η⁵-(3)-1-Methyl-1,2-dicarbollyl-η⁵-2′,5′-dimethylpyrrolylcobalt(III)

In the title compound, (η⁵-2,5-di­methyl­pyrrolyl)[(7,8,9,10,11-η)-7-methyl-7,8-dicarba-nido-undecaborato]­cobalt(III), [3-Co{η⁵-[2,5-(CH₃)₂-NC₄H₂]}-1-CH₃-1,2-C₂B₉H₁₀] or [Co(C₃H₁₃B₉)(C₆H₈N)], the Co^III atom is sandwiched between the pentagonal faces of the pyrrolyl and dicarbollide ligands, resulting in a neutral mol­ecule. The C—C distance in the dicarbollide cage is 1.649 (3) Å.

S1. Comment

Our studies concerning 1,2-dicarba-closo-dodecaborane(12) s have shown that the C1—C2 (C_c—C_c) distance in the cage can be modified by substituting the cluster carbons (Sillanpää et al., 1996). We have previously prepared mixed cobalt pyrrolyl/dicarbollide closo compounds (Bertran et al., 1997; Gómez et al., 1997; Lamrani et al., 1996; Teixidor et al., 1997). It seems that from a structural point of view the cobaltacarborane cluster in these compounds resembles normal closo architecture. In order to obtain more information on the C_c—C_c distances as a function of the C_c subtituent in the mixed cobalt pyrrolyl/dicarbollide closo compounds the crystal structure of [3-Co{η⁵-(2,5-(CH₃)₂-NC₄H₂)}-1-CH₃– 1,2-C₂B₉H₁₀], (I), is now reported. \sch

A perspective view of the compound is shown in Fig. 1. The metal is sandwiched by pentagonal faces of the monoanionic 2,5-dimethylpyrrolyl and dianionic dicarbollide ligands so that conformation of the faces is staggered with the pyrrolyl nitrogen N13 being placed between the cluster carbons. Theoretical calculations show that this is the most stable conformation for [3-Co{η⁵-(NC₄H₄)}-1,2-C₂B₉H₁₁], even though energy difference between different rotamers is low (Teixidor et al., 2000).

Bond lengths in (I) from five-membered rings to Co3 are normal varying from 2.013 (2) to 2.079 (2) Å. The coordinated pentagonal faces are not exactly parallel as the dihedral angle between the planes through the faces is 6.9 (1)°. In (I), the C_c—C_c distance of 1.649 (3) Å agrees with the value of 1.640 (7) Å in [3-Co{η⁵-(NC₄H₄)}-1,2-C₂B₉H₁₁] (Lamrani et al., 1996) but it is slightly shorter than the values in C_c—C_c-disubstituted compounds [3-Co{η⁵-(NC₄H₄)}-1-CH₃-2-nC₄H₉-1,2-C₂B₉H₉] (1.671 (7) Å), [3-Co{η⁵-(NC₄H₄)}-,1-C₆H₅-2-C₃H₅-1,2-C₂B₉H₉](1.737 (4) Å) (Teixidor et al., 1997) and [3-Co{η⁵-(NC₄H₅)}-1-CH₃-2- (C₃H₆NC₄H₄)-1,2-C₂B₉H₉] [1.692 (7) Å; Gómez et al., 1997].

This observation is in line with the effect of reported C_c-substituents on the lengthening of the C_c—C_c distance for o-carborane derivatives. In accordance with this, the effect of C_c-monosubstitution to the lengthening of the Cc—Cc distance is smaller than that of disubstitution.

Related literature

For related literature, see: Bertran et al. (1997); Gómez et al. (1997); Lamrani et al. (1996); Sillanpää et al. (1996); Teixidor et al. (1997, 2000).

S2. Experimental

Syntheses of compound (I):

Method A: 1-CH₃-1,2-C₂B₁₀H₁₁ (0.200 g, 1.20 mmol) was solved in a suspension of K[2,5-(CH₃)₂NC₄H₂] (1.90 g, 14.3 mmol) in THF (100 ml). After 4 h of stirring under reflux, anhydrous CoCl₂ (0.79 g, 6.0 mmol) was added. The reaction mixture was refluxed for 48 h more. After cooling, the solvent was evaporated in vacuo, and the resulting dark solid was treated with CH₂Cl₂ (80 ml). The suspension was filtered and the orange solution was concentrated to 1 ml. Chromatography of the crude orange solution using CH₂Cl₂/C₆H₁₄ (6/4) as the mobile phase provided a pure orange complex [R_f(prep) = 0.65] (yield 0.23 g, 61%).

Method B: To a potassium (0.51 g, 13.0 mmol) suspension in deoxygenated and dry THF (100 ml), 2,5-dimethylpyrrole (1.30 ml, 13.0 mmol) was added. Then, [N(CH₃)₄][7-CH₃-7,8-C₂B₉H₁₁] (0.44 g, 1.98 mmol) was incorporated to the mixture. After 4 h of stirring under reflux, anhydrous CoCl₂ (0.70 g, 5.30 mmol) was added. From that point the working up procedure was as for method A (yield 0.35 g, 59%). IR (KBr, ν, cm^-1) 3120 (C_c—H), 3029 (C—H), 2598, 2538, 2524(B—H). ¹H NMR, δ = 6.0 (s, C_pyr—H, 1H), 5.8 (s, C_pyr—H, 1H), 3.9 (br s, C_c—H, 1H), 3.5–1.0 (br, B—H), 2.4 (s, C_pyr—CH₃, 6H), 2.3 (s, CH₃, 3H). ¹H{¹¹B} NMR, δ = 6.0 (s, C_pyr—H, 1H), 5.8 (s, C_pyr—H, 1H), 3.9 (br s, C_c—H, 1H), 3.1 (br s, B—H, 4H), 1.8 (br s, B—H, 5H), 2.4 (s, C_pyr—CH₃, 6H), 2.3 (s, CH₃, 3H). ¹³C{¹H} NMR, δ = 124.7 (s, N—C_pyr), 124.2 (s, N—C_pyr), 89.6 (s, C_pyr –C_pyr), 87.6 (s, C_pyr –C_pyr), 74.9 (s, C_c—CH₃), 60.8 (s, C_c—H), 31.6 (s, C_c—CH₃), 13.6 (C_pyr –CH₃). ¹¹B NMR, δ = 6.2 (d, ¹J(B,H) = 149, 1B), 3.6 (d, ¹J(B,H) = 147, 1B), 0.2 (d, ¹J(B,H)= 153, 1B), -3.8 (d, ¹J(B,H) = 138, 2B), -4.3 (d, ¹J(B,H)= 161, 1B), -7.1 (d, ¹J(B,H)= 148, 1B), -11.8 (d, ¹J(B,H) = 160, 1B), -15.9 (d, ¹J(B,H) = 159, 1B). Analysis calculated for C₉B₉H₂₁CoN: C 36.09, H 7.07, N 4.68%. Found: C 36.20, H 7.00, N 4.85%.

S3. Refinement

Hydrogen atoms on the carbon atoms were treated as riding with C—H 0.93–0.96 Å; H atoms on B were refined with fixed isotropic displacement parameters, giving B—H distances in the range 1.04 (3)–1.12 (3) Å.

Computing details

Data collection: MSC/AFC5S Diffractometer Control Software (Molecular Structure Corporation, 1995); cell refinement: MSC/AFC5S Diffractometer Control Software; data reduction: TEXSAN (Molecular Structure Corporation, 1997); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

Figures

Fig. 1. ORTEP (Farrugia, 1997) plot of (I). Only the heavy atoms have been labelled. Displacement ellipsoids are drawn at the 30% probability level.

