An unusual bis-heteroscorpionate complex with anomalous ligands: [tris­(3,4-di­bromo-5-phenyl­pyrazol­yl)hydro­borato][hydro­tris­(3-neo­pentyl­pyrazol­yl)borato]nickel(II)

Tridentate tris­pyrazolylborate (Tp) ligands, introduced by Trofimenko in 1966, have been widely utilized in metal coordination chemistry because of the relatively facile synthetic modification of their electronic and steric factors. The title heteroscorpionate, [Ni(C₂₇H₁₆BBr₆N₆)(C₂₄H₄₀BN₆)], features one ligand, namely hydro­tris­(3-neo­pentyl­pyrazol­yl)borate, that has previously displayed variable steric effects, and a brominated ligand, namely tris­(3,4-di­bromo-5-phenyl­pyrazol­yl)hydro­borate, that, atypical in tris­pyrazolylborate chemistry, coordinates such that the less bulky pyrazole substituent is oriented facing toward the metal ion. The potential mol­ecular threefold symmetry in scorpionates can allow axial chirality. Although crystallized in the centrosymmetric P space group, a closer inspection of the structure of the title compound reveals axial diastereomers.

Computing details

Data collection: SMART (Bruker, 2002); cell refinement: SHELXTL (Sheldrick, 2008); data reduction: SHELXTL (Sheldrick, 2008); program(s) used to solve structure: SHELXL97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: Mercury (Bruno et al., 2002).

[Hydrotris(3,4-dibromo-5-phenyl-pyrazolyl)borato-κN²][hydrotris(3-neopentylpyrazolyl-κN²)lborato]nickel(II)

Crystal data

[Ni(C27H16BBr6N6)(C24H40BN6)]	Z = 4
Mr = 1396.86	F(000) = 2776
Triclinic, P1	Dx = 1.663 Mg m^−3
a = 12.833 (5) Å	Mo Kα radiation, λ = 0.71073 Å
b = 21.295 (8) Å	Cell parameters from 1016 reflections
c = 22.787 (9) Å	θ = 2.6–24.5°
α = 69.299 (6)°	µ = 4.69 mm^−1
β = 74.191 (6)°	T = 120 K
γ = 89.546 (6)°	Block, violet
V = 5578 (4) Å^3	0.40 × 0.30 × 0.20 mm

Data collection

Bruker APEX diffractometer	18299 reflections with I > 2σ(I)
Detector resolution: 836.6 pixels mm^-1	Rint = 0.042
ω scans	θmax = 28.3°, θmin = 1.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	h = −16→17
Tmin = 0.614, Tmax = 0.746	k = −28→27
62529 measured reflections	l = −29→29
25046 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.040	Hydrogen site location: mixed
wR(F^2) = 0.095	H atoms treated by a mixture of independent and constrained refinement
S = 1.01	w = 1/[σ^2(Fo^2) + (0.0425P)^2] where P = (Fo^2 + 2Fc^2)/3
25046 reflections	(Δ/σ)max = 0.002
1327 parameters	Δρmax = 1.30 e Å^−3
0 restraints	Δρmin = −0.82 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
Ni1	−0.05703 (3)	0.17694 (2)	0.79264 (2)	0.01714 (9)
Ni2	0.44685 (3)	0.18418 (2)	0.28625 (2)	0.01830 (10)
B1	0.1004 (3)	0.30268 (19)	0.68684 (18)	0.0170 (8)
H1	0.154 (3)	0.3459 (16)	0.6518 (15)	0.020*
B2	−0.2092 (3)	0.0531 (2)	0.89323 (19)	0.0205 (8)
H2	−0.265 (3)	0.0060 (16)	0.9306 (16)	0.025*
B3	0.6094 (3)	0.30653 (19)	0.17758 (19)	0.0192 (8)
H3	0.663 (3)	0.3490 (16)	0.1405 (16)	0.023*
B4	0.2911 (3)	0.0628 (2)	0.3889 (2)	0.0210 (8)
H4	0.237 (3)	0.0161 (16)	0.4262 (16)	0.025*
N1	−0.0626 (2)	0.23040 (13)	0.69611 (13)	0.0187 (6)
N2	0.0205 (2)	0.27938 (13)	0.65639 (13)	0.0184 (6)
N3	0.1139 (2)	0.18296 (13)	0.75498 (13)	0.0179 (6)
N4	0.1677 (2)	0.24451 (13)	0.71256 (13)	0.0177 (6)
N5	−0.0335 (2)	0.27282 (13)	0.79886 (13)	0.0185 (6)
N6	0.0325 (2)	0.32183 (13)	0.74414 (13)	0.0168 (6)
N7	−0.2275 (2)	0.17417 (13)	0.82824 (13)	0.0195 (6)
N8	−0.2770 (2)	0.11232 (13)	0.87122 (13)	0.0196 (6)
N9	−0.0747 (2)	0.08544 (13)	0.78054 (13)	0.0198 (6)
N10	−0.1460 (2)	0.03782 (13)	0.83265 (13)	0.0199 (6)
N11	−0.0491 (2)	0.12569 (13)	0.88764 (13)	0.0199 (6)
N12	−0.1293 (2)	0.07410 (13)	0.92412 (14)	0.0206 (6)
N13	0.4320 (2)	0.24246 (13)	0.19342 (13)	0.0198 (6)
N14	0.5109 (2)	0.29400 (13)	0.15360 (13)	0.0185 (6)
N15	0.4905 (2)	0.27629 (13)	0.29394 (13)	0.0179 (6)
N16	0.5636 (2)	0.32297 (13)	0.24012 (13)	0.0173 (6)
N17	0.6130 (2)	0.18347 (14)	0.24092 (14)	0.0219 (6)
N18	0.6690 (2)	0.24258 (13)	0.19419 (13)	0.0184 (6)
N19	0.4628 (2)	0.12890 (13)	0.37812 (13)	0.0202 (6)
N20	0.3781 (2)	0.08074 (13)	0.41736 (14)	0.0213 (6)
N21	0.2785 (2)	0.18653 (13)	0.32920 (13)	0.0192 (6)
N22	0.2262 (2)	0.12433 (13)	0.36893 (13)	0.0210 (6)
N23	0.4145 (2)	0.09529 (13)	0.27316 (14)	0.0219 (6)
N24	0.3468 (2)	0.04749 (13)	0.32718 (14)	0.0206 (6)
Br1	−0.24651 (3)	0.16504 (2)	0.68837 (2)	0.02784 (9)
Br2	−0.13566 (3)	0.28412 (2)	0.52369 (2)	0.03836 (11)
Br3	0.16048 (3)	0.05061 (2)	0.81780 (2)	0.02780 (9)
Br4	0.42554 (3)	0.13643 (2)	0.72477 (3)	0.05349 (14)
Br5	−0.17373 (3)	0.25765 (2)	0.92265 (2)	0.02550 (8)
Br6	−0.08256 (3)	0.43544 (2)	0.85178 (2)	0.02936 (9)
Br7	0.23964 (3)	0.18098 (2)	0.19119 (2)	0.03064 (9)
Br8	0.32697 (3)	0.31015 (2)	0.03202 (2)	0.03231 (10)
Br9	0.36423 (3)	0.26173 (2)	0.42083 (2)	0.02442 (8)
Br10	0.50189 (3)	0.43137 (2)	0.35610 (2)	0.03766 (11)
Br11	0.64959 (3)	0.04837 (2)	0.30331 (2)	0.03103 (9)
Br12	0.91386 (3)	0.12198 (2)	0.19552 (2)	0.03712 (10)
C1	−0.1231 (3)	0.22584 (17)	0.65813 (17)	0.0218 (8)
C2	−0.0811 (3)	0.27213 (17)	0.59462 (17)	0.0229 (8)
C3	0.0117 (3)	0.30565 (16)	0.59424 (16)	0.0209 (7)
C4	0.0912 (3)	0.35817 (17)	0.54144 (16)	0.0218 (8)
C5	0.0569 (3)	0.41533 (18)	0.50075 (17)	0.0278 (8)
H5	−0.0185	0.4188	0.5053	0.033*
C6	0.1328 (3)	0.46717 (18)	0.45365 (18)	0.0312 (9)
H6	0.1095	0.5059	0.4258	0.037*
C7	0.2415 (3)	0.4622 (2)	0.44761 (18)	0.0354 (10)
