3'—B7'—B8'—B13'	−151.95 (15)
B3—B7—B8—B11	−112.30 (17)	B3'—B7'—B10'—B6'	5.3 (2)
B3—B7—B8—B13	−151.35 (17)	B3'—B7'—B10'—B13'	103.35 (18)
B3—B7—B10—B6	5.6 (2)	B3'—B7'—B10'—C12'	66.2 (2)
B3—B7—B10—B13	103.48 (18)	B3'—B7'—B10'—Co4'	−40.88 (14)
B3—B7—B10—C12	66.7 (2)	B3'—B7'—B13'—B8'	26.70 (14)
B3—B7—B10—Co4	−40.58 (14)	B3'—B7'—B13'—B10'	−110.04 (17)
B3—B7—B13—B8	27.30 (16)	B3'—B7'—B13'—B11'	−11.4 (2)
B3—B7—B13—B10	−109.33 (18)	B3'—B7'—B13'—C12'	−72.95 (18)
B3—B7—B13—B11	−10.1 (2)	B3'—B8'—B11'—B5'	32.97 (16)
B3—B7—B13—C12	−72.0 (2)	B3'—B8'—B11'—B9'	−7.0 (2)
B3—B8—B11—B5	32.83 (17)	B3'—B8'—B11'—B13'	−104.34 (18)
B3—B8—B11—B9	−6.9 (3)	B3'—B8'—B11'—C12'	−68.4 (2)
B3—B8—B11—B13	−104.17 (18)	B3'—B8'—B13'—B7'	−26.70 (15)
B3—B8—B11—C12	−68.3 (2)	B3'—B8'—B13'—B10'	12.2 (2)
B3—B8—B13—B7	−27.33 (16)	B3'—B8'—B13'—B11'	109.73 (17)
B3—B8—B13—B10	11.8 (2)	B3'—B8'—B13'—C12'	73.62 (19)
B3—B8—B13—B11	110.06 (18)	B5'—B2'—B6'—B9'	−43.95 (12)
B3—B8—B13—C12	73.8 (2)	B5'—B2'—B6'—B10'	50.61 (19)
B3—C1—C1'—B2'	134.97 (17)	B5'—B2'—B6'—C12'	−14.05 (17)
B3—C1—C1'—B3'	−47.5 (2)	B5'—B2'—B6'—Co4'	92.10 (10)
B3—C1—C1'—B5'	−139.00 (16)	B5'—B2'—B9'—B6'	126.99 (15)
B3—C1—C1'—Co4'	45.0 (2)	B5'—B2'—B9'—B11'	29.98 (15)
C2A—C3A—C4A—C5A	48 (2)	B5'—B2'—B9'—C12'	96.65 (16)
C2A—C3A—C4B—C5B	−40.2 (10)	B5'—B2'—C1'—C1	116.35 (18)
C2A—O1A—C5B—C4B	−34 (2)	B5'—B2'—C1'—B3'	−61.04 (18)
B5—B2—B6—B9	−43.71 (13)	B5'—B2'—C1'—Co4'	−115.01 (11)
B5—B2—B6—B10	50.4 (2)	B5'—B3'—B7'—B8'	44.26 (12)
B5—B2—B6—C12	−13.91 (19)	B5'—B3'—B7'—B10'	−50.28 (18)
B5—B2—B6—Co4	91.96 (11)	B5'—B3'—B7'—B13'	17.94 (17)
B5—B2—B9—B6	127.15 (15)	B5'—B3'—B7'—Co4'	−90.18 (10)
B5—B2—B9—B11	30.32 (16)	B5'—B3'—B8'—B7'	−126.22 (13)
B5—B2—B9—C12	96.69 (18)	B5'—B3'—B8'—B11'	−30.04 (15)
B5—B2—C1—B3	−61.32 (17)	B5'—B3'—B8'—B13'	−99.79 (16)
B5—B2—C1—Co4	−115.02 (10)	B5'—B3'—C1'—C1	−117.84 (18)
B5—B2—C1—C1'	116.39 (17)	B5'—B3'—C1'—B2'	59.50 (17)
B5—B3—B7—B8	43.78 (13)	B5'—B3'—C1'—Co4'	113.30 (10)
B5—B3—B7—B10	−50.92 (19)	B5'—B8'—B11'—B9'	−39.93 (16)
B5—B3—B7—B13	16.9 (2)	B5'—B8'—B11'—B13'	−137.31 (15)
B5—B3—B7—Co4	−90.67 (11)	B5'—B8'—B11'—C12'	−101.35 (16)
B5—B3—B8—B7	−126.74 (15)	B5'—B8'—B13'—B7'	−99.28 (15)
B5—B3—B8—B11	−29.99 (15)	B5'—B8'—B13'—B10'	−60.39 (19)
B5—B3—B8—B13	−99.73 (18)	B5'—B8'—B13'—B11'	37.16 (14)
B5—B3—C1—B2	59.76 (17)	B5'—B8'—B13'—C12'	1.05 (19)
B5—B3—C1—Co4	113.45 (11)	B5'—B9'—B11'—B8'	40.60 (16)
B5—B3—C1—C1'	−117.90 (18)	B5'—B9'—B11'—B13'	105.18 (16)
B5—B8—B11—B9	−39.73 (16)	B5'—B9'—B11'—C12'	133.31 (15)
B5—B8—B11—B13	−137.00 (16)	B5'—B9'—C12'—B6'	100.80 (15)
B5—B8—B11—C12	−101.10 (17)	B5'—B9'—C12'—B10'	63.02 (18)
B5—B8—B13—B7	−99.89 (16)	B5'—B9'—C12'—B11'	−39.94 (13)
B5—B8—B13—B10	−60.76 (19)	B5'—B9'—C12'—B13'	−8.2 (2)
B5—B8—B13—B11	37.50 (14)	B5'—B11'—B13'—B7'	−2.49 (19)
B5—B8—B13—C12	1.19 (19)	B5'—B11'—B13'—B8'	−41.66 (14)
B5—B9—B11—B8	40.42 (16)	B5'—B11'—B13'—B10'	60.69 (17)
B5—B9—B11—B13	104.96 (17)	B5'—B11'—B13'—C12'	96.83 (16)
B5—B9—B11—C12	133.06 (16)	B5'—B11'—C12'—B6'	4.9 (2)
B5—B9—C12—B6	100.57 (16)	B5'—B11'—C12'—B9'	43.11 (14)
B5—B9—C12—B10	62.9 (2)	B5'—B11'—C12'—B10'	−65.47 (19)
B5—B9—C12—B11	−40.19 (14)	B5'—B11'—C12'—B13'	−105.36 (16)
B5—B9—C12—B13	−8.3 (2)	B6'—B2'—B9'—B5'	−126.99 (15)
B5—B11—B13—B7	−3.4 (2)	B6'—B2'—B9'—B11'	−97.01 (18)
B5—B11—B13—B8	−41.81 (16)	B6'—B2'—B9'—C12'	−30.34 (14)
B5—B11—B13—B10	60.3 (2)	B6'—B2'—C1'—C1	−161.32 (16)
B5—B11—B13—C12	96.55 (18)	B6'—B2'—C1'—B3'	21.3 (3)
B5—B11—C12—B6	4.8 (2)	B6'—B2'—C1'—B5'	82.33 (17)
B5—B11—C12—B9	43.15 (15)	B6'—B2'—C1'—Co4'	−32.68 (14)
B5—B11—C12—B10	−65.5 (2)	B6'—B9'—B11'—B5'	−98.62 (15)
B5—B11—C12—B13	−105.20 (17)	B6'—B9'—B11'—B8'	−58.0 (2)
B5—C1—C1'—B2'	43.3 (2)	B6'—B9'—B11'—B13'	6.56 (19)
B5—C1—C1'—B3'	−139.22 (17)	B6'—B9'—B11'—C12'	34.69 (13)
B5—C1—C1'—B5'	129.30 (17)	B6'—B9'—C12'—B10'	−37.78 (15)
B5—C1—C1'—Co4'	−46.7 (2)	B6'—B9'—C12'—B11'	−140.74 (15)
B6—B2—B9—B5	−127.15 (15)	B6'—B9'—C12'—B13'	−109.05 (17)
B6—B2—B9—B11	−96.8 (2)	B6'—B10'—B13'—B7'	107.86 (16)
B6—B2—B9—C12	−30.46 (16)	B6'—B10'—B13'—B8'	68.61 (18)
B6—B2—C1—B3	21.1 (3)	B6'—B10'—B13'—B11'	6.84 (18)
B6—B2—C1—B5	82.43 (18)	B6'—B10'—B13'—C12'	−29.41 (13)
B6—B2—C1—Co4	−32.59 (15)	B6'—B10'—C12'—B9'	37.51 (15)
B6—B2—C1—C1'	−161.17 (16)	B6'—B10'—C12'—B11'	106.46 (16)
B6—B9—B11—B5	−98.26 (17)	B6'—B10'—C12'—B13'	146.49 (15)
B6—B9—B11—B8	−57.8 (2)	B7'—B3'—B8'—B5'	126.22 (13)
B6—B9—B11—B13	6.7 (2)	B7'—B3'—B8'—B11'	96.18 (18)
B6—B9—B11—C12	34.80 (15)	B7'—B3'—B8'—B13'	26.43 (15)
B6—B9—C12—B10	−37.67 (17)	B7'—B3'—C1'—C1	162.26 (16)
B6—B9—C12—B11	−140.76 (17)	B7'—B3'—C1'—B2'	−20.4 (3)
B6—B9—C12—B13	−108.90 (19)	B7'—B3'—C1'—B5'	−79.90 (18)
B6—B10—B13—B7	108.00 (17)	B7'—B3'—C1'—Co4'	33.40 (15)
B6—B10—B13—B8	68.7 (2)	B7'—B8'—B11'—B5'	98.59 (15)
B6—B10—B13—B11	6.8 (2)	B7'—B8'—B11'—B9'	58.7 (2)
B6—B10—B13—C12	−29.48 (15)	B7'—B8'—B11'—B13'	−38.72 (14)
B6—B10—C12—B9	37.53 (17)	B7'—B8'—B11'—C12'	−2.77 (19)
B6—B10—C12—B11	106.64 (18)	B7'—B8'—B13'—B10'	38.88 (14)
B6—B10—C12—B13	146.53 (17)	B7'—B8'—B13'—B11'	136.43 (15)
B7—B3—B8—B5	126.74 (15)	B7'—B8'—B13'—C12'	100.33 (16)
