Two new cobalt(II) rhodamine 6G hydrazone complexes: structure, fluorescence and magnetism

Two new Co^II complexes, namely bis­{N-[(6-bromo­pyridin-2-yl)methyl­idene]-2-[6-ethyl­amino-3-(ethyl­iminium­yl)-2,7-dimethyl-3H-xanthen-9-yl]benzene-1-car­bohydrazonate}cobalt(II) bis­(perchlorate)–di­chloro­methane–methanol (1/1/2), [Co(C₃₂H₃₀BrN₅O₂)₂](ClO₄)₂·CH₂Cl₂·2CH₃OH or [Co^II(L)₂](ClO₄)₂·CH₂Cl₂·2CH₃OH, (1), and the bis­(tetra­fluorido­borate) salt, [Co(C₃₂H₃₀BrN₅O₂)₂](BF₄)₂·CH₂Cl₂·2CH₃OH or [Co^II(L)₂](BF₄)₂·CH₂Cl₂·2CH₃OH, (2) (L is com­monly 6-bromo­pyridine-2-carbaldehyde rhodamine 6G hydrazone), have been successfully constructed and characterized. The crystal structure analysis revealed that complexes (1) and (2) are mononuclear and have a Co^IIN₄O₂ distorted octa­hedral structure. The large π-conjugated xanthene moiety of the L ligand causes strong inter­molecular π–π stacking inter­actions, yielding a supra­molecular one-dimensional chain. Complexes (1) and (2) display an obvious fluorescence emission near 560 nm in the solid state. Magnetic investigations show that both (1) and (2) are paramagnetic, dominated by the structural distortion and spin-orbit coupling of Co^II.

Computing details

For both structures, data collection: CrysAlis PRO (Rigaku OD, 2017); cell refinement: CrysAlis PRO (Rigaku OD, 2017); data reduction: CrysAlis PRO (Rigaku OD, 2017); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: OLEX2 (Dolomanov et al., 2009) and DIAMOND (Brandenburg, 2005); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

Bis{N-[(6-bromopyridin-2-yl)methylidene]-2-[6-ethylamino-3-(ethyliminiumyl)-2,7-dimethyl-3H-xanthen-9-yl]benzene-1-carbohydrazonate}cobalt(II) bis(perchlorate)–dichloromethane –methanol (1/1/2) (1)

Crystal data

[Co(C32H30BrN5O2)2](ClO4)2·CH2Cl2·2CH4O	Z = 2
Mr = 1599.88	F(000) = 1638
Triclinic, P1	Dx = 1.522 Mg m^−3
a = 13.2358 (5) Å	Cu Kα radiation, λ = 1.54184 Å
b = 16.3228 (5) Å	Cell parameters from 11414 reflections
c = 17.8925 (5) Å	θ = 4.2–76.2°
α = 95.741 (2)°	µ = 5.27 mm^−1
β = 107.412 (3)°	T = 100 K
γ = 105.197 (3)°	Block, clear orange
V = 3492.0 (2) Å^3	0.3 × 0.2 × 0.1 mm

Data collection

Rigaku OD SuperNova Dual source diffractometer with an AtlasS2 detector	14225 independent reflections
Radiation source: micro-focus sealed X-ray tube, SuperNova (Cu) X-ray Source	12089 reflections with I > 2σ(I)
Mirror monochromator	Rint = 0.049
Detector resolution: 5.2137 pixels mm^-1	θmax = 76.7°, θmin = 3.5°
ω scans	h = −13→16
Absorption correction: multi-scan (CrysAlis PRO; Rigaku OD, 2017)	k = −19→20
Tmin = 0.500, Tmax = 1.000	l = −18→22
25181 measured reflections

Refinement

Refinement on F^2	12 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.067	H-atom parameters constrained
wR(F^2) = 0.193	w = 1/[σ^2(Fo^2) + (0.1212P)^2 + 3.469P] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max = 0.001
14225 reflections	Δρmax = 1.78 e Å^−3
895 parameters	Δρmin = −1.14 e Å^−3