H7	0.2931	0.4982	0.4161	0.042*
C8	0.2770 (3)	0.4054 (2)	0.48680 (17)	0.0324 (9)
H8	0.3525	0.4026	0.4824	0.039*
C9	0.2021 (3)	0.35316 (18)	0.53226 (17)	0.0265 (8)
H9	0.2265	0.3132	0.5576	0.032*
C10	0.1912 (3)	0.14134 (16)	0.76310 (16)	0.0208 (7)
C11	0.2937 (3)	0.17517 (18)	0.72674 (18)	0.0268 (8)
C12	0.2768 (3)	0.24137 (16)	0.69517 (17)	0.0210 (7)
C13	0.3564 (3)	0.29951 (17)	0.65089 (17)	0.0232 (8)
C14	0.4405 (3)	0.29345 (19)	0.60032 (19)	0.0327 (9)
H14	0.4470	0.2514	0.5945	0.039*
C15	0.5151 (3)	0.3484 (2)	0.5583 (2)	0.0411 (11)
H15	0.5731	0.3434	0.5246	0.049*
C16	0.5060 (3)	0.4096 (2)	0.5651 (2)	0.0398 (10)
H16	0.5566	0.4471	0.5358	0.048*
C17	0.4226 (3)	0.41651 (19)	0.6148 (2)	0.0351 (10)
H17	0.4152	0.4591	0.6194	0.042*
C18	0.3499 (3)	0.36160 (18)	0.65806 (18)	0.0276 (8)
H18	0.2946	0.3664	0.6932	0.033*
C19	−0.0759 (3)	0.30319 (17)	0.84119 (16)	0.0197 (7)
C20	−0.0389 (3)	0.37120 (16)	0.81407 (16)	0.0189 (7)
C21	0.0302 (3)	0.38260 (16)	0.75212 (16)	0.0182 (7)
C22	0.0908 (3)	0.44553 (16)	0.70236 (16)	0.0202 (7)
C23	0.1498 (3)	0.48678 (17)	0.72059 (18)	0.0250 (8)
H23	0.1510	0.4733	0.7648	0.030*
C24	0.2062 (3)	0.54695 (18)	0.67486 (18)	0.0292 (9)
H24	0.2453	0.5746	0.6881	0.035*
C25	0.2064 (3)	0.56695 (18)	0.61110 (19)	0.0317 (9)
H25	0.2458	0.6083	0.5801	0.038*
C26	0.1491 (3)	0.52712 (18)	0.59134 (18)	0.0302 (9)
H26	0.1499	0.5409	0.5467	0.036*
C27	0.0907 (3)	0.46708 (17)	0.63682 (17)	0.0257 (8)
H27	0.0502	0.4404	0.6233	0.031*
C28	−0.3076 (3)	0.21467 (17)	0.81804 (17)	0.0220 (8)
C29	−0.4089 (3)	0.17741 (18)	0.85507 (18)	0.0299 (9)
H29	−0.4789	0.1930	0.8572	0.036*
C30	−0.3851 (3)	0.11387 (17)	0.88743 (18)	0.0254 (8)
H30	−0.4370	0.0769	0.9166	0.031*
C31	−0.2799 (3)	0.28578 (17)	0.76950 (19)	0.0301 (9)
H31A	−0.2633	0.2836	0.7253	0.036*
H31B	−0.2116	0.3033	0.7731	0.036*
C32	−0.3608 (3)	0.33847 (18)	0.77232 (19)	0.0308 (9)
C33	−0.2997 (3)	0.40704 (19)	0.7251 (2)	0.0443 (11)
H33A	−0.2700	0.4055	0.6813	0.066*
H33B	−0.2402	0.4174	0.7406	0.066*
H33C	−0.3500	0.4421	0.7233	0.066*
C34	−0.3972 (4)	0.3401 (2)	0.8426 (2)	0.0545 (13)
H34A	−0.4385	0.3790	0.8424	0.082*
H34B	−0.3329	0.3438	0.8569	0.082*
H34C	−0.4431	0.2985	0.8726	0.082*
C35	−0.4585 (3)	0.3273 (2)	0.7518 (2)	0.0500 (12)
H35A	−0.4347	0.3209	0.7098	0.075*
H35B	−0.5003	0.3666	0.7471	0.075*
H35C	−0.5044	0.2871	0.7850	0.075*
C36	−0.0355 (3)	0.05743 (17)	0.73520 (17)	0.0215 (7)
C37	−0.0849 (3)	−0.00883 (17)	0.75876 (18)	0.0253 (8)
H37	−0.0737	−0.0400	0.7369	0.030*
C38	−0.1527 (3)	−0.01904 (17)	0.82009 (18)	0.0254 (8)
H38	−0.1972	−0.0595	0.8489	0.031*
C39	0.0528 (3)	0.09589 (17)	0.67342 (16)	0.0238 (8)
H39A	0.1232	0.0884	0.6837	0.029*
H39B	0.0437	0.1444	0.6632	0.029*
C40	0.0642 (3)	0.08182 (18)	0.60918 (18)	0.0282 (8)
C41	0.1487 (3)	0.1372 (2)	0.55460 (18)	0.0385 (10)
H41A	0.2163	0.1368	0.5668	0.058*
H41B	0.1205	0.1812	0.5485	0.058*
H41C	0.1631	0.1288	0.5137	0.058*
C42	0.1072 (3)	0.01326 (19)	0.61415 (19)	0.0360 (10)
H42A	0.1239	0.0089	0.5712	0.054*
H42B	0.0518	−0.0229	0.6462	0.054*
H42C	0.1734	0.0100	0.6282	0.054*
C43	−0.0422 (3)	0.0849 (2)	0.59244 (19)	0.0394 (10)
H43A	−0.0698	0.1286	0.5896	0.059*
H43B	−0.0952	0.0486	0.6266	0.059*
H43C	−0.0306	0.0794	0.5502	0.059*
C44	0.0073 (3)	0.13156 (17)	0.92818 (17)	0.0218 (7)
C45	−0.0396 (3)	0.08366 (17)	0.99094 (17)	0.0249 (8)
H45	−0.0174	0.0767	1.0291	0.030*
C46	−0.1238 (3)	0.04906 (17)	0.98593 (17)	0.0239 (8)
H46	−0.1710	0.0129	1.0207	0.029*
C47	0.1070 (3)	0.18116 (19)	0.90016 (18)	0.0304 (9)
H47A	0.0887	0.2234	0.8702	0.036*
H47B	0.1636	0.1632	0.8728	0.036*
C48	0.1595 (3)	0.20061 (19)	0.94467 (18)	0.0322 (9)
C49	0.2538 (3)	0.25512 (18)	0.89896 (19)	0.0352 (10)
H49A	0.2920	0.2683	0.9253	0.053*
H49B	0.2247	0.2946	0.8729	0.053*
H49C	0.3047	0.2371	0.8696	0.053*
C50	0.0764 (4)	0.2316 (2)	0.9866 (2)	0.0607 (14)
H50A	0.0151	0.1978	1.0153	0.091*
H50B	0.0498	0.2704	0.9579	0.091*
H50C	0.1113	0.2465	1.0134	0.091*
C51	0.2046 (4)	0.1436 (2)	0.9881 (2)	0.0607 (15)
H51A	0.1446	0.1117	1.0218	0.091*
H51B	0.2481	0.1612	1.0091	0.091*
H51C	0.2505	0.1204	0.9618	0.091*
C52	0.3645 (3)	0.24155 (17)	0.15863 (17)	0.0221 (8)
C53	0.3979 (3)	0.29143 (17)	0.09722 (16)	0.0218 (8)
C54	0.4920 (3)	0.32550 (16)	0.09475 (16)	0.0203 (7)
C55	0.5575 (3)	0.38643 (17)	0.04351 (16)	0.0210 (7)
C56	0.5921 (3)	0.39101 (18)	−0.02158 (17)	0.0262 (8)
H56	0.5765	0.3538	−0.0327	0.031*
C57	0.6492 (3)	0.45003 (19)	−0.07013 (18)	0.0338 (9)
H57	0.6719	0.4534	−0.1146	0.041*
C58	0.6731 (3)	0.5040 (2)	−0.05370 (19)	0.0355 (10)
H58	0.7130	0.5441	−0.0869	0.043*
C59	0.6391 (3)	0.49950 (18)	0.01064 (19)	0.0320 (9)
H59	0.6565	0.5363	0.0218	0.038*
C60	0.5799 (3)	0.44179 (17)	0.05866 (18)	0.0255 (8)
H60	0.5540	0.4397	0.1026	0.031*
C61	0.4615 (3)	0.30539 (16)	0.33822 (15)	0.0185 (7)
C62	0.5139 (3)	0.36998 (17)	0.31340 (17)	0.0218 (8)
C63	0.5785 (3)	0.38030 (16)	0.25107 (16)	0.0191 (7)
C64	0.6513 (3)	0.44038 (17)	0.20301 (16)	0.0222 (8)
C65	0.7601 (3)	0.43726 (17)	0.17323 (17)	0.0237 (8)
H65	0.7898	0.3951	0.1832	0.028*
C66	0.8254 (3)	0.49506 (18)	0.12925 (18)	0.0289 (9)
H66	0.8995	0.4924	0.1087	0.035*
C67	0.7829 (3)	0.55711 (18)	0.11508 (18)	0.0310 (9)
H67	0.8281	0.5968	0.0851	0.037*
C68	0.6759 (3)	0.56109 (18)	0.14428 (18)	0.0323 (9)
H68	0.6473	0.6037	0.1344	0.039*
C69	0.6089 (3)	0.50347 (17)	0.18822 (17)	0.0266 (8)
H69	0.5347	0.5066	0.2082	0.032*
