Cobalt(II) and cobalt(III) complexes with 4'-(4-cyano­phen­yl)-2,2':6',2''-terpyridine

4'-Cyano­phenyl-2,2':6',2''-terpyridine (cptpy) was employed as an N,N',N''-tridentate ligand to synthesize the compounds bis­[4'-(4-cyano­phen­yl)-2,2':6',2''-terpyridine]cobalt(II) bis­(tetra­fluoridoborate) nitro­methane solvate, [Co^II(C₂₂H₁₄N₄)₂](BF₄)₂·CH₃NO₂, (I), and bis­[4'-(4-cyano­phen­yl)-2,2':6',2''-ter­pyridine]cobalt(III) tris­(tetra­fluoridoborate) nitro­methane sesquisolvate, [Co^III(C₂₂H₁₄N₄)₂](BF₄)₃·1.5CH₃NO₂, (II). In both complexes, the cobalt ions occupy a distorted octa­hedral geometry with two cptpy ligands in a meridional configuration. A greater distortion from octa­hedral geometry is observed in (I), which indicates a different steric consequence of the constrained ligand bite on the Co^II and Co^III ions. The crystal structure of (I) features an inter­locked sheet motif, which differs from the one-dimensional chain packing style present in (II). The lower dimensionality in (II) can be explained by the disturbance caused by the larger number of anions and solvent mol­ecules involved in the crystal structure of (II). All atoms in (I) are on general positions, and the F atoms of one BF₄^- anion are disordered. In (II), one B atom is on an inversion center, necessitating disorder of the four attached F atoms, another B atom is on a twofold axis with ordered F atoms, and the C and N atoms of one nitro­methane solvent mol­ecule are on a twofold axis, causing disorder of the methyl H atoms. This relatively uncommon study of analogous Co^II and Co^III complexes provides a better understanding of the effects of different oxidation states on coordination geometry and crystal packing.

S1. Comment

[Co(tpy)₂]²⁺ (tpy is terpyridine) and its derivatives have been attracting much attention because of their considerable variety of spin-crossover (SCO) behaviors (Judge & Baker, 1967; Kremer et al., 1982). The introduction of substituents into the 4'-positions of the terpyridines leads to properties with potential application in luminescence (Alcock et al., 2000), photochemistry (Yutaka et al., 2003), construction of multi-metallic arrays (Mutai et al., 2001) and enhancement of SCO characteristics (Gaspar et al., 2001; Hayami et al., 2005). We have designed the 4'-cyanophenyl-substituted ligand and prepared the first two cobalt complexes of this family, (I) and (II). These complexes could potentially be used as building blocks for new multinuclear supramolecular complexes with versatile physicochemical properties via bridging through the cyano groups in the molecule. Relatively few studies of the Co^III complexes with such ligands have been carried out (Yutaka et al., 2003). Figgis et al. (1983) observed significant changes in metal–ligand distance between Co^II and Co^III complexes of unsubstituted terpyridine, but there is no comparative information on 4'-substituted terpyridine species. The present crystallographic study is intended to contribute to a better understanding of the comparative coordination geometry dependent on the oxidation state of the metal center.

The structure analysis confirms the bis-meridional configuration for both complex cations (Fig. 1). In complex (I), the Co—N distances (Table 1) are significantly longer than those observed in low spin (LS) Co^II species [1.873 (11)–1.971 (13) Å (Alcock et al., 2000) and 1.849 (6)–1.956 (6) Å (Galet et al., 2006)] and are comparable to those of high spin (HS) Co^II species [2.018 (2)–2.180 (3) Å (Galet et al., 2006) and 2.075 (5)–2.189 (3) Å (Takusagawa et al., 1986)], representing a characteristic feature of the HS state. The Co—N distances of (II) (Table 2) are close to those reported in [Co(tpy)₂]Cl₃ [1.853 (7)–1.937 (7) Å; Figgis et al., 1983], suggesting an LS state for (II). In both complexes, the Co—N_central distances are shorter than the Co—N_terminal distances, characterizing a compression along the N2—Co—N5 central axis. This compression indicates the steric effect of the constrained cptpy ligand bite on the metal center in the two complexes.

Furthermore, the N_terminal—Co—N_terminal bite angles for the terpyridyl chelates in (I) (Table 1) fall in the range reported for the Co^II complexes of 4'-aryl-substituted terpyridines (Yutaka et al., 2003; Alcock et al., 2000; Whittle et al., 1998) and deviate considerably from ideal octahedral geometry. In (II), the bite angles are about 10° larger (Table 2). The terpyridyl units of the ligands are approximately planar. The N—C—C—N torsion angles of the two pyridyl rings of (I) [3.9 (8)–9.4 (7)° {3.8</span>(7)–9.5 (6)°?}] are markedly larger than those observed for (II) [1.2 (5)–5.1 (6)° {please check values; torsion angles for (II) not supplied in CIF}]. Thus, it can be seen that the coordination environment around the Co^III ion has a more ideal octahedral geometry than that observed in the Co^II complex.

The phenyl rings of the cptpy ligands in each case are twisted significantly with respect to the terpyridyl units. The dihedral angles between the mean planes of the phenyl ring and terpyridyl unit are 33.8 (1) and 46.3 (2)° in (I) versus the much lower 18.8 (2) and 26.3 (1)° in (II). Since such twisting is especially sensitive to intermolecular interactions (Brock & Minton, 1989), it reveals the influence from the crystal packing effects in (I) and (II).

In (I), two types of interactions between terminal pyridyl rings of mutually adjacent molecules, namely offset π–π interactions [the nearest C—C distance is 3.376 (7) Å] and edge-to-face C—H···π interactions [C···π = 3.684 (7) Å {dihedral angle?}], operate in concert (Fig. 2). As is observed in [M(tpy)₂]²⁺ complexes where the ratio of anions to cations is 2:1 (Scudder et al., 1999), the interactions involving anions and solvent molecules do not in general disrupt the motif of (I). Each terminal pyridyl ring of a ligand participates in these interactions with its adjacent molecules, thus forming a layer of interlocked cations. The layers stack through offset π–π interactions [with nearest C—C distances of 3.460 (9) and 3.618 (8) Å] between the phenyl rings and the central pyridyl rings of adjacent molecules [with dihedral angles of 3.4 (2) and 10.2 (2)°], as well as C—H···π interactions [C···π = 3.307 (9) Å and C—H···π = 31.9 (2)°] between the phenyl rings of adjacent molecules. As a result of the distortion of phenyl–terpyridyl unit, alternating layers in the stack are rotated by 45°. This packing motif is also observed in [Cu(terpy)₂](PF₆)₂ (Scudder et al., 1999).

The crystal packing of (II) is disrupted compared with that in (I) by the greater number of BF₄^- ions and CH₃NO₂ molecules, which hinder the formation of C—H···π interactions between the terminal pyridyl rings. The complex cations are linked by π–π interactions to form a one-dimensional supramolecular chain similar to those seen in biphenyl-substituted species (Alcock et al., 2000) (Fig. 3). A two-dimensional layer is built by π–π interactions between terminal pyridyl rings of adjacent chains [3.199 (9) Å] and stabilized by C—H···π interactions between terminal pyridyl and phenyl rings [3.546 (8) Å and 46.5 (2)°]. As a result, the N2—Co—N5 central axes of molecules in adjacent layers are approximately perpendicular to each other, showing a visual crossover grid.

The difference in packing patterns between (I) and (II) may be attributed to the number of anions and solvent molecules. The larger ionic radius of Co^II and greater distortion from octahedral geometry make it possible to build a different packing style of higher dimensionality involving fewer anions and solvent molecules as compared with the situation with Co^III. Given the sensitivity of the crystal packing to the number, charge and size of the constituent ions a the number of solvent molecules, it will be necessary to conduct more comparative studies of this type in order to obtain more relevant and precise conclusions.

Related literature

For related literature, see: Alcock et al. (2000); Chamchoumis & Potvin (1998); Constable et al. (1990); Figgis et al. (1983); Galet et al. (2006); Gaspar et al. (2001); Hayami et al. (2005); Judge & Baker (1967); Kremer et al. (1982); Mutai et al. (2001); Scudder et al. (1999); Whittle et al. (1998); Yutaka et al. (2003).

S2. Experimental

4'-Cyanophenyl-2,2':6',2''-terpyridine was synthesized according to literature procedures (Chamchoumis & Potvin, 1998; Constable et al., 1990). For the synthesis of (I), a solution of Co(BF₄)₂.6H₂O (0.1 mmol) in methanol (20 ml) was layered over a solution of cptpy (0.2 mmol) in dichloromethane (20 ml). Red needle-shaped crystals of (I) formed after one week at 278 K. Red block-shaped crystals of (I) suitable for X-ray diffraction were obtained by recrystallization from a nitromethane/diethyl ether system after one week at 313 K. Complex (II) was prepared by adding a tetrahydrofuran solution of AgBF₄ to a nitromethane solution of (I) [quantities of reagents?]. After one week at room temperature, orange crystals of (II) suitable for X-ray diffraction were obtained. Oxidation by the Ag^I ion resulted in the formation of the Co^III species from (I).

S3. Refinement

All H atoms were positioned geometrically and treated as riding [C—H = 0.95 and 0.98 Å, and U_iso(H) = 1.2U_eq(C)]. One BF₄^- anion (containing B2) in (I) was disordered such that three of the F atoms were each distributed over two positions with 50% occupancy. In (II) one BF₄^- anion (containing B4) was disordered with all four F atoms statistically distributed over two sites related by inversion symmetry. The methyl H atoms on one nitromethane molecule (containing N10 and C46) were statistically disordered over two sets of positions related by twofold rotation.

Computing details

For both compounds, data collection: CrystalClear (Rigaku Corporation, 2001); cell refinement: CrystalClear (Rigaku Corporation, 2001). Data reduction: CrystalStructure (Rigaku Corporation, 2001) for (I); TEXSAN (Molecular Structure Corporation & Rigaku Corporation, 2000) for (II). Program(s) used to solve structure: SIR97 (Altomare et al., 1994) for (I); SIR92 (Altomare et al., 1994) for (II). For both compounds, program(s) used to refine structure: SHELXL97 (Sheldrick, 2008). Molecular graphics: CrystalStructure (Rigaku Corporation, 2001) for (I); TEXSAN (Molecular Structure Corporation & Rigaku Corporation, 2000) for (II). Software used to prepare material for publication: CrystalStructure (Rigaku Corporation, 2001) for (I); TEXSAN (Molecular Structure Corporation & Rigaku Corporation, 2000) for (II).

Figures

	Fig. 1. The molecular structures of the cobalt complexes in (I) and (II), showing the atom-labeling schemes and 50% probability displacement ellipsoids. For clarity, H atoms, BF4^- anions and CH3NO2 molecules are not shown.
	Fig. 2. The intermolecular interaction scheme of the [Co(cptpy)2]^2+ complexes in (I). The π–π interactions are indicated by double-headed arrows and C—H···π interactions are indicated by dashed lines.
	Fig. 3. Packing of the [Co(cptpy)3]^3+ complexes in (II). Double-headed arrows indicate π–π interactions.

(I) bis[4'-(4-cyanophenyl)-2,2':6',2''-terpyridine]cobalt(II) bis(tetrafluoridoborate) nitromethane solvate

Crystal data

[Co(C22H14N4)2](BF4)2·CH3NO2	F(000) = 1956.00
Mr = 962.34	Dx = 1.552 Mg m^−3
Monoclinic, Cc	Mo Kα radiation, λ = 0.71070 Å
Hall symbol: C -2yc	Cell parameters from 4860 reflections
a = 13.304 (13) Å	θ = 3.1–27.5°
b = 12.125 (12) Å	µ = 0.51 mm^−1
c = 27.30 (3) Å	T = 120 K
β = 110.761 (12)°	Block, red
V = 4118 (7) Å^3	0.20 × 0.20 × 0.10 mm
Z = 4

Data collection

Rigaku Mercury diffractometer	Rint = 0.056
Detector resolution: 7.31 pixels mm^-1	θmax = 27.5°
ω scans	h = −11→17
23489 measured reflections	k = −15→15
8003 independent reflections	l = −35→35
6271 reflections with F^2 > 2σ(F^2)

Refinement

Refinement on F^2	w = 1/[σ^2(Fo^2) + (0.0976P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.070	(Δ/σ)max < 0.001
wR(F^2) = 0.169	Δρmax = 1.13 e Å^−3
S = 1.04	Δρmin = −0.43 e Å^−3
8003 reflections	Absolute structure: Flack (1983), 3285 Friedel pairs
632 parameters	Absolute structure parameter: 0.026 (19)
H-atom parameters constrained

Special details

Geometry. ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY

Refinement. Refinement was performed using all reflections. The weighted R-factor (wR) and goodness of fit (S) are based on F^2^. R-factor (gt) are based on F. The threshold expression of F^2^ > 2.0 σ(F^2^) is used only for calculating R-factor (gt).