B7—B3—B8—B11	96.75 (19)	B7'—B10'—B13'—B8'	−39.25 (15)
B7—B3—B8—B13	27.01 (16)	B7'—B10'—B13'—B11'	−101.02 (15)
B7—B3—C1—B2	−19.8 (3)	B7'—B10'—B13'—C12'	−137.27 (16)
B7—B3—C1—B5	−79.52 (18)	B7'—B10'—C12'—B6'	−109.22 (15)
B7—B3—C1—Co4	33.93 (15)	B7'—B10'—C12'—B9'	−71.71 (18)
B7—B3—C1—C1'	162.58 (16)	B7'—B10'—C12'—B11'	−2.8 (2)
B7—B8—B11—B5	98.93 (16)	B7'—B10'—C12'—B13'	37.28 (14)
B7—B8—B11—B9	59.2 (2)	B7'—B13'—C12'—B6'	−3.9 (2)
B7—B8—B11—B13	−38.07 (15)	B7'—B13'—C12'—B9'	68.8 (2)
B7—B8—B11—C12	−2.2 (2)	B7'—B13'—C12'—B10'	−37.97 (14)
B7—B8—B13—B10	39.14 (15)	B7'—B13'—C12'—B11'	100.23 (16)
B7—B8—B13—B11	137.39 (17)	B8'—B3'—B7'—B10'	−94.54 (17)
B7—B8—B13—C12	101.08 (17)	B8'—B3'—B7'—B13'	−26.31 (14)
B7—B10—B13—B8	−39.29 (15)	B8'—B3'—B7'—Co4'	−134.43 (12)
B7—B10—B13—B11	−101.21 (17)	B8'—B3'—C1'—C1	−130.78 (17)
B7—B10—B13—C12	−137.49 (16)	B8'—B3'—C1'—B2'	46.6 (2)
B7—B10—C12—B6	−109.52 (16)	B8'—B3'—C1'—B5'	−12.94 (15)
B7—B10—C12—B9	−72.0 (2)	B8'—B3'—C1'—Co4'	100.36 (14)
B7—B10—C12—B11	−2.9 (2)	B8'—B5'—B9'—B2'	115.72 (15)
B7—B10—C12—B13	37.01 (15)	B8'—B5'—B9'—B6'	68.84 (17)
B7—B13—C12—B6	−4.1 (2)	B8'—B5'—B9'—B11'	−32.88 (14)
B7—B13—C12—B9	68.7 (2)	B8'—B5'—B9'—C12'	7.82 (18)
B7—B13—C12—B10	−38.10 (15)	B8'—B5'—B11'—B9'	140.53 (16)
B7—B13—C12—B11	100.32 (17)	B8'—B5'—B11'—B13'	38.79 (14)
B8—B3—B7—B10	−94.70 (18)	B8'—B5'—B11'—C12'	100.65 (16)
B8—B3—B7—B13	−26.90 (16)	B8'—B5'—C1'—C1	127.75 (15)
B8—B3—B7—Co4	−134.46 (13)	B8'—B5'—C1'—B2'	−120.08 (15)
B8—B3—C1—B2	46.9 (2)	B8'—B5'—C1'—B3'	11.36 (13)
B8—B3—C1—B5	−12.89 (16)	B8'—B5'—C1'—Co4'	−55.34 (13)
B8—B3—C1—Co4	100.56 (15)	B8'—B7'—B10'—B6'	−60.02 (19)
B8—B3—C1—C1'	−130.79 (17)	B8'—B7'—B10'—B13'	38.04 (14)
B8—B5—B9—B2	115.46 (15)	B8'—B7'—B10'—C12'	0.89 (19)
B8—B5—B9—B6	69.18 (17)	B8'—B7'—B10'—Co4'	−106.19 (13)
B8—B5—B9—B11	−32.85 (14)	B8'—B7'—B13'—B10'	−136.74 (16)
B8—B5—B9—C12	7.97 (18)	B8'—B7'—B13'—B11'	−38.09 (13)
B8—B5—B11—B9	140.53 (16)	B8'—B7'—B13'—C12'	−99.65 (16)
B8—B5—B11—B13	39.02 (15)	B8'—B11'—B13'—B7'	39.17 (14)
B8—B5—B11—C12	100.50 (17)	B8'—B11'—B13'—B10'	102.35 (15)
B8—B5—C1—B2	−119.86 (15)	B8'—B11'—B13'—C12'	138.49 (16)
B8—B5—C1—B3	11.36 (14)	B8'—B11'—C12'—B6'	73.91 (19)
B8—B5—C1—Co4	−55.04 (14)	B8'—B11'—C12'—B9'	112.08 (16)
B8—B5—C1—C1'	127.98 (16)	B8'—B11'—C12'—B10'	3.5 (2)
B8—B7—B10—B6	−59.8 (2)	B8'—B11'—C12'—B13'	−36.39 (14)
B8—B7—B10—B13	38.14 (14)	B8'—B13'—C12'—B6'	−67.9 (2)
B8—B7—B10—C12	1.38 (19)	B8'—B13'—C12'—B9'	4.8 (2)
B8—B7—B10—Co4	−105.92 (13)	B8'—B13'—C12'—B10'	−102.01 (16)
B8—B7—B13—B10	−136.63 (16)	B8'—B13'—C12'—B11'	36.18 (14)
B8—B7—B13—B11	−37.40 (15)	B9'—B2'—B6'—B10'	94.55 (18)
B8—B7—B13—C12	−99.35 (17)	B9'—B2'—B6'—C12'	29.89 (14)
B8—B11—B13—B7	38.37 (16)	B9'—B2'—B6'—Co4'	136.05 (12)
B8—B11—B13—B10	102.08 (17)	B9'—B2'—C1'—C1	131.89 (17)
B8—B11—B13—C12	138.37 (17)	B9'—B2'—C1'—B3'	−45.5 (2)
B8—B11—C12—B6	73.6 (2)	B9'—B2'—C1'—B5'	15.54 (16)
B8—B11—C12—B9	111.87 (17)	B9'—B2'—C1'—Co4'	−99.47 (15)
B8—B11—C12—B10	3.2 (2)	B9'—B5'—B11'—B8'	−140.53 (16)
B8—B11—C12—B13	−36.48 (15)	B9'—B5'—B11'—B13'	−101.74 (16)
B8—B13—C12—B6	−68.1 (2)	B9'—B5'—B11'—C12'	−39.89 (14)
B8—B13—C12—B9	4.7 (2)	B9'—B5'—C1'—C1	−125.89 (16)
B8—B13—C12—B10	−102.11 (17)	B9'—B5'—C1'—B2'	−13.73 (14)
B8—B13—C12—B11	36.31 (15)	B9'—B5'—C1'—B3'	117.71 (15)
B9—B2—B6—B10	94.12 (19)	B9'—B5'—C1'—Co4'	51.01 (14)
B9—B2—B6—C12	29.80 (15)	B9'—B6'—B10'—B7'	60.84 (19)
B9—B2—B6—Co4	135.67 (14)	B9'—B6'—B10'—B13'	−3.03 (18)
B9—B2—C1—B3	−46.2 (2)	B9'—B6'—B10'—C12'	−32.96 (13)
B9—B2—C1—B5	15.10 (16)	B9'—B6'—B10'—Co4'	107.77 (13)
B9—B2—C1—Co4	−99.93 (15)	B9'—B6'—C12'—B10'	142.25 (14)
B9—B2—C1—C1'	131.49 (17)	B9'—B6'—C12'—B11'	37.72 (15)
B9—B5—B11—B8	−140.53 (16)	B9'—B6'—C12'—B13'	108.58 (18)
B9—B5—B11—B13	−101.51 (19)	B9'—B11'—B13'—B7'	−71.43 (17)
B9—B5—B11—C12	−40.04 (14)	B9'—B11'—B13'—B8'	−110.60 (16)
B9—B5—C1—B2	−13.46 (14)	B9'—B11'—B13'—B10'	−8.25 (18)
B9—B5—C1—B3	117.76 (15)	B9'—B11'—B13'—C12'	27.89 (13)
B9—B5—C1—Co4	51.36 (14)	B9'—B11'—C12'—B6'	−38.16 (15)
B9—B5—C1—C1'	−125.62 (17)	B9'—B11'—C12'—B10'	−108.57 (17)
B9—B6—B10—B7	60.9 (2)	B9'—B11'—C12'—B13'	−148.46 (15)
B9—B6—B10—B13	−2.8 (2)	B10'—B6'—B9'—B2'	−113.53 (15)
B9—B6—B10—C12	−32.61 (15)	B10'—B6'—B9'—B5'	−63.96 (17)
B9—B6—B10—Co4	107.85 (15)	B10'—B6'—B9'—B11'	−2.17 (18)
B9—B6—C12—B10	142.34 (17)	B10'—B6'—B9'—C12'	33.17 (13)
B9—B6—C12—B11	37.81 (16)	B10'—B6'—C12'—B9'	−142.25 (14)
B9—B6—C12—B13	108.8 (2)	B10'—B6'—C12'—B11'	−104.53 (16)
B9—B11—B13—B7	−72.0 (2)	B10'—B6'—C12'—B13'	−33.67 (16)
B9—B11—B13—B8	−110.40 (18)	B10'—B7'—B8'—B3'	113.35 (15)
B9—B11—B13—B10	−8.3 (2)	B10'—B7'—B8'—B5'	62.36 (17)
B9—B11—B13—C12	27.96 (15)	B10'—B7'—B8'—B11'	1.18 (19)
B9—B11—C12—B6	−38.31 (16)	B10'—B7'—B8'—B13'	−38.60 (14)
B9—B11—C12—B10	−108.67 (18)	B10'—B7'—B13'—B8'	136.74 (16)
B9—B11—C12—B13	−148.35 (17)	B10'—B7'—B13'—B11'	98.65 (16)
B10—B6—B9—B2	−113.63 (17)	B10'—B7'—B13'—C12'	37.09 (14)
B10—B6—B9—B5	−64.27 (18)	B10'—B13'—C12'—B6'	34.12 (16)
B10—B6—B9—B11	−2.4 (2)	B10'—B13'—C12'—B9'	106.77 (17)
B10—B6—B9—C12	32.93 (15)	B10'—B13'—C12'—B11'	138.20 (15)