C70	0.6865 (3)	0.13822 (16)	0.24721 (17)	0.0227 (8)
C71	0.7881 (3)	0.16752 (17)	0.20557 (17)	0.0241 (8)
C72	0.7771 (3)	0.23386 (17)	0.17288 (16)	0.0218 (8)
C73	0.8611 (3)	0.28916 (17)	0.12678 (17)	0.0223 (8)
C74	0.9523 (3)	0.29904 (19)	0.14643 (19)	0.0304 (9)
H74	0.9592	0.2698	0.1875	0.036*
C75	1.0322 (3)	0.3513 (2)	0.1060 (2)	0.0393 (10)
H75	1.0944	0.3574	0.1192	0.047*
C76	1.0222 (3)	0.3945 (2)	0.0470 (2)	0.0413 (11)
H76	1.0766	0.4308	0.0198	0.050*
C77	0.9325 (3)	0.3850 (2)	0.02706 (18)	0.0379 (10)
H77	0.9255	0.4149	−0.0137	0.046*
C78	0.8531 (3)	0.33209 (18)	0.06630 (18)	0.0294 (9)
H78	0.7929	0.3251	0.0518	0.035*
C79	0.5267 (3)	0.13106 (16)	0.41602 (17)	0.0217 (8)
C80	0.4799 (3)	0.08510 (17)	0.47982 (18)	0.0273 (8)
H80	0.5067	0.0766	0.5166	0.033*
C81	0.3874 (3)	0.05500 (17)	0.47809 (17)	0.0251 (8)
H81	0.3379	0.0213	0.5143	0.030*
C82	0.6324 (3)	0.17510 (18)	0.38538 (18)	0.0270 (8)
H82A	0.6192	0.2180	0.3538	0.032*
H82B	0.6836	0.1530	0.3595	0.032*
C83	0.6922 (3)	0.19343 (18)	0.42849 (19)	0.0295 (9)
C84	0.7870 (3)	0.24630 (19)	0.3804 (2)	0.0383 (10)
H84A	0.8353	0.2267	0.3515	0.057*
H84B	0.8280	0.2602	0.4050	0.057*
H84C	0.7582	0.2857	0.3541	0.057*
C85	0.6178 (3)	0.2255 (2)	0.4727 (2)	0.0441 (11)
H85A	0.5902	0.2650	0.4457	0.066*
H85B	0.6591	0.2394	0.4972	0.066*
H85C	0.5566	0.1926	0.5034	0.066*
C86	0.7385 (3)	0.13333 (19)	0.4687 (2)	0.0406 (11)
H86A	0.6789	0.0999	0.5007	0.061*
H86B	0.7817	0.1480	0.4918	0.061*
H86C	0.7849	0.1131	0.4397	0.061*
C87	0.2018 (3)	0.22927 (17)	0.32221 (17)	0.0219 (8)
C88	0.0993 (3)	0.19373 (18)	0.35746 (18)	0.0278 (8)
H88	0.0306	0.2114	0.3608	0.033*
C89	0.1185 (3)	0.12780 (18)	0.38629 (17)	0.0261 (8)
H89	0.0649	0.0912	0.4137	0.031*
C90	0.2334 (3)	0.30272 (17)	0.27971 (18)	0.0264 (8)
H90A	0.2395	0.3073	0.2341	0.032*
H90B	0.3070	0.3146	0.2808	0.032*
C91	0.1600 (3)	0.35618 (18)	0.29512 (19)	0.0292 (9)
C92	0.2274 (4)	0.42491 (19)	0.2564 (2)	0.0474 (12)
H92A	0.1814	0.4610	0.2606	0.071*
H92B	0.2551	0.4306	0.2101	0.071*
H92C	0.2887	0.4271	0.2738	0.071*
C93	0.1255 (4)	0.3458 (2)	0.3679 (2)	0.0504 (12)
H93A	0.1903	0.3476	0.3823	0.076*
H93B	0.0833	0.3018	0.3932	0.076*
H93C	0.0806	0.3815	0.3747	0.076*
C94	0.0589 (3)	0.3575 (2)	0.2712 (2)	0.0417 (11)
H94A	0.0137	0.3916	0.2815	0.063*
H94B	0.0169	0.3131	0.2931	0.063*
H94C	0.0815	0.3686	0.2237	0.063*
C95	0.4484 (3)	0.06742 (18)	0.22729 (17)	0.0252 (8)
C96	0.3995 (3)	0.00108 (17)	0.25237 (18)	0.0268 (8)
H96	0.4073	−0.0299	0.2304	0.032*
C97	0.3378 (3)	−0.00988 (17)	0.31561 (18)	0.0245 (8)
H97	0.2961	−0.0508	0.3458	0.029*
C98	0.5339 (3)	0.1060 (2)	0.16389 (18)	0.0387 (10)
H98A	0.6051	0.1007	0.1732	0.046*
H98B	0.5222	0.1543	0.1532	0.046*
C99	0.5460 (3)	0.09149 (18)	0.10185 (18)	0.0251 (8)
C100	0.6255 (3)	0.1470 (2)	0.04592 (19)	0.0423 (11)
H10A	0.5953	0.1904	0.0401	0.063*
H10B	0.6379	0.1377	0.0055	0.063*
H10C	0.6947	0.1485	0.0561	0.063*
C101	0.4374 (3)	0.0935 (2)	0.0860 (2)	0.0536 (13)
H10D	0.3834	0.0598	0.1226	0.080*
H10E	0.4468	0.0835	0.0462	0.080*
H10F	0.4124	0.1385	0.0792	0.080*
C102	0.5867 (4)	0.0231 (2)	0.1060 (2)	0.0501 (12)
H10G	0.6541	0.0193	0.1188	0.075*
H10H	0.6007	0.0188	0.0632	0.075*
H10I	0.5314	−0.0128	0.1387	0.075*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ni1	0.0172 (2)	0.0148 (2)	0.0194 (2)	−0.00027 (17)	−0.00509 (18)	−0.00630 (18)
Ni2	0.0185 (2)	0.0161 (2)	0.0209 (2)	−0.00249 (17)	−0.00498 (18)	−0.00784 (18)
B1	0.019 (2)	0.019 (2)	0.0164 (19)	0.0009 (16)	−0.0058 (16)	−0.0106 (16)
B2	0.018 (2)	0.021 (2)	0.021 (2)	−0.0015 (16)	−0.0029 (16)	−0.0088 (17)
B3	0.019 (2)	0.020 (2)	0.021 (2)	−0.0016 (16)	−0.0068 (17)	−0.0102 (17)
B4	0.018 (2)	0.020 (2)	0.024 (2)	−0.0005 (16)	−0.0057 (17)	−0.0073 (17)
N1	0.0206 (15)	0.0146 (14)	0.0218 (15)	0.0005 (11)	−0.0064 (12)	−0.0076 (12)
N2	0.0163 (14)	0.0185 (14)	0.0195 (15)	−0.0002 (11)	−0.0049 (12)	−0.0062 (12)
N3	0.0192 (15)	0.0146 (14)	0.0201 (15)	−0.0006 (11)	−0.0059 (12)	−0.0063 (12)
N4	0.0172 (14)	0.0166 (14)	0.0200 (15)	−0.0001 (11)	−0.0065 (12)	−0.0068 (12)
N5	0.0150 (14)	0.0185 (15)	0.0200 (15)	−0.0008 (11)	−0.0030 (12)	−0.0063 (12)
N6	0.0158 (14)	0.0155 (14)	0.0177 (15)	0.0006 (11)	−0.0043 (12)	−0.0049 (12)
N7	0.0207 (15)	0.0172 (14)	0.0202 (15)	−0.0025 (12)	−0.0036 (12)	−0.0080 (12)
N8	0.0194 (15)	0.0175 (15)	0.0204 (15)	−0.0046 (12)	−0.0033 (12)	−0.0067 (12)
N9	0.0213 (15)	0.0161 (14)	0.0218 (16)	0.0006 (12)	−0.0075 (12)	−0.0057 (12)
N10	0.0211 (15)	0.0150 (14)	0.0200 (15)	−0.0018 (12)	−0.0019 (12)	−0.0050 (12)
N11	0.0209 (15)	0.0152 (14)	0.0223 (16)	−0.0019 (12)	−0.0048 (13)	−0.0061 (12)
N12	0.0193 (15)	0.0158 (14)	0.0263 (16)	0.0002 (12)	−0.0053 (13)	−0.0082 (13)
N13	0.0180 (15)	0.0200 (15)	0.0207 (15)	−0.0052 (12)	−0.0036 (12)	−0.0080 (12)
N14	0.0173 (14)	0.0192 (15)	0.0182 (15)	−0.0027 (11)	−0.0031 (12)	−0.0072 (12)
N15	0.0185 (14)	0.0154 (14)	0.0180 (15)	−0.0017 (11)	−0.0051 (12)	−0.0040 (12)
N16	0.0173 (14)	0.0148 (14)	0.0212 (15)	−0.0012 (11)	−0.0063 (12)	−0.0075 (12)
N17	0.0234 (16)	0.0195 (15)	0.0238 (16)	−0.0014 (12)	−0.0048 (13)	−0.0105 (13)
N18	0.0179 (14)	0.0169 (14)	0.0213 (15)	−0.0019 (11)	−0.0055 (12)	−0.0081 (12)
N19	0.0221 (15)	0.0153 (14)	0.0242 (16)	−0.0017 (12)	−0.0063 (13)	−0.0086 (12)
N20	0.0194 (15)	0.0188 (15)	0.0267 (17)	−0.0002 (12)	−0.0062 (13)	−0.0095 (13)
N21	0.0199 (15)	0.0180 (15)	0.0221 (16)	−0.0001 (12)	−0.0065 (12)	−0.0098 (12)
