Tris(phenanthroline-κN,N')cobalt(II) tetra-fluoridoborate acetonitrile solvate.

In the crystal structure of the title compound, [Co(C(12)H(8)N(2))(3)](BF(4))(2)·CH(3)CN, the mol-ecular packing involves dimers of distorted octahedrally coordinated cations which are held together by one π-π [centroid-centroid = 3.542 (4) Å] and two C-H⋯π inter-actions [2.573 (4) Å] resulting in a P4AE (Parallel Fourfold Aryl Embrace) motif. The anions are found in aryl boxes formed from the phenanthroline ligands.

Related literature

For other [Co(phen)3]2+ complexes, see: Boys et al. (1984 ▶); Geraghty et al. (1999 ▶); Russell et al. (2001 ▶); Tershansy et al. (2005 ▶).

Experimental

Crystal data

[Co(C12H8N2)3](BF4)2·C2H3N

M = 814.22

Monoclinic,

a = 18.0443 (2) Å

b = 9.36230 (10) Å

c = 22.0702 (2) Å

β = 107.3610 (10)°

V = 3558.60 (6) Å3

Z = 4

Mo Kα radiation

μ = 0.56 mm−1

T = 150 (2) K

0.32 × 0.28 × 0.12 mm

Data collection

Bruker SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 1997 ▶) T min = 0.840, T max = 0.935

56541 measured reflections

6276 independent reflections

5268 reflections with I > 2σ(I)

R int = 0.046

Refinement

R[F 2 > 2σ(F 2)] = 0.072

wR(F 2) = 0.213

S = 1.03

6276 reflections

501 parameters

H-atom parameters constrained

Δρmax = 2.96 e Å−3

Δρmin = −0.94 e Å−3

Data collection: SMART (Bruker, 1997 ▶); cell refinement: SAINT (Bruker, 1997 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808036611/at2665sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808036611/at2665Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Co(C12H8N2)3](BF4)2·C2H3N	F000 = 1652
Mr = 814.22	Dx = 1.520 Mg m−3
Monoclinic, P21/n	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 9965 reflections
a = 18.0443 (2) Å	θ = 2.4–24.8º
b = 9.36230 (10) Å	µ = 0.57 mm−1
c = 22.0702 (2) Å	T = 150 (2) K
β = 107.3610 (10)º	Plate, yellow
V = 3558.60 (6) Å3	0.32 × 0.28 × 0.12 mm
Z = 4

Bruker SMART CCD area-detector diffractometer	6276 independent reflections
Radiation source: fine-focus sealed tube	5268 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.046
Detector resolution: 100 pixels mm-1	θmax = 25.0º
T = 150(2) K	θmin = 1.3º
φ and ω scans	h = −21→21
Absorption correction: multi-scan(SADABS; Bruker, 1997)	k = −11→11
Tmin = 0.840, Tmax = 0.935	l = −26→26
56541 measured reflections

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.072	H-atom parameters constrained
wR(F2) = 0.213	w = 1/[σ2(Fo2) + (0.1194P)2 + 14.1582P] where P = (Fo2 + 2Fc2)/3
S = 1.03	(Δ/σ)max < 0.001
6276 reflections	Δρmax = 2.96 e Å−3
501 parameters	Δρmin = −0.94 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

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 takeninto account individually in the estimation of e.s.d.'s in distances, anglesand torsion angles; correlations between e.s.d.'s in cell parameters are onlyused 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 andgoodness of fit S are based on F2, conventional R-factors R are basedon F, with F set to zero for negative F2. The threshold expression ofF2 > σ(F2) is used only for calculating R-factors(gt) etc. and isnot relevant to the choice of reflections for refinement. R-factors basedon F2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