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Co1	0.91661 (6)	0.24303 (5)	0.36935 (3)	0.03026 (16)
F1	0.9936 (2)	−0.0648 (2)	0.58424 (13)	0.0515 (8)
F2	0.9909 (4)	0.0583 (4)	0.64513 (18)	0.0949 (15)
F3	0.8384 (4)	−0.0294 (4)	0.5993 (3)	0.118 (2)
F4	0.9105 (4)	0.1021 (3)	0.5635 (2)	0.0883 (15)
F5	0.8793 (9)	0.2208 (19)	0.7061 (3)	0.120 (7)	0.50
F6	0.8582 (8)	0.3335 (12)	0.7600 (9)	0.109 (6)	0.50
F7	0.8242 (11)	0.1657 (17)	0.7668 (9)	0.169 (11)	0.50
F8	0.7105 (3)	0.2575 (3)	0.70447 (15)	0.0601 (11)
F9	0.8388 (11)	0.245 (2)	0.7844 (3)	0.165 (11)	0.50
F10	0.8748 (15)	0.307 (2)	0.7225 (13)	0.254 (18)	0.50
F11	0.8421 (11)	0.1373 (13)	0.7286 (12)	0.187 (12)	0.50
O1	0.6148 (6)	0.2537 (4)	0.5200 (2)	0.080 (2)
O2	0.7191 (4)	0.3928 (4)	0.5257 (2)	0.0738 (14)
N1	0.9913 (3)	0.4008 (3)	0.38735 (18)	0.0407 (10)
N2	1.0126 (4)	0.2289 (3)	0.4447 (2)	0.0342 (11)
N3	0.8744 (3)	0.0838 (3)	0.39044 (16)	0.0316 (9)
N4	1.0294 (3)	0.1764 (3)	0.33722 (16)	0.0315 (9)
N5	0.8273 (3)	0.2282 (3)	0.29211 (19)	0.0296 (10)
N6	0.7655 (3)	0.3110 (3)	0.36453 (17)	0.0339 (9)
N7	1.5792 (4)	0.0508 (5)	0.7683 (2)	0.0658 (16)
N8	0.3523 (4)	−0.0829 (4)	−0.02878 (19)	0.0515 (13)
N9	0.6898 (5)	0.3110 (4)	0.5441 (2)	0.0553 (13)
C1	1.0849 (4)	0.3074 (4)	0.4682 (2)	0.0352 (11)
C2	1.1641 (4)	0.2917 (4)	0.5160 (2)	0.0339 (11)
C3	1.1691 (4)	0.1909 (4)	0.5415 (2)	0.0375 (12)
C4	1.0928 (4)	0.1114 (4)	0.5185 (2)	0.0342 (11)
C5	1.0162 (4)	0.1298 (4)	0.46995 (19)	0.0312 (10)
C6	1.0693 (4)	0.4100 (4)	0.4368 (2)	0.0337 (11)
C7	1.1244 (4)	0.5069 (4)	0.4540 (2)	0.0418 (13)
C8	1.1012 (5)	0.5964 (5)	0.4211 (2)	0.0547 (16)
C9	1.0240 (5)	0.5896 (4)	0.3723 (2)	0.0503 (15)
C10	0.9718 (5)	0.4901 (5)	0.3572 (2)	0.0498 (14)
C11	0.9350 (4)	0.0503 (3)	0.4394 (2)	0.0319 (11)
C12	0.9217 (4)	−0.0555 (4)	0.4572 (2)	0.0349 (11)
C13	0.8477 (4)	−0.1260 (4)	0.4249 (2)	0.0373 (12)
C14	0.7853 (4)	−0.0922 (4)	0.3754 (2)	0.0380 (13)
C15	0.7986 (4)	0.0149 (4)	0.3599 (2)	0.0385 (12)
C16	1.2574 (4)	0.1660 (4)	0.5929 (2)	0.0338 (11)
C17	1.3586 (4)	0.2151 (4)	0.6048 (2)	0.0390 (12)
C18	1.4413 (4)	0.1884 (5)	0.6502 (2)	0.0464 (14)
C19	1.4244 (4)	0.1107 (5)	0.6848 (2)	0.0398 (13)
C20	1.3238 (4)	0.0641 (5)	0.6739 (2)	0.0419 (13)
C21	1.2395 (4)	0.0924 (4)	0.6290 (2)	0.0436 (13)
C22	1.5122 (5)	0.0794 (5)	0.7316 (2)	0.0502 (15)
C23	0.8695 (4)	0.1703 (4)	0.2618 (2)	0.0339 (11)
C24	0.8056 (4)	0.1311 (4)	0.2130 (2)	0.0321 (11)
C25	0.6949 (4)	0.1545 (4)	0.1951 (2)	0.0343 (11)
C26	0.6547 (4)	0.2158 (4)	0.2270 (2)	0.0370 (12)
C27	0.7222 (4)	0.2488 (4)	0.27568 (19)	0.0311 (11)
C28	0.9870 (4)	0.1495 (4)	0.2866 (2)	0.0331 (11)
C29	1.0487 (4)	0.1083 (4)	0.2587 (2)	0.0340 (11)
C30	1.1589 (4)	0.0954 (4)	0.2853 (2)	0.0405 (12)
C31	1.2019 (4)	0.1214 (4)	0.3372 (2)	0.0389 (12)
C32	1.1352 (4)	0.1598 (4)	0.3625 (2)	0.0350 (11)
C33	0.6866 (4)	0.3030 (3)	0.3160 (2)	0.0316 (10)
C34	0.5824 (4)	0.3395 (4)	0.3062 (2)	0.0390 (12)
C35	0.5577 (4)	0.3833 (4)	0.3472 (2)	0.0408 (13)
C36	0.6365 (4)	0.3917 (4)	0.3964 (2)	0.0414 (13)
C37	0.7396 (4)	0.3559 (4)	0.4027 (2)	0.0390 (12)
C38	0.6209 (4)	0.1063 (4)	0.14486 (19)	0.0327 (11)
C39	0.6397 (5)	−0.0003 (4)	0.1313 (2)	0.0431 (13)
C40	0.5685 (5)	−0.0474 (4)	0.0862 (2)	0.0482 (14)
C41	0.4841 (4)	0.0140 (4)	0.0536 (2)	0.0384 (12)
C42	0.4685 (5)	0.1231 (4)	0.0653 (2)	0.0416 (13)
C43	0.5382 (4)	0.1677 (5)	0.1114 (2)	0.0433 (13)
C44	0.4099 (4)	−0.0390 (4)	0.0062 (2)	0.0424 (13)
C45	0.7466 (6)	0.2862 (6)	0.6000 (2)	0.0622 (18)
B1	0.9282 (5)	0.0141 (5)	0.5972 (2)	0.0426 (15)
B2	0.8179 (5)	0.2396 (6)	0.7338 (2)	0.0449 (16)
H2	1.2147	0.3483	0.5316	0.041*
H4	1.0933	0.0439	0.5362	0.041*
H7	1.1777	0.5117	0.4880	0.050*
H8	1.1392	0.6636	0.4323	0.066*
H9	1.0067	0.6514	0.3494	0.060*
H10	0.9185	0.4851	0.3231	0.060*
H12	0.9642	−0.0779	0.4917	0.042*
H13	0.8395	−0.1981	0.4365	0.045*
H14	0.7341	−0.1406	0.3523	0.046*
H15	0.7524	0.0401	0.3265	0.046*
H17	1.3701	0.2671	0.5813	0.047*
H18	1.5097	0.2221	0.6583	0.056*
H20	1.3127	0.0121	0.6975	0.050*
H21	1.1699	0.0626	0.6225	0.052*
H24	0.8358	0.0895	0.1922	0.039*
H26	0.5807	0.2349	0.2152	0.044*
H29	1.0166	0.0897	0.2226	0.041*
H30	1.2036	0.0686	0.2675	0.049*
H31	1.2769	0.1133	0.3558	0.047*
H32	1.1651	0.1750	0.3990	0.042*
H34	0.5293	0.3345	0.2721	0.047*
H35	0.4866	0.4076	0.3417	0.049*
H36	0.6207	0.4212	0.4251	0.050*
H37	0.7943	0.3639	0.4361	0.047*
H39	0.7007	−0.0403	0.1529	0.052*
H40	0.5778	−0.1218	0.0777	0.058*
H42	0.4114	0.1657	0.0422	0.050*
H43	0.5288	0.2419	0.1201	0.052*
H45A	0.7145	0.3288	0.6212	0.075*
H45B	0.8226	0.3059	0.6098	0.075*
H45C	0.7403	0.2072	0.6062	0.075*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.0292 (3)	0.0317 (3)	0.0299 (2)	0.0003 (3)	0.0106 (2)	0.0018 (3)
F1	0.059 (2)	0.0513 (19)	0.0524 (19)	−0.0036 (16)	0.0294 (17)	0.0012 (16)
F2	0.110 (3)	0.101 (3)	0.070 (2)	0.004 (3)	0.028 (2)	−0.016 (2)
F3	0.094 (3)	0.070 (3)	0.225 (6)	−0.019 (2)	0.099 (4)	−0.020 (3)
F4	0.131 (4)	0.057 (2)	0.105 (3)	0.017 (2)	0.077 (3)	0.013 (2)
F5	0.039 (6)	0.29 (2)	0.034 (4)	0.065 (10)	0.009 (3)	−0.035 (8)
F6	0.030 (4)	0.100 (9)	0.194 (17)	−0.016 (5)	0.036 (8)	−0.101 (11)
F7	0.063 (7)	0.179 (16)	0.25 (2)	0.022 (11)	0.040 (13)	0.202 (18)
F8	0.036 (2)	0.097 (3)	0.042 (2)	0.0088 (18)	0.0060 (16)	−0.0158 (19)
F9	0.056 (8)	0.41 (3)	0.022 (4)	0.060 (16)	0.003 (4)	−0.028 (9)
F10	0.091 (15)	0.29 (2)	0.29 (3)	−0.091 (19)	−0.047 (16)	0.24 (2)
F11	0.051 (8)	0.095 (9)	0.34 (2)	0.021 (6)	−0.025 (12)	−0.134 (14)
O1	0.116 (5)	0.056 (3)	0.052 (3)	−0.016 (3)	0.007 (3)	0.011 (2)
O2	0.070 (3)	0.073 (3)	0.086 (3)	0.017 (2)	0.037 (2)	0.030 (2)
N1	0.038 (2)	0.042 (2)	0.045 (2)	−0.001 (2)	0.019 (2)	0.003 (2)
N2	0.046 (3)	0.025 (2)	0.038 (2)	0.001 (2)	0.023 (2)	0.0021 (19)
N3	0.027 (2)	0.033 (2)	0.032 (2)	−0.0019 (18)	0.0057 (18)	−0.0019 (18)
N4	0.032 (2)	0.029 (2)	0.033 (2)	−0.0050 (18)	0.0109 (18)	−0.0018 (18)
N5	0.024 (2)	0.032 (2)	0.033 (2)	0.0034 (19)	0.011 (2)	0.0045 (19)
N6	0.036 (2)	0.029 (2)	0.041 (2)	−0.0042 (19)	0.020 (2)	−0.0024 (19)
N7	0.042 (3)	0.101 (4)	0.051 (3)	0.004 (3)	0.012 (2)	0.004 (3)
N8	0.057 (3)	0.044 (2)	0.040 (2)	0.003 (2)	0.000 (2)	−0.009 (2)
N9	0.068 (3)	0.053 (3)	0.049 (3)	0.011 (3)	0.025 (2)	0.015 (2)
C1	0.040 (3)	0.030 (2)	0.045 (3)	−0.005 (2)	0.028 (2)	−0.009 (2)
C2	0.033 (2)	0.030 (2)	0.039 (2)	−0.009 (2)	0.012 (2)	−0.008 (2)
C3	0.025 (2)	0.043 (3)	0.041 (2)	−0.001 (2)	0.007 (2)	−0.005 (2)
C4	0.036 (3)	0.033 (2)	0.036 (2)	−0.002 (2)	0.015 (2)	0.005 (2)
C5	0.033 (2)	0.028 (2)	0.033 (2)	0.001 (2)	0.012 (2)	0.002 (2)
C6	0.030 (2)	0.030 (2)	0.051 (3)	−0.002 (2)	0.026 (2)	0.000 (2)
C7	0.047 (3)	0.029 (2)	0.058 (3)	−0.009 (2)	0.028 (2)	−0.005 (2)
C8	0.069 (4)	0.042 (3)	0.069 (4)	−0.008 (3)	0.043 (3)	−0.003 (3)
C9	0.058 (4)	0.030 (2)	0.075 (4)	0.004 (2)	0.037 (3)	0.014 (3)
C10	0.050 (3)	0.046 (3)	0.061 (3)	0.015 (2)	0.029 (3)	0.019 (3)
C11	0.033 (2)	0.029 (2)	0.039 (2)	0.005 (2)	0.019 (2)	0.003 (2)
C12	0.039 (3)	0.031 (2)	0.035 (2)	0.002 (2)	0.013 (2)	0.005 (2)
C13	0.036 (3)	0.035 (2)	0.041 (2)	−0.004 (2)	0.014 (2)	0.011 (2)
C14	0.044 (3)	0.031 (2)	0.037 (3)	−0.004 (2)	0.011 (2)	0.002 (2)
C15	0.037 (3)	0.037 (2)	0.040 (2)	−0.001 (2)	0.011 (2)	0.007 (2)
C16	0.032 (2)	0.034 (2)	0.037 (2)	−0.001 (2)	0.014 (2)	−0.009 (2)
C17	0.043 (3)	0.041 (2)	0.035 (2)	−0.007 (2)	0.017 (2)	−0.005 (2)
C18	0.038 (3)	0.058 (3)	0.045 (3)	−0.009 (2)	0.018 (2)	−0.016 (2)
C19	0.036 (3)	0.055 (3)	0.020 (2)	0.002 (2)	−0.000 (2)	−0.004 (2)
C20	0.040 (3)	0.051 (3)	0.031 (2)	0.006 (2)	0.009 (2)	0.004 (2)
C21	0.043 (3)	0.046 (3)	0.045 (3)	−0.010 (2)	0.018 (2)	−0.005 (2)
C22	0.044 (3)	0.057 (3)	0.047 (3)	0.002 (3)	0.012 (3)	−0.004 (2)
C23	0.037 (2)	0.029 (2)	0.037 (2)	0.002 (2)	0.013 (2)	0.002 (2)
C24	0.034 (2)	0.030 (2)	0.039 (2)	0.002 (2)	0.021 (2)	0.004 (2)
C25	0.036 (3)	0.032 (2)	0.031 (2)	−0.010 (2)	0.007 (2)	0.005 (2)
C26	0.035 (3)	0.037 (2)	0.034 (2)	0.002 (2)	0.007 (2)	0.000 (2)
C27	0.033 (2)	0.032 (2)	0.030 (2)	0.004 (2)	0.014 (2)	0.011 (2)
C28	0.031 (2)	0.029 (2)	0.035 (2)	0.003 (2)	0.005 (2)	0.004 (2)
C29	0.037 (3)	0.037 (2)	0.032 (2)	0.005 (2)	0.016 (2)	0.010 (2)
C30	0.043 (3)	0.041 (2)	0.045 (3)	0.006 (2)	0.025 (2)	0.008 (2)
C31	0.032 (3)	0.038 (2)	0.047 (3)	−0.002 (2)	0.013 (2)	0.001 (2)
C32	0.033 (2)	0.029 (2)	0.041 (2)	−0.006 (2)	0.011 (2)	−0.002 (2)
C33	0.030 (2)	0.024 (2)	0.039 (2)	−0.001 (2)	0.011 (2)	−0.003 (2)
C34	0.037 (3)	0.036 (2)	0.047 (2)	−0.003 (2)	0.018 (2)	0.003 (2)
C35	0.037 (3)	0.029 (2)	0.061 (3)	−0.001 (2)	0.023 (2)	0.002 (2)
C36	0.046 (3)	0.035 (2)	0.050 (3)	−0.003 (2)	0.026 (3)	−0.004 (2)
C37	0.049 (3)	0.026 (2)	0.044 (3)	−0.007 (2)	0.019 (2)	−0.004 (2)
C38	0.034 (2)	0.035 (2)	0.028 (2)	−0.004 (2)	0.010 (2)	0.004 (2)
C39	0.048 (3)	0.043 (3)	0.034 (2)	0.004 (2)	0.009 (2)	0.002 (2)
C40	0.061 (4)	0.037 (3)	0.046 (3)	0.001 (2)	0.019 (3)	−0.002 (2)
C41	0.048 (3)	0.034 (2)	0.026 (2)	−0.008 (2)	0.005 (2)	0.001 (2)
C42	0.050 (3)	0.041 (3)	0.031 (2)	0.004 (2)	0.011 (2)	−0.001 (2)
C43	0.037 (3)	0.048 (3)	0.042 (3)	−0.003 (2)	0.011 (2)	−0.011 (2)
C44	0.049 (3)	0.042 (3)	0.038 (3)	0.004 (2)	0.017 (2)	0.002 (2)
C45	0.070 (4)	0.075 (4)	0.042 (3)	−0.002 (3)	0.021 (3)	0.003 (3)
B1	0.047 (3)	0.048 (3)	0.038 (3)	−0.019 (3)	0.023 (2)	−0.006 (2)
B2	0.032 (3)	0.059 (4)	0.039 (3)	0.006 (3)	0.007 (2)	−0.015 (3)