N22	0.0203 (15)	0.0206 (15)	0.0224 (16)	−0.0005 (12)	−0.0038 (13)	−0.0100 (13)
N23	0.0245 (16)	0.0171 (15)	0.0251 (16)	−0.0051 (12)	−0.0067 (13)	−0.0092 (13)
N24	0.0181 (15)	0.0176 (15)	0.0265 (16)	−0.0009 (12)	−0.0074 (13)	−0.0077 (13)
Br1	0.02228 (19)	0.0295 (2)	0.0361 (2)	−0.00486 (15)	−0.00805 (16)	−0.01726 (17)
Br2	0.0435 (2)	0.0457 (3)	0.0321 (2)	−0.00572 (19)	−0.02371 (19)	−0.01178 (19)
Br3	0.0281 (2)	0.01756 (18)	0.0343 (2)	0.00430 (15)	−0.00997 (17)	−0.00463 (16)
Br4	0.0224 (2)	0.0409 (3)	0.0699 (3)	0.01286 (19)	−0.0049 (2)	0.0054 (2)
Br5	0.02513 (19)	0.02794 (19)	0.01939 (18)	0.00101 (15)	−0.00126 (15)	−0.00772 (15)
Br6	0.0340 (2)	0.0284 (2)	0.0307 (2)	0.00647 (16)	−0.00621 (17)	−0.01910 (17)
Br7	0.0264 (2)	0.0349 (2)	0.0319 (2)	−0.01193 (16)	−0.00794 (17)	−0.01365 (17)
Br8	0.0342 (2)	0.0353 (2)	0.0324 (2)	−0.00359 (17)	−0.01966 (18)	−0.01042 (18)
Br9	0.02504 (19)	0.02614 (19)	0.02008 (18)	−0.00166 (15)	−0.00257 (15)	−0.00894 (15)
Br10	0.0426 (2)	0.0347 (2)	0.0370 (2)	−0.00866 (18)	0.00414 (19)	−0.02601 (19)
Br11	0.0329 (2)	0.01729 (18)	0.0402 (2)	0.00335 (15)	−0.00897 (18)	−0.00852 (17)
Br12	0.0269 (2)	0.0309 (2)	0.0520 (3)	0.01050 (17)	−0.00649 (19)	−0.0171 (2)
C1	0.0171 (17)	0.0244 (19)	0.030 (2)	0.0004 (14)	−0.0076 (15)	−0.0164 (16)
C2	0.0250 (19)	0.0253 (19)	0.0239 (19)	0.0004 (15)	−0.0116 (16)	−0.0120 (16)
C3	0.0222 (18)	0.0212 (18)	0.0229 (19)	0.0059 (14)	−0.0089 (15)	−0.0105 (15)
C4	0.0277 (19)	0.0253 (19)	0.0157 (18)	0.0006 (15)	−0.0090 (15)	−0.0092 (15)
C5	0.027 (2)	0.034 (2)	0.025 (2)	0.0047 (17)	−0.0101 (17)	−0.0122 (17)
C6	0.043 (2)	0.027 (2)	0.023 (2)	0.0057 (18)	−0.0098 (18)	−0.0068 (17)
C7	0.036 (2)	0.038 (2)	0.021 (2)	−0.0065 (18)	0.0004 (18)	−0.0027 (18)
C8	0.023 (2)	0.047 (2)	0.022 (2)	0.0034 (18)	−0.0035 (16)	−0.0088 (18)
C9	0.029 (2)	0.029 (2)	0.0223 (19)	0.0060 (16)	−0.0061 (16)	−0.0108 (16)
C10	0.0238 (19)	0.0176 (17)	0.0216 (18)	0.0027 (14)	−0.0094 (15)	−0.0058 (15)
C11	0.0165 (18)	0.027 (2)	0.035 (2)	0.0054 (15)	−0.0081 (16)	−0.0098 (17)
C12	0.0187 (17)	0.0196 (18)	0.0259 (19)	0.0014 (14)	−0.0077 (15)	−0.0088 (15)
C13	0.0181 (18)	0.0239 (19)	0.028 (2)	0.0049 (15)	−0.0106 (15)	−0.0076 (16)
C14	0.028 (2)	0.025 (2)	0.039 (2)	0.0008 (16)	−0.0055 (18)	−0.0071 (18)
C15	0.027 (2)	0.039 (2)	0.044 (3)	−0.0033 (18)	0.0019 (19)	−0.008 (2)
C16	0.029 (2)	0.034 (2)	0.045 (3)	−0.0080 (18)	−0.012 (2)	0.001 (2)
C17	0.034 (2)	0.026 (2)	0.053 (3)	−0.0018 (17)	−0.021 (2)	−0.017 (2)
C18	0.0218 (19)	0.031 (2)	0.036 (2)	0.0045 (16)	−0.0135 (17)	−0.0152 (18)
C19	0.0173 (17)	0.0238 (18)	0.0142 (17)	0.0010 (14)	−0.0011 (14)	−0.0050 (14)
C20	0.0214 (18)	0.0185 (17)	0.0231 (19)	0.0064 (14)	−0.0083 (15)	−0.0138 (15)
C21	0.0185 (17)	0.0177 (17)	0.0208 (18)	0.0020 (14)	−0.0062 (14)	−0.0095 (14)
C22	0.0230 (18)	0.0185 (17)	0.0229 (19)	0.0058 (14)	−0.0085 (15)	−0.0109 (15)
C23	0.031 (2)	0.0227 (19)	0.026 (2)	0.0027 (16)	−0.0108 (16)	−0.0122 (16)
C24	0.029 (2)	0.024 (2)	0.038 (2)	−0.0032 (16)	−0.0111 (18)	−0.0136 (18)
C25	0.037 (2)	0.021 (2)	0.033 (2)	0.0018 (17)	−0.0095 (18)	−0.0052 (17)
C26	0.037 (2)	0.027 (2)	0.025 (2)	0.0043 (17)	−0.0130 (18)	−0.0056 (17)
C27	0.029 (2)	0.0238 (19)	0.028 (2)	0.0043 (16)	−0.0137 (17)	−0.0091 (16)
C28	0.0177 (17)	0.0238 (19)	0.028 (2)	0.0053 (15)	−0.0066 (15)	−0.0137 (16)
C29	0.0181 (19)	0.029 (2)	0.040 (2)	0.0024 (16)	−0.0074 (17)	−0.0107 (18)
C30	0.0174 (18)	0.0249 (19)	0.031 (2)	−0.0050 (15)	−0.0031 (16)	−0.0096 (17)
C31	0.023 (2)	0.025 (2)	0.039 (2)	0.0055 (16)	−0.0060 (17)	−0.0105 (18)
C32	0.030 (2)	0.026 (2)	0.036 (2)	0.0083 (17)	−0.0145 (18)	−0.0088 (18)
C33	0.045 (3)	0.030 (2)	0.056 (3)	0.013 (2)	−0.021 (2)	−0.009 (2)
C34	0.072 (3)	0.051 (3)	0.053 (3)	0.033 (3)	−0.023 (3)	−0.031 (3)
C35	0.039 (3)	0.059 (3)	0.053 (3)	0.016 (2)	−0.020 (2)	−0.016 (3)
C36	0.0205 (18)	0.0237 (19)	0.0259 (19)	0.0044 (15)	−0.0097 (15)	−0.0134 (16)
C37	0.027 (2)	0.0177 (18)	0.034 (2)	0.0032 (15)	−0.0090 (17)	−0.0133 (16)
C38	0.029 (2)	0.0151 (17)	0.032 (2)	−0.0026 (15)	−0.0085 (17)	−0.0091 (16)
C39	0.0200 (18)	0.0255 (19)	0.028 (2)	0.0029 (15)	−0.0065 (16)	−0.0132 (16)
C40	0.028 (2)	0.032 (2)	0.029 (2)	0.0063 (17)	−0.0065 (17)	−0.0174 (18)
C41	0.040 (2)	0.045 (3)	0.027 (2)	−0.003 (2)	−0.0016 (19)	−0.015 (2)
C42	0.038 (2)	0.039 (2)	0.036 (2)	0.0048 (19)	−0.0054 (19)	−0.023 (2)
C43	0.036 (2)	0.058 (3)	0.036 (2)	0.010 (2)	−0.011 (2)	−0.030 (2)
C44	0.0218 (18)	0.0200 (18)	0.0261 (19)	0.0052 (14)	−0.0101 (15)	−0.0092 (15)
C45	0.028 (2)	0.027 (2)	0.0215 (19)	0.0024 (16)	−0.0125 (16)	−0.0062 (16)
C46	0.026 (2)	0.0218 (18)	0.0183 (19)	−0.0002 (15)	−0.0050 (15)	−0.0017 (15)
C47	0.026 (2)	0.036 (2)	0.028 (2)	−0.0068 (17)	−0.0124 (17)	−0.0070 (18)
C48	0.036 (2)	0.033 (2)	0.030 (2)	−0.0061 (18)	−0.0160 (18)	−0.0090 (18)
C49	0.036 (2)	0.030 (2)	0.039 (2)	−0.0110 (18)	−0.0149 (19)	−0.0081 (19)
C50	0.061 (3)	0.068 (3)	0.061 (3)	−0.011 (3)	−0.005 (3)	−0.043 (3)
C51	0.060 (3)	0.049 (3)	0.064 (3)	−0.016 (2)	−0.043 (3)	0.007 (3)
C52	0.0219 (18)	0.0227 (18)	0.0241 (19)	−0.0037 (15)	−0.0058 (15)	−0.0117 (16)
C53	0.0237 (19)	0.0270 (19)	0.0216 (19)	0.0037 (15)	−0.0101 (15)	−0.0143 (16)
C54	0.0221 (18)	0.0203 (18)	0.0206 (18)	0.0008 (14)	−0.0064 (15)	−0.0098 (15)
C55	0.0200 (18)	0.0224 (18)	0.0204 (18)	0.0006 (14)	−0.0075 (15)	−0.0063 (15)
C56	0.026 (2)	0.027 (2)	0.025 (2)	0.0037 (16)	−0.0071 (16)	−0.0100 (16)