Special details

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

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

	x	y	z	Uiso*/Ueq
Br2	0.14066 (4)	0.57606 (3)	0.51810 (2)	0.02860 (12)
Br1	0.51541 (4)	0.53924 (3)	0.59296 (4)	0.04488 (16)
Co1	0.26263 (5)	0.41997 (4)	0.61822 (3)	0.01808 (14)
Cl2	−0.21369 (12)	0.28710 (8)	0.08614 (6)	0.0439 (3)
Cl1	0.73900 (10)	−0.10611 (8)	0.73138 (8)	0.0442 (3)
Cl3	0.69813 (14)	0.38377 (10)	0.65157 (13)	0.0707 (5)
Cl4	0.63309 (18)	0.22925 (14)	0.52976 (13)	0.0800 (5)
O1	0.1241 (2)	0.31703 (17)	0.60352 (15)	0.0237 (5)
O2	0.3755 (2)	0.39020 (17)	0.70893 (15)	0.0239 (5)
O3	0.1278 (2)	0.08515 (17)	0.47006 (15)	0.0233 (5)
O4	0.4141 (2)	0.54204 (17)	0.92365 (16)	0.0270 (6)
N2	0.1840 (3)	0.4661 (2)	0.68726 (17)	0.0202 (6)
N5	0.3182 (3)	0.3346 (2)	0.56242 (18)	0.0208 (6)
N4	0.2023 (3)	0.4303 (2)	0.49141 (17)	0.0210 (6)
N1	0.3657 (3)	0.5546 (2)	0.66741 (18)	0.0215 (6)
N6	0.3823 (3)	0.2922 (2)	0.60836 (18)	0.0232 (6)
N3	0.0930 (3)	0.4102 (2)	0.69559 (18)	0.0210 (6)
O14	−0.1518 (4)	0.3107 (3)	0.1706 (2)	0.0553 (11)
N8	0.3628 (3)	−0.0082 (2)	0.6749 (2)	0.0275 (7)
H8	0.3872	−0.0094	0.7250	0.033*
O10	0.8443 (3)	−0.0422 (2)	0.7537 (3)	0.0472 (9)
N10	0.0722 (3)	0.3576 (2)	0.9200 (2)	0.0332 (8)
H10	0.0324	0.3054	0.9161	0.040*
C7	0.0720 (3)	0.3330 (2)	0.6495 (2)	0.0202 (7)
C14	0.0303 (3)	0.1482 (2)	0.5732 (2)	0.0205 (7)
C39	0.4063 (3)	0.3281 (2)	0.6847 (2)	0.0212 (7)
C5	0.3284 (3)	0.5946 (2)	0.7194 (2)	0.0213 (7)
C8	−0.0170 (3)	0.2604 (2)	0.6570 (2)	0.0204 (7)
N7	−0.0881 (4)	0.1730 (3)	0.2503 (2)	0.0365 (8)
H7	−0.1443	0.1909	0.2306	0.044*
C58	0.3711 (3)	0.3889 (2)	0.8758 (2)	0.0226 (7)
C46	0.4673 (3)	0.4035 (2)	0.8561 (2)	0.0224 (7)
C13	−0.0304 (3)	0.1744 (2)	0.6250 (2)	0.0195 (6)
C21	0.1636 (3)	0.0805 (2)	0.5488 (2)	0.0218 (7)
C6	0.2283 (3)	0.5429 (2)	0.7303 (2)	0.0220 (7)
H6	0.1981	0.5638	0.7660	0.026*
C26	0.1168 (3)	0.1125 (2)	0.6023 (2)	0.0197 (6)
O5	−0.0996 (4)	0.2136 (3)	0.9305 (3)	0.0642 (13)
H5	−0.1299	0.2327	0.9589	0.096*
C47	0.5392 (3)	0.4900 (2)	0.8710 (2)	0.0243 (7)
N9	0.7355 (4)	0.7490 (3)	0.9192 (3)	0.0417 (9)
H9	0.7969	0.7599	0.9093	0.050*
C15	−0.0069 (3)	0.1513 (2)	0.4911 (2)	0.0205 (7)
C54	0.2454 (4)	0.4517 (3)	0.9208 (2)	0.0269 (7)
H54	0.2303	0.5006	0.9402	0.032*
C37	0.2100 (3)	0.3622 (2)	0.4443 (2)	0.0239 (7)
C53	0.3423 (3)	0.4600 (2)	0.9064 (2)	0.0227 (7)
C45	0.5034 (3)	0.3304 (2)	0.8281 (2)	0.0222 (7)
C24	0.2464 (3)	0.0694 (2)	0.7086 (2)	0.0237 (7)
C23	0.2871 (3)	0.0333 (2)	0.6512 (2)	0.0243 (7)
C19	0.0173 (3)	0.1239 (2)	0.3608 (2)	0.0261 (7)
H19	0.0527	0.1017	0.3297	0.031*
C40	0.4754 (3)	0.2929 (2)	0.7474 (2)	0.0220 (7)
C4	0.3850 (3)	0.6792 (2)	0.7605 (2)	0.0241 (7)
H4	0.3596	0.7047	0.7971	0.029*
C57	0.2915 (3)	0.3055 (2)	0.8630 (2)	0.0222 (7)
H57	0.3068	0.2569	0.8435	0.027*
C52	0.5097 (3)	0.5573 (2)	0.9060 (2)	0.0246 (7)
C25	0.1639 (3)	0.1063 (2)	0.6836 (2)	0.0225 (7)
H25	0.1372	0.1284	0.7211	0.027*
C38	0.2785 (3)	0.3121 (2)	0.4858 (2)	0.0224 (7)
H38	0.2924	0.2670	0.4585	0.027*
C33	0.1418 (3)	0.4765 (2)	0.4546 (2)	0.0237 (7)
C20	0.0448 (3)	0.1200 (2)	0.4409 (2)	0.0226 (7)
C1	0.4583 (3)	0.5992 (3)	0.6582 (2)	0.0273 (8)
O6	0.4925 (5)	−0.0476 (4)	0.8219 (3)	0.0765 (17)
H6A	0.5493	−0.0229	0.8134	0.115*
C55	0.1677 (3)	0.3692 (3)	0.9066 (2)	0.0258 (7)
C17	−0.1218 (3)	0.1917 (2)	0.3751 (2)	0.0246 (7)
C9	−0.0847 (3)	0.2773 (3)	0.6991 (2)	0.0256 (7)
H9A	−0.0762	0.3342	0.7197	0.031*
C22	0.2452 (3)	0.0411 (2)	0.5707 (2)	0.0231 (7)
H22	0.2723	0.0199	0.5331	0.028*
C56	0.1952 (3)	0.2945 (2)	0.8782 (2)	0.0242 (7)
C36	0.1561 (3)	0.3417 (3)	0.3621 (2)	0.0286 (8)
H36	0.1644	0.2962	0.3313	0.034*
C18	−0.0641 (3)	0.1615 (3)	0.3272 (2)	0.0269 (8)
C48	0.6363 (3)	0.5138 (3)	0.8508 (2)	0.0281 (8)
H48	0.6577	0.4708	0.8273	0.034*
C16	−0.0924 (3)	0.1862 (2)	0.4540 (2)	0.0230 (7)
H16	−0.1300	0.2062	0.4846	0.028*
C2	0.5189 (4)	0.6850 (3)	0.6944 (3)	0.0326 (9)
H2	0.5824	0.7137	0.6841	0.039*
C3	0.4797 (4)	0.7252 (3)	0.7466 (2)	0.0304 (8)
H3	0.5165	0.7826	0.7721	0.036*
C27	−0.2118 (3)	0.2303 (3)	0.3381 (2)	0.0294 (8)
H27A	−0.1810	0.2805	0.3189	0.044*
H27B	−0.2426	0.2466	0.3774	0.044*
H27C	−0.2693	0.1884	0.2944	0.044*
C44	0.5696 (3)	0.2985 (3)	0.8875 (2)	0.0291 (8)
H44	0.5881	0.3227	0.9410	0.035*
C62	0.1129 (3)	0.2068 (3)	0.8657 (2)	0.0268 (7)
H62A	0.0467	0.2010	0.8220	0.040*
H62B	0.0946	0.2005	0.9133	0.040*
H62C	0.1450	0.1628	0.8540	0.040*
C41	0.5132 (3)	0.2244 (2)	0.7280 (2)	0.0247 (7)
H41	0.4940	0.1991	0.6747	0.030*
C10	−0.1647 (3)	0.2105 (3)	0.7108 (3)	0.0285 (8)
H10A	−0.2098	0.2227	0.7387	0.034*
C12	−0.1101 (3)	0.1073 (2)	0.6385 (2)	0.0249 (7)
H12	−0.1183	0.0501	0.6189	0.030*
C49	0.7005 (4)	0.5989 (3)	0.8646 (3)	0.0326 (9)
C34	0.0815 (3)	0.4596 (3)	0.3733 (2)	0.0283 (8)
H34	0.0377	0.4932	0.3514	0.034*
C50	0.6698 (4)	0.6643 (3)	0.9032 (3)	0.0334 (9)
O11	−0.2185 (5)	0.2024 (3)	0.0560 (3)	0.0781 (17)
C35	0.0897 (4)	0.3902 (3)	0.3264 (2)	0.0303 (8)
H35	0.0512	0.3763	0.2717	0.036*
C30	0.2965 (3)	0.0646 (3)	0.7946 (2)	0.0293 (8)
H30A	0.2830	0.0051	0.7998	0.044*
H30B	0.2632	0.0925	0.8261	0.044*
H30C	0.3752	0.0933	0.8127	0.044*
C51	0.5744 (4)	0.6433 (3)	0.9234 (2)	0.0301 (8)
H51	0.5541	0.6861	0.9483	0.036*
C11	−0.1768 (3)	0.1253 (3)	0.6806 (2)	0.0274 (8)
H11	−0.2297	0.0802	0.6887	0.033*
C43	0.6079 (4)	0.2310 (3)	0.8671 (3)	0.0319 (8)
H43	0.6528	0.2108	0.9068	0.038*
C42	0.5789 (4)	0.1936 (3)	0.7871 (3)	0.0312 (8)
H42	0.6038	0.1478	0.7735	0.037*
O8	0.7534 (4)	−0.1792 (3)	0.7687 (3)	0.0751 (16)
C31	0.4071 (4)	−0.0513 (3)	0.6229 (3)	0.0317 (8)
H31A	0.3478	−0.0795	0.5727	0.038*
H31B	0.4329	−0.0958	0.6475	0.038*
O7	0.6661 (4)	−0.0731 (5)	0.7615 (4)	0.0877 (19)
O9	0.6895 (7)	−0.1313 (5)	0.6492 (4)	0.105 (2)
O12	−0.1699 (6)	0.3437 (5)	0.0432 (3)	0.101 (2)
C63	0.0299 (4)	0.4276 (3)	0.9409 (3)	0.0372 (10)
H63A	0.0911	0.4748	0.9781	0.045*
H63B	−0.0232	0.4069	0.9675	0.045*
C32	0.5024 (4)	0.0098 (3)	0.6060 (3)	0.0412 (10)
H32A	0.5296	−0.0225	0.5729	0.062*
H32B	0.5613	0.0384	0.6554	0.062*
H32C	0.4765	0.0522	0.5790	0.062*
O13	−0.3258 (5)	0.2876 (5)	0.0733 (3)	0.0926 (19)
C28	−0.0253 (4)	0.1569 (3)	0.1985 (3)	0.0385 (10)
H28A	0.0510	0.1651	0.2312	0.046*
H28B	−0.0244	0.1988	0.1637	0.046*
C59	0.8007 (4)	0.6235 (3)	0.8398 (3)	0.0448 (11)
H59A	0.8662	0.6473	0.8864	0.067*
H59B	0.7944	0.6659	0.8066	0.067*
H59C	0.8061	0.5732	0.8105	0.067*
C60	0.7063 (5)	0.8204 (3)	0.9519 (3)	0.0476 (13)
H60A	0.6966	0.8120	1.0025	0.057*
H60B	0.6366	0.8230	0.9157	0.057*
C65	−0.1473 (5)	0.1242 (3)	0.9075 (4)	0.0483 (12)
H65A	−0.1200	0.1029	0.8679	0.072*
H65B	−0.2267	0.1104	0.8855	0.072*
H65C	−0.1280	0.0978	0.9531	0.072*
C64	−0.0253 (5)	0.4606 (4)	0.8692 (3)	0.0523 (14)
H64A	−0.0927	0.4167	0.8362	0.078*
H64B	0.0240	0.4748	0.8393	0.078*
H64C	−0.0426	0.5113	0.8863	0.078*
C29	−0.0738 (5)	0.0671 (4)	0.1483 (3)	0.0512 (13)
H29A	−0.0347	0.0616	0.1116	0.077*
H29B	−0.1511	0.0570	0.1189	0.077*
H29C	−0.0665	0.0255	0.1822	0.077*
C61	0.7981 (6)	0.9050 (3)	0.9641 (4)	0.0630 (19)
H61A	0.8041	0.9149	0.9135	0.095*
H61B	0.8675	0.9012	0.9982	0.095*
H61C	0.7802	0.9519	0.9885	0.095*
C67	0.6052 (6)	0.3245 (6)	0.5564 (5)	0.071 (2)
H67A	0.5295	0.3104	0.5569	0.086*
H67B	0.6110	0.3602	0.5167	0.086*
C66	0.5106 (9)	−0.0302 (8)	0.9036 (5)	0.099 (3)
H66A	0.4760	0.0122	0.9147	0.149*
H66B	0.5891	−0.0084	0.9324	0.149*