	x	y	z	Uiso*/Ueq
Co1	0.22845 (3)	0.04969 (6)	0.47231 (3)	0.0198 (2)
N1	0.1221 (2)	−0.0494 (4)	0.47236 (17)	0.0223 (8)
N2	0.1549 (2)	0.1052 (4)	0.38050 (17)	0.0233 (8)
N3	0.2689 (2)	−0.1362 (4)	0.43523 (17)	0.0235 (8)
N4	0.3331 (2)	0.1259 (4)	0.45860 (17)	0.0232 (8)
N5	0.2832 (2)	0.0047 (4)	0.57022 (17)	0.0235 (8)
N6	0.20568 (19)	0.2398 (4)	0.51664 (17)	0.0216 (8)
C1	0.1066 (3)	−0.1261 (5)	0.5179 (2)	0.0252 (9)
H1	0.1448	−0.1343	0.5568	0.030*
C2	0.0356 (3)	−0.1949 (5)	0.5099 (2)	0.0289 (10)
H2	0.0267	−0.2474	0.5428	0.035*
C3	−0.0204 (3)	−0.1836 (5)	0.4530 (2)	0.0313 (11)
H3	−0.0675	−0.2307	0.4465	0.038*
C4	−0.0075 (2)	−0.1013 (5)	0.4041 (2)	0.0278 (10)
C5	−0.0641 (3)	−0.0811 (6)	0.3436 (2)	0.0339 (11)
H5	−0.1121	−0.1258	0.3351	0.041*
C6	−0.0489 (3)	0.0016 (6)	0.2988 (2)	0.0365 (12)
H6	−0.0872	0.0154	0.2604	0.044*
C7	0.0253 (3)	0.0685 (5)	0.3093 (2)	0.0289 (10)
C8	0.0446 (3)	0.1556 (6)	0.2640 (2)	0.0348 (11)
H8	0.0081	0.1739	0.2250	0.042*
C9	0.1171 (3)	0.2124 (6)	0.2777 (2)	0.0349 (11)
H9	0.1303	0.2701	0.2482	0.042*
C10	0.1712 (3)	0.1839 (5)	0.3359 (2)	0.0290 (10)
H10	0.2210	0.2213	0.3440	0.035*
C11	0.0829 (2)	0.0478 (5)	0.3671 (2)	0.0237 (9)
C12	0.0656 (2)	−0.0368 (5)	0.4164 (2)	0.0234 (9)
C13	0.2350 (3)	−0.2627 (5)	0.4210 (2)	0.0312 (10)
H13	0.1877	−0.2785	0.4288	0.037*
C14	0.2679 (3)	−0.3736 (5)	0.3948 (2)	0.0379 (12)
H14	0.2419	−0.4600	0.3843	0.046*
C15	0.3377 (3)	−0.3543 (6)	0.3847 (2)	0.0375 (12)
H15	0.3605	−0.4282	0.3685	0.045*
C16	0.3749 (3)	−0.2222 (5)	0.3990 (2)	0.0319 (11)
C17	0.4484 (3)	−0.1899 (7)	0.3889 (2)	0.0408 (13)
H17	0.4745	−0.2613	0.3742	0.049*
C18	0.4802 (3)	−0.0585 (7)	0.4003 (3)	0.0430 (14)
H18	0.5273	−0.0409	0.3927	0.052*
C19	0.4429 (3)	0.0541 (6)	0.4237 (2)	0.0331 (11)
C20	0.4724 (3)	0.1939 (6)	0.4353 (2)	0.0393 (12)
H20	0.5186	0.2180	0.4274	0.047*