C57	0.027 (2)	0.041 (2)	0.023 (2)	0.0003 (18)	0.0006 (17)	−0.0061 (18)
C58	0.029 (2)	0.031 (2)	0.035 (2)	−0.0038 (17)	−0.0084 (18)	0.0005 (19)
C59	0.031 (2)	0.026 (2)	0.043 (2)	−0.0005 (17)	−0.0221 (19)	−0.0084 (18)
C60	0.0257 (19)	0.027 (2)	0.029 (2)	0.0048 (16)	−0.0143 (16)	−0.0112 (17)
C61	0.0161 (17)	0.0228 (18)	0.0146 (17)	−0.0015 (14)	−0.0033 (14)	−0.0052 (14)
C62	0.0195 (18)	0.0223 (18)	0.026 (2)	0.0008 (14)	−0.0041 (15)	−0.0142 (16)
C63	0.0193 (17)	0.0186 (17)	0.0226 (19)	0.0003 (14)	−0.0070 (15)	−0.0106 (15)
C64	0.0258 (19)	0.0241 (19)	0.0212 (19)	−0.0015 (15)	−0.0054 (15)	−0.0144 (16)
C65	0.0237 (19)	0.0234 (19)	0.029 (2)	−0.0035 (15)	−0.0080 (16)	−0.0156 (16)
C66	0.026 (2)	0.032 (2)	0.029 (2)	−0.0089 (16)	−0.0024 (17)	−0.0152 (17)
C67	0.034 (2)	0.028 (2)	0.025 (2)	−0.0136 (17)	0.0004 (17)	−0.0087 (17)
C68	0.043 (2)	0.0198 (19)	0.033 (2)	−0.0009 (17)	−0.0097 (19)	−0.0089 (17)
C69	0.030 (2)	0.0193 (18)	0.031 (2)	−0.0021 (15)	−0.0045 (17)	−0.0117 (16)
C70	0.029 (2)	0.0134 (17)	0.027 (2)	0.0043 (15)	−0.0074 (16)	−0.0092 (15)
C71	0.0207 (18)	0.0228 (19)	0.031 (2)	0.0049 (15)	−0.0071 (16)	−0.0135 (16)
C72	0.0187 (18)	0.0283 (19)	0.0225 (19)	0.0008 (15)	−0.0049 (15)	−0.0150 (16)
C73	0.0194 (18)	0.0244 (19)	0.0233 (19)	0.0030 (15)	−0.0014 (15)	−0.0126 (16)
C74	0.0218 (19)	0.042 (2)	0.030 (2)	0.0024 (17)	−0.0053 (17)	−0.0172 (19)
C75	0.024 (2)	0.051 (3)	0.043 (3)	−0.0099 (19)	−0.0027 (19)	−0.022 (2)
C76	0.031 (2)	0.047 (3)	0.036 (2)	−0.017 (2)	0.0114 (19)	−0.018 (2)
C77	0.046 (3)	0.039 (2)	0.019 (2)	−0.005 (2)	0.0027 (18)	−0.0078 (18)
C78	0.025 (2)	0.037 (2)	0.029 (2)	0.0006 (17)	−0.0055 (17)	−0.0168 (18)
C79	0.0215 (18)	0.0188 (18)	0.031 (2)	0.0041 (14)	−0.0125 (16)	−0.0124 (16)
C80	0.034 (2)	0.0239 (19)	0.029 (2)	0.0036 (16)	−0.0158 (17)	−0.0104 (17)
C81	0.032 (2)	0.0189 (18)	0.0203 (19)	0.0015 (15)	−0.0058 (16)	−0.0036 (15)
C82	0.024 (2)	0.026 (2)	0.033 (2)	−0.0006 (16)	−0.0110 (17)	−0.0124 (17)
C83	0.029 (2)	0.026 (2)	0.043 (2)	0.0013 (16)	−0.0198 (18)	−0.0161 (18)
C84	0.031 (2)	0.032 (2)	0.061 (3)	−0.0028 (18)	−0.024 (2)	−0.019 (2)
C85	0.043 (3)	0.048 (3)	0.060 (3)	0.007 (2)	−0.023 (2)	−0.036 (2)
C86	0.042 (3)	0.038 (2)	0.053 (3)	0.005 (2)	−0.031 (2)	−0.015 (2)
C87	0.0220 (18)	0.0217 (18)	0.027 (2)	0.0043 (15)	−0.0095 (16)	−0.0135 (16)
C88	0.0162 (18)	0.029 (2)	0.037 (2)	0.0051 (15)	−0.0048 (16)	−0.0122 (18)
C89	0.0200 (19)	0.026 (2)	0.029 (2)	−0.0025 (15)	−0.0019 (16)	−0.0100 (17)
C90	0.027 (2)	0.0244 (19)	0.027 (2)	0.0007 (16)	−0.0080 (16)	−0.0079 (16)
C91	0.034 (2)	0.024 (2)	0.036 (2)	0.0078 (16)	−0.0160 (18)	−0.0128 (17)
C92	0.055 (3)	0.022 (2)	0.065 (3)	0.007 (2)	−0.024 (3)	−0.010 (2)
C93	0.070 (3)	0.049 (3)	0.051 (3)	0.025 (2)	−0.026 (3)	−0.033 (2)
C94	0.037 (2)	0.038 (2)	0.054 (3)	0.0111 (19)	−0.021 (2)	−0.015 (2)
C95	0.0240 (19)	0.027 (2)	0.027 (2)	−0.0040 (15)	−0.0036 (16)	−0.0153 (17)
C96	0.026 (2)	0.0234 (19)	0.035 (2)	−0.0038 (15)	−0.0036 (17)	−0.0192 (17)
C97	0.0194 (18)	0.0165 (17)	0.037 (2)	−0.0027 (14)	−0.0022 (16)	−0.0128 (16)
C98	0.047 (3)	0.034 (2)	0.032 (2)	−0.0114 (19)	0.001 (2)	−0.0176 (19)
C99	0.0192 (18)	0.028 (2)	0.029 (2)	0.0032 (15)	−0.0042 (16)	−0.0134 (17)
C100	0.043 (3)	0.047 (3)	0.033 (2)	−0.010 (2)	0.002 (2)	−0.020 (2)
C101	0.040 (3)	0.080 (4)	0.045 (3)	0.001 (2)	−0.014 (2)	−0.025 (3)
C102	0.053 (3)	0.048 (3)	0.046 (3)	0.005 (2)	−0.002 (2)	−0.023 (2)

Geometric parameters (Å, º)

Ni1—N1	2.111 (3)	C13—C18	1.388 (5)
Ni1—N3	2.113 (3)	C13—C14	1.391 (5)
Ni1—N5	2.126 (3)	C14—C15	1.389 (5)
Ni1—N7	2.109 (3)	C15—C16	1.366 (6)
Ni1—N9	2.085 (3)	C16—C17	1.380 (6)
Ni1—N11	2.082 (3)	C17—C18	1.382 (5)
Ni2—N13	2.101 (3)	C19—C20	1.387 (4)
Ni2—N15	2.123 (3)	C20—C21	1.385 (4)
Ni2—N17	2.103 (3)	C21—C22	1.466 (4)
Ni2—N19	2.073 (3)	C22—C23	1.399 (4)
Ni2—N21	2.123 (3)	C22—C27	1.399 (5)
Ni2—N23	2.079 (3)	C23—C24	1.383 (5)
B1—N4	1.539 (5)	C24—C25	1.361 (5)
B1—N6	1.543 (4)	C25—C26	1.387 (5)
B1—N2	1.555 (4)	C26—C27	1.388 (5)
B2—N12	1.539 (5)	C28—C29	1.406 (5)
B2—N8	1.540 (5)	C28—C31	1.501 (5)
B2—N10	1.541 (5)	C29—C30	1.370 (5)
B3—N18	1.536 (5)	C31—C32	1.529 (5)
B3—N16	1.547 (5)	C32—C35	1.501 (5)
B3—N14	1.566 (4)	C32—C33	1.534 (5)
B4—N24	1.539 (5)	C32—C34	1.553 (5)
B4—N22	1.544 (5)	C36—C37	1.405 (5)
B4—N20	1.546 (5)	C36—C39	1.506 (5)
N1—C1	1.337 (4)	C37—C38	1.373 (5)
N1—N2	1.367 (4)	C39—C40	1.564 (5)
N2—C3	1.363 (4)	C40—C43	1.509 (5)
N3—C10	1.333 (4)	C40—C42	1.534 (5)
N3—N4	1.373 (3)	C40—C41	1.537 (5)
N4—C12	1.356 (4)	C44—C45	1.399 (5)
N5—C19	1.340 (4)	C44—C47	1.503 (5)
N5—N6	1.371 (3)	C45—C46	1.365 (5)
N6—C21	1.368 (4)	C47—C48	1.526 (5)
N7—C28	1.352 (4)	C48—C51	1.497 (5)
N7—N8	1.364 (3)	C48—C50	1.539 (6)
N8—C30	1.338 (4)	C48—C49	1.542 (5)
N9—C36	1.351 (4)	C52—C53	1.378 (5)
N9—N10	1.359 (4)	C53—C54	1.391 (4)
N10—C38	1.347 (4)	C54—C55	1.471 (4)
N11—C44	1.357 (4)	C55—C60	1.392 (5)
N11—N12	1.365 (4)	C55—C56	1.395 (5)
N12—C46	1.340 (4)	C56—C57	1.390 (5)
N13—C52	1.327 (4)	C57—C58	1.388 (5)
N13—N14	1.366 (3)	C58—C59	1.379 (5)
N14—C54	1.359 (4)	C59—C60	1.377 (5)
N15—C61	1.332 (4)	C61—C62	1.386 (4)
N15—N16	1.378 (3)	C62—C63	1.376 (5)
N16—C63	1.354 (4)	C63—C64	1.476 (4)
N17—C70	1.342 (4)	C64—C65	1.388 (5)
N17—N18	1.373 (4)	C64—C69	1.408 (5)
N18—C72	1.374 (4)	C65—C66	1.382 (4)
N19—C79	1.355 (4)	C66—C67	1.390 (5)
N19—N20	1.369 (4)	C67—C68	1.370 (5)
N20—C81	1.335 (4)	C68—C69	1.388 (5)