[3-Co{η⁵-(2,5-(CH₃)₂-NC₄H₂)}-1-CH₃-1,2-C₂B₉H₁₀]

Crystal data

[Co(C3H13B9)(C6H8N)]	F(000) = 616
Mr = 299.49	Dx = 1.299 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71069 Å
a = 8.1630 (11) Å	Cell parameters from 25 reflections
b = 16.3957 (10) Å	θ = 19.3–22.6°
c = 11.5686 (14) Å	µ = 1.10 mm^−1
β = 98.622 (11)°	T = 294 K
V = 1530.8 (3) Å^3	Prism, pale yellow
Z = 4	0.36 × 0.34 × 0.28 mm

Data collection

Rigaku AFC5S diffractometer	Rint = 0.012
Radiation source: fine-focus sealed tube	θmax = 25.0°, θmin = 2.2°
Graphite monochromator	h = 0→10
ω/2θ scans	k = 0→20
2894 measured reflections	l = −14→14
2695 independent reflections	3 standard reflections every 150 reflections
2187 reflections with I > 2σ(I)	intensity decay: 0.8%

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)] = 0.030	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.077	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	w = 1/[σ^2(Fo^2) + (0.0312P)^2 + 0.410P] where P = (Fo^2 + 2Fc^2)/3
2695 reflections	(Δ/σ)max < 0.001
211 parameters	Δρmax = 0.24 e Å^−3
0 restraints	Δρmin = −0.26 e Å^−3

Special details

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

Refinement. 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
Co3	0.13408 (4)	0.170357 (18)	0.79978 (3)	0.03072 (11)
N13	0.1873 (3)	0.05591 (12)	0.87318 (19)	0.0434 (5)
C1	0.0068 (3)	0.23262 (16)	0.9103 (2)	0.0399 (6)
C2	0.2038 (3)	0.25788 (15)	0.9191 (2)	0.0378 (6)
H2	0.281 (3)	0.2366 (15)	0.983 (2)	0.045*
C14	0.3207 (3)	0.08512 (14)	0.8257 (2)	0.0402 (6)
C15	0.2726 (3)	0.10099 (15)	0.7049 (2)	0.0455 (6)
H15	0.3388	0.1220	0.6532	0.055*
C16	0.1053 (4)	0.07877 (15)	0.6788 (2)	0.0514 (7)
H16	0.0388	0.0824	0.6064	0.062*
C17	0.0573 (3)	0.04991 (15)	0.7832 (3)	0.0499 (7)
C18	0.4878 (3)	0.09408 (18)	0.8956 (3)	0.0614 (8)
H18A	0.4770	0.1037	0.9759	0.092*
H18B	0.5441	0.1392	0.8663	0.092*
H18C	0.5503	0.0450	0.8897	0.092*
C19	−0.1039 (4)	0.0112 (2)	0.7998 (4)	0.0854 (12)
H19A	−0.1060	−0.0443	0.7731	0.128*
H19B	−0.1938	0.0408	0.7557	0.128*
H19C	−0.1153	0.0122	0.8812	0.128*
C20	−0.0470 (4)	0.17826 (19)	1.0040 (3)	0.0616 (8)
H20A	0.0487	0.1534	1.0485	0.092*
H20B	−0.1200	0.1366	0.9678	0.092*
H20C	−0.1038	0.2104	1.0549	0.092*
B4	−0.0865 (3)	0.23492 (18)	0.7673 (2)	0.0386 (6)
H4	−0.192 (3)	0.1991 (15)	0.741 (2)	0.046*
B5	−0.1128 (4)	0.3161 (2)	0.8659 (3)	0.0504 (8)
H5	−0.229 (3)	0.3207 (15)	0.897 (2)	0.061*
B6	0.0711 (4)	0.3287 (2)	0.9633 (3)	0.0505 (8)
H6	0.076 (3)	0.3375 (16)	1.053 (3)	0.061*
B7	0.2620 (3)	0.27767 (17)	0.7860 (2)	0.0374 (6)
H7	0.393 (3)	0.2691 (14)	0.775 (2)	0.045*
B8	0.0731 (4)	0.26539 (17)	0.6832 (2)	0.0372 (6)
H8	0.070 (3)	0.2508 (14)	0.589 (2)	0.045*
B9	−0.0712 (4)	0.33805 (19)	0.7234 (3)	0.0460 (7)
H9	−0.162 (3)	0.3660 (16)	0.660 (2)	0.055*
B10	0.0263 (4)	0.3957 (2)	0.8442 (3)	0.0545 (8)
H10	−0.003 (3)	0.4616 (17)	0.860 (2)	0.065*
B11	0.2290 (4)	0.35771 (19)	0.8842 (3)	0.0490 (8)
H11	0.337 (3)	0.3891 (15)	0.932 (2)	0.059*
B12	0.1431 (4)	0.36403 (18)	0.7346 (3)	0.0458 (7)
H12	0.187 (3)	0.4081 (16)	0.676 (2)	0.055*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co3	0.03022 (18)	0.02856 (17)	0.03384 (18)	0.00108 (13)	0.00636 (12)	0.00320 (14)
N13	0.0475 (13)	0.0277 (10)	0.0561 (14)	0.0044 (9)	0.0117 (11)	0.0091 (10)
C1	0.0356 (13)	0.0494 (15)	0.0362 (13)	0.0096 (11)	0.0102 (11)	0.0036 (11)
C2	0.0359 (13)	0.0412 (14)	0.0346 (13)	0.0053 (11)	−0.0004 (11)	−0.0011 (11)
C14	0.0425 (14)	0.0289 (12)	0.0500 (15)	0.0084 (11)	0.0099 (11)	−0.0018 (11)
C15	0.0597 (17)	0.0347 (13)	0.0460 (15)	0.0053 (12)	0.0211 (13)	−0.0034 (11)
C16	0.0631 (18)	0.0365 (14)	0.0496 (16)	0.0042 (13)	−0.0082 (14)	−0.0093 (12)
C17	0.0483 (16)	0.0284 (13)	0.0718 (19)	−0.0049 (12)	0.0051 (14)	0.0017 (12)
C18	0.0452 (16)	0.0559 (18)	0.080 (2)	0.0142 (14)	−0.0017 (15)	−0.0026 (16)
C19	0.054 (2)	0.059 (2)	0.141 (4)	−0.0228 (17)	0.008 (2)	0.011 (2)
C20	0.0579 (18)	0.083 (2)	0.0497 (16)	0.0058 (16)	0.0262 (14)	0.0143 (16)
B4	0.0317 (14)	0.0417 (16)	0.0417 (16)	0.0024 (12)	0.0037 (12)	0.0024 (13)
B5	0.0448 (17)	0.057 (2)	0.0498 (18)	0.0193 (15)	0.0090 (15)	0.0000 (15)
B6	0.0558 (19)	0.0550 (19)	0.0393 (16)	0.0162 (16)	0.0025 (14)	−0.0119 (15)
B7	0.0365 (15)	0.0342 (15)	0.0417 (16)	−0.0033 (12)	0.0061 (12)	0.0038 (12)
B8	0.0433 (16)	0.0327 (14)	0.0352 (15)	0.0028 (12)	0.0043 (12)	0.0044 (12)
B9	0.0482 (17)	0.0398 (16)	0.0471 (17)	0.0143 (14)	−0.0027 (14)	0.0021 (14)
B10	0.064 (2)	0.0395 (17)	0.057 (2)	0.0150 (16)	0.0012 (16)	−0.0051 (15)
B11	0.0533 (19)	0.0369 (16)	0.0525 (19)	0.0007 (14)	−0.0060 (15)	−0.0062 (14)
B12	0.0545 (19)	0.0316 (15)	0.0499 (18)	0.0005 (14)	0.0028 (15)	0.0051 (13)

Geometric parameters (Å, º)