Geometric parameters (Å, º)

Co1—N1	2.132 (4)	C18—C19	1.408 (9)
Co1—N2	2.007 (4)	C19—C20	1.385 (8)
Co1—N3	2.146 (4)	C19—C22	1.442 (7)
Co1—N4	2.147 (5)	C20—C21	1.378 (7)
Co1—N5	2.028 (4)	C23—C24	1.385 (6)
Co1—N6	2.133 (4)	C23—C28	1.488 (7)
F1—B1	1.420 (8)	C24—C25	1.406 (7)
F2—B1	1.385 (7)	C25—C26	1.388 (8)
F3—B1	1.326 (10)	C25—C38	1.495 (6)
F4—B1	1.375 (8)	C26—C27	1.373 (6)
F5—F10	1.15 (4)	C27—C33	1.494 (8)
F5—F11	1.37 (3)	C28—C29	1.396 (8)
F5—B2	1.317 (15)	C29—C30	1.397 (7)
F6—F9	1.33 (3)	C30—C31	1.362 (7)
F6—F10	1.17 (4)	C31—C32	1.385 (9)
F6—B2	1.350 (17)	C33—C34	1.389 (7)
F7—F9	1.06 (3)	C34—C35	1.380 (9)
F7—F11	1.20 (4)	C35—C36	1.384 (7)
F7—B2	1.25 (2)	C36—C37	1.390 (9)
F8—B2	1.385 (7)	C38—C39	1.391 (8)
F9—B2	1.310 (12)	C38—C43	1.374 (7)
F10—B2	1.23 (3)	C39—C40	1.384 (7)
F11—B2	1.303 (19)	C40—C41	1.378 (7)
O1—N9	1.204 (8)	C41—C42	1.394 (8)
O2—N9	1.235 (8)	C41—C44	1.467 (7)
N1—C6	1.384 (6)	C42—C43	1.381 (7)
N1—C10	1.328 (7)	C2—H2	0.950
N2—C1	1.343 (6)	C4—H4	0.950
N2—C5	1.378 (6)	C7—H7	0.950
N3—C11	1.355 (5)	C8—H8	0.950
N3—C15	1.347 (6)	C9—H9	0.950
N4—C28	1.334 (6)	C10—H10	0.950
N4—C32	1.344 (6)	C12—H12	0.950
N5—C23	1.350 (8)	C13—H13	0.950
N5—C27	1.332 (7)	C14—H14	0.950
N6—C33	1.372 (5)	C15—H15	0.950
N6—C37	1.324 (8)	C17—H17	0.950
N7—C22	1.134 (7)	C18—H18	0.950
N8—C44	1.125 (6)	C20—H20	0.950
N9—C45	1.474 (8)	C21—H21	0.950
C1—C2	1.370 (6)	C24—H24	0.950
C1—C6	1.484 (7)	C26—H26	0.950
C2—C3	1.396 (8)	C29—H29	0.950
C3—C4	1.379 (7)	C30—H30	0.950
C3—C16	1.507 (6)	C31—H31	0.950
C4—C5	1.374 (6)	C32—H32	0.950
C5—C11	1.467 (6)	C34—H34	0.950
C6—C7	1.376 (7)	C35—H35	0.950
C7—C8	1.372 (8)	C36—H36	0.950
C8—C9	1.367 (8)	C37—H37	0.950
C9—C10	1.380 (8)	C39—H39	0.950
C11—C12	1.406 (7)	C40—H40	0.950
C12—C13	1.365 (6)	C42—H42	0.950
C13—C14	1.373 (6)	C43—H43	0.950
C14—C15	1.397 (7)	C45—H45A	0.980
C16—C17	1.401 (8)	C45—H45B	0.980
C16—C21	1.412 (8)	C45—H45C	0.980
C17—C18	1.374 (6)
N1—Co1—N2	76.41 (17)	N6—C33—C27	114.2 (4)
N1—Co1—N3	152.98 (16)	N6—C33—C34	122.1 (5)
N1—Co1—N4	95.49 (19)	C27—C33—C34	123.7 (4)
N1—Co1—N5	111.88 (17)	C33—C34—C35	118.5 (4)
N1—Co1—N6	91.12 (18)	C34—C35—C36	119.9 (5)
N2—Co1—N3	77.31 (16)	C35—C36—C37	118.1 (6)
N2—Co1—N4	95.9 (2)	N6—C37—C36	123.6 (4)
N2—Co1—N5	169.48 (18)	C25—C38—C39	119.1 (4)
N2—Co1—N6	109.9 (2)	C25—C38—C43	120.7 (4)
N3—Co1—N4	93.34 (17)	C39—C38—C43	120.2 (4)
N3—Co1—N5	94.96 (16)	C38—C39—C40	119.3 (5)
N3—Co1—N6	91.93 (17)	C39—C40—C41	119.7 (5)
N4—Co1—N5	77.21 (18)	C40—C41—C42	121.2 (4)
N4—Co1—N6	154.20 (15)	C40—C41—C44	118.2 (5)
N5—Co1—N6	77.19 (19)	C42—C41—C44	120.6 (4)
F10—F5—F11	115 (2)	C41—C42—C43	118.4 (4)
F10—F5—B2	59.3 (17)	C38—C43—C42	120.9 (5)
F11—F5—B2	58.1 (12)	N8—C44—C41	177.1 (6)
F9—F6—F10	110 (2)	F1—B1—F2	106.2 (5)
F9—F6—B2	58.4 (10)	F1—B1—F3	112.6 (5)
F10—F6—B2	57.8 (17)	F1—B1—F4	109.3 (6)
F9—F7—F11	126 (2)	F2—B1—F3	111.3 (7)
F9—F7—B2	68.4 (15)	F2—B1—F4	103.6 (5)
F11—F7—B2	64.2 (16)	F3—B1—F4	113.2 (5)
F6—F9—F7	122 (2)	F5—B2—F6	103.8 (13)
F6—F9—B2	61.4 (12)	F5—B2—F7	113.1 (14)
F7—F9—B2	62.6 (16)	F5—B2—F8	114.7 (6)
F5—F10—F6	130 (3)	F5—B2—F9	132.2 (9)
F5—F10—B2	67.2 (18)	F5—B2—F10	53.5 (19)
F6—F10—B2	69 (2)	F5—B2—F11	62.9 (17)
F5—F11—F7	113.2 (18)	F6—B2—F7	108.2 (14)
F5—F11—B2	59.1 (11)	F6—B2—F8	108.0 (7)
F7—F11—B2	59.8 (15)	F6—B2—F9	60.2 (16)
Co1—N1—C6	115.1 (3)	F6—B2—F10	53.6 (19)
Co1—N1—C10	128.0 (3)	F6—B2—F11	142.6 (10)
C6—N1—C10	116.9 (4)	F7—B2—F8	108.7 (8)
Co1—N2—C1	121.1 (3)	F7—B2—F9	49.1 (17)
Co1—N2—C5	118.9 (3)	F7—B2—F10	140.3 (14)
C1—N2—C5	119.2 (4)	F7—B2—F11	55.9 (19)
Co1—N3—C11	114.4 (3)	F8—B2—F9	113.1 (9)
Co1—N3—C15	127.0 (3)	F8—B2—F10	110.6 (12)
C11—N3—C15	118.5 (4)	F8—B2—F11	109.3 (8)
Co1—N4—C28	114.5 (3)	F9—B2—F10	108.2 (19)
Co1—N4—C32	127.0 (3)	F9—B2—F11	101 (2)
C28—N4—C32	118.5 (5)	F10—B2—F11	114.1 (19)
Co1—N5—C23	117.7 (3)	C1—C2—H2	120.6
Co1—N5—C27	119.4 (4)	C3—C2—H2	120.6
C23—N5—C27	120.4 (4)	C3—C4—H4	120.0
Co1—N6—C33	114.4 (3)	C5—C4—H4	120.0
Co1—N6—C37	127.8 (3)	C6—C7—H7	120.6
C33—N6—C37	117.8 (4)	C8—C7—H7	120.6
O1—N9—O2	124.2 (5)	C7—C8—H8	119.8
O1—N9—C45	118.0 (6)	C9—C8—H8	119.8
O2—N9—C45	117.7 (5)	C8—C9—H9	121.0
N2—C1—C2	122.4 (4)	C10—C9—H9	121.0
N2—C1—C6	112.9 (4)	N1—C10—H10	118.0
C2—C1—C6	124.8 (4)	C9—C10—H10	118.0
C1—C2—C3	118.8 (4)	C11—C12—H12	120.1
C2—C3—C4	119.2 (4)	C13—C12—H12	120.1
C2—C3—C16	121.5 (4)	C12—C13—H13	120.2
C4—C3—C16	119.3 (4)	C14—C13—H13	120.1
C3—C4—C5	120.0 (4)	C13—C14—H14	120.7
N2—C5—C4	120.4 (4)	C15—C14—H14	120.7
N2—C5—C11	113.6 (3)	N3—C15—H15	118.8
C4—C5—C11	126.0 (4)	C14—C15—H15	118.8
N1—C6—C1	113.5 (4)	C16—C17—H17	119.8
N1—C6—C7	121.7 (4)	C18—C17—H17	119.8
C1—C6—C7	124.8 (4)	C17—C18—H18	120.1
C6—C7—C8	118.9 (5)	C19—C18—H18	120.1
C7—C8—C9	120.5 (5)	C19—C20—H20	119.7
C8—C9—C10	117.9 (5)	C21—C20—H20	119.7
N1—C10—C9	124.1 (5)	C16—C21—H21	120.2
N3—C11—C5	115.2 (4)	C20—C21—H21	120.2
N3—C11—C12	120.8 (4)	C23—C24—H24	120.8
C5—C11—C12	124.0 (4)	C25—C24—H24	120.8
C11—C12—C13	119.8 (4)	C25—C26—H26	120.1
C12—C13—C14	119.7 (5)	C27—C26—H26	120.1
C13—C14—C15	118.6 (4)	C28—C29—H29	121.1
N3—C15—C14	122.4 (4)	C30—C29—H29	121.1
C3—C16—C17	119.9 (5)	C29—C30—H30	120.3
C3—C16—C21	120.5 (4)	C31—C30—H30	120.3
C17—C16—C21	119.5 (4)	C30—C31—H31	120.4
C16—C17—C18	120.4 (5)	C32—C31—H31	120.4
C17—C18—C19	119.7 (5)	N4—C32—H32	118.9
C18—C19—C20	120.1 (4)	C31—C32—H32	118.9
C18—C19—C22	119.8 (5)	C33—C34—H34	120.8
C20—C19—C22	120.1 (5)	C35—C34—H34	120.8
C19—C20—C21	120.6 (5)	C34—C35—H35	120.0
C16—C21—C20	119.5 (5)	C36—C35—H35	120.0
N7—C22—C19	177.2 (7)	C35—C36—H36	121.0
N5—C23—C24	121.3 (5)	C37—C36—H36	120.9
N5—C23—C28	114.1 (4)	N6—C37—H37	118.2
C24—C23—C28	124.6 (5)	C36—C37—H37	118.2
C23—C24—C25	118.4 (5)	C38—C39—H39	120.3
C24—C25—C26	118.6 (4)	C40—C39—H39	120.3
C24—C25—C38	120.5 (5)	C39—C40—H40	120.1
C26—C25—C38	120.7 (5)	C41—C40—H40	120.1
C25—C26—C27	119.8 (5)	C41—C42—H42	120.8
N5—C27—C26	121.3 (5)	C43—C42—H42	120.8
N5—C27—C33	113.8 (4)	C38—C43—H43	119.5
C26—C27—C33	124.8 (5)	C42—C43—H43	119.5
N4—C28—C23	114.9 (5)	N9—C45—H45A	109.5
N4—C28—C29	122.6 (4)	N9—C45—H45B	109.5
C23—C28—C29	122.5 (4)	N9—C45—H45C	109.5
C28—C29—C30	117.9 (4)	H45A—C45—H45B	109.5
C29—C30—C31	119.5 (6)	H45A—C45—H45C	109.5
C30—C31—C32	119.3 (5)	H45B—C45—H45C	109.5
N4—C32—C31	122.2 (4)