N21—C87	1.339 (4)	C70—C71	1.382 (5)
N21—N22	1.364 (4)	C71—C72	1.371 (5)
N22—C89	1.338 (4)	C72—C73	1.477 (5)
N23—C95	1.349 (4)	C73—C78	1.390 (5)
N23—N24	1.361 (4)	C73—C74	1.403 (5)
N24—C97	1.350 (4)	C74—C75	1.386 (5)
Br1—C1	1.862 (3)	C75—C76	1.375 (6)
Br2—C2	1.868 (3)	C76—C77	1.387 (6)
Br3—C10	1.867 (3)	C77—C78	1.384 (5)
Br4—C11	1.872 (3)	C79—C80	1.400 (5)
Br5—C19	1.855 (3)	C79—C82	1.499 (5)
Br6—C20	1.866 (3)	C80—C81	1.370 (5)
Br7—C52	1.869 (3)	C82—C83	1.546 (5)
Br8—C53	1.873 (3)	C83—C86	1.512 (5)
Br9—C61	1.862 (3)	C83—C85	1.531 (5)
Br10—C62	1.869 (3)	C83—C84	1.541 (5)
Br11—C70	1.864 (3)	C87—C88	1.400 (5)
Br12—C71	1.878 (3)	C87—C90	1.508 (5)
C1—C2	1.390 (5)	C88—C89	1.377 (5)
C2—C3	1.390 (5)	C90—C91	1.547 (5)
C3—C4	1.462 (5)	C91—C93	1.528 (5)
C4—C9	1.390 (5)	C91—C94	1.534 (5)
C4—C5	1.397 (5)	C91—C92	1.536 (5)
C5—C6	1.389 (5)	C95—C96	1.401 (5)
C6—C7	1.370 (5)	C95—C98	1.509 (5)
C7—C8	1.385 (5)	C96—C97	1.379 (5)
C8—C9	1.377 (5)	C98—C99	1.519 (5)
C10—C11	1.391 (5)	C99—C100	1.519 (5)
C11—C12	1.384 (5)	C99—C102	1.523 (5)
C12—C13	1.473 (5)	C99—C101	1.529 (5)
N11—Ni1—N9	90.25 (11)	C16—C15—C14	120.7 (4)
N11—Ni1—N7	90.10 (11)	C15—C16—C17	119.5 (4)
N9—Ni1—N7	90.24 (10)	C16—C17—C18	120.2 (4)
N11—Ni1—N1	178.85 (11)	C17—C18—C13	121.0 (4)
N9—Ni1—N1	90.66 (10)	N5—C19—C20	110.4 (3)
N7—Ni1—N1	90.60 (11)	N5—C19—Br5	122.5 (2)
N11—Ni1—N3	91.24 (11)	C20—C19—Br5	127.1 (3)
N9—Ni1—N3	91.00 (10)	C21—C20—C19	106.6 (3)
N7—Ni1—N3	178.16 (11)	C21—C20—Br6	127.0 (2)
N1—Ni1—N3	88.04 (10)	C19—C20—Br6	126.2 (3)
N11—Ni1—N5	92.62 (10)	N6—C21—C20	106.4 (3)
N9—Ni1—N5	176.51 (11)	N6—C21—C22	124.2 (3)
N7—Ni1—N5	91.75 (10)	C20—C21—C22	129.4 (3)
N1—Ni1—N5	86.45 (10)	C23—C22—C27	118.1 (3)
N3—Ni1—N5	86.94 (10)	C23—C22—C21	119.4 (3)
N19—Ni2—N23	90.15 (11)	C27—C22—C21	122.5 (3)
N19—Ni2—N13	178.53 (10)	C24—C23—C22	120.6 (3)
N23—Ni2—N13	91.32 (11)	C25—C24—C23	120.7 (3)
N19—Ni2—N17	91.97 (11)	C24—C25—C26	120.1 (4)
N23—Ni2—N17	89.27 (11)	C25—C26—C27	119.9 (3)
N13—Ni2—N17	87.88 (11)	C26—C27—C22	120.6 (3)
N19—Ni2—N15	91.58 (10)	N7—C28—C29	109.1 (3)
N23—Ni2—N15	175.82 (11)	N7—C28—C31	119.9 (3)
N13—Ni2—N15	86.95 (10)	C29—C28—C31	130.8 (3)
N17—Ni2—N15	86.86 (10)	C30—C29—C28	105.4 (3)
N19—Ni2—N21	89.75 (11)	N8—C30—C29	109.0 (3)
N23—Ni2—N21	90.68 (11)	C28—C31—C32	120.5 (3)
N13—Ni2—N21	90.40 (11)	C35—C32—C31	113.5 (3)
N17—Ni2—N21	178.27 (11)	C35—C32—C33	108.4 (3)
N15—Ni2—N21	93.14 (10)	C31—C32—C33	106.7 (3)
N4—B1—N6	109.7 (3)	C35—C32—C34	110.1 (4)
N4—B1—N2	109.4 (3)	C31—C32—C34	109.6 (3)
N6—B1—N2	108.1 (3)	C33—C32—C34	108.4 (3)
N12—B2—N8	108.4 (3)	N9—C36—C37	109.0 (3)
N12—B2—N10	110.1 (3)	N9—C36—C39	120.1 (3)
N8—B2—N10	108.5 (3)	C37—C36—C39	130.7 (3)
N18—B3—N16	109.2 (3)	C38—C37—C36	105.4 (3)
N18—B3—N14	109.8 (3)	N10—C38—C37	108.7 (3)
N16—B3—N14	107.7 (3)	C36—C39—C40	120.5 (3)
N24—B4—N22	108.2 (3)	C43—C40—C42	109.6 (3)
N24—B4—N20	109.8 (3)	C43—C40—C41	109.6 (3)
N22—B4—N20	108.7 (3)	C42—C40—C41	108.2 (3)
C1—N1—N2	105.9 (3)	C43—C40—C39	111.9 (3)
C1—N1—Ni1	136.6 (2)	C42—C40—C39	111.4 (3)
N2—N1—Ni1	117.08 (19)	C41—C40—C39	106.0 (3)
C3—N2—N1	110.9 (3)	N11—C44—C45	108.8 (3)
C3—N2—B1	129.4 (3)	N11—C44—C47	119.0 (3)
N1—N2—B1	119.3 (3)	C45—C44—C47	132.0 (3)
C10—N3—N4	105.5 (3)	C46—C45—C44	105.7 (3)
C10—N3—Ni1	136.6 (2)	N12—C46—C45	109.2 (3)
N4—N3—Ni1	117.85 (19)	C44—C47—C48	121.1 (3)
C12—N4—N3	111.2 (3)	C51—C48—C47	114.2 (3)
C12—N4—B1	129.8 (3)	C51—C48—C50	109.7 (4)
N3—N4—B1	118.7 (3)	C47—C48—C50	109.5 (3)
C19—N5—N6	106.1 (3)	C51—C48—C49	108.5 (3)
C19—N5—Ni1	136.7 (2)	C47—C48—C49	106.2 (3)
N6—N5—Ni1	116.68 (19)	C50—C48—C49	108.6 (3)
C21—N6—N5	110.5 (3)	N13—C52—C53	111.1 (3)
C21—N6—B1	129.8 (3)	N13—C52—Br7	123.3 (3)
N5—N6—B1	119.6 (3)	C53—C52—Br7	125.6 (3)
C28—N7—N8	106.7 (3)	C52—C53—C54	106.1 (3)
C28—N7—Ni1	139.2 (2)	C52—C53—Br8	126.2 (3)
N8—N7—Ni1	113.9 (2)	C54—C53—Br8	127.7 (3)
C30—N8—N7	109.9 (3)	N14—C54—C53	106.0 (3)
C30—N8—B2	129.5 (3)	N14—C54—C55	123.8 (3)
N7—N8—B2	120.6 (3)	C53—C54—C55	130.1 (3)
C36—N9—N10	107.2 (3)	C60—C55—C56	119.1 (3)
C36—N9—Ni1	138.9 (2)	C60—C55—C54	120.5 (3)
N10—N9—Ni1	113.9 (2)	C56—C55—C54	120.3 (3)
C38—N10—N9	109.6 (3)	C57—C56—C55	119.9 (3)
C38—N10—B2	128.9 (3)	C58—C57—C56	120.0 (4)
N9—N10—B2	121.4 (3)	C59—C58—C57	120.2 (4)
C44—N11—N12	106.9 (3)	C60—C59—C58	120.0 (4)
C44—N11—Ni1	138.7 (2)	C59—C60—C55	120.7 (3)
N12—N11—Ni1	114.0 (2)	N15—C61—C62	110.3 (3)
C46—N12—N11	109.3 (3)	N15—C61—Br9	122.5 (2)
C46—N12—B2	129.7 (3)	C62—C61—Br9	127.3 (3)
N11—N12—B2	120.9 (3)	C63—C62—C61	106.8 (3)
C52—N13—N14	105.8 (3)	C63—C62—Br10	126.1 (3)
C52—N13—Ni2	136.3 (2)	C61—C62—Br10	127.1 (3)
N14—N13—Ni2	117.8 (2)	N16—C63—C62	106.5 (3)
C54—N14—N13	111.0 (3)	N16—C63—C64	124.3 (3)
C54—N14—B3	129.3 (3)	C62—C63—C64	129.2 (3)
N13—N14—B3	119.6 (3)	C65—C64—C69	119.0 (3)
C61—N15—N16	105.8 (2)	C65—C64—C63	122.6 (3)
C61—N15—Ni2	136.6 (2)	C69—C64—C63	118.4 (3)
N16—N15—Ni2	117.47 (19)	C66—C65—C64	120.5 (3)
C63—N16—N15	110.6 (3)	C65—C66—C67	120.1 (3)
C63—N16—B3	130.0 (3)	C68—C67—C66	120.1 (3)
N15—N16—B3	119.3 (3)	C67—C68—C69	120.6 (4)
C70—N17—N18	105.8 (3)	C68—C69—C64	119.7 (3)
C70—N17—Ni2	136.0 (2)	N17—C70—C71	110.5 (3)
N18—N17—Ni2	118.1 (2)	N17—C70—Br11	122.6 (3)
N17—N18—C72	110.1 (3)	C71—C70—Br11	126.9 (3)
N17—N18—B3	119.4 (3)	C72—C71—C70	106.9 (3)
C72—N18—B3	130.3 (3)	C72—C71—Br12	128.0 (3)
C79—N19—N20	106.5 (3)	C70—C71—Br12	125.1 (3)