B10—B6—C12—B9	−142.34 (17)	B11'—B5'—B9'—B2'	148.60 (16)
B10—B6—C12—B11	−104.53 (18)	B11'—B5'—B9'—B6'	101.72 (17)
B10—B6—C12—B13	−33.55 (17)	B11'—B5'—B9'—C12'	40.70 (14)
B10—B7—B8—B3	112.80 (16)	B11'—B5'—C1'—C1	178.82 (18)
B10—B7—B8—B5	62.09 (18)	B11'—B5'—C1'—B2'	−69.0 (2)
B10—B7—B8—B11	0.5 (2)	B11'—B5'—C1'—B3'	62.4 (2)
B10—B7—B8—B13	−38.55 (15)	B11'—B5'—C1'—Co4'	−4.3 (2)
B10—B7—B13—B8	136.63 (16)	B11'—B8'—B13'—B7'	−136.43 (15)
B10—B7—B13—B11	99.24 (18)	B11'—B8'—B13'—B10'	−97.55 (16)
B10—B7—B13—C12	37.29 (15)	B11'—B8'—B13'—C12'	−36.11 (14)
B10—B13—C12—B6	33.97 (17)	B11'—B9'—C12'—B6'	140.74 (15)
B10—B13—C12—B9	106.83 (19)	B11'—B9'—C12'—B10'	102.97 (16)
B10—B13—C12—B11	138.42 (16)	B11'—B9'—C12'—B13'	31.69 (16)
B11—B5—B9—B2	148.31 (17)	B11'—B13'—C12'—B6'	−104.08 (18)
B11—B5—B9—B6	102.03 (17)	B11'—B13'—C12'—B9'	−31.43 (16)
B11—B5—B9—C12	40.82 (15)	B11'—B13'—C12'—B10'	−138.20 (15)
B11—B5—C1—B2	−69.1 (2)	B13'—B7'—B8'—B3'	151.95 (15)
B11—B5—C1—B3	62.2 (2)	B13'—B7'—B8'—B5'	100.96 (15)
B11—B5—C1—Co4	−4.2 (3)	B13'—B7'—B8'—B11'	39.78 (15)
B11—B5—C1—C1'	178.8 (2)	B13'—B7'—B10'—B6'	−98.06 (18)
B11—B8—B13—B7	−137.39 (17)	B13'—B7'—B10'—C12'	−37.14 (14)
B11—B8—B13—B10	−98.25 (18)	B13'—B7'—B10'—Co4'	−144.23 (14)
B11—B8—B13—C12	−36.31 (15)	B13'—B8'—B11'—B5'	137.31 (15)
B11—B9—C12—B6	140.76 (17)	B13'—B8'—B11'—B9'	97.37 (18)
B11—B9—C12—B10	103.09 (19)	B13'—B8'—B11'—C12'	35.95 (14)
B11—B9—C12—B13	31.85 (17)	B13'—B10'—C12'—B6'	−146.49 (15)
B11—B13—C12—B6	−104.45 (19)	B13'—B10'—C12'—B9'	−108.99 (17)
B11—B13—C12—B9	−31.59 (17)	B13'—B10'—C12'—B11'	−40.03 (15)
B11—B13—C12—B10	−138.42 (16)	B13'—B11'—C12'—B6'	110.30 (17)
B13—B7—B8—B3	151.35 (17)	B13'—B11'—C12'—B9'	148.46 (15)
B13—B7—B8—B5	100.65 (17)	B13'—B11'—C12'—B10'	39.89 (15)
B13—B7—B8—B11	39.05 (15)	C1'—B2'—B6'—B9'	−102.66 (18)
B13—B7—B10—B6	−97.92 (18)	C1'—B2'—B6'—B10'	−8.1 (2)
B13—B7—B10—C12	−36.75 (14)	C1'—B2'—B6'—C12'	−72.8 (2)
B13—B7—B10—Co4	−144.06 (14)	C1'—B2'—B6'—Co4'	33.39 (15)
B13—B8—B11—B5	137.00 (16)	C1'—B2'—B9'—B5'	−15.42 (16)
B13—B8—B11—B9	97.27 (19)	C1'—B2'—B9'—B6'	111.57 (18)
B13—B8—B11—C12	35.90 (15)	C1'—B2'—B9'—B11'	14.6 (2)
B13—B10—C12—B6	−146.53 (17)	C1'—B2'—B9'—C12'	81.2 (2)
B13—B10—C12—B9	−109.0 (2)	C1'—B3'—B7'—B8'	100.66 (19)
B13—B10—C12—B11	−39.89 (16)	C1'—B3'—B7'—B10'	6.1 (3)
B13—B11—C12—B6	110.04 (18)	C1'—B3'—B7'—B13'	74.3 (2)
B13—B11—C12—B9	148.35 (17)	C1'—B3'—B7'—Co4'	−33.77 (15)
B13—B11—C12—B10	39.68 (16)	C1'—B3'—B8'—B5'	12.65 (15)
C1—B2—B6—B9	−102.5 (2)	C1'—B3'—B8'—B7'	−113.57 (17)
C1—B2—B6—B10	−8.4 (3)	C1'—B3'—B8'—B11'	−17.4 (2)
C1—B2—B6—C12	−72.7 (2)	C1'—B3'—B8'—B13'	−87.1 (2)
C1—B2—B6—Co4	33.19 (16)	C1'—B5'—B9'—B2'	12.49 (13)
C1—B2—B9—B5	−15.02 (15)	C1'—B5'—B9'—B6'	−34.39 (18)
C1—B2—B9—B6	112.13 (19)	C1'—B5'—B9'—B11'	−136.11 (17)
C1—B2—B9—B11	15.3 (3)	C1'—B5'—B9'—C12'	−95.41 (16)
C1—B2—B9—C12	81.7 (2)	C1'—B5'—B11'—B8'	−67.5 (2)
C1—B3—B7—B8	100.17 (19)	C1'—B5'—B11'—B9'	73.0 (2)
C1—B3—B7—B10	5.5 (3)	C1'—B5'—B11'—B13'	−28.7 (3)
C1—B3—B7—B13	73.3 (2)	C1'—B5'—B11'—C12'	33.1 (3)
C1—B3—B7—Co4	−34.28 (15)	C12'—B6'—B9'—B2'	−146.71 (14)
C1—B3—B8—B5	12.64 (16)	C12'—B6'—B9'—B5'	−97.13 (15)
C1—B3—B8—B7	−114.10 (19)	C12'—B6'—B9'—B11'	−35.34 (13)
C1—B3—B8—B11	−17.3 (2)	C12'—B6'—B10'—B7'	93.80 (17)
C1—B3—B8—B13	−87.1 (2)	C12'—B6'—B10'—B13'	29.93 (13)
C1—B5—B9—B2	12.20 (13)	C12'—B6'—B10'—Co4'	140.73 (12)
C1—B5—B9—B6	−34.08 (18)	C12'—B9'—B11'—B5'	−133.31 (15)
C1—B5—B9—B11	−136.10 (16)	C12'—B9'—B11'—B8'	−92.71 (18)
C1—B5—B9—C12	−95.29 (16)	C12'—B9'—B11'—B13'	−28.13 (13)
C1—B5—B11—B8	−67.1 (2)	C12'—B10'—B13'—B7'	137.27 (16)
C1—B5—B11—B9	73.4 (2)	C12'—B10'—B13'—B8'	98.02 (17)
C1—B5—B11—B13	−28.1 (3)	C12'—B10'—B13'—B11'	36.25 (13)
C1—B5—B11—C12	33.4 (3)	C12'—B11'—B13'—B7'	−99.33 (16)
C8—C19—C4S—C3S	72.7 (12)	C12'—B11'—B13'—B8'	−138.49 (16)
C8—C19—O1S—C2S	9.1 (12)	C12'—B11'—B13'—B10'	−36.15 (13)
C8—C3S—C4S—C19	−70.5 (11)	C41'—C42'—C43'—C44'	0.0 (2)
C12—B6—B9—B2	−146.56 (17)	C41'—C42'—C43'—Co4'	61.03 (13)
C12—B6—B9—B5	−97.20 (17)	C42'—C41'—C45'—C44'	−0.7 (2)
C12—B6—B9—B11	−35.31 (15)	C42'—C41'—C45'—Co4'	−59.23 (13)
C12—B6—B10—B7	93.55 (18)	C42'—C43'—C44'—C45'	−0.4 (2)
C12—B6—B10—B13	29.77 (15)	C42'—C43'—C44'—Co4'	59.62 (13)
C12—B6—B10—Co4	140.46 (14)	C43'—C44'—C45'—C41'	0.7 (2)
C12—B9—B11—B5	−133.06 (16)	C43'—C44'—C45'—Co4'	58.87 (13)
C12—B9—B11—B8	−92.64 (19)	C45'—C41'—C42'—C43'	0.4 (2)
C12—B9—B11—B13	−28.10 (15)	C45'—C41'—C42'—Co4'	60.82 (13)
C12—B10—B13—B7	137.49 (16)	Co4'—B2'—B6'—B9'	−136.05 (12)
C12—B10—B13—B8	98.20 (17)	Co4'—B2'—B6'—B10'	−41.50 (13)
C12—B10—B13—B11	36.28 (15)	Co4'—B2'—B6'—C12'	−106.16 (14)
C12—B11—B13—B7	−99.99 (18)	Co4'—B2'—B9'—B5'	−86.28 (12)
C12—B11—B13—B8	−138.37 (17)	Co4'—B2'—B9'—B6'	40.71 (11)
C12—B11—B13—B10	−36.29 (15)	Co4'—B2'—B9'—B11'	−56.30 (19)
C19—C8—C3S—C2S	−14.7 (16)	Co4'—B2'—B9'—C12'	10.36 (17)
C19—C8—C3S—C4S	72.8 (10)	Co4'—B2'—C1'—C1	−128.64 (15)
C41—C42—C43—C44	−1.0 (2)	Co4'—B2'—C1'—B3'	53.97 (16)
C41—C42—C43—Co4	58.25 (13)	Co4'—B2'—C1'—B5'	115.01 (11)
C42—C41—C45—C44	−0.5 (2)	Co4'—B3'—B7'—B8'	134.43 (12)