N1—Co1—N2—C1	−9.5 (5)	F5—F11—B2—F7	−151.5 (12)
N1—Co1—N2—C5	−179.0 (5)	F5—F11—B2—F8	108.5 (8)
N2—Co1—N1—C6	5.0 (4)	F5—F11—B2—F9	−131.9 (11)
N2—Co1—N1—C10	−174.7 (6)	F5—F11—B2—F10	−15.9 (18)
N1—Co1—N3—C11	−18.5 (6)	F7—F11—B2—F5	151.5 (12)
N1—Co1—N3—C15	164.1 (4)	F7—F11—B2—F6	75 (2)
N3—Co1—N1—C6	18.7 (7)	F7—F11—B2—F8	−100.0 (12)
N3—Co1—N1—C10	−161.0 (5)	F7—F11—B2—F9	19.6 (12)
N1—Co1—N4—C28	−116.9 (3)	F7—F11—B2—F10	135.6 (18)
N1—Co1—N4—C32	63.1 (4)	Co1—N1—C6—C1	−0.6 (6)
N4—Co1—N1—C6	−89.8 (4)	Co1—N1—C6—C7	−180.0 (4)
N4—Co1—N1—C10	90.5 (6)	Co1—N1—C10—C9	179.6 (6)
N1—Co1—N5—C23	102.2 (4)	C6—N1—C10—C9	−0.0 (9)
N1—Co1—N5—C27	−95.3 (4)	C10—N1—C6—C1	179.1 (6)
N5—Co1—N1—C6	−168.2 (4)	C10—N1—C6—C7	−0.3 (8)
N5—Co1—N1—C10	12.1 (6)	Co1—N2—C1—C2	−168.0 (5)
N1—Co1—N6—C33	117.0 (3)	Co1—N2—C1—C6	11.8 (7)
N1—Co1—N6—C37	−65.2 (4)	Co1—N2—C5—C4	169.6 (4)
N6—Co1—N1—C6	115.1 (4)	Co1—N2—C5—C11	−8.4 (7)
N6—Co1—N1—C10	−64.5 (6)	C1—N2—C5—C4	−0.1 (7)
N2—Co1—N3—C11	−4.9 (4)	C1—N2—C5—C11	−178.2 (5)
N2—Co1—N3—C15	177.8 (5)	C5—N2—C1—C2	1.6 (10)
N3—Co1—N2—C1	176.9 (5)	C5—N2—C1—C6	−178.7 (5)
N3—Co1—N2—C5	7.3 (4)	Co1—N3—C11—C5	2.0 (6)
N2—Co1—N4—C28	166.3 (3)	Co1—N3—C11—C12	−175.4 (4)
N2—Co1—N4—C32	−13.8 (4)	Co1—N3—C15—C14	172.8 (4)
N4—Co1—N2—C1	84.8 (5)	C11—N3—C15—C14	−4.5 (9)
N4—Co1—N2—C5	−84.8 (5)	C15—N3—C11—C5	179.6 (5)
N2—Co1—N5—C23	−38.7 (15)	C15—N3—C11—C12	2.2 (8)
N2—Co1—N5—C27	123.8 (12)	Co1—N4—C28—C23	−0.2 (5)
N5—Co1—N2—C1	133.5 (11)	Co1—N4—C28—C29	177.9 (3)
N5—Co1—N2—C5	−36.1 (16)	Co1—N4—C32—C31	−176.6 (3)
N2—Co1—N6—C33	−167.1 (3)	C28—N4—C32—C31	3.4 (7)
N2—Co1—N6—C37	10.7 (5)	C32—N4—C28—C23	179.9 (3)
N6—Co1—N2—C1	−95.7 (5)	C32—N4—C28—C29	−2.1 (7)
N6—Co1—N2—C5	94.7 (4)	Co1—N5—C23—C24	162.6 (4)
N3—Co1—N4—C28	88.7 (3)	Co1—N5—C23—C28	−14.9 (6)
N3—Co1—N4—C32	−91.4 (4)	Co1—N5—C27—C26	−164.6 (4)
N4—Co1—N3—C11	90.5 (4)	Co1—N5—C27—C33	11.7 (5)
N4—Co1—N3—C15	−86.9 (4)	C23—N5—C27—C26	−2.6 (8)
N3—Co1—N5—C23	−81.0 (4)	C23—N5—C27—C33	173.7 (4)
N3—Co1—N5—C27	81.6 (3)	C27—N5—C23—C24	0.3 (6)
N5—Co1—N3—C11	167.9 (4)	C27—N5—C23—C28	−177.2 (4)
N5—Co1—N3—C15	−9.5 (5)	Co1—N6—C33—C27	−0.5 (5)
N3—Co1—N6—C33	−89.9 (3)	Co1—N6—C33—C34	177.7 (4)
N3—Co1—N6—C37	87.9 (4)	Co1—N6—C37—C36	−175.7 (4)
N6—Co1—N3—C11	−114.8 (4)	C33—N6—C37—C36	2.0 (7)
N6—Co1—N3—C15	67.8 (5)	C37—N6—C33—C27	−178.5 (4)
N4—Co1—N5—C23	11.4 (3)	C37—N6—C33—C34	−0.3 (6)
N4—Co1—N5—C27	173.9 (4)	N2—C1—C2—C3	−0.7 (10)
N5—Co1—N4—C28	−5.7 (3)	N2—C1—C6—N1	−6.6 (8)
N5—Co1—N4—C32	174.3 (4)	N2—C1—C6—C7	172.7 (6)
N4—Co1—N6—C33	11.9 (6)	C2—C1—C6—N1	173.2 (6)
N4—Co1—N6—C37	−170.3 (4)	C2—C1—C6—C7	−7.5 (10)
N6—Co1—N4—C28	−12.8 (5)	C6—C1—C2—C3	179.6 (6)
N6—Co1—N4—C32	167.2 (4)	C1—C2—C3—C4	−1.6 (9)
N5—Co1—N6—C33	4.8 (3)	C1—C2—C3—C16	176.9 (6)
N5—Co1—N6—C37	−177.4 (4)	C2—C3—C4—C5	3.0 (9)
N6—Co1—N5—C23	−171.8 (4)	C2—C3—C16—C17	−29.2 (9)
N6—Co1—N5—C27	−9.3 (3)	C2—C3—C16—C21	151.6 (6)
F10—F5—F11—F7	−10 (2)	C4—C3—C16—C17	149.3 (6)
F10—F5—F11—B2	17.1 (15)	C4—C3—C16—C21	−29.9 (8)
F11—F5—F10—F6	12 (2)	C16—C3—C4—C5	−175.5 (5)
F11—F5—F10—B2	−16.9 (15)	C3—C4—C5—N2	−2.2 (9)
F10—F5—B2—F6	−19.5 (17)	C3—C4—C5—C11	175.7 (6)
F10—F5—B2—F7	−136.4 (18)	N2—C5—C11—N3	3.8 (7)
F10—F5—B2—F8	98.1 (16)	N2—C5—C11—C12	−178.9 (5)
F10—F5—B2—F9	−82 (2)	C4—C5—C11—N3	−174.1 (5)
F10—F5—B2—F11	−161.9 (18)	C4—C5—C11—C12	3.1 (10)
B2—F5—F10—F6	29.3 (18)	N1—C6—C7—C8	0.0 (10)
F11—F5—B2—F6	142.5 (13)	C1—C6—C7—C8	−179.2 (6)
F11—F5—B2—F7	25.5 (14)	C6—C7—C8—C9	0.6 (11)
F11—F5—B2—F8	−99.9 (12)	C7—C8—C9—C10	−0.8 (12)
F11—F5—B2—F9	80 (2)	C8—C9—C10—N1	0.6 (12)
F11—F5—B2—F10	161.9 (18)	N3—C11—C12—C13	0.6 (9)
B2—F5—F11—F7	−26.7 (11)	C5—C11—C12—C13	−176.5 (5)
F9—F6—F10—F5	−2 (2)	C11—C12—C13—C14	−1.3 (9)
F9—F6—F10—B2	26.6 (13)	C12—C13—C14—C15	−0.8 (9)
F10—F6—F9—F7	−12 (2)	C13—C14—C15—N3	3.8 (10)
F10—F6—F9—B2	−26.4 (13)	C3—C16—C17—C18	−176.5 (5)
F9—F6—B2—F5	−131.1 (12)	C3—C16—C21—C20	174.9 (5)
F9—F6—B2—F7	−10.7 (13)	C17—C16—C21—C20	−4.3 (9)
F9—F6—B2—F8	106.8 (11)	C21—C16—C17—C18	2.7 (9)
F9—F6—B2—F10	−150.5 (17)	C16—C17—C18—C19	0.4 (9)
F9—F6—B2—F11	−68 (3)	C17—C18—C19—C20	−2.0 (9)
B2—F6—F9—F7	14.3 (14)	C17—C18—C19—C22	177.6 (6)
F10—F6—B2—F5	19.4 (16)	C18—C19—C20—C21	0.3 (9)
F10—F6—B2—F7	139.8 (17)	C22—C19—C20—C21	−179.2 (6)
F10—F6—B2—F8	−102.7 (15)	C19—C20—C21—C16	2.8 (9)
F10—F6—B2—F9	150.5 (17)	N5—C23—C24—C25	1.0 (8)
F10—F6—B2—F11	83 (3)	N5—C23—C28—N4	9.5 (6)
B2—F6—F10—F5	−29.0 (18)	N5—C23—C28—C29	−168.6 (4)
F9—F7—F11—F5	−4 (2)	C24—C23—C28—N4	−167.9 (5)
F9—F7—F11—B2	−30.2 (18)	C24—C23—C28—C29	14.0 (8)
F11—F7—F9—F6	15 (2)	C28—C23—C24—C25	178.2 (5)
F11—F7—F9—B2	29.1 (18)	C23—C24—C25—C26	0.1 (6)
F9—F7—B2—F5	126.7 (14)	C23—C24—C25—C38	−174.8 (5)
F9—F7—B2—F6	12.3 (14)	C24—C25—C26—C27	−2.3 (8)
F9—F7—B2—F8	−104.7 (12)	C24—C25—C38—C39	36.5 (8)
F9—F7—B2—F10	67 (3)	C24—C25—C38—C43	−140.9 (6)
F9—F7—B2—F11	154.2 (15)	C26—C25—C38—C39	−138.3 (6)
B2—F7—F9—F6	−14.1 (15)	C26—C25—C38—C43	44.3 (8)
F11—F7—B2—F5	−27.5 (12)	C38—C25—C26—C27	172.6 (5)
F11—F7—B2—F6	−141.9 (12)	C25—C26—C27—N5	3.6 (8)
F11—F7—B2—F8	101.0 (10)	C25—C26—C27—C33	−172.3 (5)
F11—F7—B2—F9	−154.2 (15)	N5—C27—C33—N6	−6.9 (6)
F11—F7—B2—F10	−88 (3)	N5—C27—C33—C34	174.9 (5)
B2—F7—F11—F5	26.5 (11)	C26—C27—C33—N6	169.3 (5)
F6—F9—B2—F5	81 (2)	C26—C27—C33—C34	−8.9 (8)
F6—F9—B2—F7	166.5 (15)	N4—C28—C29—C30	−0.1 (6)
F6—F9—B2—F8	−98.3 (9)	C23—C28—C29—C30	177.9 (4)
F6—F9—B2—F10	24.6 (16)	C28—C29—C30—C31	0.9 (8)
F6—F9—B2—F11	144.9 (11)	C29—C30—C31—C32	0.3 (6)
F7—F9—B2—F5	−85 (2)	C30—C31—C32—N4	−2.5 (8)
F7—F9—B2—F6	−166.5 (15)	N6—C33—C34—C35	−1.3 (8)
F7—F9—B2—F8	95.3 (14)	C27—C33—C34—C35	176.8 (4)
F7—F9—B2—F10	−141.8 (18)	C33—C34—C35—C36	1.2 (8)
F7—F9—B2—F11	−21.5 (14)	C34—C35—C36—C37	0.4 (8)
F5—F10—B2—F6	156.3 (18)	C35—C36—C37—N6	−2.1 (8)
F5—F10—B2—F7	83 (3)	C25—C38—C39—C40	176.8 (6)
F5—F10—B2—F8	−106.1 (11)	C25—C38—C43—C42	−178.9 (6)
F5—F10—B2—F9	129.6 (15)	C39—C38—C43—C42	3.8 (10)
F5—F10—B2—F11	18 (2)	C43—C38—C39—C40	−5.8 (10)
F6—F10—B2—F5	−156.3 (18)	C38—C39—C40—C41	4.0 (10)
F6—F10—B2—F7	−74 (3)	C39—C40—C41—C42	−0.3 (8)
F6—F10—B2—F8	97.7 (13)	C39—C40—C41—C44	−179.6 (6)
F6—F10—B2—F9	−26.7 (18)	C40—C41—C42—C43	−1.8 (10)
F6—F10—B2—F11	−138.7 (16)	C44—C41—C42—C43	177.5 (6)
F5—F11—B2—F6	−77 (2)	C41—C42—C43—C38	0.0 (10)

