Tris(tert-butyl isocyanide-κC)carbonylnickel(0).

The title compound, [Ni(C(5)H(9)N)(3)(CO)], was prepared from Ni(CO)(4) and a tenfold excess of tert-butyl isocyanide. It crystallizes with two symmetry-independent mol-ecules per asymmetric unit. The central Ni atom of each independent mol-ecule has a nearly perfect tetra-hedral coordination environment, comprising one carbon monoxide and three isocyanide ligands. The title compound is the first structurally characterized Ni(0) compound with a mixed CO/RNC coordination.

Related literature

For related literature, see: Braga et al. (1993 ▶); Farrugia & Evans (2005 ▶); Hahn et al. (2004 ▶); Ladell et al. (1952 ▶); Bigorgne (1963a ▶,b ▶); Dönnecke & Imhof (2003 ▶); Desiraju & Steiner (1999 ▶); Halbauer et al. (2006 ▶, 2007 ▶); Imhof & Halbauer (2006 ▶); Imhof, Halbauer, Dönnecke & Görls (2006 ▶); Ostuka et al. (1969 ▶, 1971 ▶).

Experimental

Crystal data

[Ni(C5H9N)3(CO)]

M = 336.11

Monoclinic,

a = 17.1621 (7) Å

b = 14.5687 (5) Å

c = 17.1627 (7) Å

β = 113.179 (3)°

V = 3944.8 (3) Å3

Z = 8

Mo Kα radiation

μ = 0.99 mm−1

T = 183 (2) K

0.06 × 0.05 × 0.05 mm

Data collection

Nonius KappaCCD diffractometer

Absorption correction: none

26227 measured reflections

9006 independent reflections

5006 reflections with I > 2σ(I)

R int = 0.083

Refinement

R[F 2 > 2σ(F 2)] = 0.055

wR(F 2) = 0.136

S = 1.01

9006 reflections

397 parameters

H-atom parameters constrained

Δρmax = 0.59 e Å−3

Δρmin = −0.58 e Å−3

Data collection: COLLECT (Nonius, 1998 ▶); cell refinement: DENZO (Otwinowski & Minor, 1997 ▶); data reduction: DENZO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: XP (Siemens, 1990 ▶); software used to prepare material for publication: SHELXL97 and XP.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808020138/fj2122sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808020138/fj2122Isup2.hkl

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

[Ni(C5H9N)3(CO)]	F000 = 1440
Mr = 336.11	Dx = 1.132 Mg m−3
Monoclinic, P21/n	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 26227 reflections
a = 17.1621 (7) Å	θ = 2.6–27.5º
b = 14.5687 (5) Å	µ = 0.99 mm−1
c = 17.1627 (7) Å	T = 183 (2) K
β = 113.179 (3)º	Prism, colourless
V = 3944.8 (3) Å3	0.06 × 0.05 × 0.05 mm
Z = 8

Nonius KappaCCD diffractometer	5006 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.083
Monochromator: graphite	θmax = 27.5º
T = 183(2) K	θmin = 2.6º
φ and ω scans	h = −18→22
Absorption correction: none	k = −17→18
26227 measured reflections	l = −19→22
9006 independent reflections

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.055	H-atom parameters constrained
wR(F2) = 0.136	w = 1/[σ2(Fo2) + (0.0556P)2 + 0.2606P] where P = (Fo2 + 2Fc2)/3
S = 1.01	(Δ/σ)max = 0.001
9006 reflections	Δρmax = 0.59 e Å−3
397 parameters	Δρmin = −0.58 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