H66C	0.4791	−0.0824	0.9199	0.149*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Br2	0.0388 (2)	0.0231 (2)	0.0288 (2)	0.01534 (16)	0.01248 (16)	0.00771 (15)
Br1	0.0478 (3)	0.0309 (2)	0.0653 (3)	0.0051 (2)	0.0410 (2)	0.0016 (2)
Co1	0.0244 (3)	0.0153 (3)	0.0178 (3)	0.0071 (2)	0.0103 (2)	0.0052 (2)
Cl2	0.0767 (8)	0.0488 (6)	0.0255 (5)	0.0428 (6)	0.0223 (5)	0.0138 (4)
Cl1	0.0394 (5)	0.0312 (5)	0.0589 (7)	0.0082 (4)	0.0110 (5)	0.0200 (5)
Cl3	0.0624 (8)	0.0423 (7)	0.1186 (14)	0.0161 (6)	0.0473 (9)	0.0132 (8)
Cl4	0.0805 (11)	0.0738 (12)	0.0841 (12)	0.0232 (9)	0.0309 (9)	0.0007 (9)
O1	0.0294 (12)	0.0192 (12)	0.0251 (12)	0.0039 (10)	0.0162 (10)	0.0042 (10)
O2	0.0328 (13)	0.0213 (12)	0.0209 (11)	0.0130 (10)	0.0093 (10)	0.0055 (10)
O3	0.0326 (13)	0.0211 (12)	0.0226 (12)	0.0141 (10)	0.0124 (10)	0.0071 (10)
O4	0.0399 (14)	0.0175 (12)	0.0257 (12)	0.0111 (11)	0.0121 (11)	0.0038 (10)
N2	0.0262 (14)	0.0182 (14)	0.0189 (13)	0.0074 (11)	0.0100 (11)	0.0073 (11)
N5	0.0247 (14)	0.0172 (14)	0.0226 (14)	0.0061 (11)	0.0108 (11)	0.0055 (11)
N4	0.0263 (14)	0.0197 (14)	0.0193 (13)	0.0055 (11)	0.0108 (11)	0.0085 (11)
N1	0.0282 (14)	0.0180 (14)	0.0236 (14)	0.0106 (12)	0.0124 (12)	0.0068 (11)
N6	0.0286 (15)	0.0214 (15)	0.0226 (14)	0.0094 (12)	0.0106 (12)	0.0071 (12)
N3	0.0259 (14)	0.0175 (14)	0.0248 (14)	0.0078 (11)	0.0141 (11)	0.0075 (11)
O14	0.092 (3)	0.059 (2)	0.0264 (16)	0.054 (2)	0.0106 (17)	0.0059 (15)
N8	0.0328 (16)	0.0295 (17)	0.0262 (15)	0.0172 (14)	0.0113 (13)	0.0069 (13)
O10	0.0456 (18)	0.0279 (16)	0.079 (3)	0.0128 (14)	0.0318 (18)	0.0221 (17)
N10	0.0433 (19)	0.0249 (17)	0.0421 (19)	0.0152 (15)	0.0255 (16)	0.0067 (14)
C7	0.0283 (16)	0.0154 (16)	0.0208 (15)	0.0092 (13)	0.0106 (13)	0.0074 (12)
C14	0.0242 (16)	0.0127 (15)	0.0244 (16)	0.0032 (12)	0.0099 (13)	0.0042 (12)
C39	0.0269 (16)	0.0151 (15)	0.0252 (16)	0.0085 (13)	0.0115 (13)	0.0061 (13)
C5	0.0285 (17)	0.0194 (16)	0.0193 (15)	0.0106 (14)	0.0086 (13)	0.0074 (13)
C8	0.0261 (16)	0.0165 (16)	0.0235 (16)	0.0103 (13)	0.0103 (13)	0.0095 (13)
N7	0.053 (2)	0.042 (2)	0.0247 (16)	0.0293 (18)	0.0141 (15)	0.0116 (15)
C58	0.0336 (18)	0.0186 (17)	0.0188 (15)	0.0107 (14)	0.0106 (13)	0.0052 (13)
C46	0.0316 (18)	0.0192 (16)	0.0180 (15)	0.0109 (14)	0.0065 (13)	0.0080 (12)
C13	0.0238 (15)	0.0166 (16)	0.0233 (15)	0.0090 (13)	0.0111 (13)	0.0098 (13)
C21	0.0267 (16)	0.0170 (16)	0.0225 (16)	0.0070 (13)	0.0088 (13)	0.0061 (13)
C6	0.0309 (17)	0.0185 (16)	0.0213 (15)	0.0119 (14)	0.0114 (13)	0.0049 (13)
C26	0.0268 (16)	0.0123 (14)	0.0229 (16)	0.0062 (13)	0.0111 (13)	0.0073 (12)
O5	0.081 (3)	0.036 (2)	0.087 (3)	−0.0007 (19)	0.067 (3)	−0.0036 (19)
C47	0.0333 (18)	0.0189 (17)	0.0213 (16)	0.0115 (15)	0.0057 (14)	0.0083 (13)
N9	0.047 (2)	0.0224 (18)	0.053 (2)	0.0060 (16)	0.0134 (18)	0.0168 (16)
C15	0.0257 (16)	0.0155 (15)	0.0209 (16)	0.0051 (13)	0.0093 (13)	0.0055 (12)
C54	0.041 (2)	0.0213 (17)	0.0255 (17)	0.0164 (16)	0.0141 (15)	0.0070 (14)
C37	0.0300 (17)	0.0217 (17)	0.0199 (16)	0.0037 (14)	0.0118 (14)	0.0045 (13)
C53	0.0365 (19)	0.0163 (16)	0.0182 (15)	0.0126 (14)	0.0080 (14)	0.0087 (12)
C45	0.0255 (16)	0.0192 (16)	0.0250 (17)	0.0086 (13)	0.0103 (13)	0.0078 (13)
C24	0.0280 (17)	0.0209 (17)	0.0249 (17)	0.0076 (14)	0.0114 (14)	0.0085 (13)
C23	0.0284 (17)	0.0183 (16)	0.0256 (17)	0.0066 (14)	0.0087 (14)	0.0046 (13)
C19	0.039 (2)	0.0218 (17)	0.0236 (17)	0.0148 (15)	0.0130 (15)	0.0066 (14)
C40	0.0255 (16)	0.0194 (16)	0.0227 (16)	0.0069 (13)	0.0099 (13)	0.0060 (13)
C4	0.0348 (19)	0.0183 (17)	0.0216 (16)	0.0109 (14)	0.0098 (14)	0.0063 (13)
C57	0.0339 (18)	0.0174 (16)	0.0219 (15)	0.0128 (14)	0.0134 (14)	0.0086 (13)
C52	0.0364 (19)	0.0198 (17)	0.0197 (16)	0.0116 (15)	0.0077 (14)	0.0102 (13)
C25	0.0281 (17)	0.0192 (16)	0.0232 (16)	0.0078 (14)	0.0118 (13)	0.0071 (13)
C38	0.0299 (17)	0.0201 (16)	0.0193 (15)	0.0069 (14)	0.0118 (13)	0.0042 (13)
C33	0.0299 (17)	0.0207 (17)	0.0239 (17)	0.0069 (14)	0.0136 (14)	0.0081 (13)
C20	0.0301 (17)	0.0133 (15)	0.0279 (17)	0.0085 (13)	0.0125 (14)	0.0058 (13)
C1	0.0304 (18)	0.0209 (18)	0.0326 (19)	0.0063 (15)	0.0153 (15)	0.0033 (15)
O6	0.117 (4)	0.112 (4)	0.043 (2)	0.093 (4)	0.033 (2)	0.030 (2)
C55	0.040 (2)	0.0241 (18)	0.0223 (16)	0.0167 (16)	0.0164 (15)	0.0071 (14)
C17	0.0310 (18)	0.0171 (16)	0.0267 (17)	0.0090 (14)	0.0094 (14)	0.0056 (13)
C9	0.0328 (18)	0.0210 (17)	0.0300 (18)	0.0118 (15)	0.0160 (15)	0.0101 (14)
C22	0.0301 (17)	0.0196 (16)	0.0254 (17)	0.0129 (14)	0.0126 (14)	0.0064 (13)
C56	0.0356 (19)	0.0210 (17)	0.0216 (16)	0.0124 (15)	0.0134 (14)	0.0068 (13)
C36	0.037 (2)	0.0268 (19)	0.0211 (17)	0.0082 (16)	0.0112 (15)	0.0027 (14)
C18	0.0364 (19)	0.0222 (18)	0.0232 (17)	0.0100 (15)	0.0106 (15)	0.0055 (14)
C48	0.0349 (19)	0.0238 (19)	0.0275 (18)	0.0109 (16)	0.0097 (15)	0.0115 (15)
C16	0.0280 (17)	0.0189 (16)	0.0243 (16)	0.0077 (14)	0.0114 (14)	0.0053 (13)
C2	0.034 (2)	0.024 (2)	0.039 (2)	0.0025 (16)	0.0168 (17)	0.0056 (16)
C3	0.038 (2)	0.0184 (17)	0.0296 (18)	0.0028 (15)	0.0090 (16)	0.0042 (14)
C27	0.036 (2)	0.029 (2)	0.0265 (18)	0.0157 (16)	0.0098 (15)	0.0083 (15)
C44	0.0349 (19)	0.030 (2)	0.0243 (17)	0.0173 (16)	0.0054 (15)	0.0076 (15)
C62	0.0350 (19)	0.0215 (18)	0.0298 (18)	0.0111 (15)	0.0163 (15)	0.0089 (14)
C41	0.0309 (18)	0.0218 (17)	0.0254 (17)	0.0116 (14)	0.0115 (14)	0.0073 (14)
C10	0.0317 (18)	0.0271 (19)	0.038 (2)	0.0132 (16)	0.0226 (16)	0.0132 (16)
C12	0.0301 (18)	0.0173 (16)	0.0311 (18)	0.0081 (14)	0.0136 (14)	0.0094 (14)
C49	0.040 (2)	0.026 (2)	0.037 (2)	0.0116 (17)	0.0148 (17)	0.0175 (16)
C34	0.0306 (18)	0.031 (2)	0.0265 (18)	0.0094 (16)	0.0114 (15)	0.0131 (15)
C50	0.042 (2)	0.0210 (19)	0.034 (2)	0.0079 (17)	0.0070 (17)	0.0152 (16)
O11	0.116 (4)	0.054 (3)	0.048 (2)	0.055 (3)	−0.013 (2)	−0.0075 (19)
C35	0.036 (2)	0.033 (2)	0.0191 (16)	0.0074 (16)	0.0066 (14)	0.0080 (15)
C30	0.037 (2)	0.035 (2)	0.0253 (18)	0.0213 (17)	0.0135 (15)	0.0130 (16)
C51	0.042 (2)	0.0175 (17)	0.0269 (18)	0.0103 (16)	0.0050 (16)	0.0054 (14)
C11	0.0294 (18)	0.0245 (19)	0.0357 (19)	0.0082 (15)	0.0186 (15)	0.0143 (15)
C43	0.039 (2)	0.030 (2)	0.031 (2)	0.0199 (17)	0.0094 (16)	0.0119 (16)
C42	0.038 (2)	0.0246 (19)	0.036 (2)	0.0160 (16)	0.0151 (17)	0.0064 (16)
O8	0.051 (2)	0.051 (3)	0.105 (4)	−0.002 (2)	0.006 (2)	0.051 (3)
C31	0.036 (2)	0.032 (2)	0.034 (2)	0.0205 (17)	0.0134 (16)	0.0062 (16)
O7	0.054 (3)	0.133 (5)	0.114 (4)	0.044 (3)	0.055 (3)	0.069 (4)
O9	0.138 (6)	0.089 (4)	0.067 (3)	0.048 (4)	−0.003 (4)	0.000 (3)
O12	0.132 (5)	0.097 (5)	0.050 (3)	−0.004 (4)	0.025 (3)	0.025 (3)
C63	0.047 (2)	0.032 (2)	0.045 (2)	0.0201 (19)	0.028 (2)	0.0056 (18)
C32	0.040 (2)	0.045 (3)	0.042 (2)	0.015 (2)	0.0201 (19)	0.004 (2)
O13	0.102 (4)	0.173 (6)	0.046 (2)	0.099 (4)	0.032 (2)	0.034 (3)
C28	0.048 (2)	0.039 (2)	0.033 (2)	0.018 (2)	0.0141 (18)	0.0095 (18)
C59	0.047 (3)	0.032 (2)	0.063 (3)	0.013 (2)	0.025 (2)	0.022 (2)
C60	0.064 (3)	0.019 (2)	0.047 (3)	0.008 (2)	0.004 (2)	0.0118 (18)
C65	0.057 (3)	0.035 (3)	0.063 (3)	0.012 (2)	0.034 (3)	0.016 (2)
C64	0.071 (3)	0.053 (3)	0.044 (3)	0.040 (3)	0.020 (2)	0.001 (2)
C29	0.056 (3)	0.054 (3)	0.040 (3)	0.017 (3)	0.014 (2)	−0.005 (2)
C61	0.085 (4)	0.022 (2)	0.058 (3)	0.001 (3)	0.001 (3)	0.013 (2)
C67	0.066 (4)	0.103 (6)	0.085 (5)	0.049 (4)	0.050 (4)	0.057 (4)
C66	0.117 (6)	0.132 (7)	0.074 (5)	0.077 (6)	0.034 (4)	0.026 (5)