(II) bis[4'-(4-cyanophenyl)-2,2':6',2''-terpyridine]cobalt(III) tris(tetrafluoridoborate) nitromethane sesquisolvate

Crystal data

[Co(C22H14N4)2](BF4)3·1.5CH3NO2	F(000) = 4368.00
Mr = 1079.67	Dx = 1.572 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.7107 Å
Hall symbol: -C 2yc	Cell parameters from 6774 reflections
a = 37.80 (2) Å	θ = 3.1–27.5°
b = 10.748 (6) Å	µ = 0.48 mm^−1
c = 22.99 (1) Å	T = 110 K
β = 102.388 (9)°	Chip, orange
V = 9123 (8) Å^3	0.30 × 0.07 × 0.05 mm
Z = 8

Data collection

Rigaku Mercury diffractometer	7454 reflections with I > 2σ(I)
Detector resolution: 14.71 pixels mm^-1	Rint = 0.072
ω scans	θmax = 27.5°
Absorption correction: multi-scan (Jacobson, 1998)	h = −48→48
Tmin = 0.789, Tmax = 0.976	k = −13→13
35412 measured reflections	l = −29→29
10280 independent reflections

Refinement

Refinement on F^2	w = 1/[σ^2^(Fo^2^) + (0.1193P)^2^] whereP = (Fo^2^ + 2Fc^2^)/3
R[F^2 > 2σ(F^2)] = 0.096	(Δ/σ)max = −0.001
wR(F^2) = 0.238	Δρmax = 1.03 e Å^−3
S = 1.17	Δρmin = −0.62 e Å^−3
10280 reflections	Extinction correction: SHELXL97, Fc^*^=kFc[1+0.001xFc^2^λ^3^/sin(2θ)]^-1/4^
688 parameters	Extinction coefficient: 0.0000
H-atom parameters constrained

Special details

Refinement. Refinement was carried out using all reflections. The weighted R-factor (wR) and goodness of fit (S) are based on F^2^. R-factor (gt) are based on F. The threshold expression of F^2^ > 2.0 σ(F^2^) is used only for calculating R-factor (gt).

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Co1	0.64391 (2)	0.03735 (5)	0.55080 (3)	0.0247 (2)
F1	0.7397 (1)	0.3556 (4)	0.3515 (2)	0.073 (1)
F2	0.73854 (9)	0.5222 (3)	0.2913 (1)	0.0424 (7)
F3	0.6920 (1)	0.4848 (3)	0.3384 (2)	0.0562 (9)
F4	0.6998 (1)	0.3627 (4)	0.2637 (2)	0.079 (1)
F5	0.68683 (8)	0.6159 (3)	0.4994 (1)	0.0375 (7)
F6	0.68523 (8)	0.4351 (3)	0.5501 (1)	0.0378 (7)
F7	0.64203 (8)	0.4743 (3)	0.4664 (1)	0.0409 (7)
F8	0.64212 (8)	0.5840 (3)	0.5508 (1)	0.0399 (7)
F9	0.4895 (1)	0.1393 (4)	0.1995 (2)	0.063 (1)
F10	0.4717 (1)	0.2869 (4)	0.2581 (2)	0.063 (1)
F11	0.5016 (2)	0.003 (1)	0.4394 (4)	0.082 (3)	0.50
F12	0.5358 (2)	−0.0656 (8)	0.4979 (3)	0.057 (2)	0.50
F13	0.5044 (3)	−0.096 (1)	0.5319 (7)	0.116 (4)	0.50
F14	0.4764 (2)	−0.1008 (6)	0.4750 (3)	0.045 (2)	0.50
O1	0.6145 (1)	0.6320 (4)	0.2984 (2)	0.058 (1)
O2	0.6020 (1)	0.4827 (4)	0.2341 (2)	0.0474 (10)
O3	0.5256 (1)	0.6683 (5)	0.2819 (2)	0.073 (1)
N1	0.6195 (1)	−0.0584 (3)	0.6018 (2)	0.0268 (8)
N2	0.6810 (1)	−0.0758 (3)	0.5784 (2)	0.0256 (8)
N3	0.6787 (1)	0.1010 (3)	0.5068 (2)	0.0256 (8)
N4	0.6573 (1)	0.1621 (4)	0.6128 (2)	0.0266 (8)
N5	0.60793 (9)	0.1522 (3)	0.5205 (2)	0.0232 (7)
N6	0.6198 (1)	−0.0559 (3)	0.4821 (2)	0.0278 (8)
N7	0.8738 (2)	−0.6595 (5)	0.6880 (3)	0.061 (1)
N8	0.4410 (1)	0.7848 (5)	0.3378 (2)	0.050 (1)
N9	0.6033 (1)	0.5252 (4)	0.2836 (2)	0.039 (1)
N10	0.5000	0.7237 (8)	0.2500	0.057 (2)
C1	0.7116 (1)	−0.0695 (4)	0.5569 (2)	0.0253 (9)
C2	0.7393 (1)	−0.1530 (4)	0.5762 (2)	0.0265 (9)
C3	0.7360 (1)	−0.2414 (4)	0.6195 (2)	0.0257 (9)
C4	0.7034 (1)	−0.2468 (4)	0.6404 (2)	0.0281 (9)
C5	0.6761 (1)	−0.1620 (4)	0.6181 (2)	0.0265 (9)
C6	0.7099 (1)	0.0327 (4)	0.5140 (2)	0.0263 (9)
C7	0.7368 (1)	0.0599 (4)	0.4835 (2)	0.0294 (10)
C8	0.7320 (1)	0.1619 (4)	0.4456 (2)	0.0303 (10)
C9	0.7007 (1)	0.2320 (4)	0.4385 (2)	0.0295 (10)
C10	0.6747 (1)	0.1984 (4)	0.4699 (2)	0.0287 (9)
C11	0.6397 (1)	−0.1535 (4)	0.6317 (2)	0.0278 (9)
C12	0.6263 (1)	−0.2297 (4)	0.6702 (2)	0.034 (1)
C13	0.5910 (1)	−0.2097 (5)	0.6779 (2)	0.035 (1)
C14	0.5706 (1)	−0.1146 (5)	0.6480 (2)	0.035 (1)
C15	0.5857 (1)	−0.0399 (4)	0.6103 (2)	0.0301 (10)
C16	0.7660 (1)	−0.3299 (4)	0.6422 (2)	0.0268 (9)
C17	0.8018 (1)	−0.2948 (5)	0.6429 (2)	0.035 (1)
C18	0.8297 (1)	−0.3783 (5)	0.6603 (3)	0.039 (1)
C19	0.8224 (1)	−0.4989 (5)	0.6770 (2)	0.036 (1)
C20	0.7872 (1)	−0.5327 (4)	0.6799 (2)	0.035 (1)
C21	0.7589 (1)	−0.4476 (4)	0.6623 (2)	0.0306 (10)
C22	0.8515 (2)	−0.5896 (5)	0.6860 (3)	0.045 (1)
C23	0.6072 (1)	0.2604 (4)	0.5503 (2)	0.0258 (9)
C24	0.5825 (1)	0.3515 (4)	0.5254 (2)	0.0283 (9)
C25	0.5598 (1)	0.3340 (4)	0.4699 (2)	0.0271 (9)
C26	0.5623 (1)	0.2219 (4)	0.4396 (2)	0.0291 (10)
C27	0.5865 (1)	0.1324 (4)	0.4668 (2)	0.0281 (9)
C28	0.6349 (1)	0.2630 (4)	0.6054 (2)	0.0263 (9)
C29	0.6393 (1)	0.3581 (5)	0.6466 (2)	0.033 (1)
C30	0.6680 (1)	0.3508 (5)	0.6962 (2)	0.035 (1)
C31	0.6910 (1)	0.2501 (5)	0.7022 (2)	0.036 (1)
C32	0.6848 (1)	0.1555 (5)	0.6607 (2)	0.032 (1)
C33	0.5928 (1)	0.0077 (4)	0.4443 (2)	0.0285 (9)
C34	0.5733 (1)	−0.0453 (5)	0.3927 (2)	0.034 (1)
C35	0.5810 (2)	−0.1690 (5)	0.3804 (3)	0.042 (1)
C36	0.6075 (2)	−0.2326 (5)	0.4191 (2)	0.039 (1)
C37	0.6267 (1)	−0.1745 (4)	0.4694 (2)	0.032 (1)
C38	0.5338 (1)	0.4320 (4)	0.4428 (2)	0.0280 (9)
C39	0.5390 (1)	0.5558 (4)	0.4602 (2)	0.032 (1)
C40	0.5146 (2)	0.6472 (5)	0.4351 (3)	0.039 (1)
C41	0.4849 (1)	0.6144 (5)	0.3903 (2)	0.034 (1)
C42	0.4787 (2)	0.4911 (5)	0.3721 (3)	0.043 (1)
C43	0.5032 (1)	0.4008 (5)	0.3985 (3)	0.039 (1)
C44	0.4605 (1)	0.7106 (5)	0.3618 (3)	0.039 (1)
C45	0.5920 (2)	0.4489 (6)	0.3284 (3)	0.057 (2)
C46	0.5000	0.8609 (9)	0.2500	0.079 (3)
B1	0.7175 (2)	0.4309 (5)	0.3112 (3)	0.032 (1)
B2	0.6640 (1)	0.5270 (5)	0.5167 (3)	0.031 (1)
B3	0.5000	0.2117 (9)	0.2500	0.039 (2)
B4	0.5000	0.0000	0.5000	0.068 (3)
H2	0.7605	−0.1508	0.5602	0.0316*
H4	0.7002	−0.3073	0.6689	0.0335*
H7	0.7580	0.0103	0.4884	0.0351*
H8	0.7502	0.1838	0.4247	0.0365*
H9	0.6971	0.3017	0.4125	0.0352*
H10	0.6532	0.2465	0.4649	0.0348*
H12	0.6408	−0.2945	0.6911	0.0404*
H13	0.5812	−0.2623	0.7037	0.0417*
H14	0.5466	−0.0996	0.6531	0.0422*
H15	0.5718	0.0266	0.5900	0.0359*
H17	0.8069	−0.2130	0.6314	0.0427*
H18	0.8539	−0.3539	0.6608	0.0460*
H20	0.7824	−0.6130	0.6939	0.0417*
H21	0.7349	−0.4701	0.6639	0.0364*
H24	0.5812	0.4268	0.5467	0.0340*
H26	0.5475	0.2077	0.4012	0.0348*
H29	0.6231	0.4270	0.6415	0.0395*
H30	0.6717	0.4149	0.7254	0.0418*
H31	0.7112	0.2457	0.7350	0.0435*
H32	0.7001	0.0844	0.6661	0.0389*
H34	0.5553	0.0007	0.3662	0.0408*
H35	0.5677	−0.2089	0.3455	0.0508*
H36	0.6128	−0.3166	0.4112	0.0461*
H37	0.6452	−0.2191	0.4959	0.0378*
H39	0.5596	0.5781	0.4899	0.0382*
H40	0.5180	0.7311	0.4481	0.0470*
H42	0.4579	0.4693	0.3423	0.0506*
H43	0.4992	0.3163	0.3864	0.0467*
H45A	0.5946	0.4948	0.3643	0.0681*
H45B	0.5673	0.4259	0.3146	0.0681*
H45C	0.6065	0.3762	0.3352	0.0681*
H46A	0.5004	0.8903	0.2891	0.0937*	0.50
H46B	0.5208	0.8903	0.2373	0.0937*	0.50
H46C	0.4788	0.8903	0.2236	0.0937*	0.50