C21	0.4328 (3)	0.2934 (6)	0.4580 (2)	0.0374 (12)
H21	0.4521	0.3859	0.4659	0.045*
C22	0.3631 (3)	0.2568 (5)	0.4695 (2)	0.0288 (10)
H22	0.3368	0.3261	0.4852	0.035*
C23	0.3720 (2)	0.0255 (5)	0.4363 (2)	0.0242 (9)
C24	0.3377 (2)	−0.1148 (5)	0.42359 (19)	0.0238 (9)
C25	0.3210 (3)	−0.1131 (5)	0.5963 (2)	0.0315 (10)
H25	0.3253	−0.1884	0.5701	0.038*
C26	0.3545 (3)	−0.1271 (7)	0.6623 (3)	0.0437 (14)
H26	0.3812	−0.2099	0.6792	0.052*
C27	0.3477 (3)	−0.0184 (7)	0.7013 (3)	0.0437 (14)
H27	0.3696	−0.0269	0.7450	0.052*
C28	0.3075 (3)	0.1062 (6)	0.6756 (2)	0.0333 (11)
C29	0.2966 (3)	0.2253 (6)	0.7135 (2)	0.0405 (13)
H29	0.3175	0.2215	0.7574	0.049*
C30	0.2569 (3)	0.3414 (6)	0.6863 (2)	0.0383 (12)
H30	0.2506	0.4167	0.7118	0.046*
C31	0.2242 (3)	0.3520 (5)	0.6191 (2)	0.0301 (10)
C32	0.1828 (3)	0.4708 (5)	0.5884 (3)	0.0370 (12)
H32	0.1749	0.5486	0.6120	0.044*
C33	0.1537 (3)	0.4724 (5)	0.5234 (3)	0.0369 (12)
H33	0.1258	0.5507	0.5025	0.044*
C34	0.1667 (3)	0.3550 (5)	0.4893 (2)	0.0271 (10)
H34	0.1471	0.3572	0.4452	0.033*
C35	0.2344 (2)	0.2377 (5)	0.5808 (2)	0.0235 (9)
C36	0.2759 (2)	0.1130 (5)	0.6095 (2)	0.0244 (9)
B1	0.5917 (3)	0.4996 (7)	0.3923 (3)	0.0366 (13)
B2	0.4925 (4)	1.0025 (7)	0.1490 (4)	0.0475 (17)
F1	0.5174 (3)	0.4621 (5)	0.3646 (2)	0.0922 (17)
F2	0.6209 (3)	0.4429 (4)	0.45093 (17)	0.0689 (12)
F3	0.60229 (15)	0.6448 (3)	0.39024 (15)	0.0399 (7)
F4	0.6351 (3)	0.4370 (5)	0.3547 (2)	0.0865 (15)
F5	0.4886 (3)	0.9846 (5)	0.2141 (2)	0.0738 (12)
F6	0.5557 (2)	1.0845 (4)	0.15558 (16)	0.0625 (11)
F7	0.4259 (2)	1.0742 (5)	0.1195 (2)	0.0742 (13)
F8	0.4948 (3)	0.8703 (4)	0.1273 (2)	0.0852 (14)
C1S	0.9015 (5)	0.2643 (9)	0.7541 (3)	0.079 (2)
H1S1	0.8986	0.3610	0.7677	0.118*
H1S2	0.9017	0.2640	0.7106	0.118*
H1S3	0.9482	0.2205	0.7802	0.118*
C2S	0.8353 (5)	0.1856 (8)	0.7595 (4)	0.072 (2)
N1S	0.7831 (5)	0.1217 (10)	0.7631 (4)	0.098 (2)*