C79—N19—Ni2	138.6 (2)	C71—C72—N18	106.6 (3)
N20—N19—Ni2	114.2 (2)	C71—C72—C73	129.6 (3)
C81—N20—N19	109.8 (3)	N18—C72—C73	123.7 (3)
C81—N20—B4	129.8 (3)	C78—C73—C74	119.0 (3)
N19—N20—B4	120.5 (3)	C78—C73—C72	123.5 (3)
C87—N21—N22	106.9 (3)	C74—C73—C72	117.5 (3)
C87—N21—Ni2	139.0 (2)	C75—C74—C73	120.0 (4)
N22—N21—Ni2	113.15 (19)	C76—C75—C74	120.4 (4)
C89—N22—N21	110.1 (3)	C75—C76—C77	119.9 (4)
C89—N22—B4	129.2 (3)	C78—C77—C76	120.3 (4)
N21—N22—B4	120.7 (3)	C77—C78—C73	120.2 (4)
C95—N23—N24	107.4 (3)	N19—C79—C80	109.1 (3)
C95—N23—Ni2	138.3 (2)	N19—C79—C82	119.4 (3)
N24—N23—Ni2	114.0 (2)	C80—C79—C82	131.4 (3)
C97—N24—N23	109.6 (3)	C81—C80—C79	105.6 (3)
C97—N24—B4	129.2 (3)	N20—C81—C80	109.0 (3)
N23—N24—B4	121.3 (3)	C79—C82—C83	120.5 (3)
N1—C1—C2	110.8 (3)	C86—C83—C85	110.6 (3)
N1—C1—Br1	123.3 (3)	C86—C83—C84	108.6 (3)
C2—C1—Br1	125.9 (3)	C85—C83—C84	108.4 (3)
C1—C2—C3	106.0 (3)	C86—C83—C82	112.2 (3)
C1—C2—Br2	126.8 (3)	C85—C83—C82	111.2 (3)
C3—C2—Br2	127.2 (3)	C84—C83—C82	105.7 (3)
N2—C3—C2	106.5 (3)	N21—C87—C88	109.3 (3)
N2—C3—C4	122.2 (3)	N21—C87—C90	120.1 (3)
C2—C3—C4	131.3 (3)	C88—C87—C90	130.6 (3)
C9—C4—C5	118.9 (3)	C89—C88—C87	105.7 (3)
C9—C4—C3	120.6 (3)	N22—C89—C88	108.0 (3)
C5—C4—C3	120.5 (3)	C87—C90—C91	119.3 (3)
C6—C5—C4	120.2 (3)	C93—C91—C94	109.8 (3)
C7—C6—C5	119.7 (3)	C93—C91—C92	108.7 (3)
C6—C7—C8	120.9 (4)	C94—C91—C92	107.8 (3)
C9—C8—C7	119.5 (4)	C93—C91—C90	112.9 (3)
C8—C9—C4	120.7 (3)	C94—C91—C90	111.0 (3)
N3—C10—C11	110.8 (3)	C92—C91—C90	106.5 (3)
N3—C10—Br3	122.6 (3)	N23—C95—C96	109.0 (3)
C11—C10—Br3	126.6 (3)	N23—C95—C98	119.9 (3)
C12—C11—C10	106.1 (3)	C96—C95—C98	131.0 (3)
C12—C11—Br4	128.7 (3)	C97—C96—C95	105.7 (3)
C10—C11—Br4	125.2 (3)	N24—C97—C96	108.3 (3)
N4—C12—C11	106.4 (3)	C95—C98—C99	122.2 (3)
N4—C12—C13	124.0 (3)	C100—C99—C98	107.6 (3)
C11—C12—C13	129.6 (3)	C100—C99—C102	109.6 (3)
C18—C13—C14	118.1 (3)	C98—C99—C102	113.3 (3)
C18—C13—C12	121.4 (3)	C100—C99—C101	107.8 (3)
C14—C13—C12	120.5 (3)	C98—C99—C101	110.7 (3)
C15—C14—C13	120.4 (4)	C102—C99—C101	107.7 (3)
C1—N1—N2—C3	0.5 (3)	C22—C23—C24—C25	−0.6 (6)
Ni1—N1—N2—C3	174.7 (2)	C23—C24—C25—C26	0.4 (6)
C1—N1—N2—B1	173.9 (3)	C24—C25—C26—C27	0.6 (6)
Ni1—N1—N2—B1	−11.8 (3)	C25—C26—C27—C22	−1.4 (5)
N4—B1—N2—C3	−121.0 (3)	C23—C22—C27—C26	1.1 (5)
N6—B1—N2—C3	119.6 (3)	C21—C22—C27—C26	179.9 (3)
N4—B1—N2—N1	66.9 (4)	N8—N7—C28—C29	−0.2 (4)
N6—B1—N2—N1	−52.5 (4)	Ni1—N7—C28—C29	173.5 (3)
C10—N3—N4—C12	−0.7 (3)	N8—N7—C28—C31	−176.3 (3)
Ni1—N3—N4—C12	176.9 (2)	Ni1—N7—C28—C31	−2.6 (5)
C10—N3—N4—B1	173.4 (3)	N7—C28—C29—C30	0.2 (4)
Ni1—N3—N4—B1	−9.0 (3)	C31—C28—C29—C30	175.8 (4)
N6—B1—N4—C12	−122.1 (3)	N7—N8—C30—C29	0.0 (4)
N2—B1—N4—C12	119.5 (3)	B2—N8—C30—C29	−179.1 (3)
N6—B1—N4—N3	65.1 (3)	C28—C29—C30—N8	−0.2 (4)
N2—B1—N4—N3	−53.3 (4)	N7—C28—C31—C32	−160.5 (3)
C19—N5—N6—C21	−0.7 (3)	C29—C28—C31—C32	24.4 (6)
Ni1—N5—N6—C21	172.8 (2)	C28—C31—C32—C35	−70.8 (5)
C19—N5—N6—B1	176.1 (3)	C28—C31—C32—C33	169.8 (3)
Ni1—N5—N6—B1	−10.4 (3)	C28—C31—C32—C34	52.7 (5)
N4—B1—N6—C21	123.1 (3)	N10—N9—C36—C37	1.3 (4)
N2—B1—N6—C21	−117.6 (3)	Ni1—N9—C36—C37	−179.0 (3)
N4—B1—N6—N5	−53.0 (4)	N10—N9—C36—C39	−175.1 (3)
N2—B1—N6—N5	66.3 (3)	Ni1—N9—C36—C39	4.7 (5)
C28—N7—N8—C30	0.1 (4)	N9—C36—C37—C38	−1.2 (4)
Ni1—N7—N8—C30	−175.4 (2)	C39—C36—C37—C38	174.6 (3)
C28—N7—N8—B2	179.3 (3)	N9—N10—C38—C37	0.0 (4)
Ni1—N7—N8—B2	3.8 (3)	B2—N10—C38—C37	177.2 (3)
N12—B2—N8—C30	−123.6 (4)	C36—C37—C38—N10	0.7 (4)
N10—B2—N8—C30	116.8 (4)	N9—C36—C39—C40	−152.8 (3)
N12—B2—N8—N7	57.4 (4)	C37—C36—C39—C40	31.8 (5)
N10—B2—N8—N7	−62.2 (4)	C36—C39—C40—C43	51.5 (5)
C36—N9—N10—C38	−0.8 (4)	C36—C39—C40—C42	−71.6 (4)
Ni1—N9—N10—C38	179.4 (2)	C36—C39—C40—C41	170.9 (3)
C36—N9—N10—B2	−178.2 (3)	N12—N11—C44—C45	−0.9 (4)
Ni1—N9—N10—B2	2.0 (4)	Ni1—N11—C44—C45	171.4 (3)
N12—B2—N10—C38	123.5 (4)	N12—N11—C44—C47	175.2 (3)
N8—B2—N10—C38	−118.0 (4)	Ni1—N11—C44—C47	−12.5 (5)
N12—B2—N10—N9	−59.6 (4)	N11—C44—C45—C46	0.8 (4)
N8—B2—N10—N9	58.9 (4)	C47—C44—C45—C46	−174.7 (4)
C44—N11—N12—C46	0.7 (4)	N11—N12—C46—C45	−0.3 (4)
Ni1—N11—N12—C46	−173.7 (2)	B2—N12—C46—C45	−179.8 (3)
C44—N11—N12—B2	−179.6 (3)	C44—C45—C46—N12	−0.3 (4)
Ni1—N11—N12—B2	5.9 (4)	N11—C44—C47—C48	167.0 (3)
N8—B2—N12—C46	115.2 (4)	C45—C44—C47—C48	−17.9 (6)
N10—B2—N12—C46	−126.2 (4)	C44—C47—C48—C51	64.0 (5)
N8—B2—N12—N11	−64.3 (4)	C44—C47—C48—C50	−59.4 (5)
N10—B2—N12—N11	54.3 (4)	C44—C47—C48—C49	−176.5 (3)
C52—N13—N14—C54	0.8 (3)	N14—N13—C52—C53	−0.1 (4)
Ni2—N13—N14—C54	178.0 (2)	Ni2—N13—C52—C53	−176.6 (2)
C52—N13—N14—B3	−175.9 (3)	N14—N13—C52—Br7	−178.8 (2)
Ni2—N13—N14—B3	1.4 (4)	Ni2—N13—C52—Br7	4.7 (5)
N18—B3—N14—C54	−118.3 (4)	N13—C52—C53—C54	−0.6 (4)
N16—B3—N14—C54	122.9 (3)	Br7—C52—C53—C54	178.1 (2)
N18—B3—N14—N13	57.6 (4)	N13—C52—C53—Br8	−178.9 (2)
N16—B3—N14—N13	−61.2 (4)	Br7—C52—C53—Br8	−0.2 (5)
C61—N15—N16—C63	−0.5 (3)	N13—N14—C54—C53	−1.1 (4)
Ni2—N15—N16—C63	176.5 (2)	B3—N14—C54—C53	175.2 (3)
C61—N15—N16—B3	−176.8 (3)	N13—N14—C54—C55	174.7 (3)
Ni2—N15—N16—B3	0.2 (3)	B3—N14—C54—C55	−9.0 (5)
N18—B3—N16—C63	124.9 (3)	C52—C53—C54—N14	1.0 (4)
N14—B3—N16—C63	−115.9 (3)	Br8—C53—C54—N14	179.3 (2)
N18—B3—N16—N15	−59.6 (4)	C52—C53—C54—C55	−174.5 (3)
N14—B3—N16—N15	59.6 (4)	Br8—C53—C54—C55	3.8 (5)
C70—N17—N18—C72	−1.2 (3)	N14—C54—C55—C60	−49.5 (5)
Ni2—N17—N18—C72	176.3 (2)	C53—C54—C55—C60	125.3 (4)
C70—N17—N18—B3	−176.8 (3)	N14—C54—C55—C56	134.6 (3)