Co3—C2	2.013 (2)	C19—H19B	0.9600
Co3—C15	2.037 (2)	C19—H19C	0.9600
Co3—C1	2.039 (2)	C20—H20A	0.9600
Co3—C16	2.042 (3)	C20—H20B	0.9600
Co3—C14	2.056 (2)	C20—H20C	0.9600
Co3—B7	2.064 (3)	B4—B9	1.775 (4)
Co3—C17	2.072 (2)	B4—B5	1.786 (4)
Co3—B8	2.072 (3)	B4—B8	1.809 (4)
Co3—B4	2.074 (3)	B4—H4	1.05 (2)
Co3—N13	2.079 (2)	B5—B6	1.749 (5)
N13—C17	1.374 (3)	B5—B9	1.769 (5)
N13—C14	1.377 (3)	B5—B10	1.773 (5)
C1—C20	1.518 (3)	B5—H5	1.07 (3)
C1—C2	1.649 (3)	B6—B11	1.754 (5)
C1—B5	1.714 (4)	B6—B10	1.758 (5)
C1—B4	1.715 (4)	B6—H6	1.04 (3)
C1—B6	1.742 (4)	B7—B12	1.769 (4)
C2—B11	1.706 (4)	B7—B11	1.783 (4)
C2—B7	1.709 (4)	B7—B8	1.812 (4)
C2—B6	1.717 (4)	B7—H7	1.11 (2)
C2—H2	0.96 (2)	B8—B9	1.785 (4)
C14—C15	1.418 (4)	B8—B12	1.787 (4)
C14—C18	1.485 (3)	B8—H8	1.11 (2)
C15—C16	1.401 (4)	B9—B10	1.774 (5)
C15—H15	0.9300	B9—B12	1.786 (5)
C16—C17	1.407 (4)	B9—H9	1.07 (3)
C16—H16	0.9300	B10—B11	1.764 (5)
C17—C19	1.499 (4)	B10—B12	1.775 (5)
C18—H18A	0.9600	B10—H10	1.12 (3)
C18—H18B	0.9600	B11—B12	1.771 (4)
C18—H18C	0.9600	B11—H11	1.10 (3)
C19—H19A	0.9600	B12—H12	1.09 (3)
C2—Co3—C15	130.16 (11)	B5—B4—Co3	116.67 (17)
C2—Co3—C1	48.03 (10)	B8—B4—Co3	64.08 (12)
C15—Co3—C1	173.73 (10)	C1—B4—H4	119.3 (13)
C2—Co3—C16	170.30 (11)	B9—B4—H4	122.8 (14)
C15—Co3—C16	40.19 (11)	B5—B4—H4	115.2 (14)
C1—Co3—C16	141.36 (11)	B8—B4—H4	129.0 (14)
C2—Co3—C14	104.93 (10)	Co3—B4—H4	114.9 (14)
C15—Co3—C14	40.54 (10)	C1—B5—B6	60.39 (17)
C1—Co3—C14	133.25 (10)	C1—B5—B9	105.2 (2)
C16—Co3—C14	66.82 (10)	B6—B5—B9	108.1 (2)
C2—Co3—B7	49.54 (10)	C1—B5—B10	106.4 (2)
C15—Co3—B7	96.10 (11)	B6—B5—B10	59.9 (2)
C1—Co3—B7	86.15 (11)	B9—B5—B10	60.12 (19)
C16—Co3—B7	125.55 (12)	C1—B5—B4	58.63 (15)
C14—Co3—B7	102.61 (11)	B6—B5—B4	109.0 (2)
C2—Co3—C17	142.49 (11)	B9—B5—B4	59.91 (17)
C15—Co3—C17	66.59 (11)	B10—B5—B4	108.5 (2)
C1—Co3—C17	111.07 (11)	C1—B5—H5	116.9 (14)
C16—Co3—C17	39.98 (11)	B6—B5—H5	119.7 (15)
C14—Co3—C17	64.72 (10)	B9—B5—H5	127.1 (15)
B7—Co3—C17	162.70 (11)	B10—B5—H5	128.0 (14)
C2—Co3—B8	85.75 (10)	B4—B5—H5	117.8 (15)
C15—Co3—B8	99.64 (11)	C2—B6—C1	56.94 (15)
C1—Co3—B8	86.36 (10)	C2—B6—B5	104.3 (2)
C16—Co3—B8	96.62 (11)	C1—B6—B5	58.83 (16)
C14—Co3—B8	134.95 (11)	C2—B6—B11	58.84 (16)
B7—Co3—B8	51.96 (11)	C1—B6—B11	105.6 (2)
C17—Co3—B8	128.07 (11)	B5—B6—B11	108.8 (2)
C2—Co3—B4	84.77 (11)	C2—B6—B10	104.8 (2)
C15—Co3—B4	136.40 (11)	C1—B6—B10	105.9 (2)
C1—Co3—B4	49.29 (10)	B5—B6—B10	60.74 (19)
C16—Co3—B4	104.10 (11)	B11—B6—B10	60.3 (2)
C14—Co3—B4	167.85 (11)	C2—B6—H6	117.1 (15)
B7—Co3—B4	89.22 (11)	C1—B6—H6	116.2 (15)
C17—Co3—B4	103.13 (11)	B5—B6—H6	124.2 (16)
B8—Co3—B4	51.75 (11)	B11—B6—H6	123.8 (16)
C2—Co3—N13	110.07 (9)	B10—B6—H6	131.8 (15)
C15—Co3—N13	67.48 (9)	C2—B7—B12	104.0 (2)
C1—Co3—N13	106.91 (9)	C2—B7—B11	58.44 (16)
C16—Co3—N13	67.14 (10)	B12—B7—B11	59.82 (17)
C14—Co3—N13	38.89 (9)	C2—B7—B8	104.25 (19)
B7—Co3—N13	136.36 (10)	B12—B7—B8	59.86 (16)
C17—Co3—N13	38.67 (9)	B11—B7—B8	107.8 (2)
B8—Co3—N13	163.72 (10)	C2—B7—Co3	63.67 (12)
B4—Co3—N13	131.12 (10)	B12—B7—Co3	116.74 (18)
C17—N13—C14	106.9 (2)	B11—B7—Co3	116.85 (18)
C17—N13—Co3	70.41 (13)	B8—B7—Co3	64.24 (12)
C14—N13—Co3	69.65 (12)	C2—B7—H7	119.2 (13)
C20—C1—C2	119.2 (2)	B12—B7—H7	123.6 (13)
C20—C1—B5	118.0 (2)	B11—B7—H7	114.3 (13)
C2—C1—B5	108.9 (2)	B8—B7—H7	130.5 (12)
C20—C1—B4	124.6 (2)	Co3—B7—H7	114.2 (13)
C2—C1—B4	109.96 (18)	B9—B8—B12	60.01 (17)
B5—C1—B4	62.78 (16)	B9—B8—B4	59.18 (16)
C20—C1—B6	112.6 (2)	B12—B8—B4	106.9 (2)
C2—C1—B6	60.77 (16)	B9—B8—B7	106.5 (2)
B5—C1—B6	60.78 (18)	B12—B8—B7	58.86 (16)
B4—C1—B6	112.7 (2)	B4—B8—B7	106.74 (19)
C20—C1—Co3	112.52 (18)	B9—B8—Co3	115.82 (18)
C2—C1—Co3	65.17 (11)	B12—B8—Co3	115.50 (17)
B5—C1—Co3	122.16 (17)	B4—B8—Co3	64.17 (12)
B4—C1—Co3	66.42 (12)	B7—B8—Co3	63.80 (12)
B6—C1—Co3	121.22 (17)	B9—B8—H8	118.7 (12)
C1—C2—B11	112.2 (2)	B12—B8—H8	118.7 (13)