	U11	U22	U33	U12	U13	U23
Co1	0.0168 (3)	0.0217 (3)	0.0215 (3)	−0.0008 (2)	0.0067 (2)	−0.0004 (2)
N1	0.0199 (17)	0.0226 (18)	0.0255 (19)	−0.0003 (14)	0.0086 (15)	−0.0029 (14)
N2	0.0244 (18)	0.0242 (18)	0.0228 (19)	−0.0015 (15)	0.0094 (15)	−0.0027 (15)
N3	0.0224 (18)	0.0256 (19)	0.0237 (19)	0.0007 (15)	0.0086 (15)	−0.0003 (15)
N4	0.0196 (17)	0.028 (2)	0.0206 (18)	−0.0017 (15)	0.0048 (14)	0.0022 (15)
N5	0.0180 (17)	0.0275 (19)	0.0243 (19)	0.0005 (15)	0.0055 (14)	0.0053 (15)
N6	0.0198 (17)	0.0225 (18)	0.0239 (19)	−0.0019 (14)	0.0085 (14)	−0.0003 (14)
C1	0.024 (2)	0.025 (2)	0.029 (2)	0.0014 (18)	0.0118 (18)	0.0010 (18)
C2	0.030 (2)	0.027 (2)	0.037 (3)	−0.0012 (19)	0.020 (2)	−0.0002 (19)
C3	0.023 (2)	0.026 (2)	0.049 (3)	−0.0038 (18)	0.016 (2)	−0.005 (2)
C4	0.019 (2)	0.029 (2)	0.038 (3)	0.0007 (18)	0.0127 (19)	−0.008 (2)
C5	0.019 (2)	0.040 (3)	0.039 (3)	−0.001 (2)	0.003 (2)	−0.008 (2)
C6	0.025 (2)	0.041 (3)	0.036 (3)	0.001 (2)	−0.003 (2)	−0.007 (2)
C7	0.027 (2)	0.031 (2)	0.027 (2)	0.0050 (19)	0.0053 (19)	−0.0032 (19)
C8	0.037 (3)	0.040 (3)	0.023 (2)	0.005 (2)	0.003 (2)	−0.002 (2)
C9	0.042 (3)	0.039 (3)	0.024 (2)	−0.001 (2)	0.012 (2)	0.002 (2)
C10	0.031 (2)	0.031 (2)	0.026 (2)	−0.003 (2)	0.0093 (19)	−0.0006 (19)
C11	0.021 (2)	0.024 (2)	0.025 (2)	0.0012 (17)	0.0064 (18)	−0.0034 (17)
C12	0.020 (2)	0.024 (2)	0.027 (2)	0.0009 (17)	0.0081 (18)	−0.0053 (17)
C13	0.035 (3)	0.027 (2)	0.034 (3)	−0.001 (2)	0.013 (2)	−0.0016 (19)
C14	0.052 (3)	0.025 (2)	0.034 (3)	0.002 (2)	0.009 (2)	−0.004 (2)
C15	0.046 (3)	0.037 (3)	0.032 (3)	0.015 (2)	0.016 (2)	−0.002 (2)
C16	0.033 (2)	0.041 (3)	0.021 (2)	0.012 (2)	0.0076 (19)	0.001 (2)
C17	0.030 (3)	0.066 (4)	0.030 (3)	0.012 (3)	0.014 (2)	−0.006 (2)
C18	0.027 (2)	0.073 (4)	0.035 (3)	0.003 (3)	0.019 (2)	−0.004 (3)
C19	0.022 (2)	0.056 (3)	0.022 (2)	−0.002 (2)	0.0085 (19)	0.005 (2)
C20	0.024 (2)	0.062 (3)	0.033 (3)	−0.015 (2)	0.011 (2)	0.004 (2)