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.0235 (3)	0.0248 (3)	0.0269 (3)	0.0023 (2)	0.0076 (2)	0.0035 (3)
F1	0.041 (2)	0.089 (3)	0.096 (3)	0.019 (2)	0.029 (2)	0.062 (3)
F2	0.050 (2)	0.041 (2)	0.036 (2)	−0.009 (1)	0.009 (1)	0.007 (1)
F3	0.057 (2)	0.051 (2)	0.070 (2)	0.008 (2)	0.034 (2)	−0.001 (2)
F4	0.104 (3)	0.088 (3)	0.051 (2)	−0.052 (3)	0.031 (2)	−0.036 (2)
F5	0.033 (1)	0.032 (1)	0.050 (2)	0.000 (1)	0.013 (1)	0.007 (1)
F6	0.034 (2)	0.040 (2)	0.040 (2)	0.005 (1)	0.009 (1)	0.008 (1)
F7	0.043 (2)	0.037 (2)	0.040 (2)	−0.002 (1)	0.004 (1)	−0.003 (1)
F8	0.042 (2)	0.038 (2)	0.044 (2)	0.002 (1)	0.020 (1)	−0.004 (1)
F9	0.069 (2)	0.073 (2)	0.039 (2)	0.003 (2)	−0.003 (2)	−0.007 (2)
F10	0.040 (2)	0.086 (3)	0.068 (3)	0.010 (2)	0.023 (2)	−0.002 (2)
F11	0.038 (4)	0.126 (8)	0.075 (6)	0.019 (5)	0.000 (4)	−0.037 (6)
F12	0.032 (3)	0.091 (5)	0.047 (4)	−0.009 (3)	0.010 (3)	−0.016 (4)
F13	0.103 (9)	0.087 (8)	0.15 (1)	−0.015 (7)	0.010 (9)	0.027 (8)
F14	0.029 (3)	0.042 (3)	0.062 (4)	0.000 (3)	0.004 (3)	0.016 (3)
O1	0.070 (3)	0.043 (2)	0.062 (3)	−0.011 (2)	0.014 (2)	−0.017 (2)
O2	0.060 (3)	0.049 (2)	0.035 (2)	−0.015 (2)	0.015 (2)	−0.012 (2)
O3	0.055 (3)	0.088 (4)	0.065 (3)	0.006 (3)	−0.009 (2)	0.010 (3)
N1	0.027 (2)	0.029 (2)	0.025 (2)	0.001 (2)	0.007 (1)	0.001 (2)
N2	0.020 (2)	0.029 (2)	0.029 (2)	0.002 (1)	0.008 (1)	0.002 (2)
N3	0.026 (2)	0.025 (2)	0.025 (2)	0.000 (2)	0.004 (1)	0.000 (2)
N4	0.031 (2)	0.028 (2)	0.023 (2)	0.001 (2)	0.009 (2)	0.002 (2)
N5	0.019 (2)	0.025 (2)	0.025 (2)	0.000 (1)	0.004 (1)	0.003 (2)
N6	0.027 (2)	0.026 (2)	0.032 (2)	−0.001 (2)	0.010 (2)	0.002 (2)
N7	0.060 (3)	0.067 (4)	0.053 (3)	0.030 (3)	0.009 (3)	0.010 (3)
N8	0.049 (3)	0.046 (3)	0.052 (3)	0.018 (2)	0.007 (2)	0.006 (2)
N9	0.047 (3)	0.036 (2)	0.035 (2)	0.002 (2)	0.008 (2)	−0.007 (2)
N10	0.052 (4)	0.068 (5)	0.046 (4)	0.0000	−0.003 (3)	0.0000
C1	0.023 (2)	0.028 (2)	0.027 (2)	−0.001 (2)	0.009 (2)	−0.001 (2)
C2	0.024 (2)	0.026 (2)	0.031 (2)	0.002 (2)	0.011 (2)	−0.001 (2)
C3	0.026 (2)	0.022 (2)	0.029 (2)	0.000 (2)	0.007 (2)	0.000 (2)
C4	0.029 (2)	0.029 (2)	0.026 (2)	−0.002 (2)	0.007 (2)	0.002 (2)
C5	0.028 (2)	0.026 (2)	0.028 (2)	0.000 (2)	0.010 (2)	−0.001 (2)
C6	0.026 (2)	0.026 (2)	0.027 (2)	0.000 (2)	0.005 (2)	−0.001 (2)
C7	0.028 (2)	0.032 (2)	0.030 (2)	0.004 (2)	0.010 (2)	0.002 (2)
C8	0.031 (2)	0.032 (2)	0.029 (2)	−0.005 (2)	0.010 (2)	0.000 (2)
C9	0.031 (2)	0.027 (2)	0.030 (2)	−0.001 (2)	0.008 (2)	0.002 (2)
C10	0.029 (2)	0.024 (2)	0.033 (2)	0.002 (2)	0.006 (2)	−0.005 (2)
C11	0.023 (2)	0.032 (2)	0.029 (2)	0.001 (2)	0.008 (2)	0.004 (2)
C12	0.035 (3)	0.029 (2)	0.039 (3)	0.004 (2)	0.011 (2)	0.009 (2)
C13	0.031 (2)	0.041 (3)	0.034 (3)	−0.001 (2)	0.011 (2)	0.005 (2)
C14	0.029 (2)	0.039 (3)	0.040 (3)	0.000 (2)	0.013 (2)	0.008 (2)
C15	0.024 (2)	0.032 (2)	0.035 (2)	0.002 (2)	0.008 (2)	0.001 (2)
C16	0.026 (2)	0.027 (2)	0.028 (2)	0.004 (2)	0.006 (2)	0.000 (2)
C17	0.030 (2)	0.034 (2)	0.042 (3)	0.002 (2)	0.007 (2)	0.004 (2)
C18	0.027 (2)	0.044 (3)	0.044 (3)	0.004 (2)	0.008 (2)	0.005 (2)
C19	0.037 (3)	0.043 (3)	0.030 (2)	0.013 (2)	0.009 (2)	0.006 (2)
C20	0.042 (3)	0.029 (2)	0.034 (3)	0.004 (2)	0.009 (2)	0.002 (2)
C21	0.030 (2)	0.030 (2)	0.033 (2)	0.001 (2)	0.009 (2)	0.000 (2)
C22	0.048 (3)	0.046 (3)	0.040 (3)	0.014 (3)	0.006 (2)	0.016 (3)
C23	0.023 (2)	0.029 (2)	0.026 (2)	0.002 (2)	0.008 (2)	0.001 (2)
C24	0.030 (2)	0.026 (2)	0.030 (2)	0.003 (2)	0.008 (2)	0.001 (2)
C25	0.024 (2)	0.025 (2)	0.033 (2)	0.000 (2)	0.008 (2)	0.002 (2)
C26	0.023 (2)	0.031 (2)	0.034 (2)	0.000 (2)	0.007 (2)	0.001 (2)
C27	0.026 (2)	0.029 (2)	0.030 (2)	−0.001 (2)	0.010 (2)	0.000 (2)
C28	0.023 (2)	0.029 (2)	0.029 (2)	−0.001 (2)	0.010 (2)	0.004 (2)
C29	0.029 (2)	0.039 (3)	0.031 (2)	−0.001 (2)	0.007 (2)	−0.003 (2)
C30	0.036 (3)	0.039 (3)	0.031 (3)	0.002 (2)	0.008 (2)	−0.002 (2)
C31	0.031 (2)	0.045 (3)	0.030 (3)	−0.001 (2)	0.002 (2)	0.001 (2)
C32	0.029 (2)	0.039 (3)	0.029 (2)	0.006 (2)	0.006 (2)	0.008 (2)
C33	0.031 (2)	0.026 (2)	0.031 (2)	0.002 (2)	0.010 (2)	0.001 (2)
C34	0.039 (3)	0.034 (3)	0.028 (2)	0.009 (2)	0.004 (2)	0.001 (2)
C35	0.045 (3)	0.040 (3)	0.040 (3)	0.000 (2)	0.006 (2)	−0.011 (2)
C36	0.048 (3)	0.031 (2)	0.039 (3)	0.008 (2)	0.013 (2)	0.001 (2)
C37	0.036 (3)	0.026 (2)	0.035 (3)	0.005 (2)	0.013 (2)	0.003 (2)
C38	0.023 (2)	0.031 (2)	0.029 (2)	0.002 (2)	0.004 (2)	0.008 (2)
C39	0.031 (2)	0.027 (2)	0.038 (3)	0.004 (2)	0.004 (2)	0.002 (2)
C40	0.045 (3)	0.026 (2)	0.049 (3)	0.004 (2)	0.013 (2)	0.004 (2)
C41	0.035 (2)	0.033 (2)	0.036 (3)	0.012 (2)	0.012 (2)	0.007 (2)
C42	0.039 (3)	0.043 (3)	0.042 (3)	0.008 (2)	0.001 (2)	0.000 (2)
C43	0.038 (3)	0.031 (3)	0.045 (3)	0.006 (2)	0.000 (2)	−0.005 (2)
C44	0.036 (3)	0.035 (3)	0.045 (3)	0.009 (2)	0.009 (2)	0.004 (2)
C45	0.083 (5)	0.046 (3)	0.044 (3)	−0.012 (3)	0.017 (3)	−0.001 (3)
C46	0.106 (10)	0.045 (5)	0.077 (8)	0.0000	0.002 (7)	0.0000
B1	0.035 (3)	0.031 (3)	0.031 (3)	0.002 (2)	0.010 (2)	0.002 (2)
B2	0.028 (3)	0.026 (3)	0.039 (3)	0.003 (2)	0.010 (2)	0.005 (2)
B3	0.035 (4)	0.053 (5)	0.031 (4)	0.0000	0.016 (3)	0.0000
B4	0.061 (7)	0.074 (8)	0.055 (7)	−0.015 (6)	−0.020 (5)	0.022 (6)

Geometric parameters (Å, º)