C1—C2—B7	113.13 (18)	B4—B8—H8	123.8 (12)
B11—C2—B7	62.94 (17)	B7—B8—H8	124.0 (12)
C1—C2—B6	62.29 (16)	Co3—B8—H8	116.3 (12)
B11—C2—B6	61.67 (19)	B5—B9—B10	60.0 (2)
B7—C2—B6	114.4 (2)	B5—B9—B4	60.53 (17)
C1—C2—Co3	66.80 (12)	B10—B9—B4	109.0 (2)
B11—C2—Co3	123.62 (17)	B5—B9—B8	109.5 (2)
B7—C2—Co3	66.80 (12)	B10—B9—B8	109.0 (2)
B6—C2—Co3	124.05 (17)	B4—B9—B8	61.08 (16)
C1—C2—H2	118.5 (15)	B5—B9—B12	107.7 (2)
B11—C2—H2	116.1 (15)	B10—B9—B12	59.82 (19)
B7—C2—H2	121.5 (15)	B4—B9—B12	108.5 (2)
B6—C2—H2	112.7 (15)	B8—B9—B12	60.04 (17)
Co3—C2—H2	110.8 (14)	B5—B9—H9	121.5 (14)
N13—C14—C15	109.8 (2)	B10—B9—H9	119.9 (14)
N13—C14—C18	122.2 (2)	B4—B9—H9	122.4 (14)
C15—C14—C18	127.9 (2)	B8—B9—H9	121.5 (14)
N13—C14—Co3	71.46 (13)	B12—B9—H9	121.1 (14)
C15—C14—Co3	69.02 (14)	B6—B10—B11	59.76 (19)
C18—C14—Co3	127.74 (18)	B6—B10—B5	59.38 (19)
C16—C15—C14	106.3 (2)	B11—B10—B5	107.3 (2)
C16—C15—Co3	70.10 (15)	B6—B10—B9	107.4 (2)
C14—C15—Co3	70.44 (14)	B11—B10—B9	108.1 (2)
C16—C15—H15	126.8	B5—B10—B9	59.83 (19)
C14—C15—H15	126.8	B6—B10—B12	107.8 (2)
Co3—C15—H15	124.3	B11—B10—B12	60.05 (18)
C15—C16—C17	106.9 (2)	B5—B10—B12	108.0 (2)
C15—C16—Co3	69.71 (14)	B9—B10—B12	60.43 (18)
C17—C16—Co3	71.17 (15)	B6—B10—H10	120.0 (15)
C15—C16—H16	126.5	B11—B10—H10	120.5 (15)
C17—C16—H16	126.5	B5—B10—H10	122.1 (14)
Co3—C16—H16	124.2	B9—B10—H10	123.8 (14)
N13—C17—C16	110.0 (2)	B12—B10—H10	122.8 (15)
N13—C17—C19	121.8 (3)	C2—B11—B6	59.49 (17)
C16—C17—C19	128.0 (3)	C2—B11—B10	105.1 (2)
N13—C17—Co3	70.92 (13)	B6—B11—B10	59.95 (19)
C16—C17—Co3	68.85 (14)	C2—B11—B12	104.1 (2)
C19—C17—Co3	130.6 (2)	B6—B11—B12	108.2 (2)
C14—C18—H18A	109.5	B10—B11—B12	60.30 (18)
C14—C18—H18B	109.5	C2—B11—B7	58.62 (15)
H18A—C18—H18B	109.5	B6—B11—B7	109.0 (2)
C14—C18—H18C	109.5	B10—B11—B7	108.6 (2)
H18A—C18—H18C	109.5	B12—B11—B7	59.69 (16)
H18B—C18—H18C	109.5	C2—B11—H11	116.6 (14)
C17—C19—H19A	109.5	B6—B11—H11	117.7 (14)
C17—C19—H19B	109.5	B10—B11—H11	128.3 (14)
H19A—C19—H19B	109.5	B12—B11—H11	129.4 (14)
C17—C19—H19C	109.5	B7—B11—H11	118.5 (14)
H19A—C19—H19C	109.5	B7—B12—B11	60.48 (16)
H19B—C19—H19C	109.5	B7—B12—B10	108.7 (2)
C1—C20—H20A	109.5	B11—B12—B10	59.65 (19)
C1—C20—H20B	109.5	B7—B12—B9	108.4 (2)
H20A—C20—H20B	109.5	B11—B12—B9	107.2 (2)
C1—C20—H20C	109.5	B10—B12—B9	59.75 (18)
H20A—C20—H20C	109.5	B7—B12—B8	61.28 (16)
H20B—C20—H20C	109.5	B11—B12—B8	109.4 (2)
C1—B4—B9	104.9 (2)	B10—B12—B8	108.9 (2)
C1—B4—B5	58.59 (16)	B9—B12—B8	59.95 (17)
B9—B4—B5	59.56 (17)	B7—B12—H12	121.7 (14)
C1—B4—B8	105.89 (19)	B11—B12—H12	122.1 (14)
B9—B4—B8	59.74 (16)	B10—B12—H12	121.0 (14)
B5—B4—B8	107.6 (2)	B9—B12—H12	121.5 (14)
C1—B4—Co3	64.29 (12)	B8—B12—H12	120.7 (14)
B9—B4—Co3	116.22 (18)
C2—Co3—N13—C17	153.52 (16)	B9—B5—B6—C2	−61.9 (3)
C15—Co3—N13—C17	−80.20 (17)	B10—B5—B6—C2	−99.2 (2)
C1—Co3—N13—C17	102.80 (17)	B4—B5—B6—C2	1.7 (3)
C16—Co3—N13—C17	−36.47 (16)	B9—B5—B6—C1	−97.6 (2)
C14—Co3—N13—C17	−117.4 (2)	B10—B5—B6—C1	−134.9 (2)
B7—Co3—N13—C17	−154.66 (18)	B4—B5—B6—C1	−34.0 (2)
B8—Co3—N13—C17	−40.8 (4)	C1—B5—B6—B11	97.2 (2)
B4—Co3—N13—C17	52.6 (2)	B9—B5—B6—B11	−0.4 (3)
C2—Co3—N13—C14	−89.08 (15)	B10—B5—B6—B11	−37.7 (2)
C15—Co3—N13—C14	37.20 (15)	B4—B5—B6—B11	63.2 (3)
C1—Co3—N13—C14	−139.80 (15)	C1—B5—B6—B10	134.9 (2)
C16—Co3—N13—C14	80.93 (16)	B9—B5—B6—B10	37.3 (2)
B7—Co3—N13—C14	−37.3 (2)	B4—B5—B6—B10	100.9 (2)
C17—Co3—N13—C14	117.4 (2)	C1—C2—B7—B12	63.7 (2)
B8—Co3—N13—C14	76.6 (4)	B11—C2—B7—B12	−40.39 (19)
B4—Co3—N13—C14	169.96 (16)	B6—C2—B7—B12	−5.1 (3)
C2—Co3—C1—C20	−112.9 (2)	Co3—C2—B7—B12	113.18 (18)
C15—Co3—C1—C20	−37.1 (10)	C1—C2—B7—B11	104.0 (2)
C16—Co3—C1—C20	63.5 (3)	B6—C2—B7—B11	35.2 (2)
C14—Co3—C1—C20	−44.7 (2)	Co3—C2—B7—B11	153.57 (17)
B7—Co3—C1—C20	−148.4 (2)	C1—C2—B7—B8	1.7 (3)
C17—Co3—C1—C20	29.9 (2)	B11—C2—B7—B8	−102.3 (2)
B8—Co3—C1—C20	159.5 (2)	B6—C2—B7—B8	−67.1 (2)