C42—C41—C45—Co4	−60.42 (13)	Co4'—B3'—B7'—B10'	39.89 (14)
C42—C43—C44—C45	0.6 (2)	Co4'—B3'—B7'—B13'	108.12 (14)
C42—C43—C44—Co4	60.77 (13)	Co4'—B3'—B8'—B5'	83.46 (12)
C43—C44—C45—C41	−0.1 (2)	Co4'—B3'—B8'—B7'	−42.76 (11)
C43—C44—C45—Co4	60.97 (14)	Co4'—B3'—B8'—B11'	53.42 (19)
C45—C41—C42—C43	1.0 (2)	Co4'—B3'—B8'—B13'	−16.33 (19)
C45—C41—C42—Co4	58.90 (13)	Co4'—B3'—C1'—C1	128.85 (16)
Co4—B2—B6—B9	−135.67 (14)	Co4'—B3'—C1'—B2'	−53.81 (16)
Co4—B2—B6—B10	−41.55 (14)	Co4'—B3'—C1'—B5'	−113.30 (10)
Co4—B2—B6—C12	−105.87 (16)	Co4'—B6'—B9'—B2'	−44.17 (12)
Co4—B2—B9—B5	−85.90 (13)	Co4'—B6'—B9'—B5'	5.41 (18)
Co4—B2—B9—B6	41.26 (13)	Co4'—B6'—B9'—B11'	67.20 (17)
Co4—B2—B9—B11	−55.6 (2)	Co4'—B6'—B9'—C12'	102.54 (14)
Co4—B2—B9—C12	10.8 (2)	Co4'—B6'—B10'—B7'	−46.93 (13)
Co4—B2—C1—B3	53.71 (16)	Co4'—B6'—B10'—B13'	−110.80 (13)
Co4—B2—C1—B5	115.02 (10)	Co4'—B6'—B10'—C12'	−140.73 (12)
Co4—B2—C1—C1'	−128.58 (15)	Co4'—B6'—C12'—B9'	−104.07 (14)
Co4—B3—B7—B8	134.46 (13)	Co4'—B6'—C12'—B10'	38.18 (12)
Co4—B3—B7—B10	39.76 (14)	Co4'—B6'—C12'—B11'	−66.36 (18)
Co4—B3—B7—B13	107.56 (17)	Co4'—B6'—C12'—B13'	4.5 (2)
Co4—B3—B8—B5	83.82 (12)	Co4'—B7'—B8'—B3'	44.89 (11)
Co4—B3—B8—B7	−42.92 (12)	Co4'—B7'—B8'—B5'	−6.09 (16)
Co4—B3—B8—B11	53.83 (19)	Co4'—B7'—B8'—B11'	−67.27 (16)
Co4—B3—B8—B13	−15.91 (19)	Co4'—B7'—B8'—B13'	−107.05 (14)
Co4—B3—C1—B2	−53.69 (16)	Co4'—B7'—B10'—B6'	46.17 (13)
Co4—B3—C1—B5	−113.45 (11)	Co4'—B7'—B10'—B13'	144.23 (14)
Co4—B3—C1—C1'	128.65 (15)	Co4'—B7'—B10'—C12'	107.08 (14)
Co4—B6—B9—B2	−44.53 (13)	Co4'—B7'—B13'—B8'	101.23 (14)
Co4—B6—B9—B5	4.82 (19)	Co4'—B7'—B13'—B10'	−35.51 (13)
Co4—B6—B9—B11	66.72 (18)	Co4'—B7'—B13'—B11'	63.14 (17)
Co4—B6—B9—C12	102.02 (16)	Co4'—B7'—B13'—C12'	1.59 (19)
Co4—B6—B10—B7	−46.91 (14)	Co4'—B10'—B13'—B7'	36.79 (13)
Co4—B6—B10—B13	−110.69 (15)	Co4'—B10'—B13'—B8'	−2.5 (2)
Co4—B6—B10—C12	−140.46 (14)	Co4'—B10'—B13'—B11'	−64.23 (17)
Co4—B6—C12—B9	−104.05 (16)	Co4'—B10'—B13'—C12'	−100.48 (15)
Co4—B6—C12—B10	38.29 (13)	Co4'—B10'—C12'—B6'	−38.20 (12)
Co4—B6—C12—B11	−66.24 (19)	Co4'—B10'—C12'—B9'	−0.69 (19)
Co4—B6—C12—B13	4.7 (2)	Co4'—B10'—C12'—B11'	68.26 (17)
Co4—B7—B8—B3	44.53 (13)	Co4'—B10'—C12'—B13'	108.30 (14)
Co4—B7—B8—B5	−6.17 (18)	Co4'—C41'—C42'—C43'	−60.40 (13)
Co4—B7—B8—B11	−67.77 (17)	Co4'—C41'—C45'—C44'	58.55 (13)
Co4—B7—B8—B13	−106.82 (16)	Co4'—C42'—C43'—C44'	−61.04 (14)
Co4—B7—B10—B6	46.14 (14)	Co4'—C43'—C44'—C45'	−60.03 (13)
Co4—B7—B10—B13	144.06 (14)	Co4'—C44'—C45'—C41'	−58.19 (13)
Co4—B7—B10—C12	107.31 (14)	C3A—C2A—O1A—C5A	−30.9 (6)
Co4—B7—B13—B8	101.10 (15)	C3A—C2A—O1A—C5B	6.3 (13)
Co4—B7—B13—B10	−35.54 (13)	C3A—C4A—C5A—O1A	−65.2 (18)
Co4—B7—B13—B11	63.70 (19)	C3A—C4B—C5B—O1A	46.9 (18)
Co4—B7—B13—C12	1.8 (2)	C4A—C3A—C4B—C5B	37.5 (17)
Co4—B10—B13—B7	36.94 (14)	C4A—C5A—O1A—C2A	57.4 (8)
Co4—B10—B13—B8	−2.3 (2)	C4A—C5A—O1A—C5B	−37.6 (16)
Co4—B10—B13—B11	−64.27 (19)	C5A—O1A—C5B—C4B	61.3 (10)
Co4—B10—B13—C12	−100.54 (16)	O1A—C2A—C3A—C4A	−12.1 (14)
Co4—B10—C12—B6	−38.50 (14)	O1A—C2A—C3A—C4B	23.7 (5)
Co4—B10—C12—B9	−1.0 (2)	C4B—C3A—C4A—C5A	−59.6 (12)
Co4—B10—C12—B11	68.14 (19)	C2S—C3S—C4S—C19	29.7 (9)
Co4—B10—C12—B13	108.03 (16)	C3S—C8—C19—C4S	−70.3 (10)
Co4—C1—C1'—B2'	−132.86 (16)	C3S—C8—C19—O1S	4.0 (17)
Co4—C1—C1'—B3'	44.6 (2)	C3S—C2S—O1S—C19	−18.6 (3)
Co4—C1—C1'—B5'	−46.8 (2)	C4S—C19—O1S—C2S	37.0 (6)
Co4—C1—C1'—Co4'	137.14 (13)	O1S—C19—C4S—C3S	−41.2 (8)
Co4—C41—C42—C43	−57.94 (13)	O1S—C2S—C3S—C8	21.1 (11)
Co4—C41—C45—C44	59.88 (14)	O1S—C2S—C3S—C4S	−8.6 (6)
Co4—C42—C43—C44	−59.25 (13)

(2) meso-[1-{1'-4'-Cyclopentadienyl-4'-cobalta-1',12'-dicarba-closo-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-closo-dodecaborane(10)]

Crystal data

[Co2(C5H5)2(C4H22B20)]	F(000) = 2160
Mr = 534.46	Dx = 1.380 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 43.247 (5) Å	Cell parameters from 7807 reflections
b = 8.8497 (9) Å	θ = 2.4–28.2°
c = 13.4476 (14) Å	µ = 1.30 mm^−1
β = 90.104 (6)°	T = 100 K
V = 5146.7 (9) Å^3	Block, orange
Z = 8	0.2 × 0.2 × 0.1 mm

Data collection

Bruker APEXII CCD diffractometer	6433 independent reflections
Radiation source: fine-focus sealed tube	5814 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.074
φ and ω scans	θmax = 28.4°, θmin = 2.4°
Absorption correction: multi-scan (SADABS; Bruker, 2008)	h = −50→57
Tmin = 0.607, Tmax = 0.746	k = −11→11
39827 measured reflections	l = −17→17

Refinement

Refinement on F^2	Primary atom site location: iterative
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.087	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.157	H atoms treated by a mixture of independent and constrained refinement
S = 1.25	w = 1/[σ^2(Fo^2) + (0.0172P)^2 + 60.P] where P = (Fo^2 + 2Fc^2)/3
6433 reflections	(Δ/σ)max = 0.001
392 parameters	Δρmax = 0.56 e Å^−3
0 restraints	Δρmin = −1.57 e Å^−3

Special details

Experimental. Absorption correction: SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.0846 before and 0.0689 after correction. The Ratio of minimum to maximum transmission is 0.8144. The λ/2 correction factor is 0.0015.