Geometric parameters (Å, º)

Br2—C33	1.894 (4)	C46—C45	1.491 (5)
Br1—C1	1.892 (4)	C13—C12	1.403 (5)
Co1—O1	2.064 (3)	C21—C26	1.412 (5)
Co1—O2	2.047 (3)	C21—C22	1.376 (5)
Co1—N2	2.042 (3)	C26—C25	1.426 (5)
Co1—N5	2.044 (3)	O5—C65	1.392 (6)
Co1—N4	2.208 (3)	C47—C52	1.410 (6)
Co1—N1	2.188 (3)	C47—C48	1.407 (6)
Cl2—O14	1.442 (3)	N9—C50	1.374 (5)
Cl2—O11	1.411 (4)	N9—C60	1.445 (7)
Cl2—O12	1.381 (6)	C15—C20	1.413 (5)
Cl2—O13	1.435 (5)	C15—C16	1.418 (5)
Cl1—O10	1.418 (4)	C54—C53	1.358 (6)
Cl1—O8	1.452 (4)	C54—C55	1.409 (6)
Cl1—O7	1.428 (6)	C37—C38	1.467 (6)
Cl1—O9	1.386 (6)	C37—C36	1.389 (5)
Cl3—C67	1.773 (9)	C45—C40	1.409 (5)
Cl4—C67	1.743 (9)	C45—C44	1.401 (5)
O1—C7	1.269 (5)	C24—C23	1.437 (5)
O2—C39	1.271 (5)	C24—C25	1.366 (6)
O3—C21	1.363 (4)	C24—C30	1.501 (5)
O3—C20	1.359 (5)	C23—C22	1.412 (5)
O4—C53	1.366 (5)	C19—C20	1.382 (5)
O4—C52	1.361 (5)	C19—C18	1.389 (6)
N2—N3	1.366 (4)	C40—C41	1.392 (5)
N2—C6	1.288 (5)	C4—C3	1.389 (6)
N5—N6	1.370 (5)	C57—C56	1.352 (5)
N5—C38	1.288 (5)	C52—C51	1.387 (5)
N4—C37	1.370 (5)	C33—C34	1.392 (5)
N4—C33	1.322 (5)	C1—C2	1.393 (6)
N1—C5	1.362 (5)	O6—C66	1.395 (10)
N1—C1	1.318 (5)	C55—C56	1.447 (5)
N6—C39	1.339 (5)	C17—C18	1.437 (6)
N3—C7	1.347 (5)	C17—C16	1.367 (5)
N8—C23	1.342 (5)	C17—C27	1.503 (5)
N8—C31	1.456 (5)	C9—C10	1.387 (5)
N10—C55	1.326 (6)	C56—C62	1.503 (5)
N10—C63	1.460 (5)	C36—C35	1.392 (6)
C7—C8	1.486 (5)	C48—C49	1.378 (6)
C14—C13	1.494 (5)	C2—C3	1.384 (6)
C14—C26	1.407 (5)	C44—C43	1.387 (6)
C14—C15	1.414 (5)	C41—C42	1.384 (6)
C39—C40	1.489 (5)	C10—C11	1.391 (6)
C5—C6	1.453 (5)	C12—C11	1.387 (6)
C5—C4	1.390 (5)	C49—C50	1.426 (7)
C8—C13	1.407 (5)	C49—C59	1.491 (7)
C8—C9	1.392 (5)	C34—C35	1.388 (6)
N7—C18	1.361 (5)	C50—C51	1.384 (7)
N7—C28	1.465 (6)	C43—C42	1.394 (6)
C58—C46	1.389 (5)	C31—C32	1.518 (7)
C58—C53	1.421 (5)	C63—C64	1.502 (8)
C58—C57	1.434 (5)	C28—C29	1.505 (7)
C46—C47	1.427 (5)	C60—C61	1.526 (7)
O1—Co1—N4	92.23 (11)	C48—C47—C52	117.0 (4)
O1—Co1—N1	151.55 (11)	C50—N9—C60	123.1 (5)
O2—Co1—O1	98.93 (11)	C14—C15—C16	124.7 (3)
O2—Co1—N4	148.65 (12)	C20—C15—C14	119.4 (3)
O2—Co1—N1	85.63 (11)	C20—C15—C16	115.9 (3)
N2—Co1—O1	75.66 (11)	C53—C54—C55	120.1 (4)
N2—Co1—O2	96.19 (11)	N4—C37—C38	116.0 (3)
N2—Co1—N5	159.47 (13)	N4—C37—C36	122.2 (4)
N2—Co1—N4	114.99 (12)	C36—C37—C38	121.9 (4)
N2—Co1—N1	75.94 (12)	O4—C53—C58	120.2 (4)
N5—Co1—O1	87.08 (12)	C54—C53—O4	116.2 (3)
N5—Co1—O2	75.30 (12)	C54—C53—C58	123.5 (4)
N5—Co1—N4	76.13 (12)	C40—C45—C46	124.4 (3)
N5—Co1—N1	121.05 (12)	C44—C45—C46	116.4 (3)
N1—Co1—N4	98.30 (11)	C44—C45—C40	119.2 (4)
O11—Cl2—O14	110.2 (2)	C23—C24—C30	118.4 (3)
O11—Cl2—O13	107.5 (4)	C25—C24—C23	119.5 (3)
O12—Cl2—O14	112.8 (3)	C25—C24—C30	122.1 (4)
O12—Cl2—O11	109.5 (4)	N8—C23—C24	119.5 (3)
O12—Cl2—O13	107.6 (5)	N8—C23—C22	121.3 (4)
O13—Cl2—O14	109.1 (3)	C22—C23—C24	119.2 (4)
O10—Cl1—O8	108.4 (2)	C20—C19—C18	119.1 (4)
O10—Cl1—O7	109.8 (3)	C45—C40—C39	118.8 (3)
O7—Cl1—O8	107.0 (4)	C41—C40—C39	121.6 (3)
O9—Cl1—O10	112.1 (4)	C41—C40—C45	119.6 (3)
O9—Cl1—O8	111.4 (4)	C3—C4—C5	119.4 (4)
O9—Cl1—O7	107.9 (4)	C56—C57—C58	122.9 (3)
C7—O1—Co1	111.8 (2)	O4—C52—C47	121.8 (3)
C39—O2—Co1	112.3 (2)	O4—C52—C51	115.5 (4)
C20—O3—C21	120.4 (3)	C51—C52—C47	122.7 (4)
C52—O4—C53	120.3 (3)	C24—C25—C26	122.7 (3)
N3—N2—Co1	118.6 (2)	N5—C38—C37	115.6 (3)
C6—N2—Co1	120.2 (3)	N4—C33—Br2	116.7 (3)
C6—N2—N3	120.6 (3)	N4—C33—C34	125.7 (4)
N6—N5—Co1	118.3 (2)	C34—C33—Br2	117.5 (3)
C38—N5—Co1	119.4 (3)	O3—C20—C15	120.9 (3)
C38—N5—N6	121.4 (3)	O3—C20—C19	115.7 (3)
C37—N4—Co1	110.1 (2)	C19—C20—C15	123.3 (4)
C33—N4—Co1	131.5 (3)	N1—C1—Br1	116.5 (3)
C33—N4—C37	116.5 (3)	N1—C1—C2	125.6 (4)
C5—N1—Co1	112.1 (2)	C2—C1—Br1	117.9 (3)
C1—N1—Co1	130.6 (3)	N10—C55—C54	122.4 (4)
C1—N1—C5	117.2 (3)	N10—C55—C56	119.2 (4)
C39—N6—N5	107.0 (3)	C54—C55—C56	118.4 (4)
C7—N3—N2	107.5 (3)	C18—C17—C27	119.6 (3)
C23—N8—C31	125.3 (3)	C16—C17—C18	119.3 (4)
C55—N10—C63	124.4 (4)	C16—C17—C27	121.1 (4)
O1—C7—N3	125.9 (3)	C10—C9—C8	121.1 (4)
O1—C7—C8	118.2 (3)	C21—C22—C23	119.0 (3)
N3—C7—C8	115.8 (3)	C57—C56—C55	119.8 (4)
C26—C14—C13	121.5 (3)	C57—C56—C62	122.5 (3)
C26—C14—C15	118.8 (3)	C55—C56—C62	117.7 (4)
C15—C14—C13	119.4 (3)	C37—C36—C35	119.2 (4)
O2—C39—N6	125.8 (3)	N7—C18—C19	121.3 (4)
O2—C39—C40	116.6 (3)	N7—C18—C17	119.0 (4)
N6—C39—C40	117.7 (3)	C19—C18—C17	119.7 (3)
N1—C5—C6	115.9 (3)	C49—C48—C47	122.0 (4)
N1—C5—C4	121.6 (3)	C17—C16—C15	122.6 (4)
C4—C5—C6	122.5 (3)	C3—C2—C1	116.6 (4)
C13—C8—C7	120.5 (3)	C2—C3—C4	119.5 (4)
C9—C8—C7	119.7 (3)	C43—C44—C45	120.5 (4)
C9—C8—C13	119.7 (3)	C42—C41—C40	120.7 (4)
C18—N7—C28	124.7 (4)	C9—C10—C11	119.5 (4)
C46—C58—C53	120.0 (3)	C11—C12—C13	120.9 (4)
C46—C58—C57	124.6 (3)	C48—C49—C50	118.9 (4)
C53—C58—C57	115.3 (3)	C48—C49—C59	121.4 (4)
C58—C46—C47	119.2 (4)	C50—C49—C59	119.7 (4)
C58—C46—C45	121.4 (3)	C35—C34—C33	117.0 (4)
C47—C46—C45	119.1 (3)	N9—C50—C49	119.1 (4)
C8—C13—C14	124.8 (3)	N9—C50—C51	120.3 (4)
C12—C13—C14	116.4 (3)	C51—C50—C49	120.6 (4)
C12—C13—C8	118.7 (3)	C34—C35—C36	119.3 (4)
O3—C21—C26	121.2 (3)	C50—C51—C52	118.8 (4)
O3—C21—C22	115.1 (3)	C12—C11—C10	120.2 (4)
C22—C21—C26	123.7 (3)	C44—C43—C42	120.0 (4)
N2—C6—C5	115.6 (3)	C41—C42—C43	120.0 (4)
C14—C26—C21	119.2 (3)	N8—C31—C32	113.3 (4)
C14—C26—C25	124.9 (3)	N10—C63—C64	112.4 (4)
C21—C26—C25	115.8 (3)	N7—C28—C29	112.5 (4)
C52—C47—C46	118.3 (4)	N9—C60—C61	109.7 (6)
C48—C47—C46	124.7 (4)	Cl4—C67—Cl3	112.0 (4)
Br2—C33—C34—C35	175.3 (3)	C47—C48—C49—C50	2.2 (6)
Br1—C1—C2—C3	−175.2 (3)	C47—C48—C49—C59	−177.5 (4)
Co1—O1—C7—N3	8.0 (5)	N9—C50—C51—C52	179.7 (4)
Co1—O1—C7—C8	−169.0 (2)	C15—C14—C13—C8	−80.1 (4)
Co1—O2—C39—N6	8.9 (5)	C15—C14—C13—C12	96.5 (4)
Co1—O2—C39—C40	−171.4 (2)	C15—C14—C26—C21	−0.3 (5)
Co1—N2—N3—C7	−3.2 (4)	C15—C14—C26—C25	178.9 (3)
Co1—N2—C6—C5	6.0 (4)	C54—C55—C56—C57	−2.7 (5)
Co1—N5—N6—C39	−8.4 (4)	C54—C55—C56—C62	178.1 (3)
Co1—N5—C38—C37	10.3 (4)	C37—N4—C33—Br2	−175.0 (3)
Co1—N4—C37—C38	−14.3 (4)	C37—N4—C33—C34	3.2 (5)
Co1—N4—C37—C36	165.6 (3)	C37—C36—C35—C34	2.0 (6)
Co1—N4—C33—Br2	22.2 (4)	C53—O4—C52—C47	−1.1 (5)
Co1—N4—C33—C34	−159.5 (3)	C53—O4—C52—C51	177.7 (3)
Co1—N1—C5—C6	−1.8 (4)	C53—C58—C46—C47	3.3 (5)
Co1—N1—C5—C4	176.8 (3)	C53—C58—C46—C45	176.5 (3)
Co1—N1—C1—Br1	−0.7 (5)	C53—C58—C57—C56	0.5 (5)
Co1—N1—C1—C2	−178.3 (3)	C53—C54—C55—N10	179.7 (4)
O1—C7—C8—C13	10.5 (5)	C53—C54—C55—C56	1.4 (5)
O1—C7—C8—C9	−172.3 (3)	C45—C46—C47—C52	−172.9 (3)
O2—C39—C40—C45	−0.8 (5)	C45—C46—C47—C48	9.5 (5)
O2—C39—C40—C41	179.5 (3)	C45—C40—C41—C42	−0.8 (6)
O3—C21—C26—C14	1.3 (5)	C45—C44—C43—C42	−1.1 (7)
O3—C21—C26—C25	−178.1 (3)	C24—C23—C22—C21	−2.2 (5)
O3—C21—C22—C23	−179.9 (3)	C23—N8—C31—C32	83.4 (5)
O4—C52—C51—C50	−176.5 (3)	C23—C24—C25—C26	−1.3 (6)
N2—N3—C7—O1	−3.5 (5)	C40—C45—C44—C43	0.4 (6)
N2—N3—C7—C8	173.6 (3)	C40—C41—C42—C43	0.1 (6)
N5—N6—C39—O2	−0.6 (5)	C4—C5—C6—N2	179.0 (3)
N5—N6—C39—C40	179.7 (3)	C57—C58—C46—C47	179.3 (3)
N4—C37—C38—N5	4.0 (5)	C57—C58—C46—C45	−7.5 (5)
N4—C37—C36—C35	−1.7 (6)	C57—C58—C53—O4	177.5 (3)
N4—C33—C34—C35	−2.9 (6)	C57—C58—C53—C54	−1.9 (5)
N1—C5—C6—N2	−2.4 (5)	C52—O4—C53—C58	5.1 (5)
N1—C5—C4—C3	2.2 (6)	C52—O4—C53—C54	−175.5 (3)
N1—C1—C2—C3	2.3 (7)	C52—C47—C48—C49	0.4 (5)
N6—N5—C38—C37	179.1 (3)	C25—C24—C23—N8	−175.5 (4)
N6—C39—C40—C45	178.9 (3)	C25—C24—C23—C22	3.5 (5)
N6—C39—C40—C41	−0.8 (5)	C38—N5—N6—C39	−177.3 (3)
N3—N2—C6—C5	176.6 (3)	C38—C37—C36—C35	178.1 (4)
N3—C7—C8—C13	−166.8 (3)	C33—N4—C37—C38	179.3 (3)
N3—C7—C8—C9	10.4 (5)	C33—N4—C37—C36	−0.8 (5)
N8—C23—C22—C21	176.8 (4)	C33—C34—C35—C36	0.1 (6)
N10—C55—C56—C57	178.9 (4)	C20—O3—C21—C26	−0.8 (5)
N10—C55—C56—C62	−0.3 (5)	C20—O3—C21—C22	177.7 (3)
C7—C8—C13—C14	−8.1 (5)	C20—C15—C16—C17	−1.7 (5)
C7—C8—C13—C12	175.4 (3)	C20—C19—C18—N7	174.9 (4)
C7—C8—C9—C10	−176.5 (3)	C20—C19—C18—C17	−3.1 (6)
C14—C13—C12—C11	−175.0 (3)	C1—N1—C5—C6	−178.0 (3)
C14—C26—C25—C24	178.6 (3)	C1—N1—C5—C4	0.5 (5)
C14—C15—C20—O3	1.5 (5)	C1—C2—C3—C4	0.6 (6)
C14—C15—C20—C19	−177.1 (3)	C55—N10—C63—C64	80.8 (6)
C14—C15—C16—C17	176.7 (3)	C55—C54—C53—O4	−178.5 (3)
C39—C40—C41—C42	178.9 (4)	C55—C54—C53—C58	1.0 (6)
C5—N1—C1—Br1	174.7 (3)	C9—C8—C13—C14	174.7 (3)
C5—N1—C1—C2	−2.8 (6)	C9—C8—C13—C12	−1.8 (5)
C5—C4—C3—C2	−2.7 (6)	C9—C10—C11—C12	−0.6 (6)
C8—C13—C12—C11	1.8 (5)	C22—C21—C26—C14	−177.1 (3)
C8—C9—C10—C11	0.6 (6)	C22—C21—C26—C25	3.5 (5)
C58—C46—C47—C52	0.5 (5)	C36—C37—C38—N5	−175.9 (4)
C58—C46—C47—C48	−177.1 (4)	C18—N7—C28—C29	93.5 (6)
C58—C46—C45—C40	92.8 (5)	C18—C19—C20—O3	−177.7 (3)
C58—C46—C45—C44	−87.3 (4)	C18—C19—C20—C15	1.0 (6)
C58—C57—C56—C55	1.7 (6)	C18—C17—C16—C15	−0.3 (6)
C58—C57—C56—C62	−179.1 (3)	C48—C47—C52—O4	176.1 (3)
C46—C58—C53—O4	−6.2 (5)	C48—C47—C52—C51	−2.7 (5)
C46—C58—C53—C54	174.4 (3)	C48—C49—C50—N9	178.1 (4)
C46—C58—C57—C56	−175.6 (4)	C48—C49—C50—C51	−2.6 (6)
C46—C47—C52—O4	−1.7 (5)	C16—C15—C20—O3	180.0 (3)
C46—C47—C52—C51	179.5 (3)	C16—C15—C20—C19	1.4 (5)
C46—C47—C48—C49	178.0 (4)	C16—C17—C18—N7	−175.2 (4)
C46—C45—C40—C39	0.7 (5)	C16—C17—C18—C19	2.8 (6)
C46—C45—C40—C41	−179.6 (3)	C27—C17—C18—N7	3.6 (6)
C46—C45—C44—C43	−179.5 (4)	C27—C17—C18—C19	−178.4 (4)
C13—C14—C26—C21	173.4 (3)	C27—C17—C16—C15	−179.1 (3)
C13—C14—C26—C25	−7.3 (5)	C44—C45—C40—C39	−179.2 (3)
C13—C14—C15—C20	−174.9 (3)	C44—C45—C40—C41	0.5 (5)
C13—C14—C15—C16	6.8 (5)	C44—C43—C42—C41	0.8 (7)
C13—C8—C9—C10	0.7 (6)	C49—C50—C51—C52	0.4 (6)
C13—C12—C11—C10	−0.6 (6)	C50—N9—C60—C61	178.7 (4)
C21—O3—C20—C15	−0.6 (5)	C30—C24—C23—N8	4.2 (5)
C21—O3—C20—C19	178.1 (3)	C30—C24—C23—C22	−176.7 (3)
C21—C26—C25—C24	−2.1 (5)	C30—C24—C25—C26	179.0 (3)
C6—N2—N3—C7	−174.0 (3)	C31—N8—C23—C24	176.9 (4)
C6—C5—C4—C3	−179.4 (4)	C31—N8—C23—C22	−2.2 (6)
C26—C14—C13—C8	106.2 (4)	C63—N10—C55—C54	8.0 (7)
C26—C14—C13—C12	−77.2 (4)	C63—N10—C55—C56	−173.7 (4)
C26—C14—C15—C20	−1.0 (5)	C28—N7—C18—C19	−7.1 (7)
C26—C14—C15—C16	−179.4 (3)	C28—N7—C18—C17	170.9 (4)
C26—C21—C22—C23	−1.4 (6)	C59—C49—C50—N9	−2.2 (6)
C47—C46—C45—C40	−94.0 (4)	C59—C49—C50—C51	177.1 (4)
C47—C46—C45—C44	85.9 (4)	C60—N9—C50—C49	174.6 (4)
C47—C52—C51—C50	2.3 (6)	C60—N9—C50—C51	−4.6 (7)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N8—H8···O6	0.86	2.14	2.913 (5)	150
N10—H10···O5	0.86	2.08	2.877 (5)	153
N7—H7···O14	0.86	2.33	2.951 (5)	129
C6—H6···O14^i	0.93	2.54	3.373 (5)	149
O5—H5···O11^ii	0.82	2.39	3.098 (8)	145
O5—H5···O12^ii	0.82	2.50	3.277 (9)	158
C19—H19···O10^iii	0.93	2.58	3.509 (6)	179
C4—H4···O13^i	0.93	2.49	3.323 (6)	150
O6—H6A···O7	0.82	2.30	2.919 (7)	133
C2—H2···O8^iv	0.93	2.41	3.107 (6)	132
C44—H44···O13^v	0.93	2.50	3.239 (6)	137
C12—H12···O3^vi	0.93	2.54	3.438 (5)	162
C28—H28A···O8^iii	0.97	2.54	3.382 (7)	146
C67—H67A···N6	0.97	2.36	3.281 (7)	159

Symmetry codes: (i) −x, −y+1, −z+1; (ii) x, y, z+1; (iii) −x+1, −y, −z+1; (iv) x, y+1, z; (v) x+1, y, z+1; (vi) −x, −y, −z+1.