B4—Co3—C1—C20	119.3 (2)	Co3—C2—B7—B8	51.25 (14)
N13—Co3—C1—C20	−10.9 (2)	C1—C2—B7—Co3	−49.52 (16)
C15—Co3—C1—C2	75.8 (10)	B11—C2—B7—Co3	−153.57 (17)
C16—Co3—C1—C2	176.40 (16)	B6—C2—B7—Co3	−118.3 (2)
C14—Co3—C1—C2	68.25 (17)	C15—Co3—B7—C2	−139.58 (13)
B7—Co3—C1—C2	−35.47 (13)	C1—Co3—B7—C2	34.55 (13)
C17—Co3—C1—C2	142.83 (14)	C16—Co3—B7—C2	−169.36 (13)
B8—Co3—C1—C2	−87.55 (14)	C14—Co3—B7—C2	−98.98 (13)
B4—Co3—C1—C2	−127.76 (18)	C17—Co3—B7—C2	−140.1 (3)
N13—Co3—C1—C2	102.06 (13)	B8—Co3—B7—C2	122.94 (18)
C2—Co3—C1—B5	97.5 (2)	B4—Co3—B7—C2	83.79 (14)
C15—Co3—C1—B5	173.4 (9)	N13—Co3—B7—C2	−76.06 (17)
C16—Co3—C1—B5	−86.1 (3)	C2—Co3—B7—B12	−93.1 (2)
C14—Co3—C1—B5	165.78 (19)	C15—Co3—B7—B12	127.34 (19)
B7—Co3—C1—B5	62.1 (2)	C1—Co3—B7—B12	−58.54 (19)
C17—Co3—C1—B5	−119.6 (2)	C16—Co3—B7—B12	97.6 (2)
B8—Co3—C1—B5	10.0 (2)	C14—Co3—B7—B12	167.93 (18)
B4—Co3—C1—B5	−30.2 (2)	C17—Co3—B7—B12	126.8 (4)
N13—Co3—C1—B5	−160.4 (2)	B8—Co3—B7—B12	29.85 (18)
C2—Co3—C1—B4	127.76 (18)	B4—Co3—B7—B12	−9.3 (2)
C15—Co3—C1—B4	−156.4 (9)	N13—Co3—B7—B12	−169.14 (16)
C16—Co3—C1—B4	−55.8 (2)	C2—Co3—B7—B11	−25.16 (17)
C14—Co3—C1—B4	−163.99 (15)	C15—Co3—B7—B11	−164.74 (19)
B7—Co3—C1—B4	92.29 (14)	C1—Co3—B7—B11	9.39 (18)
C17—Co3—C1—B4	−89.41 (15)	C16—Co3—B7—B11	165.48 (17)
B8—Co3—C1—B4	40.21 (14)	C14—Co3—B7—B11	−124.14 (19)
N13—Co3—C1—B4	−130.18 (14)	C17—Co3—B7—B11	−165.3 (3)
C2—Co3—C1—B6	24.57 (17)	B8—Co3—B7—B11	97.8 (2)
C15—Co3—C1—B6	100.4 (10)	B4—Co3—B7—B11	58.6 (2)
C16—Co3—C1—B6	−159.03 (18)	N13—Co3—B7—B11	−101.2 (2)
C14—Co3—C1—B6	92.8 (2)	C2—Co3—B7—B8	−122.94 (18)
B7—Co3—C1—B6	−10.90 (19)	C15—Co3—B7—B8	97.48 (14)
C17—Co3—C1—B6	167.40 (18)	C1—Co3—B7—B8	−88.39 (14)
B8—Co3—C1—B6	−62.98 (19)	C16—Co3—B7—B8	67.70 (17)
B4—Co3—C1—B6	−103.2 (2)	C14—Co3—B7—B8	138.08 (13)
N13—Co3—C1—B6	126.63 (18)	C17—Co3—B7—B8	96.9 (4)
C20—C1—C2—B11	−138.6 (2)	B4—Co3—B7—B8	−39.15 (14)
B5—C1—C2—B11	0.9 (3)	N13—Co3—B7—B8	161.00 (14)
B4—C1—C2—B11	68.0 (2)	C1—B4—B8—B9	−98.2 (2)
B6—C1—C2—B11	−37.5 (2)	B5—B4—B8—B9	−36.79 (19)
Co3—C1—C2—B11	118.42 (19)	Co3—B4—B8—B9	−148.45 (18)
C20—C1—C2—B7	152.5 (2)	C1—B4—B8—B12	−60.4 (2)
B5—C1—C2—B7	−68.0 (2)	B9—B4—B8—B12	37.81 (19)
B4—C1—C2—B7	−0.9 (3)	B5—B4—B8—B12	1.0 (2)
B6—C1—C2—B7	−106.4 (2)	Co3—B4—B8—B12	−110.64 (18)
Co3—C1—C2—B7	49.52 (16)	C1—B4—B8—B7	1.4 (2)
C20—C1—C2—B6	−101.0 (3)	B9—B4—B8—B7	99.6 (2)
B5—C1—C2—B6	38.5 (2)	B5—B4—B8—B7	62.8 (2)
B4—C1—C2—B6	105.5 (2)	Co3—B4—B8—B7	−48.86 (15)
Co3—C1—C2—B6	155.95 (17)	C1—B4—B8—Co3	50.23 (15)
C20—C1—C2—Co3	103.0 (2)	B9—B4—B8—Co3	148.45 (18)
B5—C1—C2—Co3	−117.48 (18)	B5—B4—B8—Co3	111.67 (18)
B4—C1—C2—Co3	−50.43 (16)	C2—B7—B8—B9	60.2 (2)
B6—C1—C2—Co3	−155.95 (17)	B12—B7—B8—B9	−37.9 (2)
C15—Co3—C2—C1	−172.03 (13)	B11—B7—B8—B9	−0.7 (3)
C16—Co3—C2—C1	−166.6 (6)	Co3—B7—B8—B9	111.12 (19)
C14—Co3—C2—C1	−135.56 (13)	C2—B7—B8—B12	98.2 (2)
B7—Co3—C2—C1	130.44 (18)	B11—B7—B8—B12	37.2 (2)
C17—Co3—C2—C1	−67.8 (2)	Co3—B7—B8—B12	149.07 (18)
B8—Co3—C2—C1	88.93 (14)	C2—B7—B8—B4	−1.8 (2)
B4—Co3—C2—C1	37.00 (13)	B12—B7—B8—B4	−100.0 (2)
N13—Co3—C2—C1	−95.04 (13)	B11—B7—B8—B4	−62.8 (2)
C15—Co3—C2—B11	86.0 (2)	Co3—B7—B8—B4	49.07 (15)
C1—Co3—C2—B11	−102.0 (2)	C2—B7—B8—Co3	−50.90 (14)
C16—Co3—C2—B11	91.4 (7)	B12—B7—B8—Co3	−149.07 (18)
C14—Co3—C2—B11	122.4 (2)	B11—B7—B8—Co3	−111.84 (19)
B7—Co3—C2—B11	28.4 (2)	C2—Co3—B8—B9	−56.75 (19)
C17—Co3—C2—B11	−169.8 (2)	C15—Co3—B8—B9	173.21 (19)
B8—Co3—C2—B11	−13.1 (2)	C1—Co3—B8—B9	−8.60 (19)
B4—Co3—C2—B11	−65.0 (2)	C16—Co3—B8—B9	132.7 (2)
N13—Co3—C2—B11	162.94 (19)	C14—Co3—B8—B9	−163.65 (17)
C15—Co3—C2—B7	57.53 (17)	B7—Co3—B8—B9	−96.6 (2)
C1—Co3—C2—B7	−130.44 (18)	C17—Co3—B8—B9	105.5 (2)
C16—Co3—C2—B7	63.0 (7)	B4—Co3—B8—B9	29.94 (18)
C14—Co3—C2—B7	93.99 (14)	N13—Co3—B8—B9	136.7 (3)
C17—Co3—C2—B7	161.75 (17)	C2—Co3—B8—B12	10.64 (19)
B8—Co3—C2—B7	−41.51 (14)	C15—Co3—B8—B12	−119.4 (2)