Co1—N1	1.937 (4)	C13—C14	1.375 (7)
Co1—N2	1.860 (4)	C13—H13	0.951
Co1—N3	1.946 (4)	C14—C15	1.392 (8)
Co1—N4	1.944 (4)	C14—H14	0.951
Co1—N5	1.857 (3)	C15—H15	0.949
Co1—N6	1.927 (4)	C16—C17	1.400 (7)
F1—B1	1.371 (7)	C16—C21	1.393 (7)
F2—B1	1.401 (7)	C17—C18	1.376 (7)
F3—B1	1.383 (8)	C17—H17	0.950
F4—B1	1.365 (7)	C18—C19	1.396 (8)
F5—B2	1.401 (6)	C18—H18	0.949
F6—B2	1.394 (6)	C19—C20	1.398 (8)
F7—B2	1.391 (6)	C19—C22	1.449 (8)
F8—B2	1.396 (7)	C20—C21	1.397 (7)
F9—B3	1.384 (6)	C20—H20	0.951
F10—B3	1.385 (7)	C21—H21	0.950
F11—F13^i	1.25 (2)	C23—C24	1.388 (6)
F11—B4	1.409 (10)	C23—C28	1.462 (6)
F12—F13	1.59 (2)	C24—C25	1.390 (6)
F12—B4	1.536 (7)	C24—H24	0.951
F13—F14	1.49 (1)	C25—C26	1.405 (7)
F13—B4	1.26 (1)	C25—C38	1.485 (6)
F14—B4	1.442 (6)	C26—C27	1.382 (6)
O1—N9	1.244 (6)	C26—H26	0.951
O2—N9	1.217 (6)	C27—C33	1.474 (7)
O3—N10	1.233 (6)	C28—C29	1.378 (7)
N1—C11	1.370 (6)	C29—C30	1.397 (6)
N1—C15	1.345 (6)	C29—H29	0.952
N2—C1	1.355 (7)	C30—C31	1.378 (7)
N2—C5	1.342 (6)	C30—H30	0.951
N3—C6	1.369 (6)	C31—C32	1.380 (7)
N3—C10	1.335 (6)	C31—H31	0.951
N4—C28	1.365 (6)	C32—H32	0.951
N4—C32	1.342 (6)	C33—C34	1.377 (6)
N5—C23	1.353 (6)	C34—C35	1.402 (8)
N5—C27	1.340 (5)	C34—H34	0.950
N6—C33	1.372 (6)	C35—C36	1.372 (7)
N6—C37	1.346 (6)	C35—H35	0.951
N7—C22	1.122 (8)	C36—C37	1.376 (7)
N8—C44	1.145 (7)	C36—H36	0.950
N9—C45	1.451 (9)	C37—H37	0.952
N10—C46	1.47 (1)	C38—C39	1.390 (6)
C1—C2	1.379 (6)	C38—C43	1.408 (7)
C1—C6	1.469 (6)	C39—C40	1.385 (7)
C2—C3	1.400 (7)	C39—H39	0.950
C2—H2	0.950	C40—C41	1.395 (7)
C3—C4	1.416 (7)	C40—H40	0.951
C3—C16	1.488 (6)	C41—C42	1.395 (7)
C4—C5	1.389 (6)	C41—C44	1.446 (7)
C4—H4	0.950	C42—C43	1.388 (7)
C5—C11	1.476 (7)	C42—H42	0.952
C6—C7	1.385 (7)	C43—H43	0.952
C7—C8	1.387 (7)	C45—H45A	0.948
C7—H7	0.949	C45—H45B	0.951
C8—C9	1.381 (7)	C45—H45C	0.949
C8—H8	0.951	C46—H46A	0.950
C9—C10	1.387 (7)	C46—H46A^ii	0.950
C9—H9	0.949	C46—H46B	0.950
C10—H10	0.951	C46—H46B^ii	0.950
C11—C12	1.379 (7)	C46—H46C	0.950
C12—C13	1.399 (8)	C46—H46C^ii	0.950
C12—H12	0.951
F1···C32^iii	2.931 (7)	F14···C40^vii	3.291 (8)
F1···C31^iii	3.326 (7)	F14···N8^vii	3.383 (8)
F1···C1^iii	3.382 (6)	O1···C36^vi	3.195 (7)
F1···C6^iii	3.481 (6)	O1···C35^vi	3.280 (8)
F2···C3^iii	3.137 (5)	O1···C18^iii	3.392 (7)
F2···C2^iii	3.296 (6)	O1···C30^v	3.418 (8)
F2···C21^iv	3.318 (6)	O2···C29^v	3.190 (7)
F2···C30^v	3.354 (6)	O2···C13^iv	3.197 (6)
F2···C4^iii	3.411 (5)	O2···C12^iv	3.314 (7)
F2···C31^v	3.439 (6)	O2···C30^v	3.333 (7)
F2···C32^iii	3.449 (6)	O3···C35^vi	3.246 (7)
F2···C20^iv	3.457 (7)	N7···C13^viii	3.130 (7)
F3···C17^iii	3.362 (6)	N7···C12^viii	3.347 (8)
F3···C2^iii	3.415 (6)	N7···C45^ix	3.421 (9)
F4···C4^iv	3.126 (6)	N8···C15^x	3.236 (7)
F4···C12^iv	3.439 (6)	N8···C28^x	3.434 (8)
F4···C30^v	3.540 (7)	N8···C29^x	3.486 (8)
F5···C37^vi	3.169 (6)	N8···C23^x	3.489 (8)
F5···C3^vi	3.349 (5)	N8···C14^x	3.594 (7)
F5···C7^iii	3.401 (6)	C7···C9^iii	3.462 (6)
F5···C2^vi	3.423 (5)	C7···C8^iii	3.487 (7)
F5···C4^vi	3.492 (6)	C7···C21^ix	3.598 (7)
F5···C36^vi	3.560 (6)	C8···C20^ix	3.145 (7)
F6···C7^iii	3.202 (6)	C8···C8^iii	3.199 (9)
F6···C8^iii	3.280 (6)	C8···C21^ix	3.456 (7)
F6···C21^vi	3.595 (5)	C8···C9^iii	3.460 (6)
F7···C36^vi	3.492 (6)	C8···C19^ix	3.572 (7)
F8···C37^vi	3.179 (6)	C9···C22^ix	3.464 (7)
F8···C5^vi	3.263 (5)	C9···C20^ix	3.570 (7)
F8···C4^vi	3.296 (5)	C12···C22^xi	3.565 (8)
F8···C11^vi	3.392 (6)	C17···C31^viii	3.546 (8)
F8···C12^vi	3.551 (6)	C18···C36^ix	3.500 (8)
F9···C46^vii	3.20 (1)	C23···C44^x	3.597 (8)
F9···C14^iv	3.525 (7)	C24···C44^x	3.407 (8)
F12···C40^vii	3.429 (9)	C24···C41^x	3.536 (8)
F14···C44^vii	3.250 (9)	C37···B2^vii	3.578 (7)
N1—Co1—N2	82.4 (2)	N5—C27—C33	110.9 (4)
N1—Co1—N3	164.6 (2)	C26—C27—C33	128.0 (4)
N1—Co1—N4	90.4 (2)	N4—C28—C23	113.7 (4)
N1—Co1—N5	100.0 (2)	N4—C28—C29	121.6 (4)
N1—Co1—N6	90.9 (2)	C23—C28—C29	124.7 (4)
N2—Co1—N3	82.2 (2)	C28—C29—C30	118.5 (4)
N2—Co1—N4	98.2 (2)	C28—C29—H29	120.8
N2—Co1—N5	177.4 (2)	C30—C29—H29	120.7
N2—Co1—N6	97.4 (2)	C29—C30—C31	119.3 (5)
N3—Co1—N4	92.3 (2)	C29—C30—H30	120.4
N3—Co1—N5	95.3 (2)	C31—C30—H30	120.3
N3—Co1—N6	90.6 (2)	C30—C31—C32	119.9 (4)
N4—Co1—N5	82.6 (2)	C30—C31—H31	120.1
N4—Co1—N6	164.4 (2)	C32—C31—H31	120.0
N5—Co1—N6	81.9 (2)	N4—C32—C31	121.0 (4)
F13^i—F11—B4	56.0 (8)	N4—C32—H32	119.5
F13—F12—B4	47.3 (5)	C31—C32—H32	119.5
F11^i—F13—F12	109.6 (10)	N6—C33—C27	112.6 (4)
F11^i—F13—F14	108.5 (9)	N6—C33—C34	121.8 (4)
F11^i—F13—B4	68.5 (8)	C27—C33—C34	125.6 (4)
F12—F13—F14	92.3 (9)	C33—C34—C35	118.1 (4)
F12—F13—B4	64.1 (7)	C33—C34—H34	121.0
F14—F13—B4	62.5 (6)	C35—C34—H34	121.0
F13—F14—B4	50.6 (5)	C34—C35—C36	119.7 (5)
Co1—N1—C11	114.3 (3)	C34—C35—H35	120.3
Co1—N1—C15	126.8 (3)	C36—C35—H35	120.1
C11—N1—C15	118.9 (4)	C35—C36—C37	120.0 (5)
Co1—N2—C1	118.9 (3)	C35—C36—H36	120.2
Co1—N2—C5	118.7 (3)	C37—C36—H36	119.9
C1—N2—C5	122.4 (4)	N6—C37—C36	121.3 (4)
Co1—N3—C6	114.2 (3)	N6—C37—H37	119.3
Co1—N3—C10	127.6 (3)	C36—C37—H37	119.4
C6—N3—C10	118.2 (4)	C25—C38—C39	121.2 (4)
Co1—N4—C28	113.6 (3)	C25—C38—C43	120.2 (4)
Co1—N4—C32	126.8 (3)	C39—C38—C43	118.6 (4)
C28—N4—C32	119.6 (4)	C38—C39—C40	121.3 (4)
Co1—N5—C23	118.3 (3)	C38—C39—H39	119.4
Co1—N5—C27	119.2 (3)	C40—C39—H39	119.3
C23—N5—C27	121.9 (4)	C39—C40—C41	119.0 (4)
Co1—N6—C33	114.6 (3)	C39—C40—H40	120.6
Co1—N6—C37	126.2 (3)	C41—C40—H40	120.4
C33—N6—C37	119.2 (4)	C40—C41—C42	121.3 (5)
O1—N9—O2	123.0 (5)	C40—C41—C44	119.2 (4)
O1—N9—C45	117.5 (5)	C42—C41—C44	119.6 (4)
O2—N9—C45	119.5 (5)	C41—C42—C43	118.6 (5)
O3—N10—O3^ii	122.3 (8)	C41—C42—H42	120.7
O3—N10—C46	118.9 (4)	C43—C42—H42	120.7
O3^ii—N10—C46	118.9 (4)	C38—C43—C42	121.2 (5)
N2—C1—C2	120.0 (4)	C38—C43—H43	119.4
N2—C1—C6	111.3 (4)	C42—C43—H43	119.4
C2—C1—C6	128.7 (5)	N8—C44—C41	178.0 (6)
C1—C2—C3	119.5 (5)	N9—C45—H45A	109.4
C1—C2—H2	120.2	N9—C45—H45B	109.3
C3—C2—H2	120.3	N9—C45—H45C	109.4
C2—C3—C4	119.1 (4)	H45A—C45—H45B	109.5
C2—C3—C16	120.3 (4)	H45A—C45—H45C	109.7
C4—C3—C16	120.6 (4)	H45B—C45—H45C	109.5
C3—C4—C5	118.7 (4)	N10—C46—H46A	109.4
C3—C4—H4	120.7	N10—C46—H46A^ii	109.4
C5—C4—H4	120.6	N10—C46—H46B	109.4
N2—C5—C4	120.3 (4)	N10—C46—H46B^ii	109.4
N2—C5—C11	111.8 (4)	N10—C46—H46C	109.4
C4—C5—C11	128.0 (4)	N10—C46—H46C^ii	109.4
N3—C6—C1	113.2 (4)	H46A—C46—H46A^ii	141.2
N3—C6—C7	122.3 (4)	H46A—C46—H46B	109.5
C1—C6—C7	124.5 (4)	H46A—C46—H46B^ii	56.3
C6—C7—C8	118.1 (4)	H46A—C46—H46C	109.5
C6—C7—H7	120.9	H46A—C46—H46C^ii	56.3
C8—C7—H7	120.9	H46A^ii—C46—H46B	56.3
C7—C8—C9	120.0 (5)	H46A^ii—C46—H46B^ii	109.5
C7—C8—H8	120.1	H46A^ii—C46—H46C	56.3
C9—C8—H8	119.9	H46A^ii—C46—H46C^ii	109.5
C8—C9—C10	118.7 (4)	H46B—C46—H46B^ii	141.2
C8—C9—H9	120.7	H46B—C46—H46C	109.5
C10—C9—H9	120.7	H46B—C46—H46C^ii	56.3
N3—C10—C9	122.7 (4)	H46B^ii—C46—H46C	56.3
N3—C10—H10	118.6	H46B^ii—C46—H46C^ii	109.5
C9—C10—H10	118.7	H46C—C46—H46C^ii	141.2
N1—C11—C5	112.7 (4)	F1—B1—F2	109.1 (4)
N1—C11—C12	121.5 (4)	F1—B1—F3	109.0 (5)
C5—C11—C12	125.8 (4)	F1—B1—F4	110.3 (5)
C11—C12—C13	118.8 (4)	F2—B1—F3	110.7 (4)
C11—C12—H12	120.6	F2—B1—F4	109.2 (5)
C13—C12—H12	120.6	F3—B1—F4	108.5 (5)
C12—C13—C14	120.0 (5)	F5—B2—F6	108.8 (4)
C12—C13—H13	120.1	F5—B2—F7	109.6 (4)
C14—C13—H13	120.0	F5—B2—F8	109.6 (4)