C21	0.033 (3)	0.042 (3)	0.034 (3)	−0.016 (2)	0.006 (2)	0.002 (2)
C22	0.028 (2)	0.031 (2)	0.025 (2)	−0.0075 (19)	0.0041 (18)	0.0014 (19)
C23	0.020 (2)	0.035 (2)	0.016 (2)	0.0003 (18)	0.0035 (16)	0.0008 (17)
C24	0.024 (2)	0.032 (2)	0.015 (2)	0.0033 (18)	0.0057 (16)	0.0008 (17)
C25	0.023 (2)	0.036 (3)	0.036 (3)	0.004 (2)	0.010 (2)	0.008 (2)
C26	0.031 (3)	0.056 (3)	0.043 (3)	0.009 (2)	0.007 (2)	0.023 (3)
C27	0.030 (3)	0.068 (4)	0.030 (3)	0.002 (3)	0.004 (2)	0.016 (3)
C28	0.024 (2)	0.052 (3)	0.022 (2)	−0.008 (2)	0.0049 (19)	0.006 (2)
C29	0.040 (3)	0.064 (4)	0.018 (2)	−0.014 (3)	0.009 (2)	−0.007 (2)
C30	0.040 (3)	0.045 (3)	0.034 (3)	−0.011 (2)	0.017 (2)	−0.014 (2)
C31	0.029 (2)	0.034 (3)	0.032 (3)	−0.010 (2)	0.015 (2)	−0.011 (2)
C32	0.042 (3)	0.026 (2)	0.051 (3)	−0.005 (2)	0.026 (3)	−0.012 (2)
C33	0.045 (3)	0.027 (3)	0.045 (3)	0.004 (2)	0.023 (2)	0.001 (2)
C34	0.027 (2)	0.027 (2)	0.030 (2)	0.0017 (18)	0.0120 (19)	0.0040 (18)
C35	0.018 (2)	0.028 (2)	0.026 (2)	−0.0055 (17)	0.0089 (17)	−0.0021 (18)
C36	0.0172 (19)	0.033 (2)	0.023 (2)	−0.0053 (18)	0.0060 (17)	0.0001 (18)
B1	0.035 (3)	0.042 (3)	0.032 (3)	−0.010 (3)	0.008 (2)	0.001 (3)
B2	0.034 (3)	0.035 (3)	0.061 (4)	−0.006 (3)	−0.004 (3)	0.006 (3)
F1	0.066 (3)	0.086 (3)	0.096 (3)	−0.043 (2)	−0.020 (2)	0.043 (3)
F2	0.096 (3)	0.051 (2)	0.040 (2)	0.005 (2)	−0.0088 (19)	0.0005 (16)
F3	0.0271 (14)	0.0351 (16)	0.060 (2)	−0.0011 (12)	0.0168 (13)	0.0045 (14)
F4	0.129 (4)	0.062 (3)	0.089 (3)	−0.011 (3)	0.066 (3)	−0.017 (2)
F5	0.078 (3)	0.089 (3)	0.059 (2)	−0.013 (2)	0.027 (2)	0.001 (2)
F6	0.055 (2)	0.075 (2)	0.043 (2)	−0.0238 (18)	−0.0066 (16)	0.0258 (18)
F7	0.0396 (19)	0.105 (3)	0.069 (3)	0.012 (2)	0.0018 (18)	−0.033 (2)
F8	0.132 (4)	0.048 (2)	0.091 (3)	0.007 (2)	0.057 (3)	−0.008 (2)
C1S	0.116 (7)	0.074 (5)	0.045 (4)	0.001 (5)	0.023 (4)	0.008 (4)
C2S	0.094 (6)	0.059 (4)	0.080 (5)	0.030 (4)	0.051 (5)	0.024 (4)