B4—Co3—C2—B7	−93.44 (14)	C1—Co3—B8—B12	58.8 (2)
N13—Co3—C2—B7	134.51 (13)	C16—Co3—B8—B12	−159.9 (2)
C15—Co3—C2—B6	162.2 (2)	C14—Co3—B8—B12	−96.3 (2)
C1—Co3—C2—B6	−25.81 (19)	B7—Co3—B8—B12	−29.18 (18)
C16—Co3—C2—B6	167.6 (6)	C17—Co3—B8—B12	172.85 (17)
C14—Co3—C2—B6	−161.4 (2)	B4—Co3—B8—B12	97.3 (2)
B7—Co3—C2—B6	104.6 (2)	N13—Co3—B8—B12	−155.9 (3)
C17—Co3—C2—B6	−93.6 (3)	C2—Co3—B8—B4	−86.69 (14)
B8—Co3—C2—B6	63.1 (2)	C15—Co3—B8—B4	143.27 (14)
B4—Co3—C2—B6	11.2 (2)	C1—Co3—B8—B4	−38.55 (14)
N13—Co3—C2—B6	−120.9 (2)	C16—Co3—B8—B4	102.76 (15)
C17—N13—C14—C15	2.4 (3)	C14—Co3—B8—B4	166.40 (15)
Co3—N13—C14—C15	−58.53 (16)	B7—Co3—B8—B4	−126.50 (18)
C17—N13—C14—C18	−175.6 (2)	C17—Co3—B8—B4	75.52 (17)
Co3—N13—C14—C18	123.5 (2)	N13—Co3—B8—B4	106.7 (4)
C17—N13—C14—Co3	60.92 (16)	C2—Co3—B8—B7	39.81 (13)
C2—Co3—C14—N13	103.60 (15)	C15—Co3—B8—B7	−90.23 (14)
C15—Co3—C14—N13	−120.7 (2)	C1—Co3—B8—B7	87.96 (14)
C1—Co3—C14—N13	57.98 (19)	C16—Co3—B8—B7	−130.73 (14)
C16—Co3—C14—N13	−81.82 (16)	C14—Co3—B8—B7	−67.09 (18)
B7—Co3—C14—N13	154.65 (14)	C17—Co3—B8—B7	−157.97 (15)
C17—Co3—C14—N13	−37.85 (14)	B4—Co3—B8—B7	126.50 (18)
B8—Co3—C14—N13	−157.33 (15)	N13—Co3—B8—B7	−126.8 (3)
B4—Co3—C14—N13	−38.6 (6)	C1—B5—B9—B10	−100.5 (2)
C2—Co3—C14—C15	−135.66 (16)	B6—B5—B9—B10	−37.2 (2)
C1—Co3—C14—C15	178.73 (15)	B4—B5—B9—B10	−139.2 (2)
C16—Co3—C14—C15	38.92 (16)	C1—B5—B9—B4	38.7 (2)
B7—Co3—C14—C15	−84.60 (16)	B6—B5—B9—B4	101.9 (2)
C17—Co3—C14—C15	82.90 (17)	B10—B5—B9—B4	139.2 (2)
B8—Co3—C14—C15	−36.6 (2)	C1—B5—B9—B8	0.8 (3)
B4—Co3—C14—C15	82.1 (5)	B6—B5—B9—B8	64.0 (3)
N13—Co3—C14—C15	120.7 (2)	B10—B5—B9—B8	101.2 (2)
C2—Co3—C14—C18	−13.3 (3)	B4—B5—B9—B8	−37.9 (2)
C15—Co3—C14—C18	122.4 (3)	C1—B5—B9—B12	−62.9 (3)
C1—Co3—C14—C18	−58.9 (3)	B6—B5—B9—B12	0.3 (3)
C16—Co3—C14—C18	161.3 (3)	B10—B5—B9—B12	37.5 (2)
B7—Co3—C14—C18	37.8 (3)	B4—B5—B9—B12	−101.6 (2)
C17—Co3—C14—C18	−154.7 (3)	C1—B4—B9—B5	−38.59 (19)
B8—Co3—C14—C18	85.8 (3)	B8—B4—B9—B5	−138.5 (2)
B4—Co3—C14—C18	−155.5 (4)	Co3—B4—B9—B5	−106.9 (2)
N13—Co3—C14—C18	−116.9 (3)	C1—B4—B9—B10	−1.8 (3)
N13—C14—C15—C16	−1.3 (3)	B5—B4—B9—B10	36.8 (2)
C18—C14—C15—C16	176.6 (2)	B8—B4—B9—B10	−101.7 (2)
Co3—C14—C15—C16	−61.28 (17)	Co3—B4—B9—B10	−70.1 (3)
N13—C14—C15—Co3	60.00 (16)	C1—B4—B9—B8	99.96 (19)
C18—C14—C15—Co3	−122.2 (3)	B5—B4—B9—B8	138.5 (2)
C2—Co3—C15—C16	178.57 (16)	Co3—B4—B9—B8	31.64 (18)
C1—Co3—C15—C16	108.0 (10)	C1—B4—B9—B12	61.8 (2)
C14—Co3—C15—C16	116.5 (2)	B5—B4—B9—B12	100.3 (2)
B7—Co3—C15—C16	−141.23 (17)	B8—B4—B9—B12	−38.2 (2)
C17—Co3—C15—C16	38.60 (16)	Co3—B4—B9—B12	−6.6 (3)
B8—Co3—C15—C16	−88.85 (17)	B12—B8—B9—B5	−99.7 (2)
B4—Co3—C15—C16	−45.9 (2)	B4—B8—B9—B5	37.7 (2)
N13—Co3—C15—C16	80.74 (16)	B7—B8—B9—B5	−62.3 (3)
C2—Co3—C15—C14	62.09 (19)	Co3—B8—B9—B5	6.1 (3)
C1—Co3—C15—C14	−8.5 (10)	B12—B8—B9—B10	−35.7 (2)
C16—Co3—C15—C14	−116.5 (2)	B4—B8—B9—B10	101.7 (2)
B7—Co3—C15—C14	102.29 (16)	B7—B8—B9—B10	1.7 (3)
C17—Co3—C15—C14	−77.89 (16)	Co3—B8—B9—B10	70.1 (3)
B8—Co3—C15—C14	154.67 (16)	B12—B8—B9—B4	−137.4 (2)
B4—Co3—C15—C14	−162.40 (16)	B7—B8—B9—B4	−99.9 (2)
N13—Co3—C15—C14	−35.74 (14)	Co3—B8—B9—B4	−31.54 (18)
C14—C15—C16—C17	−0.3 (3)	B4—B8—B9—B12	137.4 (2)
Co3—C15—C16—C17	−61.83 (18)	B7—B8—B9—B12	37.43 (19)
C14—C15—C16—Co3	61.51 (16)	Co3—B8—B9—B12	105.8 (2)
C2—Co3—C16—C15	−6.5 (7)	C2—B6—B10—B11	−39.9 (2)
C1—Co3—C16—C15	−170.42 (16)	C1—B6—B10—B11	−99.1 (2)
C14—Co3—C16—C15	−39.26 (15)	B5—B6—B10—B11	−138.2 (2)
B7—Co3—C16—C15	49.9 (2)	C2—B6—B10—B5	98.3 (2)
C17—Co3—C16—C15	−117.0 (2)	C1—B6—B10—B5	39.1 (2)
B8—Co3—C16—C15	97.13 (17)	B11—B6—B10—B5	138.2 (2)
B4—Co3—C16—C15	149.29 (16)	C2—B6—B10—B9	61.3 (3)
N13—Co3—C16—C15	−81.67 (16)	C1—B6—B10—B9	2.0 (3)
C2—Co3—C16—C17	110.5 (6)	B5—B6—B10—B9	−37.1 (2)
C15—Co3—C16—C17	117.0 (2)	B11—B6—B10—B9	101.2 (2)
C1—Co3—C16—C17	−53.4 (2)	C2—B6—B10—B12	−2.5 (3)