Bis{N-[(6-bromopyridin-2-yl)methylidene]-2-[6-ethylamino-3-(ethyliminiumyl)-2,7-dimethyl-3H-xanthen-9-yl]benzene-1-carbohydrazonate}cobalt(II) bis(tetrafluoridoborate)–dichloromethane–methanol (1/1/2) (2)

Crystal data

[Co(C32H30BrN5O2)2](BF4)2·CH2Cl2·2CH4O	Z = 2
Mr = 1574.60	F(000) = 1606
Triclinic, P1	Dx = 1.515 Mg m^−3
a = 13.1820 (3) Å	Cu Kα radiation, λ = 1.54184 Å
b = 16.2426 (3) Å	Cell parameters from 12867 reflections
c = 17.7898 (3) Å	θ = 4.3–76.0°
α = 95.8495 (14)°	µ = 4.70 mm^−1
β = 107.3297 (16)°	T = 100 K
γ = 104.7128 (16)°	Block, clear orange
V = 3451.18 (11) Å^3	0.3 × 0.2 × 0.2 mm

Data collection

Rigaku OD SuperNova Dual source diffractometer with an AtlasS2 detector	13070 independent reflections
Radiation source: micro-focus sealed X-ray tube, SuperNova (Cu) X-ray Source	11725 reflections with I > 2σ(I)
Mirror monochromator	Rint = 0.032
Detector resolution: 5.2137 pixels mm^-1	θmax = 70.0°, θmin = 3.5°
ω scans	h = −16→16
Absorption correction: multi-scan (CrysAlis PRO; Rigaku OD, 2017)	k = −19→19
Tmin = 0.607, Tmax = 1.000	l = −21→15
24331 measured reflections

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.049	H-atom parameters constrained
wR(F^2) = 0.137	w = 1/[σ^2(Fo^2) + (0.0767P)^2 + 4.2094P] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max = 0.001
13070 reflections	Δρmax = 1.43 e Å^−3
923 parameters	Δρmin = −1.16 e Å^−3