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 > σ(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	0.39067 (11)	0.8170 (5)	0.6364 (3)	0.0144 (9)
B2	0.41436 (12)	0.8144 (6)	0.7255 (4)	0.0163 (10)
H2	0.4048 (12)	0.814 (6)	0.801 (4)	0.020*
B3	0.40064 (13)	0.8184 (6)	0.5255 (4)	0.0167 (10)
H3	0.3822 (12)	0.827 (6)	0.465 (4)	0.020*
Co4	0.421612 (15)	1.00183 (7)	0.61755 (5)	0.01425 (15)
B5	0.41291 (13)	0.6469 (6)	0.6258 (4)	0.0188 (11)
H5	0.3989 (12)	0.541 (6)	0.634 (4)	0.024 (15)*
B6	0.45413 (12)	0.8777 (6)	0.7092 (4)	0.0164 (10)
H6	0.4667 (12)	0.931 (6)	0.774 (4)	0.020*
B9	0.44618 (13)	0.6796 (6)	0.7142 (4)	0.0190 (11)
H9	0.4517 (12)	0.622 (6)	0.784 (4)	0.023*
B8	0.43096 (13)	0.6798 (7)	0.4955 (4)	0.0191 (11)
H8	0.4235 (12)	0.608 (6)	0.426 (4)	0.023*
B7	0.43961 (13)	0.8776 (6)	0.4875 (4)	0.0178 (11)
H7	0.4390 (12)	0.940 (6)	0.417 (4)	0.021*
B10	0.46710 (13)	0.9201 (6)	0.5841 (4)	0.0181 (11)
H10	0.4857 (12)	0.996 (6)	0.578 (4)	0.022*
B11	0.45261 (13)	0.6039 (7)	0.5941 (4)	0.0207 (11)
H11	0.4624 (13)	0.502 (7)	0.592 (4)	0.025*
C12	0.47469 (12)	0.7496 (6)	0.6419 (4)	0.0188 (10)
H12	0.4957 (13)	0.735 (6)	0.666 (4)	0.023*
B13	0.46896 (13)	0.7458 (6)	0.5149 (4)	0.0201 (11)
H13	0.4885 (12)	0.720 (6)	0.465 (4)	0.024*
C41	0.38875 (12)	1.1745 (5)	0.6444 (4)	0.0203 (10)
H41	0.3666	1.1582	0.6631	0.024*
C42	0.40044 (12)	1.1841 (5)	0.5447 (4)	0.0218 (10)
H42	0.3879	1.1784	0.4823	0.026*
C43	0.43318 (13)	1.2055 (5)	0.5508 (4)	0.0238 (11)
H43	0.4476	1.2190	0.4933	0.029*
C44	0.44176 (13)	1.2070 (5)	0.6553 (4)	0.0237 (11)
H44	0.4631	1.2218	0.6826	0.028*
C45	0.41393 (12)	1.1886 (5)	0.7125 (4)	0.0215 (10)
H45	0.4125	1.1853	0.7867	0.026*
C1'	0.35616 (10)	0.8126 (5)	0.6621 (3)	0.0139 (9)
B2'	0.34561 (12)	0.6995 (6)	0.7450 (4)	0.0158 (10)
H2'	0.3630 (12)	0.624 (6)	0.778 (4)	0.019*
B3'	0.33377 (12)	0.9256 (6)	0.6090 (4)	0.0140 (10)
H3'	0.3431 (12)	0.985 (6)	0.542 (4)	0.017*
Co4'	0.318766 (15)	0.68705 (7)	0.60177 (5)	0.01299 (15)
B5'	0.34084 (13)	0.9237 (6)	0.7638 (4)	0.0158 (10)
H5'	0.3592 (12)	0.986 (6)	0.798 (4)	0.019*
B6'	0.30464 (13)	0.6421 (6)	0.7559 (4)	0.0158 (10)
H6'	0.3016 (12)	0.531 (6)	0.781 (4)	0.019*
B9'	0.32033 (12)	0.7762 (6)	0.8415 (4)	0.0165 (11)
H9'	0.3291 (12)	0.750 (6)	0.914 (4)	0.020*
B8'	0.30811 (13)	1.0264 (6)	0.6945 (4)	0.0165 (10)
H8'	0.3060 (12)	1.157 (6)	0.684 (4)	0.020*
B7'	0.29223 (12)	0.8950 (6)	0.6078 (4)	0.0146 (10)
H7'	0.2785 (12)	0.934 (6)	0.542 (4)	0.018*
B10'	0.27700 (12)	0.7382 (6)	0.6799 (4)	0.0156 (10)
H10'	0.2548 (12)	0.692 (6)	0.657 (4)	0.019*
B11'	0.30301 (13)	0.9526 (6)	0.8163 (4)	0.0172 (11)
H11'	0.2993 (12)	1.041 (6)	0.872 (4)	0.021*
C12'	0.27649 (11)	0.9226 (5)	0.7224 (3)	0.0164 (9)
H12'	0.2575 (13)	0.970 (6)	0.723 (4)	0.020*
B13'	0.28065 (13)	0.7803 (6)	0.8105 (4)	0.0168 (11)
H13'	0.2605 (12)	0.764 (6)	0.864 (4)	0.020*
C41'	0.29696 (12)	0.4935 (6)	0.5517 (4)	0.0246 (11)
H41'	0.2794	0.4402	0.5849	0.030*
C42'	0.32922 (12)	0.4628 (5)	0.5657 (4)	0.0208 (10)
H42'	0.3382	0.3855	0.6116	0.025*
C43'	0.34619 (12)	0.5607 (6)	0.5010 (4)	0.0199 (10)
H43'	0.3692	0.5656	0.4955	0.024*
C44'	0.32471 (12)	0.6543 (6)	0.4482 (4)	0.0209 (10)
H44'	0.3301	0.7340	0.3985	0.025*
C45'	0.29445 (12)	0.6127 (6)	0.4784 (4)	0.0239 (11)
H45'	0.2747	0.6570	0.4526	0.029*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.018 (2)	0.0061 (19)	0.020 (2)	−0.0033 (18)	0.0005 (17)	0.0004 (17)
B2	0.018 (3)	0.010 (2)	0.021 (3)	−0.002 (2)	−0.002 (2)	0.000 (2)
B3	0.019 (3)	0.011 (2)	0.020 (3)	−0.003 (2)	0.000 (2)	0.001 (2)
Co4	0.0174 (3)	0.0084 (3)	0.0169 (3)	−0.0019 (2)	0.0001 (2)	0.0006 (2)
B5	0.018 (3)	0.012 (2)	0.027 (3)	0.003 (2)	−0.003 (2)	−0.004 (2)
B6	0.014 (2)	0.017 (3)	0.018 (2)	0.001 (2)	−0.0060 (19)	0.002 (2)
B9	0.015 (3)	0.015 (3)	0.027 (3)	−0.001 (2)	−0.001 (2)	0.003 (2)
B8	0.020 (3)	0.017 (3)	0.020 (3)	−0.002 (2)	0.000 (2)	−0.005 (2)
B7	0.019 (3)	0.015 (3)	0.020 (3)	−0.002 (2)	0.003 (2)	0.000 (2)
B10	0.016 (3)	0.014 (3)	0.025 (3)	0.000 (2)	0.004 (2)	−0.001 (2)
B11	0.020 (3)	0.015 (3)	0.027 (3)	0.001 (2)	−0.001 (2)	−0.001 (2)
C12	0.016 (2)	0.014 (2)	0.026 (3)	−0.0006 (19)	−0.0014 (19)	0.0011 (19)
B13	0.018 (3)	0.015 (3)	0.028 (3)	0.001 (2)	0.001 (2)	−0.003 (2)
C41	0.026 (3)	0.009 (2)	0.026 (3)	0.001 (2)	0.001 (2)	−0.0008 (19)
C42	0.033 (3)	0.008 (2)	0.025 (2)	0.002 (2)	−0.005 (2)	0.0030 (19)
C43	0.035 (3)	0.006 (2)	0.030 (3)	−0.004 (2)	0.009 (2)	0.0049 (19)
C44	0.026 (3)	0.007 (2)	0.038 (3)	−0.006 (2)	−0.004 (2)	0.001 (2)
C45	0.032 (3)	0.008 (2)	0.025 (2)	0.003 (2)	0.001 (2)	−0.0039 (19)
C1'	0.012 (2)	0.015 (2)	0.015 (2)	−0.0021 (18)	−0.0013 (16)	−0.0023 (17)
B2'	0.014 (2)	0.015 (3)	0.018 (2)	0.000 (2)	0.0004 (19)	0.000 (2)
B3'	0.012 (2)	0.010 (2)	0.019 (2)	−0.0002 (19)	−0.0001 (19)	−0.0017 (19)
Co4'	0.0142 (3)	0.0095 (3)	0.0152 (3)	−0.0003 (2)	−0.0007 (2)	−0.0006 (2)