C14—Co3—C16—C17	77.73 (17)	C1—B6—B10—B12	−61.7 (3)
B7—Co3—C16—C17	166.93 (16)	B5—B6—B10—B12	−100.8 (2)
B8—Co3—C16—C17	−145.88 (17)	B11—B6—B10—B12	37.4 (2)
B4—Co3—C16—C17	−93.72 (17)	C1—B5—B10—B6	−40.0 (2)
N13—Co3—C16—C17	35.32 (15)	B9—B5—B10—B6	−138.3 (2)
C14—N13—C17—C16	−2.6 (3)	B4—B5—B10—B6	−101.7 (2)
Co3—N13—C17—C16	57.82 (18)	C1—B5—B10—B11	−2.9 (3)
C14—N13—C17—C19	173.0 (3)	B6—B5—B10—B11	37.1 (2)
Co3—N13—C17—C19	−126.6 (3)	B9—B5—B10—B11	−101.2 (2)
C14—N13—C17—Co3	−60.43 (15)	B4—B5—B10—B11	−64.6 (3)
C15—C16—C17—N13	1.8 (3)	C1—B5—B10—B9	98.4 (2)
Co3—C16—C17—N13	−59.05 (18)	B6—B5—B10—B9	138.3 (2)
C15—C16—C17—C19	−173.4 (3)	B4—B5—B10—B9	36.6 (2)
Co3—C16—C17—C19	125.7 (3)	C1—B5—B10—B12	60.5 (3)
C15—C16—C17—Co3	60.88 (17)	B6—B5—B10—B12	100.4 (2)
C2—Co3—C17—N13	−43.5 (2)	B9—B5—B10—B12	−37.9 (2)
C15—Co3—C17—N13	82.71 (16)	B4—B5—B10—B12	−1.2 (3)
C1—Co3—C17—N13	−91.00 (16)	B5—B9—B10—B6	36.9 (2)
C16—Co3—C17—N13	121.5 (2)	B4—B9—B10—B6	−0.2 (3)
C14—Co3—C17—N13	38.06 (14)	B8—B9—B10—B6	−65.2 (3)
B7—Co3—C17—N13	83.3 (4)	B12—B9—B10—B6	−101.0 (2)
B8—Co3—C17—N13	166.55 (15)	B5—B9—B10—B11	99.9 (2)
B4—Co3—C17—N13	−142.11 (15)	B4—B9—B10—B11	62.9 (3)
C2—Co3—C17—C16	−164.97 (17)	B8—B9—B10—B11	−2.1 (3)
C15—Co3—C17—C16	−38.80 (16)	B12—B9—B10—B11	−37.9 (2)
C1—Co3—C17—C16	147.49 (16)	B4—B9—B10—B5	−37.0 (2)
C14—Co3—C17—C16	−83.45 (17)	B8—B9—B10—B5	−102.0 (2)
B7—Co3—C17—C16	−38.2 (4)	B12—B9—B10—B5	−137.8 (2)
B8—Co3—C17—C16	45.0 (2)	B5—B9—B10—B12	137.8 (2)
B4—Co3—C17—C16	96.38 (18)	B4—B9—B10—B12	100.8 (2)
N13—Co3—C17—C16	−121.5 (2)	B8—B9—B10—B12	35.8 (2)
C2—Co3—C17—C19	72.5 (4)	C1—C2—B11—B6	37.79 (19)
C15—Co3—C17—C19	−161.3 (3)	B7—C2—B11—B6	143.3 (2)
C1—Co3—C17—C19	25.0 (3)	Co3—C2—B11—B6	113.9 (2)
C16—Co3—C17—C19	−122.5 (4)	C1—C2—B11—B10	−2.7 (3)
C14—Co3—C17—C19	154.0 (3)	B7—C2—B11—B10	102.8 (2)
B7—Co3—C17—C19	−160.7 (3)	B6—C2—B11—B10	−40.5 (2)
B8—Co3—C17—C19	−77.5 (3)	Co3—C2—B11—B10	73.4 (3)
B4—Co3—C17—C19	−26.1 (3)	C1—C2—B11—B12	−65.2 (3)
N13—Co3—C17—C19	116.0 (4)	B7—C2—B11—B12	40.3 (2)
C20—C1—B4—B9	145.8 (2)	B6—C2—B11—B12	−103.0 (2)
C2—C1—B4—B9	−62.5 (2)	Co3—C2—B11—B12	10.9 (3)
B5—C1—B4—B9	39.1 (2)	C1—C2—B11—B7	−105.6 (2)
B6—C1—B4—B9	3.2 (3)	B6—C2—B11—B7	−143.3 (2)
Co3—C1—B4—B9	−112.30 (18)	Co3—C2—B11—B7	−29.43 (19)
C20—C1—B4—B5	106.7 (3)	C1—B6—B11—C2	−33.89 (18)
C2—C1—B4—B5	−101.6 (2)	B5—B6—B11—C2	−95.7 (2)
B6—C1—B4—B5	−35.9 (2)	B10—B6—B11—C2	−133.6 (2)
Co3—C1—B4—B5	−151.35 (19)	C2—B6—B11—B10	133.6 (2)
C20—C1—B4—B8	−152.0 (2)	C1—B6—B11—B10	99.7 (2)
C2—C1—B4—B8	−0.3 (3)	B5—B6—B11—B10	37.9 (2)
B5—C1—B4—B8	101.2 (2)	C2—B6—B11—B12	96.0 (2)
B6—C1—B4—B8	65.4 (2)	C1—B6—B11—B12	62.1 (2)
Co3—C1—B4—B8	−50.11 (15)	B5—B6—B11—B12	0.3 (3)
C20—C1—B4—Co3	−101.9 (2)	B10—B6—B11—B12	−37.6 (2)
C2—C1—B4—Co3	49.76 (15)	C2—B6—B11—B7	32.62 (19)
B5—C1—B4—Co3	151.35 (18)	C1—B6—B11—B7	−1.3 (3)
B6—C1—B4—Co3	115.49 (19)	B5—B6—B11—B7	−63.1 (3)
C2—Co3—B4—C1	−36.17 (14)	B10—B6—B11—B7	−101.0 (2)
C15—Co3—B4—C1	176.36 (14)	B6—B10—B11—C2	40.3 (2)
C16—Co3—B4—C1	147.81 (14)	B5—B10—B11—C2	3.3 (3)
C14—Co3—B4—C1	107.4 (5)	B9—B10—B11—C2	−59.8 (3)
B7—Co3—B4—C1	−85.59 (14)	B12—B10—B11—C2	−97.8 (2)
C17—Co3—B4—C1	106.64 (15)	B5—B10—B11—B6	−36.9 (2)
B8—Co3—B4—C1	−124.87 (18)	B9—B10—B11—B6	−100.1 (3)
N13—Co3—B4—C1	76.01 (17)	B12—B10—B11—B6	−138.1 (2)
C2—Co3—B4—B9	58.5 (2)	B6—B10—B11—B12	138.1 (2)
C15—Co3—B4—B9	−89.0 (2)	B5—B10—B11—B12	101.2 (2)
C1—Co3—B4—B9	94.6 (2)	B9—B10—B11—B12	38.1 (2)
C16—Co3—B4—B9	−117.6 (2)	B6—B10—B11—B7	101.7 (2)
C14—Co3—B4—B9	−158.0 (4)	B5—B10—B11—B7	64.8 (3)
B7—Co3—B4—B9	9.0 (2)	B9—B10—B11—B7	1.6 (3)
C17—Co3—B4—B9	−158.74 (19)	B12—B10—B11—B7	−36.4 (2)
B8—Co3—B4—B9	−30.25 (18)	B12—B7—B11—C2	133.4 (2)
N13—Co3—B4—B9	170.64 (16)	B8—B7—B11—C2	96.1 (2)
C2—Co3—B4—B5	−8.9 (2)	Co3—B7—B11—C2	26.56 (17)
C15—Co3—B4—B5	−156.39 (18)	C2—B7—B11—B6	−32.96 (19)