Special details

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

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Co1	0.73545 (4)	0.58067 (3)	0.37985 (3)	0.01313 (11)
Br1	0.48426 (3)	0.45907 (3)	0.40664 (3)	0.03829 (12)
Br2	0.85935 (3)	0.42392 (2)	0.48070 (2)	0.02339 (9)
N1	0.6343 (2)	0.44558 (16)	0.33073 (15)	0.0168 (5)
N2	0.8155 (2)	0.53433 (16)	0.31085 (15)	0.0153 (5)
N3	0.9064 (2)	0.59119 (16)	0.30256 (15)	0.0166 (5)
N4	0.7953 (2)	0.57032 (16)	0.50743 (15)	0.0161 (5)
N5	0.6786 (2)	0.66609 (16)	0.43614 (15)	0.0155 (5)
N6	0.6139 (2)	0.70897 (16)	0.38973 (15)	0.0173 (5)
N7	1.0850 (2)	0.82666 (19)	0.74955 (16)	0.0249 (6)
H7	1.1424	0.8075	0.7690	0.030*
N8	0.6301 (2)	1.01007 (18)	0.32443 (17)	0.0228 (5)
H8	0.6047	1.0112	0.2730	0.027*
N9	0.2679 (3)	0.25194 (19)	0.08203 (19)	0.0338 (7)
H9	0.2053	0.2412	0.0928	0.041*
N10	0.9315 (3)	0.64350 (19)	0.0824 (2)	0.0318 (7)
H10	0.9736	0.6970	0.0885	0.038*
O1	0.87392 (18)	0.68391 (13)	0.39508 (13)	0.0191 (4)
O2	0.62230 (18)	0.61089 (13)	0.28928 (12)	0.0190 (4)
O3	0.86477 (17)	0.91361 (14)	0.52946 (12)	0.0183 (4)
O4	0.58811 (19)	0.45861 (14)	0.07600 (13)	0.0214 (4)
O5	1.1013 (3)	0.7886 (2)	0.0707 (2)	0.0549 (9)
H5	1.0953	0.7707	0.0231	0.082*
O6	0.4953 (3)	1.0432 (3)	0.17580 (18)	0.0603 (10)
H6A	0.4329	1.0381	0.1810	0.090*
Cl1	0.36095 (14)	0.76760 (11)	0.46623 (10)	0.0779 (4)
Cl2	0.29729 (11)	0.61450 (8)	0.34169 (10)	0.0656 (4)
B1	1.2065 (5)	0.7122 (3)	0.9092 (3)	0.0460 (13)
B2	0.2630 (4)	1.1135 (3)	0.2669 (3)	0.0324 (9)
F1	1.1762 (9)	0.6530 (7)	0.9523 (5)	0.094 (4)	0.561 (17)
F2	1.3297 (7)	0.7245 (9)	0.9283 (4)	0.068 (3)	0.561 (17)
F4	1.2026 (10)	0.7880 (7)	0.9469 (4)	0.061 (3)	0.561 (17)
F1A	1.1179 (19)	0.6930 (9)	0.9397 (10)	0.134 (8)	0.439 (17)
F2A	1.2650 (15)	0.6640 (8)	0.9285 (6)	0.096 (8)	0.439 (17)
F4A	1.2445 (9)	0.7998 (8)	0.9261 (9)	0.072 (3)	0.439 (17)
F3	1.1547 (3)	0.6923 (2)	0.82789 (14)	0.0566 (8)
F5	0.3106 (3)	1.1425 (2)	0.34795 (17)	0.0718 (9)
F6	0.3382 (2)	1.0840 (2)	0.23837 (18)	0.0538 (7)
F7	0.24318 (19)	1.18239 (15)	0.23005 (17)	0.0469 (6)
F8	0.16478 (19)	1.04844 (14)	0.24758 (16)	0.0408 (5)
C1	0.5421 (3)	0.3996 (2)	0.34021 (19)	0.0222 (6)
C2	0.4842 (3)	0.3137 (2)	0.3045 (2)	0.0273 (7)
H2	0.4200	0.2837	0.3156	0.033*
C3	0.5238 (3)	0.2738 (2)	0.25222 (19)	0.0245 (7)
H3	0.4874	0.2148	0.2267	0.029*
C4	0.6172 (3)	0.3204 (2)	0.23702 (18)	0.0204 (6)
H4	0.6434	0.2946	0.1992	0.024*
C5	0.6718 (2)	0.40552 (19)	0.27804 (17)	0.0165 (6)
C6	0.7730 (2)	0.45778 (19)	0.26759 (18)	0.0177 (6)
H6	0.8049	0.4366	0.2313	0.021*
C7	0.9262 (2)	0.66784 (19)	0.34841 (17)	0.0155 (5)
C8	1.0149 (2)	0.74102 (19)	0.34113 (17)	0.0161 (6)
C9	1.0830 (3)	0.7251 (2)	0.29835 (19)	0.0205 (6)
H9A	1.0754	0.6669	0.2771	0.025*
C10	1.1619 (3)	0.7923 (2)	0.2861 (2)	0.0242 (7)
H10A	1.2084	0.7801	0.2574	0.029*
C11	1.1721 (3)	0.8775 (2)	0.3161 (2)	0.0229 (6)
H11	1.2249	0.9239	0.3072	0.027*
C12	1.1048 (3)	0.8947 (2)	0.35911 (19)	0.0195 (6)
H12	1.1119	0.9532	0.3790	0.023*
C13	1.0272 (2)	0.82761 (19)	0.37357 (17)	0.0152 (5)
C14	0.9654 (2)	0.85261 (18)	0.42578 (18)	0.0155 (6)
C15	0.8784 (2)	0.88856 (18)	0.39709 (18)	0.0160 (6)
C16	0.8314 (2)	0.89565 (19)	0.31525 (18)	0.0181 (6)
H16	0.8592	0.8735	0.2766	0.022*
C17	0.7485 (2)	0.93274 (19)	0.29041 (18)	0.0185 (6)
C18	0.7067 (2)	0.96827 (19)	0.34835 (19)	0.0190 (6)
C19	0.7476 (3)	0.9589 (2)	0.42864 (19)	0.0195 (6)
H19	0.7183	0.9793	0.4671	0.023*
C20	0.8302 (2)	0.92008 (18)	0.45077 (17)	0.0161 (6)
C21	0.9497 (2)	0.87930 (18)	0.55859 (18)	0.0165 (6)
C22	0.9763 (3)	0.8749 (2)	0.63867 (19)	0.0197 (6)
H22	0.9384	0.8965	0.6702	0.024*
C23	1.0602 (3)	0.8380 (2)	0.67307 (18)	0.0199 (6)
C24	1.1198 (2)	0.80925 (19)	0.62430 (19)	0.0184 (6)
C25	1.0904 (2)	0.81530 (19)	0.54580 (18)	0.0176 (6)
H25	1.1298	0.7958	0.5144	0.021*
C26	1.0028 (2)	0.84963 (18)	0.50824 (18)	0.0162 (6)
C27	0.6992 (3)	0.9388 (2)	0.20430 (19)	0.0247 (7)
H27A	0.6194	0.9074	0.1845	0.037*
H27B	0.7362	0.9131	0.1721	0.037*
H27C	0.7097	0.9998	0.2000	0.037*
C28	0.5860 (3)	1.0536 (2)	0.3772 (2)	0.0274 (7)
H28A	0.5623	1.1010	0.3534	0.033*
H28B	0.6460	1.0799	0.4294	0.033*
C29	0.4883 (3)	0.9934 (3)	0.3916 (2)	0.0370 (8)
H29A	0.4279	0.9679	0.3403	0.055*
H29B	0.4622	1.0261	0.4273	0.055*
H29C	0.5116	0.9471	0.4165	0.055*
C30	1.2107 (3)	0.7709 (2)	0.66154 (19)	0.0237 (6)
H30A	1.1791	0.7175	0.6785	0.036*
H30B	1.2667	0.8126	0.7083	0.036*
H30C	1.2456	0.7576	0.6222	0.036*
C31	1.0241 (3)	0.8437 (2)	0.8027 (2)	0.0274 (7)
H31A	1.0276	0.8029	0.8405	0.033*
H31B	0.9449	0.8327	0.7703	0.033*
C32	1.0702 (3)	0.9362 (3)	0.8502 (2)	0.0417 (10)
H32A	1.0659	0.9768	0.8130	0.063*
H32B	1.1481	0.9469	0.8835	0.063*
H32C	1.0264	0.9444	0.8846	0.063*
C33	0.8567 (2)	0.5230 (2)	0.54457 (18)	0.0187 (6)
C34	0.9168 (3)	0.5409 (2)	0.62615 (19)	0.0227 (6)
H34	0.9621	0.5066	0.6490	0.027*
C35	0.9084 (3)	0.6107 (2)	0.67284 (19)	0.0248 (7)
H35	0.9486	0.6255	0.7288	0.030*
C36	0.8404 (3)	0.6590 (2)	0.63714 (19)	0.0219 (6)
H36	0.8310	0.7054	0.6688	0.026*
C37	0.7867 (2)	0.63832 (19)	0.55459 (18)	0.0176 (6)
C38	0.7173 (2)	0.68845 (19)	0.51310 (18)	0.0180 (6)
H38	0.7020	0.7343	0.5410	0.022*
C39	0.5910 (2)	0.67350 (18)	0.31311 (18)	0.0167 (6)
C40	0.5215 (2)	0.70879 (19)	0.24975 (18)	0.0168 (6)
C41	0.4829 (3)	0.7775 (2)	0.26929 (19)	0.0207 (6)
H41	0.5020	0.8033	0.3239	0.025*
C42	0.4165 (3)	0.8085 (2)	0.2092 (2)	0.0250 (7)
H42	0.3900	0.8552	0.2228	0.030*
C43	0.3891 (3)	0.7710 (2)	0.1291 (2)	0.0269 (7)
H43	0.3439	0.7923	0.0881	0.032*
C44	0.4273 (3)	0.7030 (2)	0.1089 (2)	0.0238 (6)
H44	0.4081	0.6775	0.0541	0.029*
C45	0.4940 (2)	0.67149 (19)	0.16883 (18)	0.0175 (6)
C46	0.5309 (2)	0.59787 (19)	0.14141 (17)	0.0176 (6)
C47	0.6287 (2)	0.61252 (19)	0.12226 (17)	0.0175 (6)
C48	0.7065 (3)	0.69576 (19)	0.13478 (17)	0.0174 (6)
H48	0.6891	0.7454	0.1537	0.021*
C49	0.8046 (3)	0.7073 (2)	0.12085 (18)	0.0194 (6)
C50	0.8330 (3)	0.6318 (2)	0.09377 (19)	0.0223 (6)
C51	0.7569 (3)	0.5487 (2)	0.07965 (18)	0.0220 (6)
H51	0.7740	0.4986	0.0612	0.026*
C52	0.6584 (3)	0.54092 (19)	0.09271 (17)	0.0192 (6)
C53	0.4918 (3)	0.4434 (2)	0.09308 (17)	0.0199 (6)
C54	0.4281 (3)	0.3575 (2)	0.07636 (18)	0.0224 (6)
H54	0.4499	0.3138	0.0511	0.027*
C55	0.3322 (3)	0.3356 (2)	0.09668 (19)	0.0261 (7)
C56	0.3003 (3)	0.4027 (2)	0.1351 (2)	0.0262 (7)
C57	0.3634 (3)	0.4871 (2)	0.14754 (19)	0.0224 (6)
H57	0.3404	0.5312	0.1708	0.027*
C58	0.4612 (3)	0.5114 (2)	0.12723 (18)	0.0193 (6)
C59	0.8856 (3)	0.7957 (2)	0.13296 (19)	0.0213 (6)
H59A	0.8517	0.8404	0.1448	0.032*
H59B	0.9042	0.8021	0.0841	0.032*
H59C	0.9535	0.8021	0.1779	0.032*
C60	0.9727 (4)	0.5729 (3)	0.0605 (3)	0.0443 (10)
H60A	1.0280	0.5938	0.0340	0.053*
H60B	0.9102	0.5255	0.0217	0.053*
C61	1.0244 (5)	0.5392 (4)	0.1303 (3)	0.0655 (15)
H61A	1.0292	0.4816	0.1126	0.098*
H61B	0.9792	0.5349	0.1655	0.098*
H61C	1.0993	0.5785	0.1596	0.098*
C62	0.1995 (3)	0.3777 (3)	0.1602 (3)	0.0380 (9)
H62A	0.1909	0.4297	0.1876	0.057*
H62B	0.2083	0.3368	0.1966	0.057*
H62C	0.1333	0.3505	0.1126	0.057*
C63	0.2975 (4)	0.1796 (2)	0.0496 (2)	0.0368 (9)
H63A	0.3696	0.1777	0.0863	0.044*
H63B	0.3060	0.1873	−0.0029	0.044*
C64	0.2081 (4)	0.0951 (3)	0.0392 (3)	0.0481 (12)
H64A	0.1362	0.0980	0.0046	0.072*
H64B	0.2032	0.0858	0.0917	0.072*
H64C	0.2271	0.0470	0.0146	0.072*
C65	1.1436 (4)	0.8792 (3)	0.0891 (3)	0.0434 (10)
H65A	1.1092	0.9032	0.0431	0.065*
H65B	1.2244	0.8965	0.1013	0.065*
H65C	1.1266	0.9014	0.1358	0.065*
C66	0.4824 (7)	1.0272 (5)	0.0938 (3)	0.086 (2)
H66A	0.4045	0.9954	0.0628	0.128*
H66B	0.5304	0.9927	0.0852	0.128*
H66C	0.5032	1.0825	0.0764	0.128*
C67	0.3882 (5)	0.6714 (4)	0.4391 (4)	0.0669 (16)
H67A	0.3794	0.6339	0.4787	0.080*