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

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	Uiso*/Ueq
Ni1A	0.05645 (3)	0.23726 (3)	0.89365 (3)	0.03256 (13)
O1A	0.1424 (2)	0.3476 (2)	1.0444 (2)	0.0930 (11)
N1A	0.15666 (18)	0.27062 (19)	0.78571 (19)	0.0442 (7)
N2A	−0.13150 (19)	0.27889 (19)	0.8137 (2)	0.0474 (8)
N3A	0.06472 (17)	0.03062 (18)	0.91591 (19)	0.0406 (7)
C1A	0.1073 (3)	0.3018 (3)	0.9861 (3)	0.0495 (10)
C2A	0.1142 (2)	0.2584 (2)	0.8233 (2)	0.0368 (8)
C3A	0.2158 (2)	0.2906 (3)	0.7461 (2)	0.0495 (10)
C4A	0.2853 (2)	0.3508 (3)	0.8056 (3)	0.0604 (11)
H4AA	0.3132	0.3194	0.8600	0.091*
H4AB	0.2608	0.4087	0.8145	0.091*
H4AC	0.3269	0.3636	0.7810	0.091*
C5A	0.2521 (3)	0.2004 (3)	0.7310 (3)	0.0850 (16)
H5AA	0.2791	0.1676	0.7848	0.128*
H5AB	0.2943	0.2128	0.7070	0.128*
H5AC	0.2064	0.1627	0.6913	0.128*
C6A	0.1655 (3)	0.3404 (4)	0.6631 (3)	0.0858 (16)
H6AA	0.1387	0.3950	0.6749	0.129*
H6AB	0.1218	0.2993	0.6252	0.129*
H6AC	0.2038	0.3587	0.6360	0.129*
C7A	−0.0591 (2)	0.2639 (2)	0.8422 (2)	0.0389 (8)
C8A	−0.2222 (2)	0.2960 (3)	0.7798 (3)	0.0517 (10)
C9A	−0.2462 (3)	0.3409 (4)	0.6944 (3)	0.0969 (18)
H9AA	−0.2201	0.4018	0.7016	0.145*
H9AB	−0.3080	0.3470	0.6672	0.145*
H9AC	−0.2262	0.3030	0.6588	0.145*
C10A	−0.2666 (3)	0.2032 (3)	0.7710 (3)	0.0737 (13)
H10A	−0.2509	0.1635	0.7333	0.111*
H10B	−0.3281	0.2124	0.7470	0.111*
H10C	−0.2491	0.1743	0.8268	0.111*
C11A	−0.2407 (3)	0.3558 (3)	0.8424 (3)	0.0732 (13)
H11A	−0.2107	0.4144	0.8487	0.110*
H11B	−0.2215	0.3247	0.8974	0.110*
H11C	−0.3018	0.3672	0.8217	0.110*
C12A	0.0622 (2)	0.1099 (2)	0.9093 (2)	0.0377 (8)
C13A	0.0707 (2)	−0.0698 (2)	0.9185 (2)	0.0369 (8)
C14A	−0.0192 (2)	−0.1076 (2)	0.8829 (3)	0.0506 (10)
H14A	−0.0489	−0.0863	0.8245	0.076*
H14B	−0.0492	−0.0861	0.9176	0.076*
H14C	−0.0173	−0.1749	0.8838	0.076*
C15A	0.1184 (2)	−0.0983 (2)	0.8643 (2)	0.0495 (10)
H15A	0.0867	−0.0786	0.8057	0.074*
H15B	0.1248	−0.1652	0.8661	0.074*
H15C	0.1746	−0.0695	0.8862	0.074*
C16A	0.1176 (2)	−0.0972 (2)	1.0110 (2)	0.0458 (9)
H16A	0.1735	−0.0679	1.0337	0.069*
H16B	0.1245	−0.1641	1.0150	0.069*
H16C	0.0850	−0.0774	1.0437	0.069*
Ni1B	−0.03653 (3)	0.74217 (3)	0.61221 (3)	0.03316 (13)
O1B	−0.21523 (19)	0.7099 (2)	0.5102 (2)	0.0873 (11)
N1B	0.06832 (18)	0.66226 (18)	0.52198 (19)	0.0408 (7)
N2B	−0.03902 (19)	0.9488 (2)	0.62247 (19)	0.0462 (8)
N3B	0.0221 (2)	0.64140 (19)	0.7800 (2)	0.0467 (8)
C1B	−0.1440 (3)	0.7201 (3)	0.5515 (3)	0.0493 (10)
C2B	0.0296 (2)	0.6961 (2)	0.5572 (2)	0.0355 (8)
C3B	0.1153 (2)	0.6134 (2)	0.4808 (3)	0.0440 (9)
C4B	0.1229 (6)	0.5173 (4)	0.5100 (7)	0.245 (6)
H4BA	0.0662	0.4912	0.4951	0.368*
H4BB	0.1540	0.5152	0.5716	0.368*
H4BC	0.1535	0.4816	0.4826	0.368*
C5B	0.0701 (4)	0.6220 (6)	0.3882 (4)	0.175 (4)
H5BA	0.0166	0.5880	0.3697	0.262*
H5BB	0.1053	0.5970	0.3601	0.262*
H5BC	0.0582	0.6869	0.3731	0.262*
C6B	0.2014 (3)	0.6551 (4)	0.5071 (4)	0.101 (2)
H6BA	0.1960	0.7188	0.4874	0.152*
H6BB	0.2346	0.6201	0.4822	0.152*
H6BC	0.2300	0.6537	0.5690	0.152*
C7B	−0.0316 (2)	0.8695 (2)	0.6218 (2)	0.0361 (8)
C8B	−0.0605 (3)	1.0458 (2)	0.6121 (3)	0.0574 (11)
C9B	0.0215 (5)	1.0972 (4)	0.6294 (5)	0.160 (4)
H9BA	0.0617	1.0844	0.6874	0.241*
H9BB	0.0100	1.1633	0.6229	0.241*
H9BC	0.0457	1.0772	0.5892	0.241*
C10B	−0.1210 (6)	1.0587 (4)	0.5234 (3)	0.190 (5)
H10D	−0.1738	1.0260	0.5143	0.286*
H10E	−0.0964	1.0345	0.4849	0.286*
H10F	−0.1330	1.1243	0.5123	0.286*
C11B	−0.0955 (3)	1.0733 (3)	0.6757 (3)	0.0795 (15)
H11D	−0.1445	1.0347	0.6689	0.119*
H11E	−0.1131	1.1378	0.6669	0.119*
H11F	−0.0518	1.0655	0.7329	0.119*
C12B	0.0011 (2)	0.6833 (2)	0.7177 (3)	0.0423 (9)
C13B	0.0452 (2)	0.5740 (2)	0.8480 (2)	0.0468 (10)
C14B	0.1115 (3)	0.5123 (3)	0.8381 (4)	0.0912 (18)
H14D	0.0882	0.4831	0.7821	0.137*
H14E	0.1281	0.4650	0.8822	0.137*
H14F	0.1613	0.5490	0.8435	0.137*
C15B	0.0784 (4)	0.6238 (3)	0.9314 (3)	0.0905 (18)
H15D	0.1295	0.6581	0.9373	0.136*
H15E	0.0921	0.5793	0.9778	0.136*
H15F	0.0351	0.6665	0.9335	0.136*
C16B	−0.0329 (3)	0.5185 (3)	0.8384 (3)	0.0729 (13)
H16D	−0.0524	0.4844	0.7849	0.109*
H16E	−0.0779	0.5600	0.8383	0.109*
H16F	−0.0189	0.4753	0.8858	0.109*