Co1—N4	2.123 (4)	C17—C18	1.349 (8)
Co1—N2	2.129 (4)	C17—H17	0.9300
Co1—N6	2.129 (4)	C18—C19	1.428 (8)
Co1—N1	2.131 (3)	C18—H18	0.9300
Co1—N5	2.133 (4)	C19—C20	1.407 (8)
Co1—N3	2.142 (4)	C19—C23	1.413 (6)
N1—C1	1.331 (6)	C20—C21	1.357 (8)
N1—C12	1.353 (6)	C20—H20	0.9300
N2—C10	1.331 (6)	C21—C22	1.398 (7)
N2—C11	1.355 (6)	C21—H21	0.9300
N3—C13	1.327 (6)	C22—H22	0.9300
N3—C24	1.355 (6)	C23—C24	1.444 (7)
N4—C22	1.332 (6)	C25—C26	1.406 (7)
N4—C23	1.351 (6)	C25—H25	0.9300
N5—C25	1.334 (6)	C26—C27	1.362 (9)
N5—C36	1.366 (6)	C26—H26	0.9300
N6—C34	1.331 (6)	C27—C28	1.401 (8)
N6—C35	1.356 (6)	C27—H27	0.9300
C1—C2	1.398 (6)	C28—C36	1.400 (6)
C1—H1	0.9300	C28—C29	1.441 (8)
C2—C3	1.361 (7)	C29—C30	1.342 (8)
C2—H2	0.9300	C29—H29	0.9300
C3—C4	1.400 (7)	C30—C31	1.428 (7)
C3—H3	0.9300	C30—H30	0.9300
C4—C12	1.401 (6)	C31—C32	1.396 (7)
C4—C5	1.432 (7)	C31—C35	1.409 (6)
C5—C6	1.346 (8)	C32—C33	1.373 (8)
C5—H5	0.9300	C32—H32	0.9300
C6—C7	1.432 (7)	C33—C34	1.392 (7)
C6—H6	0.9300	C33—H33	0.9300
C7—C11	1.399 (6)	C34—H34	0.9300
C7—C8	1.413 (7)	C35—C36	1.429 (6)
C8—C9	1.359 (7)	B1—F1	1.344 (7)
C8—H8	0.9300	B1—F2	1.351 (7)
C9—C10	1.388 (7)	B1—F3	1.376 (7)
C9—H9	0.9300	B1—F4	1.426 (8)
C10—H10	0.9300	B2—F8	1.333 (8)
C11—C12	1.451 (6)	B2—F6	1.346 (7)
C13—C14	1.405 (7)	B2—F7	1.360 (7)
C13—H13	0.9300	B2—F5	1.468 (9)
C14—C15	1.353 (8)	C1S—C2S	1.438 (12)
C14—H14	0.9300	C1S—H1S1	0.9600
C15—C16	1.398 (8)	C1S—H1S2	0.9600
C15—H15	0.9300	C1S—H1S3	0.9600
C16—C24	1.405 (6)	C2S—N1S	1.139 (11)
C16—C17	1.440 (7)
N4—Co1—N2	96.35 (14)	C24—C16—C17	118.5 (5)
N4—Co1—N6	94.96 (14)	C18—C17—C16	121.5 (5)
N2—Co1—N6	94.71 (14)	C18—C17—H17	119.3
N4—Co1—N1	170.19 (14)	C16—C17—H17	119.3
N2—Co1—N1	78.55 (14)	C17—C18—C19	121.4 (5)
N6—Co1—N1	93.82 (13)	C17—C18—H18	119.3
N4—Co1—N5	92.75 (13)	C19—C18—H18	119.3
N2—Co1—N5	168.89 (14)	C20—C19—C23	117.1 (5)
N6—Co1—N5	78.11 (14)	C20—C19—C18	124.0 (5)
N1—Co1—N5	93.34 (14)	C23—C19—C18	118.9 (5)
N4—Co1—N3	78.43 (14)	C21—C20—C19	119.6 (4)
N2—Co1—N3	91.24 (14)	C21—C20—H20	120.2
N6—Co1—N3	171.57 (13)	C19—C20—H20	120.2
N1—Co1—N3	93.21 (13)	C20—C21—C22	120.0 (5)
N5—Co1—N3	96.84 (14)	C20—C21—H21	120.0
C1—N1—C12	117.8 (4)	C22—C21—H21	120.0
C1—N1—Co1	128.9 (3)	N4—C22—C21	122.1 (5)
C12—N1—Co1	113.2 (3)	N4—C22—H22	118.9
C10—N2—C11	117.9 (4)	C21—C22—H22	118.9
C10—N2—Co1	128.8 (3)	N4—C23—C19	122.6 (4)
C11—N2—Co1	113.3 (3)	N4—C23—C24	117.7 (4)
C13—N3—C24	118.1 (4)	C19—C23—C24	119.7 (4)