H67B	0.4662	0.6848	0.4401	0.080*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.0130 (2)	0.0141 (2)	0.0127 (2)	0.00330 (17)	0.00610 (18)	0.00073 (17)
Br1	0.0334 (2)	0.0309 (2)	0.0544 (3)	−0.00025 (15)	0.03232 (19)	−0.00306 (17)
Br2	0.02712 (17)	0.02236 (17)	0.02187 (17)	0.01075 (13)	0.00747 (13)	0.00319 (12)
N1	0.0161 (11)	0.0181 (12)	0.0155 (11)	0.0042 (9)	0.0053 (9)	0.0027 (9)
N2	0.0155 (11)	0.0147 (11)	0.0171 (12)	0.0050 (9)	0.0074 (9)	0.0023 (9)
N3	0.0168 (12)	0.0156 (12)	0.0195 (12)	0.0040 (9)	0.0100 (10)	0.0025 (9)
N4	0.0159 (11)	0.0167 (12)	0.0156 (12)	0.0022 (9)	0.0077 (9)	0.0018 (9)
N5	0.0145 (11)	0.0155 (11)	0.0158 (12)	0.0019 (9)	0.0069 (9)	0.0012 (9)
N6	0.0173 (12)	0.0176 (12)	0.0178 (12)	0.0063 (10)	0.0069 (10)	0.0012 (9)
N7	0.0278 (14)	0.0327 (15)	0.0182 (13)	0.0161 (12)	0.0072 (11)	0.0054 (11)
N8	0.0218 (13)	0.0271 (14)	0.0214 (13)	0.0122 (11)	0.0061 (11)	0.0038 (11)
N9	0.0386 (17)	0.0199 (14)	0.0343 (16)	−0.0003 (12)	0.0070 (14)	0.0066 (12)
N10	0.0347 (16)	0.0235 (14)	0.0468 (18)	0.0105 (12)	0.0280 (15)	0.0011 (13)
O1	0.0197 (10)	0.0170 (10)	0.0214 (10)	0.0009 (8)	0.0134 (9)	−0.0010 (8)
O2	0.0222 (10)	0.0182 (10)	0.0164 (10)	0.0081 (8)	0.0056 (8)	−0.0001 (8)
O3	0.0194 (10)	0.0208 (10)	0.0166 (10)	0.0093 (8)	0.0069 (8)	0.0008 (8)
O4	0.0282 (11)	0.0158 (10)	0.0185 (10)	0.0068 (9)	0.0070 (9)	−0.0018 (8)
O5	0.064 (2)	0.0357 (16)	0.076 (2)	0.0028 (15)	0.052 (2)	0.0028 (15)
O6	0.079 (2)	0.101 (3)	0.0319 (15)	0.071 (2)	0.0235 (16)	0.0196 (17)
Cl1	0.0729 (9)	0.0761 (10)	0.0783 (10)	0.0187 (8)	0.0261 (8)	−0.0058 (8)
Cl2	0.0511 (7)	0.0456 (6)	0.1033 (11)	0.0112 (5)	0.0362 (7)	0.0061 (6)
B1	0.086 (4)	0.047 (3)	0.026 (2)	0.045 (3)	0.026 (2)	0.0115 (19)
B2	0.0269 (19)	0.030 (2)	0.041 (2)	0.0049 (16)	0.0136 (17)	0.0124 (17)
F1	0.116 (8)	0.093 (7)	0.046 (4)	0.001 (6)	0.006 (4)	0.037 (4)
F2	0.070 (4)	0.139 (9)	0.031 (3)	0.072 (5)	0.028 (3)	0.028 (4)
F4	0.086 (6)	0.068 (5)	0.030 (3)	0.057 (5)	0.000 (3)	−0.013 (3)
F1A	0.228 (18)	0.097 (9)	0.122 (11)	0.021 (10)	0.147 (13)	0.015 (8)
F2A	0.147 (14)	0.076 (9)	0.043 (4)	0.090 (10)	−0.040 (6)	−0.019 (5)
F4A	0.057 (6)	0.055 (5)	0.081 (8)	0.004 (4)	0.006 (5)	0.002 (5)
F3	0.088 (2)	0.0722 (18)	0.0287 (12)	0.0606 (17)	0.0164 (13)	0.0105 (12)
F5	0.088 (2)	0.078 (2)	0.0362 (15)	0.0192 (18)	0.0089 (15)	0.0032 (14)
F6	0.0363 (13)	0.0726 (18)	0.0706 (18)	0.0267 (13)	0.0294 (13)	0.0306 (15)
F7	0.0320 (12)	0.0351 (12)	0.0702 (17)	0.0040 (9)	0.0116 (11)	0.0276 (12)
F8	0.0319 (11)	0.0240 (10)	0.0717 (16)	0.0064 (9)	0.0245 (11)	0.0154 (10)
C1	0.0210 (15)	0.0239 (16)	0.0219 (15)	0.0058 (12)	0.0085 (12)	0.0040 (12)
C2	0.0209 (15)	0.0247 (17)	0.0316 (18)	−0.0011 (13)	0.0090 (13)	0.0046 (13)
C3	0.0241 (16)	0.0166 (14)	0.0227 (15)	−0.0007 (12)	0.0004 (13)	0.0007 (12)
C4	0.0257 (15)	0.0188 (14)	0.0171 (14)	0.0088 (12)	0.0058 (12)	0.0038 (11)
C5	0.0184 (14)	0.0170 (14)	0.0157 (13)	0.0071 (11)	0.0061 (11)	0.0039 (11)
C6	0.0199 (14)	0.0167 (14)	0.0195 (14)	0.0070 (11)	0.0100 (12)	0.0025 (11)
C7	0.0152 (13)	0.0182 (14)	0.0143 (13)	0.0052 (11)	0.0063 (11)	0.0036 (11)
C8	0.0144 (13)	0.0171 (14)	0.0177 (14)	0.0046 (11)	0.0069 (11)	0.0034 (11)
C9	0.0195 (14)	0.0205 (15)	0.0254 (16)	0.0076 (12)	0.0119 (12)	0.0048 (12)
C10	0.0223 (15)	0.0272 (16)	0.0317 (17)	0.0091 (13)	0.0190 (14)	0.0083 (13)
C11	0.0194 (14)	0.0232 (16)	0.0300 (16)	0.0036 (12)	0.0145 (13)	0.0098 (13)
C12	0.0187 (14)	0.0161 (14)	0.0241 (15)	0.0049 (11)	0.0078 (12)	0.0039 (11)
C13	0.0137 (13)	0.0175 (14)	0.0150 (13)	0.0055 (11)	0.0049 (11)	0.0027 (11)
C14	0.0140 (13)	0.0108 (13)	0.0198 (14)	0.0001 (10)	0.0067 (11)	0.0003 (10)
C15	0.0149 (13)	0.0137 (13)	0.0188 (14)	0.0029 (10)	0.0064 (11)	0.0012 (11)
C16	0.0176 (14)	0.0185 (14)	0.0193 (14)	0.0043 (11)	0.0088 (11)	0.0044 (11)
C17	0.0175 (14)	0.0179 (14)	0.0198 (15)	0.0038 (11)	0.0072 (12)	0.0036 (11)
C18	0.0163 (13)	0.0160 (14)	0.0229 (15)	0.0042 (11)	0.0058 (12)	0.0007 (11)
C19	0.0180 (14)	0.0187 (14)	0.0219 (15)	0.0066 (11)	0.0074 (12)	−0.0011 (11)
C20	0.0155 (13)	0.0124 (13)	0.0166 (13)	0.0015 (10)	0.0039 (11)	−0.0015 (10)
C21	0.0153 (13)	0.0137 (13)	0.0193 (14)	0.0042 (11)	0.0055 (11)	−0.0001 (11)
C22	0.0205 (14)	0.0194 (14)	0.0199 (15)	0.0075 (12)	0.0079 (12)	−0.0002 (11)
C23	0.0215 (14)	0.0180 (14)	0.0187 (14)	0.0056 (12)	0.0052 (12)	0.0018 (11)
C24	0.0174 (14)	0.0143 (13)	0.0220 (15)	0.0040 (11)	0.0060 (12)	0.0007 (11)
C25	0.0141 (13)	0.0162 (14)	0.0223 (15)	0.0037 (11)	0.0073 (11)	0.0011 (11)
C26	0.0150 (13)	0.0144 (13)	0.0180 (14)	0.0031 (11)	0.0059 (11)	0.0005 (11)
C27	0.0243 (15)	0.0320 (17)	0.0217 (16)	0.0133 (13)	0.0088 (13)	0.0072 (13)
C28	0.0262 (16)	0.0301 (17)	0.0290 (17)	0.0167 (14)	0.0082 (14)	0.0013 (14)
C29	0.0328 (19)	0.045 (2)	0.037 (2)	0.0147 (17)	0.0166 (16)	0.0016 (17)
C30	0.0236 (15)	0.0255 (16)	0.0215 (15)	0.0093 (13)	0.0056 (12)	0.0038 (12)
C31	0.0282 (17)	0.0348 (19)	0.0212 (16)	0.0125 (14)	0.0089 (13)	0.0048 (13)
C32	0.032 (2)	0.052 (3)	0.032 (2)	0.0077 (18)	0.0090 (16)	−0.0129 (18)
C33	0.0149 (13)	0.0217 (15)	0.0186 (14)	0.0021 (11)	0.0070 (11)	0.0048 (11)
C34	0.0196 (14)	0.0284 (16)	0.0188 (15)	0.0062 (12)	0.0053 (12)	0.0048 (12)
C35	0.0227 (15)	0.0307 (17)	0.0165 (14)	0.0030 (13)	0.0050 (12)	0.0015 (12)
C36	0.0218 (15)	0.0229 (15)	0.0184 (15)	0.0028 (12)	0.0076 (12)	−0.0005 (12)
C37	0.0155 (13)	0.0189 (14)	0.0168 (14)	0.0012 (11)	0.0073 (11)	0.0009 (11)
C38	0.0181 (14)	0.0194 (14)	0.0164 (14)	0.0031 (11)	0.0092 (11)	−0.0005 (11)
C39	0.0174 (13)	0.0141 (13)	0.0189 (14)	0.0030 (11)	0.0082 (11)	0.0024 (11)
C40	0.0146 (13)	0.0159 (13)	0.0193 (14)	0.0024 (11)	0.0071 (11)	0.0029 (11)
C41	0.0197 (14)	0.0188 (14)	0.0234 (15)	0.0058 (12)	0.0081 (12)	0.0012 (12)
C42	0.0226 (15)	0.0213 (15)	0.0332 (18)	0.0114 (12)	0.0090 (13)	0.0034 (13)
C43	0.0229 (15)	0.0285 (17)	0.0299 (17)	0.0136 (13)	0.0046 (13)	0.0070 (14)
C44	0.0228 (15)	0.0242 (16)	0.0211 (15)	0.0085 (13)	0.0023 (12)	0.0018 (12)
C45	0.0147 (13)	0.0155 (13)	0.0198 (14)	0.0022 (11)	0.0045 (11)	0.0018 (11)
C46	0.0195 (14)	0.0189 (14)	0.0119 (13)	0.0062 (11)	0.0012 (11)	0.0025 (11)
C47	0.0200 (14)	0.0187 (14)	0.0135 (13)	0.0075 (12)	0.0037 (11)	0.0024 (11)
C48	0.0224 (14)	0.0180 (14)	0.0130 (13)	0.0090 (12)	0.0054 (11)	0.0023 (11)
C49	0.0235 (15)	0.0210 (15)	0.0148 (13)	0.0084 (12)	0.0067 (12)	0.0030 (11)
C50	0.0277 (16)	0.0234 (16)	0.0204 (15)	0.0101 (13)	0.0126 (13)	0.0034 (12)
C51	0.0302 (16)	0.0202 (15)	0.0178 (14)	0.0110 (13)	0.0100 (13)	−0.0013 (11)
C52	0.0265 (15)	0.0174 (14)	0.0116 (13)	0.0069 (12)	0.0035 (12)	0.0009 (11)
C53	0.0229 (15)	0.0207 (15)	0.0135 (13)	0.0072 (12)	0.0020 (11)	0.0030 (11)
C54	0.0304 (16)	0.0157 (14)	0.0157 (14)	0.0071 (12)	0.0007 (12)	0.0004 (11)
C55	0.0311 (17)	0.0214 (16)	0.0200 (15)	0.0041 (13)	0.0025 (13)	0.0061 (12)
C56	0.0259 (16)	0.0243 (16)	0.0251 (16)	0.0043 (13)	0.0057 (13)	0.0072 (13)
C57	0.0235 (15)	0.0209 (15)	0.0200 (15)	0.0062 (12)	0.0037 (12)	0.0046 (12)
C58	0.0236 (15)	0.0170 (14)	0.0149 (13)	0.0057 (12)	0.0038 (12)	0.0020 (11)
C59	0.0243 (15)	0.0222 (15)	0.0220 (15)	0.0093 (12)	0.0123 (12)	0.0050 (12)
C60	0.042 (2)	0.036 (2)	0.066 (3)	0.0192 (18)	0.033 (2)	−0.002 (2)
C61	0.084 (4)	0.067 (3)	0.053 (3)	0.045 (3)	0.020 (3)	−0.003 (3)
C62	0.038 (2)	0.0278 (19)	0.049 (2)	0.0036 (15)	0.0206 (18)	0.0110 (17)
C63	0.049 (2)	0.0186 (17)	0.0302 (18)	0.0056 (16)	0.0004 (17)	0.0029 (14)
C64	0.064 (3)	0.0215 (18)	0.036 (2)	−0.0025 (18)	−0.002 (2)	0.0064 (16)
C65	0.045 (2)	0.035 (2)	0.058 (3)	0.0108 (18)	0.028 (2)	0.0163 (19)
C66	0.110 (5)	0.133 (6)	0.049 (3)	0.088 (5)	0.031 (3)	0.030 (4)
C67	0.054 (3)	0.097 (5)	0.074 (4)	0.037 (3)	0.036 (3)	0.040 (3)