Ni2—N17—N18—B3	0.8 (3)	C53—C54—C55—C56	−50.6 (5)
N16—B3—N18—N17	59.3 (4)	C60—C55—C56—C57	0.8 (5)
N14—B3—N18—N17	−58.6 (4)	C54—C55—C56—C57	176.8 (3)
N16—B3—N18—C72	−115.2 (4)	C55—C56—C57—C58	0.9 (5)
N14—B3—N18—C72	126.9 (3)	C56—C57—C58—C59	−0.8 (6)
C79—N19—N20—C81	1.6 (4)	C57—C58—C59—C60	−0.9 (6)
Ni2—N19—N20—C81	−170.7 (2)	C58—C59—C60—C55	2.7 (5)
C79—N19—N20—B4	−177.5 (3)	C56—C55—C60—C59	−2.6 (5)
Ni2—N19—N20—B4	10.2 (4)	C54—C55—C60—C59	−178.5 (3)
N24—B4—N20—C81	−127.5 (4)	N16—N15—C61—C62	0.6 (4)
N22—B4—N20—C81	114.4 (4)	Ni2—N15—C61—C62	−175.5 (2)
N24—B4—N20—N19	51.4 (4)	N16—N15—C61—Br9	−179.2 (2)
N22—B4—N20—N19	−66.8 (4)	Ni2—N15—C61—Br9	4.7 (5)
C87—N21—N22—C89	0.4 (4)	N15—C61—C62—C63	−0.4 (4)
Ni2—N21—N22—C89	−170.6 (2)	Br9—C61—C62—C63	179.3 (2)
C87—N21—N22—B4	−178.3 (3)	N15—C61—C62—Br10	−179.6 (2)
Ni2—N21—N22—B4	10.7 (3)	Br9—C61—C62—Br10	0.2 (5)
N24—B4—N22—C89	114.7 (4)	N15—N16—C63—C62	0.2 (4)
N20—B4—N22—C89	−126.2 (4)	B3—N16—C63—C62	176.0 (3)
N24—B4—N22—N21	−66.9 (4)	N15—N16—C63—C64	−179.6 (3)
N20—B4—N22—N21	52.3 (4)	B3—N16—C63—C64	−3.8 (5)
C95—N23—N24—C97	−0.1 (4)	C61—C62—C63—N16	0.1 (4)
Ni2—N23—N24—C97	−175.0 (2)	Br10—C62—C63—N16	179.2 (2)
C95—N23—N24—B4	−178.8 (3)	C61—C62—C63—C64	180.0 (3)
Ni2—N23—N24—B4	6.2 (4)	Br10—C62—C63—C64	−0.9 (5)
N22—B4—N24—C97	−122.2 (3)	N16—C63—C64—C65	−53.5 (5)
N20—B4—N24—C97	119.3 (4)	C62—C63—C64—C65	126.7 (4)
N22—B4—N24—N23	56.2 (4)	N16—C63—C64—C69	128.1 (4)
N20—B4—N24—N23	−62.2 (4)	C62—C63—C64—C69	−51.7 (5)
N2—N1—C1—C2	−1.1 (4)	C69—C64—C65—C66	−0.6 (5)
Ni1—N1—C1—C2	−173.6 (2)	C63—C64—C65—C66	−179.0 (3)
N2—N1—C1—Br1	179.1 (2)	C64—C65—C66—C67	0.8 (5)
Ni1—N1—C1—Br1	6.5 (5)	C65—C66—C67—C68	−0.5 (5)
N1—C1—C2—C3	1.2 (4)	C66—C67—C68—C69	0.0 (6)
Br1—C1—C2—C3	−178.9 (2)	C67—C68—C69—C64	0.1 (5)
N1—C1—C2—Br2	179.0 (2)	C65—C64—C69—C68	0.2 (5)
Br1—C1—C2—Br2	−1.1 (5)	C63—C64—C69—C68	178.6 (3)
N1—N2—C3—C2	0.3 (4)	N18—N17—C70—C71	0.2 (4)
B1—N2—C3—C2	−172.4 (3)	Ni2—N17—C70—C71	−176.7 (2)
N1—N2—C3—C4	−178.9 (3)	N18—N17—C70—Br11	−177.9 (2)
B1—N2—C3—C4	8.5 (5)	Ni2—N17—C70—Br11	5.2 (5)
C1—C2—C3—N2	−0.9 (4)	N17—C70—C71—C72	0.8 (4)
Br2—C2—C3—N2	−178.6 (2)	Br11—C70—C71—C72	178.8 (3)
C1—C2—C3—C4	178.2 (3)	N17—C70—C71—Br12	−177.3 (2)
Br2—C2—C3—C4	0.4 (6)	Br11—C70—C71—Br12	0.7 (5)
N2—C3—C4—C9	45.7 (5)	C70—C71—C72—N18	−1.6 (4)
C2—C3—C4—C9	−133.2 (4)	Br12—C71—C72—N18	176.5 (2)
N2—C3—C4—C5	−132.1 (3)	C70—C71—C72—C73	174.6 (3)
C2—C3—C4—C5	48.9 (5)	Br12—C71—C72—C73	−7.4 (6)
C9—C4—C5—C6	−2.4 (5)	N17—N18—C72—C71	1.8 (4)
C3—C4—C5—C6	175.5 (3)	B3—N18—C72—C71	176.6 (3)
C4—C5—C6—C7	−0.5 (5)	N17—N18—C72—C73	−174.7 (3)
C5—C6—C7—C8	1.6 (6)	B3—N18—C72—C73	0.2 (5)
C6—C7—C8—C9	0.3 (6)	C71—C72—C73—C78	131.1 (4)
C7—C8—C9—C4	−3.2 (6)	N18—C72—C73—C78	−53.3 (5)
C5—C4—C9—C8	4.2 (5)	C71—C72—C73—C74	−50.2 (5)
C3—C4—C9—C8	−173.7 (3)	N18—C72—C73—C74	125.3 (4)
N4—N3—C10—C11	0.1 (4)	C78—C73—C74—C75	0.5 (5)
Ni1—N3—C10—C11	−176.7 (2)	C72—C73—C74—C75	−178.2 (3)
N4—N3—C10—Br3	179.2 (2)	C73—C74—C75—C76	1.1 (6)
Ni1—N3—C10—Br3	2.4 (5)	C74—C75—C76—C77	−1.3 (6)
N3—C10—C11—C12	0.4 (4)	C75—C76—C77—C78	−0.1 (6)
Br3—C10—C11—C12	−178.6 (3)	C76—C77—C78—C73	1.7 (6)
N3—C10—C11—Br4	179.0 (2)	C74—C73—C78—C77	−1.9 (5)
Br3—C10—C11—Br4	−0.1 (5)	C72—C73—C78—C77	176.7 (3)
N3—N4—C12—C11	0.9 (4)	N20—N19—C79—C80	−1.5 (4)
B1—N4—C12—C11	−172.3 (3)	Ni2—N19—C79—C80	167.8 (3)
N3—N4—C12—C13	−179.1 (3)	N20—N19—C79—C82	174.7 (3)
B1—N4—C12—C13	7.6 (5)	Ni2—N19—C79—C82	−16.0 (5)
C10—C11—C12—N4	−0.8 (4)	N19—C79—C80—C81	1.0 (4)
Br4—C11—C12—N4	−179.3 (3)	C82—C79—C80—C81	−174.6 (3)
C10—C11—C12—C13	179.3 (3)	N19—N20—C81—C80	−1.0 (4)
Br4—C11—C12—C13	0.8 (6)	B4—N20—C81—C80	178.0 (3)
N4—C12—C13—C18	46.2 (5)	C79—C80—C81—N20	0.0 (4)
C11—C12—C13—C18	−133.9 (4)	N19—C79—C82—C83	163.9 (3)
N4—C12—C13—C14	−133.6 (4)	C80—C79—C82—C83	−20.9 (6)
C11—C12—C13—C14	46.3 (5)	C79—C82—C83—C86	69.6 (4)
C18—C13—C14—C15	−0.2 (5)	C79—C82—C83—C85	−54.9 (4)
C12—C13—C14—C15	179.6 (3)	C79—C82—C83—C84	−172.3 (3)
C13—C14—C15—C16	−1.3 (6)	N22—N21—C87—C88	−0.5 (4)
C14—C15—C16—C17	1.0 (6)	Ni2—N21—C87—C88	166.7 (3)
C15—C16—C17—C18	0.9 (6)	N22—N21—C87—C90	−179.0 (3)
C16—C17—C18—C13	−2.5 (6)	Ni2—N21—C87—C90	−11.7 (5)
C14—C13—C18—C17	2.1 (5)	N21—C87—C88—C89	0.5 (4)
C12—C13—C18—C17	−177.6 (3)	C90—C87—C88—C89	178.7 (3)
N6—N5—C19—C20	0.7 (4)	N21—N22—C89—C88	0.0 (4)
Ni1—N5—C19—C20	−170.9 (2)	B4—N22—C89—C88	178.5 (3)
N6—N5—C19—Br5	178.7 (2)	C87—C88—C89—N22	−0.3 (4)
Ni1—N5—C19—Br5	7.2 (5)	N21—C87—C90—C91	−152.0 (3)
N5—C19—C20—C21	−0.4 (4)	C88—C87—C90—C91	29.9 (6)
Br5—C19—C20—C21	−178.3 (2)	C87—C90—C91—C93	46.1 (5)
N5—C19—C20—Br6	175.5 (2)	C87—C90—C91—C94	−77.6 (4)
Br5—C19—C20—Br6	−2.5 (5)	C87—C90—C91—C92	165.3 (3)
N5—N6—C21—C20	0.4 (3)	N24—N23—C95—C96	1.1 (4)
B1—N6—C21—C20	−176.0 (3)	Ni2—N23—C95—C96	174.2 (3)
N5—N6—C21—C22	−179.2 (3)	N24—N23—C95—C98	−173.8 (3)
B1—N6—C21—C22	4.4 (5)	Ni2—N23—C95—C98	−0.7 (6)
C19—C20—C21—N6	0.0 (4)	N23—C95—C96—C97	−1.7 (4)
Br6—C20—C21—N6	−175.8 (2)	C98—C95—C96—C97	172.5 (4)
C19—C20—C21—C22	179.6 (3)	N23—N24—C97—C96	−1.0 (4)
Br6—C20—C21—C22	3.7 (5)	B4—N24—C97—C96	177.6 (3)
N6—C21—C22—C23	−133.6 (3)	C95—C96—C97—N24	1.6 (4)
C20—C21—C22—C23	46.9 (5)	N23—C95—C98—C99	−156.8 (4)
N6—C21—C22—C27	47.7 (5)	C96—C95—C98—C99	29.5 (7)
C20—C21—C22—C27	−131.8 (4)	C95—C98—C99—C100	170.5 (4)
C27—C22—C23—C24	−0.1 (5)	C95—C98—C99—C102	−68.3 (5)
C21—C22—C23—C24	−179.0 (3)	C95—C98—C99—C101	52.8 (5)