B5'	0.018 (3)	0.017 (3)	0.012 (2)	0.001 (2)	−0.0001 (19)	0.0013 (19)
B6'	0.019 (3)	0.012 (2)	0.017 (2)	0.000 (2)	0.001 (2)	0.0042 (19)
B9'	0.016 (3)	0.018 (3)	0.015 (2)	0.000 (2)	−0.001 (2)	0.0033 (19)
B8'	0.021 (3)	0.012 (2)	0.017 (2)	0.001 (2)	0.000 (2)	0.0019 (19)
B7'	0.017 (3)	0.011 (2)	0.016 (2)	0.003 (2)	0.0010 (19)	0.0009 (19)
B10'	0.014 (3)	0.013 (2)	0.020 (3)	0.001 (2)	0.001 (2)	0.0029 (19)
B11'	0.018 (3)	0.016 (3)	0.018 (3)	0.001 (2)	0.002 (2)	0.000 (2)
C12'	0.017 (2)	0.014 (2)	0.018 (2)	0.0057 (18)	0.0038 (18)	0.0003 (18)
B13'	0.022 (3)	0.012 (2)	0.016 (2)	0.001 (2)	0.000 (2)	−0.0002 (19)
C41'	0.023 (3)	0.020 (2)	0.032 (3)	−0.011 (2)	0.003 (2)	−0.014 (2)
C42'	0.027 (3)	0.004 (2)	0.031 (3)	0.0011 (18)	−0.001 (2)	−0.0044 (18)
C43'	0.020 (2)	0.017 (2)	0.023 (2)	−0.001 (2)	−0.0002 (19)	−0.0115 (19)
C44'	0.025 (3)	0.018 (2)	0.020 (2)	−0.001 (2)	−0.0013 (19)	−0.0037 (18)
C45'	0.026 (3)	0.021 (3)	0.024 (3)	0.001 (2)	−0.006 (2)	−0.010 (2)

Geometric parameters (Å, º)

C1—B2	1.575 (7)	C1'—B2'	1.567 (7)
C1—B3	1.554 (7)	C1'—B3'	1.563 (7)
C1—Co4	2.129 (4)	C1'—Co4'	2.122 (4)
C1—B5	1.792 (7)	C1'—B5'	1.810 (7)
C1—C1'	1.533 (6)	B2'—H2'	1.10 (5)
B2—H2	1.10 (5)	B2'—Co4'	2.250 (5)
B2—Co4	2.227 (5)	B2'—B5'	2.011 (8)
B2—B5	2.000 (8)	B2'—B6'	1.849 (8)
B2—B6	1.823 (8)	B2'—B9'	1.829 (8)
B2—B9	1.828 (8)	B3'—H3'	1.12 (5)
B3—H3	1.14 (5)	B3'—Co4'	2.210 (5)
B3—Co4	2.233 (5)	B3'—B5'	2.102 (7)
B3—B5	2.098 (8)	B3'—B8'	1.831 (8)
B3—B8	1.841 (8)	B3'—B7'	1.816 (8)
B3—B7	1.838 (8)	Co4'—B6'	2.198 (5)
Co4—B6	2.168 (5)	Co4'—B7'	2.170 (5)
Co4—B7	2.208 (5)	Co4'—B10'	2.140 (5)
Co4—B10	2.144 (6)	Co4'—C41'	2.067 (5)
Co4—C41	2.118 (5)	Co4'—C42'	2.093 (4)
Co4—C42	2.096 (5)	Co4'—C43'	2.121 (5)
Co4—C43	2.075 (5)	Co4'—C44'	2.101 (5)
Co4—C44	2.077 (5)	Co4'—C45'	2.070 (5)
Co4—C45	2.115 (5)	B5'—H5'	1.07 (5)
B5—H5	1.12 (6)	B5'—B9'	1.894 (8)
B5—B9	1.887 (8)	B5'—B8'	1.921 (8)
B5—B8	1.941 (8)	B5'—B11'	1.801 (8)
B5—B11	1.810 (8)	B6'—H6'	1.05 (5)
B6—H6	1.12 (5)	B6'—B9'	1.785 (8)
B6—B9	1.788 (8)	B6'—B10'	1.787 (8)
B6—B10	1.814 (8)	B6'—B13'	1.765 (8)
B6—C12	1.702 (7)	B9'—H9'	1.07 (5)
B9—H9	1.09 (5)	B9'—B11'	1.764 (8)
B9—B11	1.771 (8)	B9'—B13'	1.765 (8)
B9—C12	1.689 (7)	B8'—H8'	1.17 (5)
B8—H8	1.17 (5)	B8'—B7'	1.784 (8)
B8—B7	1.793 (8)	B8'—B11'	1.776 (7)
B8—B11	1.756 (8)	B8'—C12'	1.690 (7)
B8—B13	1.763 (8)	B7'—H7'	1.12 (5)
B7—H7	1.10 (5)	B7'—B10'	1.817 (7)
B7—B10	1.799 (8)	B7'—C12'	1.704 (7)
B7—B13	1.763 (8)	B10'—H10'	1.09 (5)
B10—H10	1.05 (5)	B10'—C12'	1.729 (7)
B10—C12	1.728 (7)	B10'—B13'	1.802 (8)
B10—B13	1.804 (8)	B11'—H11'	1.09 (5)
B11—H11	0.99 (6)	B11'—C12'	1.724 (7)
B11—C12	1.728 (8)	B11'—B13'	1.807 (8)
B11—B13	1.793 (8)	C12'—H12'	0.93 (5)
C12—H12	0.97 (6)	C12'—B13'	1.738 (7)
C12—B13	1.726 (8)	B13'—H13'	1.14 (5)
B13—H13	1.10 (5)	C41'—H41'	1.0000
C41—H41	1.0000	C41'—C42'	1.434 (7)
C41—C42	1.436 (7)	C41'—C45'	1.447 (8)
C41—C45	1.427 (7)	C42'—H42'	1.0000
C42—H42	1.0000	C42'—C43'	1.431 (7)
C42—C43	1.430 (7)	C43'—H43'	1.0000
C43—H43	1.0000	C43'—C44'	1.432 (7)
C43—C44	1.453 (7)	C44'—H44'	1.0000
C44—H44	1.0000	C44'—C45'	1.420 (7)
C44—C45	1.439 (7)	C45'—H45'	1.0000
C45—H45	1.0000
B2—C1—Co4	72.2 (3)	C1—C1'—B2'	117.5 (4)
B2—C1—B5	72.5 (3)	C1—C1'—B3'	118.9 (4)
B3—C1—B2	123.3 (4)	C1—C1'—Co4'	131.9 (3)
B3—C1—Co4	72.8 (3)	C1—C1'—B5'	121.0 (4)
B3—C1—B5	77.3 (3)	B2'—C1'—Co4'	73.4 (3)
B5—C1—Co4	107.4 (3)	B2'—C1'—B5'	72.7 (3)
C1'—C1—B2	117.4 (4)	B3'—C1'—B2'	123.5 (4)
C1'—C1—B3	119.2 (4)	B3'—C1'—Co4'	71.9 (3)
C1'—C1—Co4	131.2 (3)	B3'—C1'—B5'	76.7 (3)
C1'—C1—B5	121.3 (4)	B5'—C1'—Co4'	107.1 (3)
C1—B2—H2	117 (3)	C1'—B2'—H2'	118 (3)
C1—B2—Co4	65.5 (2)	C1'—B2'—Co4'	64.7 (2)
C1—B2—B5	58.8 (3)	C1'—B2'—B5'	59.2 (3)
C1—B2—B6	121.1 (4)	C1'—B2'—B6'	120.8 (4)
C1—B2—B9	115.8 (4)	C1'—B2'—B9'	116.3 (4)
Co4—B2—H2	131 (3)	Co4'—B2'—H2'	132 (3)
B5—B2—H2	127 (3)	B5'—B2'—H2'	128 (3)
B5—B2—Co4	96.8 (3)	B5'—B2'—Co4'	95.9 (3)
B6—B2—H2	118 (3)	B6'—B2'—H2'	117 (3)
B6—B2—Co4	63.8 (2)	B6'—B2'—Co4'	64.0 (2)
B6—B2—B5	100.1 (4)	B6'—B2'—B5'	99.3 (3)
B6—B2—B9	58.6 (3)	B9'—B2'—H2'	110 (3)
B9—B2—H2	111 (3)	B9'—B2'—Co4'	108.5 (3)
B9—B2—Co4	109.0 (3)	B9'—B2'—B5'	58.9 (3)
B9—B2—B5	58.9 (3)	B9'—B2'—B6'	58.1 (3)
C1—B3—H3	120 (3)	C1'—B3'—H3'	116 (3)
C1—B3—Co4	65.6 (3)	C1'—B3'—Co4'	65.9 (2)
C1—B3—B5	56.4 (3)	C1'—B3'—B5'	56.9 (3)
C1—B3—B8	113.8 (4)	C1'—B3'—B8'	113.6 (4)
C1—B3—B7	121.7 (4)	C1'—B3'—B7'	121.4 (4)
Co4—B3—H3	129 (3)	Co4'—B3'—H3'	121 (3)
B5—B3—H3	133 (3)	B5'—B3'—H3'	138 (3)
B5—B3—Co4	93.9 (3)	B5'—B3'—Co4'	94.5 (3)
B8—B3—H3	112 (3)	B8'—B3'—H3'	120 (3)
B8—B3—Co4	108.5 (3)	B8'—B3'—Co4'	108.4 (3)
B8—B3—B5	58.6 (3)	B8'—B3'—B5'	58.0 (3)
B7—B3—H3	115 (3)	B7'—B3'—H3'	115 (3)
B7—B3—Co4	64.8 (2)	B7'—B3'—Co4'	64.3 (2)
B7—B3—B5	98.8 (3)	B7'—B3'—B5'	98.6 (3)
B7—B3—B8	58.3 (3)	B7'—B3'—B8'	58.6 (3)
C1—Co4—B2	42.32 (18)	C1'—Co4'—B2'	41.87 (18)
C1—Co4—B3	41.66 (18)	C1'—Co4'—B3'	42.24 (18)