C1—Co3—B4—B5	27.25 (18)	B12—B7—B11—B6	100.4 (2)
C16—Co3—B4—B5	175.06 (19)	B8—B7—B11—B6	63.2 (3)
C14—Co3—B4—B5	134.6 (5)	Co3—B7—B11—B6	−6.4 (3)
B7—Co3—B4—B5	−58.3 (2)	C2—B7—B11—B10	−96.7 (2)
C17—Co3—B4—B5	133.9 (2)	B12—B7—B11—B10	36.7 (2)
B8—Co3—B4—B5	−97.6 (2)	B8—B7—B11—B10	−0.5 (3)
N13—Co3—B4—B5	103.3 (2)	Co3—B7—B11—B10	−70.1 (3)
C2—Co3—B4—B8	88.70 (14)	C2—B7—B11—B12	−133.4 (2)
C15—Co3—B4—B8	−58.8 (2)	B8—B7—B11—B12	−37.2 (2)
C1—Co3—B4—B8	124.87 (18)	Co3—B7—B11—B12	−106.8 (2)
C16—Co3—B4—B8	−87.32 (15)	C2—B7—B12—B11	39.69 (19)
C14—Co3—B4—B8	−127.8 (5)	B8—B7—B12—B11	138.2 (2)
B7—Co3—B4—B8	39.28 (14)	Co3—B7—B12—B11	107.0 (2)
C17—Co3—B4—B8	−128.49 (14)	C2—B7—B12—B10	3.2 (3)
N13—Co3—B4—B8	−159.12 (13)	B11—B7—B12—B10	−36.4 (2)
C20—C1—B5—B6	101.6 (3)	B8—B7—B12—B10	101.8 (2)
C2—C1—B5—B6	−38.5 (2)	Co3—B7—B12—B10	70.5 (2)
B4—C1—B5—B6	−141.7 (2)	C2—B7—B12—B9	−60.1 (2)
Co3—C1—B5—B6	−110.5 (2)	B11—B7—B12—B9	−99.8 (2)
C20—C1—B5—B9	−156.0 (2)	B8—B7—B12—B9	38.39 (19)
C2—C1—B5—B9	64.0 (3)	Co3—B7—B12—B9	7.2 (3)
B4—C1—B5—B9	−39.3 (2)	C2—B7—B12—B8	−98.5 (2)
B6—C1—B5—B9	102.4 (3)	B11—B7—B12—B8	−138.2 (2)
Co3—C1—B5—B9	−8.0 (3)	Co3—B7—B12—B8	−31.23 (18)
C20—C1—B5—B10	141.3 (2)	C2—B11—B12—B7	−39.79 (19)
C2—C1—B5—B10	1.3 (3)	B6—B11—B12—B7	−101.8 (2)
B4—C1—B5—B10	−102.0 (2)	B10—B11—B12—B7	−139.3 (2)
B6—C1—B5—B10	39.7 (2)	C2—B11—B12—B10	99.5 (2)
Co3—C1—B5—B10	−70.8 (3)	B6—B11—B12—B10	37.5 (2)
C20—C1—B5—B4	−116.7 (3)	B7—B11—B12—B10	139.3 (2)
C2—C1—B5—B4	103.3 (2)	C2—B11—B12—B9	62.0 (3)
B6—C1—B5—B4	141.7 (2)	B6—B11—B12—B9	−0.1 (3)
Co3—C1—B5—B4	31.3 (2)	B10—B11—B12—B9	−37.5 (2)
B9—B4—B5—C1	−135.1 (2)	B7—B11—B12—B9	101.8 (2)
B8—B4—B5—C1	−98.2 (2)	C2—B11—B12—B8	−1.5 (3)
Co3—B4—B5—C1	−28.91 (18)	B6—B11—B12—B8	−63.6 (3)
C1—B4—B5—B6	34.7 (2)	B10—B11—B12—B8	−101.0 (2)
B9—B4—B5—B6	−100.4 (3)	B7—B11—B12—B8	38.3 (2)
B8—B4—B5—B6	−63.5 (3)	B6—B10—B12—B7	−0.5 (3)
Co3—B4—B5—B6	5.8 (3)	B11—B10—B12—B7	36.8 (2)
C1—B4—B5—B9	135.1 (2)	B5—B10—B12—B7	−63.2 (3)
B8—B4—B5—B9	36.87 (19)	B9—B10—B12—B7	−100.9 (2)
Co3—B4—B5—B9	106.2 (2)	B6—B10—B12—B11	−37.3 (2)
C1—B4—B5—B10	98.3 (2)	B5—B10—B12—B11	−100.0 (2)
B9—B4—B5—B10	−36.7 (2)	B9—B10—B12—B11	−137.7 (2)
B8—B4—B5—B10	0.1 (3)	B6—B10—B12—B9	100.4 (3)
Co3—B4—B5—B10	69.4 (2)	B11—B10—B12—B9	137.7 (2)
B11—C2—B6—C1	140.1 (2)	B5—B10—B12—B9	37.6 (2)
B7—C2—B6—C1	104.4 (2)	B6—B10—B12—B8	64.6 (3)
Co3—C2—B6—C1	26.88 (19)	B11—B10—B12—B8	101.9 (2)
C1—C2—B6—B5	−36.5 (2)	B5—B10—B12—B8	1.9 (3)
B11—C2—B6—B5	103.6 (2)	B9—B10—B12—B8	−35.7 (2)
B7—C2—B6—B5	67.9 (3)	B5—B9—B12—B7	63.7 (3)
Co3—C2—B6—B5	−9.7 (3)	B10—B9—B12—B7	101.4 (2)
C1—C2—B6—B11	−140.1 (2)	B4—B9—B12—B7	−0.3 (3)
B7—C2—B6—B11	−35.7 (2)	B8—B9—B12—B7	−38.98 (19)
Co3—C2—B6—B11	−113.3 (2)	B5—B9—B12—B11	−0.1 (3)
C1—C2—B6—B10	−99.5 (2)	B10—B9—B12—B11	37.5 (2)
B11—C2—B6—B10	40.6 (2)	B4—B9—B12—B11	−64.2 (3)
B7—C2—B6—B10	4.9 (3)	B8—B9—B12—B11	−102.8 (2)
Co3—C2—B6—B10	−72.6 (3)	B5—B9—B12—B10	−37.6 (2)
C20—C1—B6—C2	111.9 (2)	B4—B9—B12—B10	−101.7 (2)
B5—C1—B6—C2	−137.6 (2)	B8—B9—B12—B10	−140.3 (2)
B4—C1—B6—C2	−100.9 (2)	B5—B9—B12—B8	102.7 (2)
Co3—C1—B6—C2	−25.63 (17)	B10—B9—B12—B8	140.3 (2)
C20—C1—B6—B5	−110.5 (2)	B4—B9—B12—B8	38.67 (19)
C2—C1—B6—B5	137.6 (2)	B9—B8—B12—B7	137.1 (2)
B4—C1—B6—B5	36.7 (2)	B4—B8—B12—B7	99.7 (2)
Co3—C1—B6—B5	112.0 (2)	Co3—B8—B12—B7	30.73 (18)
C20—C1—B6—B11	146.6 (2)	B9—B8—B12—B11	99.2 (2)
C2—C1—B6—B11	34.71 (18)	B4—B8—B12—B11	61.7 (3)
B5—C1—B6—B11	−102.9 (2)	B7—B8—B12—B11	−37.9 (2)
B4—C1—B6—B11	−66.2 (2)	Co3—B8—B12—B11	−7.2 (3)
Co3—C1—B6—B11	9.1 (3)	B9—B8—B12—B10	35.6 (2)
C20—C1—B6—B10	−150.5 (2)	B4—B8—B12—B10	−1.8 (3)
C2—C1—B6—B10	97.6 (2)	B7—B8—B12—B10	−101.5 (2)
B5—C1—B6—B10	−40.0 (2)	Co3—B8—B12—B10	−70.7 (2)
B4—C1—B6—B10	−3.3 (3)	B4—B8—B12—B9	−37.44 (19)
Co3—C1—B6—B10	72.0 (2)	B7—B8—B12—B9	−137.1 (2)
C1—B5—B6—C2	35.68 (19)	Co3—B8—B12—B9	−106.4 (2)