C13—C14—C15	118.5 (5)	F6—B2—F7	109.8 (4)
C13—C14—H14	120.8	F6—B2—F8	110.1 (4)
C15—C14—H14	120.6	F7—B2—F8	108.9 (4)
N1—C15—C14	122.3 (4)	F9—B3—F9^ii	111.6 (7)
N1—C15—H15	119.0	F9—B3—F10	110.5 (2)
C14—C15—H15	118.7	F9—B3—F10^ii	107.8 (2)
C3—C16—C17	119.7 (4)	F9^ii—B3—F10	107.8 (2)
C3—C16—C21	120.7 (4)	F9^ii—B3—F10^ii	110.5 (2)
C17—C16—C21	119.7 (4)	F10—B3—F10^ii	108.6 (7)
C16—C17—C18	120.3 (5)	F11—B4—F11^i	180.0
C16—C17—H17	120.0	F11—B4—F12	75.6 (4)
C18—C17—H17	119.7	F11—B4—F12^i	104.4 (4)
C17—C18—C19	120.2 (5)	F11—B4—F13	124.5 (8)
C17—C18—H18	119.9	F11—B4—F13^i	55.5 (8)
C19—C18—H18	119.9	F11—B4—F14	77.0 (5)
C18—C19—C20	120.0 (5)	F11—B4—F14^i	103.0 (5)
C18—C19—C22	118.5 (5)	F11^i—B4—F12	104.4 (4)
C20—C19—C22	121.3 (5)	F11^i—B4—F12^i	75.6 (4)
C19—C20—C21	119.5 (5)	F11^i—B4—F13	55.5 (8)
C19—C20—H20	120.2	F11^i—B4—F13^i	124.5 (8)
C21—C20—H20	120.3	F11^i—B4—F14	103.0 (5)
C16—C21—C20	120.1 (5)	F11^i—B4—F14^i	77.0 (5)
C16—C21—H21	119.9	F12—B4—F12^i	180.0
C20—C21—H21	120.0	F12—B4—F13	68.6 (7)
N7—C22—C19	174.2 (7)	F12—B4—F13^i	111.4 (7)
N5—C23—C24	119.0 (4)	F12—B4—F14	96.7 (4)
N5—C23—C28	111.5 (4)	F12—B4—F14^i	83.3 (4)
C24—C23—C28	129.5 (4)	F12^i—B4—F13	111.4 (7)
C23—C24—C25	120.7 (4)	F12^i—B4—F13^i	68.6 (7)
C23—C24—H24	119.6	F12^i—B4—F14	83.3 (4)
C25—C24—H24	119.7	F12^i—B4—F14^i	96.7 (4)
C24—C25—C26	118.6 (4)	F13—B4—F13^i	180.0
C24—C25—C38	120.8 (4)	F13—B4—F14	66.9 (6)
C26—C25—C38	120.6 (4)	F13—B4—F14^i	113.1 (6)
C25—C26—C27	118.8 (4)	F13^i—B4—F14	113.1 (6)
C25—C26—H26	120.7	F13^i—B4—F14^i	66.9 (6)
C27—C26—H26	120.5	F14—B4—F14^i	180.0
N5—C27—C26	121.1 (4)
Co1—N1—C11—C5	−0.1 (5)	N5—Co1—N1—C15	−0.2 (4)
Co1—N1—C11—C12	179.4 (4)	N5—Co1—N2—C1	13 (3)
Co1—N1—C15—C14	179.8 (4)	N5—Co1—N2—C5	−165 (3)
Co1—N2—C1—C2	−179.3 (3)	N5—Co1—N3—C6	−175.6 (3)
Co1—N2—C1—C6	0.8 (5)	N5—Co1—N3—C10	1.7 (4)
Co1—N2—C5—C4	−179.1 (3)	N5—Co1—N4—C28	1.8 (3)
Co1—N2—C5—C11	2.2 (5)	N5—Co1—N4—C32	179.8 (4)
Co1—N3—C6—C1	−4.2 (5)	N5—Co1—N6—C33	6.3 (4)
Co1—N3—C6—C7	176.3 (3)	N5—Co1—N6—C37	−172.5 (5)
Co1—N3—C10—C9	−176.7 (3)	N5—C23—C24—C25	−2.4 (7)
Co1—N4—C28—C23	−4.3 (5)	N5—C23—C28—C29	−176.2 (5)
Co1—N4—C28—C29	177.0 (4)	N5—C27—C26—C25	−1.2 (7)
Co1—N4—C32—C31	−178.8 (4)	N5—C27—C33—N6	−2.6 (6)
Co1—N5—C23—C24	174.3 (4)	N5—C27—C33—C34	174.7 (5)
Co1—N5—C23—C28	−3.8 (5)	N6—Co1—N1—C11	98.4 (3)
Co1—N5—C27—C26	−172.5 (4)	N6—Co1—N1—C15	−82.1 (4)
Co1—N5—C27—C33	8.2 (5)	N6—Co1—N2—C1	87.1 (3)
Co1—N6—C33—C27	−3.6 (5)	N6—Co1—N2—C5	−91.8 (3)
Co1—N6—C33—C34	179.0 (4)	N6—Co1—N3—C6	−93.7 (3)
Co1—N6—C37—C36	179.4 (4)	N6—Co1—N3—C10	83.5 (4)
F11—F13^i—F12^i—B4	52.7 (7)	N6—Co1—N4—C28	−3.4 (9)
F11—F13^i—F14^i—B4	−52.4 (8)	N6—Co1—N4—C32	174.5 (6)
F11—F13^i—B4—F12	53.7 (7)	N6—Co1—N5—C23	179.8 (4)
F11—F13^i—B4—F12^i	−126.3 (7)	N6—Co1—N5—C27	−8.3 (4)
F11—F13^i—B4—F14	−53.9 (8)	N6—C33—C27—C26	178.2 (5)
F11—F13^i—B4—F14^i	126.1 (8)	N6—C33—C34—C35	2.2 (8)
F11—B4—F12—F13	−136.7 (8)	N6—C37—C36—C35	0.7 (9)
F11—B4—F12^i—F13^i	−43.3 (8)	N7—C22—C19—C18	−69 (6)
F11—B4—F13—F12	53.7 (7)	N7—C22—C19—C20	105 (6)
F11—B4—F13—F14	−53.9 (8)	N8—C44—C41—C40	148 (17)
F11—B4—F13^i—F12^i	126.3 (7)	N8—C44—C41—C42	−30 (17)
F11—B4—F13^i—F14^i	−126.1 (8)	C1—N2—C5—C4	2.1 (6)
F11—B4—F14—F13	136.9 (8)	C1—N2—C5—C11	−176.7 (4)
F11—B4—F14^i—F13^i	43.1 (8)	C1—C2—C3—C4	3.0 (6)
F12—F13—F11^i—B4	50.3 (7)	C1—C2—C3—C16	−178.1 (4)
F12—F13—F14—B4	−59.1 (6)	C1—C6—N3—C10	178.3 (4)
F12—F13—B4—F14	107.6 (6)	C1—C6—C7—C8	−178.0 (4)
F12—F13—B4—F14^i	−72.4 (6)	C2—C1—N2—C5	−0.5 (6)
F12—B4—F11—F13^i	−129.2 (8)	C2—C1—C6—C7	2.0 (7)
F12—B4—F11^i—F13	−50.8 (8)	C2—C3—C4—C5	−1.5 (6)
F12—B4—F13—F14	−107.6 (6)	C2—C3—C16—C17	28.6 (7)
F12—B4—F13^i—F14^i	−72.4 (6)	C2—C3—C16—C21	−150.7 (5)
F12—B4—F14—F13	63.3 (8)	C3—C2—C1—C6	177.7 (4)
F12—B4—F14^i—F13^i	116.7 (8)	C3—C4—C5—C11	177.5 (4)
F13—F11^i—B4—F14	49.7 (8)	C3—C16—C17—C18	−175.9 (5)
F13—F11^i—B4—F14^i	−130.3 (8)	C3—C16—C21—C20	175.9 (5)
F13—F12—B4—F14	−62.0 (7)	C4—C3—C16—C17	−152.5 (5)
F13—F12—B4—F14^i	118.0 (7)	C4—C3—C16—C21	28.2 (7)
F13—F14—B4—F14^i	−81.8	C4—C5—C11—C12	0.6 (8)
F14—F13—F11^i—B4	−49.1 (7)	C5—N2—C1—C6	179.7 (4)
F14—F13—F12—B4	57.8 (5)	C5—C4—C3—C16	179.6 (4)
N1—Co1—N2—C1	177.1 (3)	C5—C11—N1—C15	−179.7 (4)
N1—Co1—N2—C5	−1.8 (3)	C5—C11—C12—C13	−179.6 (4)
N1—Co1—N3—C6	2.0 (8)	C6—N3—C10—C9	0.5 (6)
N1—Co1—N3—C10	179.3 (5)	C6—C7—C8—C9	−1.0 (7)
N1—Co1—N4—C28	−98.2 (3)	C7—C6—N3—C10	−1.3 (6)
N1—Co1—N4—C32	79.7 (4)	C7—C8—C9—C10	0.3 (7)
N1—Co1—N5—C23	90.3 (4)	C11—N1—C15—C14	−0.7 (7)
N1—Co1—N5—C27	−97.8 (4)	C11—C12—C13—C14	−0.8 (7)
N1—Co1—N6—C33	106.2 (4)	C12—C11—N1—C15	−0.1 (7)
N1—Co1—N6—C37	−72.5 (4)	C12—C13—C14—C15	0.0 (7)
N1—C11—C5—N2	−1.2 (5)	C16—C17—C18—C19	0.5 (8)
N1—C11—C5—C4	−179.9 (4)	C16—C21—C20—C19	−0.3 (8)
N1—C11—C12—C13	0.8 (7)	C17—C16—C21—C20	−3.4 (7)
N1—C15—C14—C13	0.7 (7)	C17—C18—C19—C20	−4.3 (8)
N2—Co1—N1—C11	1.0 (3)	C17—C18—C19—C22	170.5 (5)
N2—Co1—N1—C15	−179.5 (4)	C18—C17—C16—C21	3.4 (8)
N2—Co1—N3—C6	3.7 (3)	C18—C19—C20—C21	4.2 (8)
N2—Co1—N3—C10	−179.1 (4)	C21—C20—C19—C22	−170.4 (5)
N2—Co1—N4—C28	179.4 (3)	C23—N5—C27—C26	−0.9 (7)
N2—Co1—N4—C32	−2.7 (5)	C23—N5—C27—C33	179.9 (4)
N2—Co1—N5—C23	−106 (3)	C23—C24—C25—C26	0.4 (7)
N2—Co1—N5—C27	65 (3)	C23—C24—C25—C38	−179.1 (5)
N2—Co1—N6—C33	−171.3 (4)	C23—C28—N4—C32	177.6 (4)
N2—Co1—N6—C37	10.0 (5)	C23—C28—C29—C30	−177.3 (5)
N2—C1—C2—C3	−2.1 (6)	C24—C23—N5—C27	2.7 (7)
N2—C1—C6—N3	2.3 (5)	C24—C23—C28—C29	6.0 (9)
N2—C1—C6—C7	−178.2 (4)	C24—C25—C26—C27	1.4 (7)
N2—C5—C4—C3	−1.0 (6)	C24—C25—C38—C39	22.2 (8)
N2—C5—C11—C12	179.2 (4)	C24—C25—C38—C43	−158.1 (5)
N3—Co1—N1—C11	2.7 (8)	C25—C24—C23—C28	175.3 (5)
N3—Co1—N1—C15	−177.8 (5)	C25—C26—C27—C33	177.9 (5)
N3—Co1—N2—C1	−2.5 (3)	C25—C38—C39—C40	−179.8 (5)
N3—Co1—N2—C5	178.6 (3)	C25—C38—C43—C42	−179.4 (5)
N3—Co1—N4—C28	96.9 (3)	C26—C25—C38—C39	−157.2 (5)
N3—Co1—N4—C32	−85.1 (4)	C26—C25—C38—C43	22.4 (8)
N3—Co1—N5—C23	−90.4 (4)	C26—C27—C33—C34	−4.5 (9)
N3—Co1—N5—C27	81.5 (4)	C27—N5—C23—C28	−175.4 (4)
N3—Co1—N6—C33	−89.1 (4)	C27—C26—C25—C38	−179.1 (5)
N3—Co1—N6—C37	92.2 (4)	C27—C33—N6—C37	175.2 (5)
N3—C6—C1—C2	−177.6 (4)	C27—C33—C34—C35	−174.9 (5)
N3—C6—C7—C8	1.5 (7)	C28—N4—C32—C31	−1.0 (8)
N3—C10—C9—C8	0.0 (7)	C28—C29—C30—C31	0.5 (8)
N4—Co1—N1—C11	−97.2 (3)	C29—C28—N4—C32	−1.1 (7)
N4—Co1—N1—C15	82.3 (4)	C29—C30—C31—C32	−2.5 (8)
N4—Co1—N2—C1	−93.6 (3)	C33—N6—C37—C36	0.7 (8)
N4—Co1—N2—C5	87.5 (3)	C33—C34—C35—C36	−0.7 (9)
N4—Co1—N3—C6	101.6 (3)	C34—C33—N6—C37	−2.2 (8)
N4—Co1—N3—C10	−81.1 (4)	C34—C35—C36—C37	−0.6 (9)
N4—Co1—N5—C23	1.2 (4)	C38—C39—C40—C41	−2.0 (9)
N4—Co1—N5—C27	173.1 (4)	C38—C43—C42—C41	0.2 (9)
N4—Co1—N6—C33	11.5 (9)	C39—C38—C43—C42	0.3 (9)
N4—Co1—N6—C37	−167.2 (6)	C39—C40—C41—C42	2.5 (9)
N4—C28—C23—N5	5.1 (6)	C39—C40—C41—C44	−176.8 (6)
N4—C28—C23—C24	−172.7 (5)	C40—C39—C38—C43	0.6 (8)
N4—C28—C29—C30	1.3 (8)	C40—C41—C42—C43	−1.6 (9)
N4—C32—C31—C30	2.8 (8)	C43—C42—C41—C44	177.6 (6)
N5—Co1—N1—C11	−179.7 (3)	C43—C42—C41—C44	177.6 (6)

Symmetry codes: (i) −x+1, −y, −z+1; (ii) −x+1, y, −z+1/2; (iii) −x+3/2, −y+1/2, −z+1; (iv) x, −y, z−1/2; (v) x, −y+1, z−1/2; (vi) x, y+1, z; (vii) x, y−1, z; (viii) −x+3/2, y−1/2, −z+3/2; (ix) −x+3/2, −y−1/2, −z+1; (x) −x+1, −y+1, −z+1; (xi) −x+3/2, y+1/2, −z+3/2.