C13—N3—Co1	129.0 (3)	N3—C24—C16	122.6 (4)
C24—N3—Co1	112.9 (3)	N3—C24—C23	117.5 (4)
C22—N4—C23	118.6 (4)	C16—C24—C23	119.9 (4)
C22—N4—Co1	127.9 (3)	N5—C25—C26	122.1 (5)
C23—N4—Co1	113.5 (3)	N5—C25—H25	119.0
C25—N5—C36	118.2 (4)	C26—C25—H25	119.0
C25—N5—Co1	128.6 (3)	C27—C26—C25	119.5 (5)
C36—N5—Co1	113.2 (3)	C27—C26—H26	120.2
C34—N6—C35	118.1 (4)	C25—C26—H26	120.2
C34—N6—Co1	128.1 (3)	C26—C27—C28	120.0 (5)
C35—N6—Co1	113.7 (3)	C26—C27—H27	120.0
N1—C1—C2	123.0 (4)	C28—C27—H27	120.0
N1—C1—H1	118.5	C36—C28—C27	117.4 (5)
C2—C1—H1	118.5	C36—C28—C29	119.1 (5)
C3—C2—C1	118.7 (4)	C27—C28—C29	123.6 (5)
C3—C2—H2	120.6	C30—C29—C28	120.9 (5)
C1—C2—H2	120.6	C30—C29—H29	119.5
C2—C3—C4	120.4 (4)	C28—C29—H29	119.5
C2—C3—H3	119.8	C29—C30—C31	121.4 (5)
C4—C3—H3	119.8	C29—C30—H30	119.3
C3—C4—C12	116.9 (4)	C31—C30—H30	119.3
C3—C4—C5	123.7 (4)	C32—C31—C35	117.5 (4)
C12—C4—C5	119.4 (4)	C32—C31—C30	123.6 (5)
C6—C5—C4	121.1 (4)	C35—C31—C30	118.8 (5)
C6—C5—H5	119.5	C33—C32—C31	119.8 (4)
C4—C5—H5	119.5	C33—C32—H32	120.1
C5—C6—C7	121.2 (4)	C31—C32—H32	120.1
C5—C6—H6	119.4	C32—C33—C34	119.0 (5)
C7—C6—H6	119.4	C32—C33—H33	120.5
C11—C7—C8	116.9 (4)	C34—C33—H33	120.5
C11—C7—C6	119.3 (4)	N6—C34—C33	123.1 (4)
C8—C7—C6	123.7 (4)	N6—C34—H34	118.4
C9—C8—C7	119.5 (4)	C33—C34—H34	118.4
C9—C8—H8	120.2	N6—C35—C31	122.5 (4)
C7—C8—H8	120.2	N6—C35—C36	117.5 (4)
C8—C9—C10	119.7 (5)	C31—C35—C36	120.0 (4)
C8—C9—H9	120.1	N5—C36—C28	122.8 (4)
C10—C9—H9	120.1	N5—C36—C35	117.5 (4)
N2—C10—C9	122.7 (4)	C28—C36—C35	119.7 (4)
N2—C10—H10	118.6	F1—B1—F2	112.6 (5)
C9—C10—H10	118.6	F1—B1—F3	111.9 (5)
N2—C11—C7	123.1 (4)	F2—B1—F3	113.7 (5)
N2—C11—C12	117.4 (4)	F1—B1—F4	105.9 (5)
C7—C11—C12	119.5 (4)	F2—B1—F4	105.7 (5)
N1—C12—C4	123.2 (4)	F3—B1—F4	106.3 (4)
N1—C12—C11	117.4 (4)	F8—B2—F6	116.8 (6)
C4—C12—C11	119.4 (4)	F8—B2—F7	113.9 (5)
N3—C13—C14	122.3 (5)	F6—B2—F7	111.6 (5)
N3—C13—H13	118.8	F8—B2—F5	105.2 (5)
C14—C13—H13	118.8	F6—B2—F5	104.2 (5)
C15—C14—C13	119.9 (5)	F7—B2—F5	103.5 (6)
C15—C14—H14	120.1	C2S—C1S—H1S1	109.5
C13—C14—H14	120.1	C2S—C1S—H1S2	109.5
C14—C15—C16	119.3 (5)	H1S1—C1S—H1S2	109.5
C14—C15—H15	120.4	C2S—C1S—H1S3	109.5
C16—C15—H15	120.4	H1S1—C1S—H1S3	109.5
C15—C16—C24	117.8 (4)	H1S2—C1S—H1S3	109.5
C15—C16—C17	123.6 (5)	N1S—C2S—C1S	178.8 (10)

Table 1

Selected geometric parameters (Å, °)

Co1—N4	2.123 (4)
Co1—N2	2.129 (4)
Co1—N6	2.129 (4)
Co1—N1	2.131 (3)
Co1—N5	2.133 (4)
Co1—N3	2.142 (4)