Geometric parameters (Å, º)

Co1—N1	2.187 (3)	C24—C25	1.355 (4)
Co1—N2	2.043 (2)	C24—C30	1.501 (4)
Co1—N4	2.209 (2)	C25—H25	0.9500
Co1—N5	2.045 (2)	C25—C26	1.426 (4)
Co1—O1	2.068 (2)	C27—H27A	0.9800
Co1—O2	2.040 (2)	C27—H27B	0.9800
Br1—C1	1.894 (3)	C27—H27C	0.9800
Br2—C33	1.887 (3)	C28—H28A	0.9900
N1—C1	1.323 (4)	C28—H28B	0.9900
N1—C5	1.364 (4)	C28—C29	1.512 (5)
N2—N3	1.371 (3)	C29—H29A	0.9800
N2—C6	1.283 (4)	C29—H29B	0.9800
N3—C7	1.336 (4)	C29—H29C	0.9800
N4—C33	1.335 (4)	C30—H30A	0.9800
N4—C37	1.367 (4)	C30—H30B	0.9800
N5—N6	1.376 (4)	C30—H30C	0.9800
N5—C38	1.286 (4)	C31—H31A	0.9900
N6—C39	1.337 (4)	C31—H31B	0.9900
N7—H7	0.8800	C31—C32	1.521 (5)
N7—C23	1.345 (4)	C32—H32A	0.9800
N7—C31	1.458 (4)	C32—H32B	0.9800
N8—H8	0.8800	C32—H32C	0.9800
N8—C18	1.347 (4)	C33—C34	1.390 (4)
N8—C28	1.455 (4)	C34—H34	0.9500
N9—H9	0.8800	C34—C35	1.383 (5)
N9—C55	1.358 (4)	C35—H35	0.9500
N9—C63	1.447 (5)	C35—C36	1.393 (5)
N10—H10	0.8800	C36—H36	0.9500
N10—C50	1.343 (4)	C36—C37	1.389 (4)
N10—C60	1.454 (4)	C37—C38	1.463 (4)
O1—C7	1.273 (4)	C38—H38	0.9500
O2—C39	1.270 (4)	C39—C40	1.491 (4)
O3—C20	1.361 (4)	C40—C41	1.393 (4)
O3—C21	1.365 (4)	C40—C45	1.404 (4)
O4—C52	1.364 (4)	C41—H41	0.9500
O4—C53	1.360 (4)	C41—C42	1.393 (5)
O5—H5	0.8400	C42—H42	0.9500
O5—C65	1.401 (5)	C42—C43	1.391 (5)
O6—H6A	0.8400	C43—H43	0.9500
O6—C66	1.405 (6)	C43—C44	1.384 (5)
Cl1—C67	1.743 (6)	C44—H44	0.9500
Cl2—C67	1.779 (7)	C44—C45	1.397 (4)
B1—F1	1.344 (9)	C45—C46	1.491 (4)
B1—F2	1.512 (9)	C46—C47	1.399 (4)
B1—F4	1.360 (8)	C46—C58	1.420 (4)
B1—F1A	1.407 (14)	C47—C48	1.424 (4)
B1—F2A	1.236 (9)	C47—C52	1.418 (4)
B1—F4A	1.353 (13)	C48—H48	0.9500
B1—F3	1.367 (5)	C48—C49	1.359 (4)
B2—F5	1.366 (6)	C49—C50	1.447 (4)
B2—F6	1.401 (5)	C49—C59	1.506 (4)
B2—F7	1.395 (5)	C50—C51	1.409 (5)
B2—F8	1.370 (5)	C51—H51	0.9500
C1—C2	1.387 (5)	C51—C52	1.363 (5)
C2—H2	0.9500	C53—C54	1.383 (4)
C2—C3	1.377 (5)	C53—C58	1.409 (4)
C3—H3	0.9500	C54—H54	0.9500
C3—C4	1.389 (5)	C54—C55	1.387 (5)
C4—H4	0.9500	C55—C56	1.444 (5)
C4—C5	1.392 (4)	C56—C57	1.367 (5)
C5—C6	1.462 (4)	C56—C62	1.499 (5)
C6—H6	0.9500	C57—H57	0.9500
C7—C8	1.487 (4)	C57—C58	1.414 (5)
C8—C9	1.393 (4)	C59—H59A	0.9800
C8—C13	1.414 (4)	C59—H59B	0.9800
C9—H9A	0.9500	C59—H59C	0.9800
C9—C10	1.388 (4)	C60—H60A	0.9900
C10—H10A	0.9500	C60—H60B	0.9900
C10—C11	1.389 (5)	C60—C61	1.458 (7)
C11—H11	0.9500	C61—H61A	0.9800
C11—C12	1.392 (4)	C61—H61B	0.9800
C12—H12	0.9500	C61—H61C	0.9800
C12—C13	1.396 (4)	C62—H62A	0.9800
C13—C14	1.494 (4)	C62—H62B	0.9800
C14—C15	1.404 (4)	C62—H62C	0.9800
C14—C26	1.412 (4)	C63—H63A	0.9900
C15—C16	1.432 (4)	C63—H63B	0.9900
C15—C20	1.416 (4)	C63—C64	1.518 (5)
C16—H16	0.9500	C64—H64A	0.9800
C16—C17	1.361 (4)	C64—H64B	0.9800
C17—C18	1.441 (4)	C64—H64C	0.9800
C17—C27	1.500 (4)	C65—H65A	0.9800
C18—C19	1.407 (4)	C65—H65B	0.9800
C19—H19	0.9500	C65—H65C	0.9800
C19—C20	1.372 (4)	C66—H66A	0.9800
C21—C22	1.376 (4)	C66—H66B	0.9800
C21—C26	1.407 (4)	C66—H66C	0.9800
C22—H22	0.9500	C67—H67A	0.9900
C22—C23	1.401 (4)	C67—H67B	0.9900
C23—C24	1.448 (4)
N1—Co1—N4	98.15 (9)	C28—C29—H29B	109.5
N2—Co1—N1	75.81 (10)	C28—C29—H29C	109.5
N2—Co1—N4	114.92 (10)	H29A—C29—H29B	109.5
N2—Co1—N5	159.69 (10)	H29A—C29—H29C	109.5
N2—Co1—O1	75.69 (9)	H29B—C29—H29C	109.5
N5—Co1—N1	121.20 (10)	C24—C30—H30A	109.5
N5—Co1—N4	75.84 (10)	C24—C30—H30B	109.5
N5—Co1—O1	87.12 (9)	C24—C30—H30C	109.5
O1—Co1—N1	151.44 (9)	H30A—C30—H30B	109.5
O1—Co1—N4	92.07 (9)	H30A—C30—H30C	109.5
O2—Co1—N1	86.02 (9)	H30B—C30—H30C	109.5
O2—Co1—N2	96.67 (9)	N7—C31—H31A	109.1
O2—Co1—N4	148.25 (9)	N7—C31—H31B	109.1
O2—Co1—N5	75.17 (9)	N7—C31—C32	112.6 (3)
O2—Co1—O1	99.14 (9)	H31A—C31—H31B	107.8
C1—N1—Co1	131.1 (2)	C32—C31—H31A	109.1
C1—N1—C5	116.5 (3)	C32—C31—H31B	109.1
C5—N1—Co1	112.28 (19)	C31—C32—H32A	109.5
N3—N2—Co1	118.11 (18)	C31—C32—H32B	109.5
C6—N2—Co1	120.6 (2)	C31—C32—H32C	109.5
C6—N2—N3	120.5 (2)	H32A—C32—H32B	109.5
C7—N3—N2	107.9 (2)	H32A—C32—H32C	109.5
C33—N4—Co1	131.2 (2)	H32B—C32—H32C	109.5
C33—N4—C37	116.9 (3)	N4—C33—Br2	116.9 (2)
C37—N4—Co1	110.16 (19)	N4—C33—C34	124.8 (3)
N6—N5—Co1	118.14 (18)	C34—C33—Br2	118.3 (2)
C38—N5—Co1	119.7 (2)	C33—C34—H34	121.3
C38—N5—N6	121.2 (3)	C35—C34—C33	117.5 (3)
C39—N6—N5	107.0 (2)	C35—C34—H34	121.3
C23—N7—H7	117.5	C34—C35—H35	120.2
C23—N7—C31	125.0 (3)	C34—C35—C36	119.5 (3)
C31—N7—H7	117.5	C36—C35—H35	120.2
C18—N8—H8	117.5	C35—C36—H36	120.5
C18—N8—C28	124.9 (3)	C37—C36—C35	119.0 (3)
C28—N8—H8	117.5	C37—C36—H36	120.5
C55—N9—H9	118.5	N4—C37—C36	122.2 (3)
C55—N9—C63	123.0 (3)	N4—C37—C38	116.1 (3)
C63—N9—H9	118.5	C36—C37—C38	121.7 (3)
C50—N10—H10	118.1	N5—C38—C37	115.3 (3)
C50—N10—C60	123.8 (3)	N5—C38—H38	122.4
C60—N10—H10	118.1	C37—C38—H38	122.4
C7—O1—Co1	111.58 (18)	N6—C39—C40	117.9 (3)
C39—O2—Co1	112.79 (18)	O2—C39—N6	125.5 (3)
C20—O3—C21	120.3 (2)	O2—C39—C40	116.6 (3)
C53—O4—C52	120.2 (2)	C41—C40—C39	121.3 (3)
C65—O5—H5	109.5	C41—C40—C45	119.5 (3)
C66—O6—H6A	109.5	C45—C40—C39	119.1 (3)
F1—B1—F2	103.6 (6)	C40—C41—H41	119.8
F1—B1—F4	105.1 (7)	C40—C41—C42	120.4 (3)
F1—B1—F3	117.8 (6)	C42—C41—H41	119.8
F4—B1—F2	103.8 (6)	C41—C42—H42	120.1
F4—B1—F3	115.6 (5)	C43—C42—C41	119.8 (3)
F2A—B1—F1A	110.0 (10)	C43—C42—H42	120.1
F2A—B1—F4A	124.6 (10)	C42—C43—H43	119.8
F2A—B1—F3	108.8 (5)	C44—C43—C42	120.3 (3)
F4A—B1—F1A	103.7 (8)	C44—C43—H43	119.8
F4A—B1—F3	104.1 (7)	C43—C44—H44	119.9
F3—B1—F2	109.4 (4)	C43—C44—C45	120.2 (3)
F3—B1—F1A	103.7 (10)	C45—C44—H44	119.9
F5—B2—F6	108.7 (4)	C40—C45—C46	123.9 (3)
F5—B2—F7	109.3 (4)	C44—C45—C40	119.7 (3)
F5—B2—F8	111.6 (4)	C44—C45—C46	116.4 (3)
F7—B2—F6	107.7 (3)	C47—C46—C45	121.1 (3)
F8—B2—F6	110.1 (3)	C47—C46—C58	118.8 (3)
F8—B2—F7	109.3 (3)	C58—C46—C45	119.9 (3)
N1—C1—Br1	116.0 (2)	C46—C47—C48	124.3 (3)
N1—C1—C2	125.7 (3)	C46—C47—C52	119.5 (3)
C2—C1—Br1	118.3 (2)	C52—C47—C48	116.0 (3)
C1—C2—H2	121.5	C47—C48—H48	118.5
C3—C2—C1	117.1 (3)	C49—C48—C47	122.9 (3)
C3—C2—H2	121.5	C49—C48—H48	118.5
C2—C3—H3	120.2	C48—C49—C50	118.9 (3)
C2—C3—C4	119.5 (3)	C48—C49—C59	122.6 (3)
C4—C3—H3	120.2	C50—C49—C59	118.6 (3)
C3—C4—H4	120.5	N10—C50—C49	118.6 (3)
C3—C4—C5	119.0 (3)	N10—C50—C51	121.9 (3)
C5—C4—H4	120.5	C51—C50—C49	119.5 (3)
N1—C5—C4	122.1 (3)	C50—C51—H51	120.4
N1—C5—C6	115.6 (3)	C52—C51—C50	119.2 (3)
C4—C5—C6	122.3 (3)	C52—C51—H51	120.4
N2—C6—C5	115.3 (3)	O4—C52—C47	120.8 (3)
N2—C6—H6	122.4	C51—C52—O4	115.8 (3)
C5—C6—H6	122.4	C51—C52—C47	123.4 (3)
N3—C7—C8	116.1 (3)	O4—C53—C54	115.8 (3)
O1—C7—N3	126.0 (3)	O4—C53—C58	121.5 (3)
O1—C7—C8	117.9 (3)	C54—C53—C58	122.8 (3)
C9—C8—C7	120.0 (3)	C53—C54—H54	120.2
C9—C8—C13	119.2 (3)	C53—C54—C55	119.5 (3)
C13—C8—C7	120.7 (3)	C55—C54—H54	120.2
C8—C9—H9A	119.3	N9—C55—C54	121.4 (3)
C10—C9—C8	121.5 (3)	N9—C55—C56	118.9 (3)
C10—C9—H9A	119.3	C54—C55—C56	119.6 (3)
C9—C10—H10A	120.3	C55—C56—C62	119.1 (3)
C9—C10—C11	119.4 (3)	C57—C56—C55	118.8 (3)
C11—C10—H10A	120.3	C57—C56—C62	122.1 (3)
C10—C11—H11	120.0	C56—C57—H57	118.6
C10—C11—C12	120.0 (3)	C56—C57—C58	122.8 (3)
C12—C11—H11	120.0	C58—C57—H57	118.6
C11—C12—H12	119.4	C53—C58—C46	119.0 (3)
C11—C12—C13	121.1 (3)	C53—C58—C57	116.4 (3)
C13—C12—H12	119.4	C57—C58—C46	124.6 (3)
C8—C13—C14	124.2 (3)	C49—C59—H59A	109.5
C12—C13—C8	118.8 (3)	C49—C59—H59B	109.5
C12—C13—C14	117.0 (3)	C49—C59—H59C	109.5
C15—C14—C13	121.5 (3)	H59A—C59—H59B	109.5
C15—C14—C26	118.4 (3)	H59A—C59—H59C	109.5
C26—C14—C13	119.7 (3)	H59B—C59—H59C	109.5
C14—C15—C16	124.8 (3)	N10—C60—H60A	109.2
C14—C15—C20	119.7 (3)	N10—C60—H60B	109.2
C20—C15—C16	115.5 (3)	N10—C60—C61	111.9 (4)
C15—C16—H16	118.6	H60A—C60—H60B	107.9
C17—C16—C15	122.8 (3)	C61—C60—H60A	109.2
C17—C16—H16	118.6	C61—C60—H60B	109.2
C16—C17—C18	119.4 (3)	C60—C61—H61A	109.5
C16—C17—C27	122.2 (3)	C60—C61—H61B	109.5
C18—C17—C27	118.4 (3)	C60—C61—H61C	109.5
N8—C18—C17	119.2 (3)	H61A—C61—H61B	109.5
N8—C18—C19	121.7 (3)	H61A—C61—H61C	109.5
C19—C18—C17	119.1 (3)	H61B—C61—H61C	109.5
C18—C19—H19	120.3	C56—C62—H62A	109.5
C20—C19—C18	119.3 (3)	C56—C62—H62B	109.5
C20—C19—H19	120.3	C56—C62—H62C	109.5
O3—C20—C15	120.9 (3)	H62A—C62—H62B	109.5
O3—C20—C19	115.5 (3)	H62A—C62—H62C	109.5
C19—C20—C15	123.7 (3)	H62B—C62—H62C	109.5
O3—C21—C22	115.1 (3)	N9—C63—H63A	109.6
O3—C21—C26	121.0 (3)	N9—C63—H63B	109.6
C22—C21—C26	123.9 (3)	N9—C63—C64	110.2 (4)
C21—C22—H22	120.5	H63A—C63—H63B	108.1
C21—C22—C23	119.0 (3)	C64—C63—H63A	109.6
C23—C22—H22	120.5	C64—C63—H63B	109.6
N7—C23—C22	121.8 (3)	C63—C64—H64A	109.5
N7—C23—C24	119.1 (3)	C63—C64—H64B	109.5
C22—C23—C24	119.1 (3)	C63—C64—H64C	109.5
C23—C24—C30	119.0 (3)	H64A—C64—H64B	109.5
C25—C24—C23	119.5 (3)	H64A—C64—H64C	109.5
C25—C24—C30	121.5 (3)	H64B—C64—H64C	109.5
C24—C25—H25	118.6	O5—C65—H65A	109.5
C24—C25—C26	122.8 (3)	O5—C65—H65B	109.5
C26—C25—H25	118.6	O5—C65—H65C	109.5
C14—C26—C25	124.6 (3)	H65A—C65—H65B	109.5
C21—C26—C14	119.7 (3)	H65A—C65—H65C	109.5
C21—C26—C25	115.7 (3)	H65B—C65—H65C	109.5
C17—C27—H27A	109.5	O6—C66—H66A	109.5
C17—C27—H27B	109.5	O6—C66—H66B	109.5
C17—C27—H27C	109.5	O6—C66—H66C	109.5
H27A—C27—H27B	109.5	H66A—C66—H66B	109.5
H27A—C27—H27C	109.5	H66A—C66—H66C	109.5
H27B—C27—H27C	109.5	H66B—C66—H66C	109.5
N8—C28—H28A	109.0	Cl1—C67—Cl2	111.8 (3)
N8—C28—H28B	109.0	Cl1—C67—H67A	109.3
N8—C28—C29	113.1 (3)	Cl1—C67—H67B	109.3
H28A—C28—H28B	107.8	Cl2—C67—H67A	109.3
C29—C28—H28A	109.0	Cl2—C67—H67B	109.3
C29—C28—H28B	109.0	H67A—C67—H67B	107.9
C28—C29—H29A	109.5

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N7—H7···F3	0.88	2.25	2.903 (4)	130
N8—H8···O6	0.88	2.10	2.900 (4)	151
N10—H10···O5	0.88	2.07	2.882 (4)	153
O5—H5···F4^i	0.84	2.22	2.897 (11)	137
O5—H5···F1A^i	0.84	1.99	2.762 (10)	153
O6—H6A···F6	0.84	2.06	2.809 (4)	149
C2—H2···F7^ii	0.95	2.43	3.142 (4)	132
C4—H4···F2^iii	0.95	2.40	3.275 (6)	153
C6—H6···F3^iii	0.95	2.50	3.323 (4)	146
C12—H12···O3^iv	0.95	2.46	3.379 (4)	162
C22—H22···F8^v	0.95	2.52	3.466 (4)	179
C31—H31B···F7^v	0.99	2.43	3.302 (4)	147
C44—H44···F2^vi	0.95	2.46	3.177 (6)	133
C67—H67B···N6	0.99	2.34	3.277 (6)	158

Symmetry codes: (i) x, y, z−1; (ii) x, y−1, z; (iii) −x+2, −y+1, −z+1; (iv) −x+2, −y+2, −z+1; (v) −x+1, −y+2, −z+1; (vi) x−1, y, z−1.