C1—Co4—B6	87.14 (19)	C1'—Co4'—B6'	86.96 (19)
C1—Co4—B7	86.24 (19)	C1'—Co4'—B7'	86.81 (19)
C1—Co4—B10	110.1 (2)	C1'—Co4'—B10'	110.17 (19)
B2—Co4—B3	76.3 (2)	B3'—Co4'—B2'	76.4 (2)
B6—Co4—B2	49.0 (2)	B6'—Co4'—B2'	49.1 (2)
B6—Co4—B3	102.1 (2)	B6'—Co4'—B3'	102.3 (2)
B6—Co4—B7	88.2 (2)	B7'—Co4'—B2'	101.5 (2)
B7—Co4—B2	101.3 (2)	B7'—Co4'—B3'	49.0 (2)
B7—Co4—B3	48.9 (2)	B7'—Co4'—B6'	88.3 (2)
B10—Co4—B2	90.9 (2)	B10'—Co4'—B2'	90.2 (2)
B10—Co4—B3	90.6 (2)	B10'—Co4'—B3'	91.4 (2)
B10—Co4—B6	49.7 (2)	B10'—Co4'—B6'	48.6 (2)
B10—Co4—B7	48.8 (2)	B10'—Co4'—B7'	49.9 (2)
C41—Co4—C1	96.42 (18)	C41'—Co4'—C1'	154.9 (2)
C41—Co4—B2	109.3 (2)	C41'—Co4'—B2'	123.6 (2)
C41—Co4—B3	110.3 (2)	C41'—Co4'—B3'	159.9 (2)
C41—Co4—B6	134.7 (2)	C41'—Co4'—B6'	91.7 (2)
C41—Co4—B7	137.0 (2)	C41'—Co4'—B7'	118.3 (2)
C41—Co4—B10	153.5 (2)	C41'—Co4'—B10'	87.1 (2)
C42—Co4—C1	111.89 (19)	C41'—Co4'—C42'	40.3 (2)
C42—Co4—B2	144.7 (2)	C41'—Co4'—C43'	67.08 (19)
C42—Co4—B3	97.1 (2)	C41'—Co4'—C44'	67.8 (2)
C42—Co4—B6	159.7 (2)	C41'—Co4'—C45'	40.9 (2)
C42—Co4—B7	99.6 (2)	C42'—Co4'—C1'	114.86 (19)
C42—Co4—B10	124.2 (2)	C42'—Co4'—B2'	97.7 (2)
C42—Co4—C41	39.85 (19)	C42'—Co4'—B3'	148.47 (19)
C42—Co4—C45	67.2 (2)	C42'—Co4'—B6'	96.2 (2)
C43—Co4—C1	150.6 (2)	C42'—Co4'—B7'	158.0 (2)
C43—Co4—B2	164.4 (2)	C42'—Co4'—B10'	119.8 (2)
C43—Co4—B3	119.3 (2)	C42'—Co4'—C43'	39.71 (19)
C43—Co4—B6	122.0 (2)	C42'—Co4'—C44'	67.3 (2)
C43—Co4—B7	90.2 (2)	C43'—Co4'—C1'	95.37 (18)
C43—Co4—B10	88.9 (2)	C43'—Co4'—B2'	106.51 (19)
C43—Co4—C41	67.0 (2)	C43'—Co4'—B3'	111.5 (2)
C43—Co4—C42	40.1 (2)	C43'—Co4'—B6'	131.6 (2)
C43—Co4—C44	41.0 (2)	C43'—Co4'—B7'	140.1 (2)
C43—Co4—C45	67.7 (2)	C43'—Co4'—B10'	154.0 (2)
C44—Co4—C1	155.0 (2)	C44'—Co4'—C1'	110.71 (18)
C44—Co4—B2	123.5 (2)	C44'—Co4'—B2'	141.6 (2)
C44—Co4—B3	160.2 (2)	C44'—Co4'—B3'	98.0 (2)
C44—Co4—B6	91.9 (2)	C44'—Co4'—B6'	159.4 (2)
C44—Co4—B7	118.7 (2)	C44'—Co4'—B7'	102.7 (2)
C44—Co4—B10	87.8 (2)	C44'—Co4'—B10'	128.1 (2)
C44—Co4—C41	67.0 (2)	C44'—Co4'—C43'	39.64 (19)
C44—Co4—C42	67.9 (2)	C45'—Co4'—C1'	149.2 (2)
C44—Co4—C45	40.1 (2)	C45'—Co4'—B2'	164.2 (2)
C45—Co4—C1	115.40 (19)	C45'—Co4'—B3'	119.2 (2)
C45—Co4—B2	99.56 (19)	C45'—Co4'—B6'	123.8 (2)
C45—Co4—B3	147.0 (2)	C45'—Co4'—B7'	91.8 (2)
C45—Co4—B6	98.9 (2)	C45'—Co4'—B10'	91.9 (2)
C45—Co4—B7	157.4 (2)	C45'—Co4'—C42'	67.8 (2)
C45—Co4—B10	122.4 (2)	C45'—Co4'—C43'	66.7 (2)
C45—Co4—C41	39.39 (19)	C45'—Co4'—C44'	39.8 (2)
C1—B5—B2	48.7 (2)	C1'—B5'—B2'	48.1 (2)
C1—B5—B3	46.3 (2)	C1'—B5'—B3'	46.4 (2)
C1—B5—H5	114 (3)	C1'—B5'—H5'	109 (3)
C1—B5—B9	103.3 (4)	C1'—B5'—B9'	102.4 (4)
C1—B5—B8	99.4 (3)	C1'—B5'—B8'	99.3 (3)
C1—B5—B11	134.8 (4)	B2'—B5'—B3'	84.2 (3)
B2—B5—B3	84.4 (3)	B2'—B5'—H5'	119 (3)
B2—B5—H5	125 (3)	B3'—B5'—H5'	122 (3)
B3—B5—H5	122 (3)	B9'—B5'—B2'	55.8 (3)
B9—B5—B2	56.0 (3)	B9'—B5'—B3'	118.9 (4)
B9—B5—B3	119.1 (4)	B9'—B5'—H5'	118 (3)
B9—B5—H5	119 (3)	B9'—B5'—B8'	104.4 (4)
B9—B5—B8	103.8 (4)	B8'—B5'—B2'	118.8 (4)
B8—B5—B2	118.8 (4)	B8'—B5'—B3'	53.9 (3)
B8—B5—B3	54.0 (3)	B8'—B5'—H5'	121 (3)
B8—B5—H5	115 (3)	B11'—B5'—C1'	135.0 (4)
B11—B5—B2	106.6 (4)	B11'—B5'—B2'	106.4 (4)
B11—B5—B3	103.9 (4)	B11'—B5'—B3'	104.8 (3)
B11—B5—H5	111 (3)	B11'—B5'—H5'	116 (3)
B11—B5—B9	57.2 (3)	B11'—B5'—B9'	57.0 (3)
B11—B5—B8	55.7 (3)	B11'—B5'—B8'	56.9 (3)
B2—B6—Co4	67.2 (2)	B2'—B6'—Co4'	66.9 (2)
B2—B6—H6	119 (3)	B2'—B6'—H6'	114 (3)
Co4—B6—H6	123 (3)	Co4'—B6'—H6'	121 (3)
B9—B6—B2	60.8 (3)	B9'—B6'—B2'	60.4 (3)
B9—B6—Co4	113.2 (3)	B9'—B6'—Co4'	112.4 (3)
B9—B6—H6	118 (3)	B9'—B6'—H6'	117 (3)
B9—B6—B10	107.3 (4)	B9'—B6'—B10'	107.8 (4)
B10—B6—B2	117.9 (4)	B10'—B6'—B2'	117.7 (4)
B10—B6—Co4	64.5 (2)	B10'—B6'—Co4'	64.0 (2)
B10—B6—H6	118 (3)	B10'—B6'—H6'	123 (3)
C12—B6—B2	110.7 (4)	B13'—B6'—B2'	114.0 (4)
C12—B6—Co4	112.0 (3)	B13'—B6'—Co4'	115.6 (3)
C12—B6—H6	116 (3)	B13'—B6'—H6'	116 (3)
C12—B6—B9	57.8 (3)	B13'—B6'—B9'	59.6 (3)
C12—B6—B10	58.8 (3)	B13'—B6'—B10'	61.0 (3)
B2—B9—B5	65.1 (3)	B2'—B9'—B5'	65.4 (3)
B2—B9—H9	113 (3)	B2'—B9'—H9'	111 (3)
B5—B9—H9	129 (3)	B5'—B9'—H9'	119 (3)
B6—B9—B2	60.5 (3)	B6'—B9'—B2'	61.5 (3)
B6—B9—B5	105.9 (4)	B6'—B9'—B5'	106.3 (4)
B6—B9—H9	117 (3)	B6'—B9'—H9'	125 (3)
B11—B9—B2	116.2 (4)	B11'—B9'—B2'	116.5 (4)
B11—B9—B5	59.2 (3)	B11'—B9'—B5'	58.9 (3)
B11—B9—B6	107.9 (4)	B11'—B9'—B6'	107.7 (4)
B11—B9—H9	125 (3)	B11'—B9'—H9'	121 (3)
C12—B9—B2	111.0 (4)	B11'—B9'—B13'	61.6 (3)
C12—B9—B5	104.5 (4)	B13'—B9'—B2'	115.0 (4)
C12—B9—B6	58.5 (3)	B13'—B9'—B5'	108.2 (4)
C12—B9—H9	120 (3)	B13'—B9'—B6'	59.6 (3)
C12—B9—B11	59.9 (3)	B13'—B9'—H9'	124 (3)
B3—B8—B5	67.3 (3)	B3'—B8'—B5'	68.1 (3)
B3—B8—H8	110 (3)	B3'—B8'—H8'	117 (3)
B5—B8—H8	122 (3)	B5'—B8'—H8'	126 (3)
B7—B8—B3	60.8 (3)	B7'—B8'—B3'	60.3 (3)
B7—B8—B5	106.5 (4)	B7'—B8'—B5'	106.9 (4)
B7—B8—H8	123 (3)	B7'—B8'—H8'	122 (3)
B11—B8—B3	117.9 (4)	B11'—B8'—B3'	118.4 (4)
B11—B8—B5	58.4 (3)	B11'—B8'—B5'	58.2 (3)
B11—B8—H8	123 (3)	B11'—B8'—H8'	118 (3)
B11—B8—B7	107.9 (4)	B11'—B8'—B7'	108.4 (4)
B11—B8—B13	61.3 (3)	C12'—B8'—B3'	111.5 (4)
B13—B8—B3	114.3 (4)	C12'—B8'—B5'	103.4 (3)
B13—B8—B5	107.0 (4)	C12'—B8'—H8'	120 (3)
B13—B8—H8	124 (3)	C12'—B8'—B7'	58.7 (3)
B13—B8—B7	59.4 (3)	C12'—B8'—B11'	59.6 (3)
B3—B7—Co4	66.3 (2)	B3'—B7'—Co4'	66.7 (2)
B3—B7—H7	111 (3)	B3'—B7'—H7'	119 (3)
Co4—B7—H7	115 (3)	B3'—B7'—B10'	117.9 (4)
B8—B7—B3	60.9 (3)	Co4'—B7'—H7'	121 (3)
B8—B7—Co4	111.4 (3)	B8'—B7'—B3'	61.1 (3)
B8—B7—H7	122 (3)	B8'—B7'—Co4'	112.0 (3)
B8—B7—B10	107.4 (4)	B8'—B7'—H7'	121 (3)
B10—B7—B3	117.7 (4)	B8'—B7'—B10'	106.7 (4)
B10—B7—Co4	63.8 (2)	B10'—B7'—Co4'	64.2 (2)
B10—B7—H7	122 (3)	B10'—B7'—H7'	118 (3)
B13—B7—B3	114.4 (4)	C12'—B7'—B3'	111.5 (4)
B13—B7—Co4	114.8 (3)	C12'—B7'—Co4'	111.6 (3)
B13—B7—B8	59.4 (3)	C12'—B7'—B8'	57.9 (3)
B13—B7—H7	122 (3)	C12'—B7'—H7'	117 (3)
B13—B7—B10	60.8 (3)	C12'—B7'—B10'	58.7 (3)
Co4—B10—H10	120 (3)	Co4'—B10'—H10'	121 (3)
B6—B10—Co4	65.8 (2)	B6'—B10'—Co4'	67.4 (2)
B6—B10—H10	116 (3)	B6'—B10'—B7'	115.2 (4)
B7—B10—Co4	67.5 (3)	B6'—B10'—H10'	125 (3)
B7—B10—B6	114.9 (4)	B6'—B10'—B13'	58.9 (3)
B7—B10—H10	126 (3)	B7'—B10'—Co4'	65.9 (2)
B7—B10—B13	58.6 (3)	B7'—B10'—H10'	117 (3)
C12—B10—Co4	111.9 (3)	C12'—B10'—Co4'	111.9 (3)
C12—B10—B6	57.4 (3)	C12'—B10'—B6'	105.6 (4)
C12—B10—B7	105.5 (4)	C12'—B10'—B7'	57.4 (3)
C12—B10—H10	116 (3)	C12'—B10'—H10'	116 (3)
C12—B10—B13	58.4 (3)	C12'—B10'—B13'	58.9 (3)
B13—B10—Co4	116.0 (3)	B13'—B10'—Co4'	116.7 (3)
B13—B10—B6	108.4 (4)	B13'—B10'—B7'	109.3 (4)
B13—B10—H10	118 (3)	B13'—B10'—H10'	116 (3)
B5—B11—H11	127 (3)	B5'—B11'—H11'	120 (3)
B9—B11—B5	63.6 (3)	B5'—B11'—B13'	110.5 (4)
B9—B11—H11	116 (3)	B9'—B11'—B5'	64.2 (3)
B9—B11—B13	109.8 (4)	B9'—B11'—B8'	116.7 (4)
B8—B11—B5	65.9 (3)	B9'—B11'—H11'	124 (3)
B8—B11—B9	117.4 (4)	B9'—B11'—B13'	59.2 (3)
B8—B11—H11	123 (3)	B8'—B11'—B5'	64.9 (3)
B8—B11—B13	59.6 (3)	B8'—B11'—H11'	113 (3)
C12—B11—B5	106.2 (4)	B8'—B11'—B13'	109.8 (4)
C12—B11—B9	57.7 (3)	C12'—B11'—B5'	107.1 (4)
C12—B11—B8	106.8 (4)	C12'—B11'—B9'	106.6 (4)
C12—B11—H11	117 (3)	C12'—B11'—B8'	57.7 (3)
C12—B11—B13	58.7 (3)	C12'—B11'—H11'	121 (3)
B13—B11—B5	111.6 (4)	C12'—B11'—B13'	58.9 (3)
B13—B11—H11	116 (3)	B13'—B11'—H11'	123 (3)
B6—C12—B10	63.8 (3)	B8'—C12'—B7'	63.4 (3)
B6—C12—B11	114.0 (4)	B8'—C12'—B10'	115.4 (4)
B6—C12—H12	114 (3)	B8'—C12'—B11'	62.7 (3)
B6—C12—B13	117.7 (4)	B8'—C12'—H12'	118 (3)
B9—C12—B6	63.6 (3)	B8'—C12'—B13'	117.5 (4)
B9—C12—B10	116.2 (4)	B7'—C12'—B10'	63.9 (3)
B9—C12—B11	62.4 (3)	B7'—C12'—B11'	114.7 (4)
B9—C12—H12	116 (3)	B7'—C12'—H12'	116 (3)
B9—C12—B13	117.3 (4)	B7'—C12'—B13'	118.1 (4)
B10—C12—H12	116 (3)	B10'—C12'—H12'	117 (3)
B11—C12—B10	112.3 (4)	B10'—C12'—B13'	62.6 (3)
B11—C12—H12	123 (3)	B11'—C12'—B10'	112.2 (4)
B13—C12—B10	63.0 (3)	B11'—C12'—H12'	121 (3)
B13—C12—B11	62.5 (3)	B11'—C12'—B13'	62.9 (3)
B13—C12—H12	117 (3)	B13'—C12'—H12'	114 (3)
B8—B13—B10	108.5 (4)	B6'—B13'—B9'	60.8 (3)
B8—B13—B11	59.2 (3)	B6'—B13'—B10'	60.1 (3)
B8—B13—H13	124 (3)	B6'—B13'—B11'	106.7 (4)
B7—B13—B8	61.1 (3)	B6'—B13'—H13'	129 (3)
B7—B13—B10	60.6 (3)	B9'—B13'—B10'	108.0 (4)
B7—B13—B11	107.6 (4)	B9'—B13'—B11'	59.2 (3)
B7—B13—H13	124 (3)	B9'—B13'—H13'	126 (3)
B10—B13—H13	122 (3)	B10'—B13'—B11'	105.2 (4)
B11—B13—B10	105.9 (4)	B10'—B13'—H13'	121 (3)
B11—B13—H13	121 (3)	B11'—B13'—H13'	119 (3)
C12—B13—B8	106.6 (4)	C12'—B13'—B6'	106.2 (4)
C12—B13—B7	107.2 (4)	C12'—B13'—B9'	105.9 (4)
C12—B13—B10	58.6 (3)	C12'—B13'—B10'	58.4 (3)
C12—B13—B11	58.8 (3)	C12'—B13'—B11'	58.2 (3)
C12—B13—H13	120 (3)	C12'—B13'—H13'	116 (3)
Co4—C41—H41	125.5	Co4'—C41'—H41'	126.3
C42—C41—Co4	69.3 (3)	C42'—C41'—Co4'	70.8 (3)
C42—C41—H41	125.5	C42'—C41'—H41'	126.3
C45—C41—Co4	70.2 (3)	C42'—C41'—C45'	107.4 (5)
C45—C41—H41	125.5	C45'—C41'—Co4'	69.6 (3)
C45—C41—C42	108.9 (5)	C45'—C41'—H41'	126.3
Co4—C42—H42	126.1	Co4'—C42'—H42'	126.1
C41—C42—Co4	70.9 (3)	C41'—C42'—Co4'	68.9 (3)
C41—C42—H42	126.1	C41'—C42'—H42'	126.1
C43—C42—Co4	69.2 (3)	C43'—C42'—Co4'	71.2 (3)
C43—C42—C41	107.7 (4)	C43'—C42'—C41'	107.8 (5)
C43—C42—H42	126.1	C43'—C42'—H42'	126.1
Co4—C43—H43	126.0	Co4'—C43'—H43'	125.7
C42—C43—Co4	70.7 (3)	C42'—C43'—Co4'	69.1 (3)
C42—C43—H43	126.0	C42'—C43'—H43'	125.7
C42—C43—C44	107.9 (4)	C42'—C43'—C44'	108.6 (4)
C44—C43—Co4	69.6 (3)	C44'—C43'—Co4'	69.5 (3)
C44—C43—H43	126.0	C44'—C43'—H43'	125.7
Co4—C44—H44	126.1	Co4'—C44'—H44'	126.1
C43—C44—Co4	69.5 (3)	C43'—C44'—Co4'	70.9 (3)
C43—C44—H44	126.1	C43'—C44'—H44'	126.1
C45—C44—Co4	71.4 (3)	C45'—C44'—Co4'	68.9 (3)
C45—C44—C43	107.7 (5)	C45'—C44'—C43'	107.8 (5)
C45—C44—H44	126.1	C45'—C44'—H44'	126.1
Co4—C45—H45	126.1	Co4'—C45'—H45'	125.8
C41—C45—Co4	70.4 (3)	C41'—C45'—Co4'	69.4 (3)
C41—C45—C44	107.8 (4)	C41'—C45'—H45'	125.8
C41—C45—H45	126.1	C44'—C45'—Co4'	71.3 (3)
C44—C45—Co4	68.5 (3)	C44'—C45'—C41'	108.4 (5)
C44—C45—H45	126.1	C44'—C45'—H45'	125.8