	U11	U22	U33	U12	U13	U23
Ni1A	0.0291 (2)	0.0315 (2)	0.0424 (3)	0.00252 (17)	0.0198 (2)	0.00508 (19)
O1A	0.107 (3)	0.100 (3)	0.059 (2)	−0.005 (2)	0.017 (2)	−0.029 (2)
N1A	0.0384 (17)	0.0591 (18)	0.0423 (19)	0.0001 (14)	0.0235 (16)	0.0023 (14)
N2A	0.0310 (18)	0.0544 (19)	0.059 (2)	0.0067 (14)	0.0195 (16)	0.0065 (15)
N3A	0.0365 (17)	0.0355 (17)	0.055 (2)	0.0067 (12)	0.0233 (15)	0.0101 (13)
C1A	0.054 (3)	0.052 (2)	0.049 (3)	0.0049 (18)	0.027 (2)	0.001 (2)
C2A	0.0321 (18)	0.0364 (18)	0.042 (2)	0.0037 (14)	0.0146 (16)	0.0029 (15)
C3A	0.037 (2)	0.084 (3)	0.036 (2)	0.0044 (19)	0.0229 (19)	0.004 (2)
C4A	0.044 (3)	0.087 (3)	0.056 (3)	−0.008 (2)	0.025 (2)	0.004 (2)
C5A	0.073 (3)	0.107 (4)	0.101 (4)	0.001 (3)	0.062 (3)	−0.023 (3)
C6A	0.046 (3)	0.167 (5)	0.049 (3)	0.006 (3)	0.024 (2)	0.028 (3)
C7A	0.038 (2)	0.0364 (18)	0.048 (2)	0.0006 (15)	0.0237 (19)	0.0067 (16)
C8A	0.029 (2)	0.080 (3)	0.047 (3)	0.0111 (18)	0.0161 (19)	0.016 (2)
C9A	0.054 (3)	0.165 (5)	0.074 (4)	0.024 (3)	0.027 (3)	0.052 (4)
C10A	0.046 (3)	0.108 (4)	0.062 (3)	−0.013 (2)	0.016 (2)	0.001 (3)
C11A	0.055 (3)	0.090 (3)	0.087 (4)	0.013 (2)	0.041 (3)	−0.005 (3)
C12A	0.0289 (19)	0.040 (2)	0.050 (3)	0.0031 (14)	0.0220 (18)	0.0062 (16)
C13A	0.038 (2)	0.0294 (17)	0.048 (2)	0.0064 (14)	0.0219 (18)	0.0076 (15)
C14A	0.041 (2)	0.043 (2)	0.068 (3)	−0.0038 (16)	0.023 (2)	−0.0006 (18)
C15A	0.046 (2)	0.059 (2)	0.048 (3)	0.0130 (18)	0.023 (2)	0.0020 (18)
C16A	0.053 (2)	0.042 (2)	0.046 (3)	0.0088 (16)	0.024 (2)	0.0057 (17)
Ni1B	0.0321 (2)	0.0330 (2)	0.0378 (3)	−0.00067 (17)	0.0174 (2)	−0.00341 (19)
O1B	0.0411 (19)	0.140 (3)	0.085 (3)	−0.0278 (18)	0.0283 (18)	−0.053 (2)
N1B	0.0389 (17)	0.0412 (16)	0.049 (2)	0.0042 (13)	0.0247 (16)	−0.0002 (14)
N2B	0.052 (2)	0.0366 (17)	0.044 (2)	0.0012 (13)	0.0119 (16)	−0.0018 (13)
N3B	0.059 (2)	0.0396 (17)	0.047 (2)	0.0062 (14)	0.0271 (18)	0.0058 (15)
C1B	0.043 (2)	0.060 (2)	0.053 (3)	−0.0105 (18)	0.027 (2)	−0.0198 (19)
C2B	0.0324 (19)	0.0351 (18)	0.038 (2)	−0.0013 (14)	0.0129 (17)	0.0000 (15)
C3B	0.041 (2)	0.043 (2)	0.058 (3)	0.0052 (15)	0.030 (2)	−0.0093 (18)
C4B	0.374 (13)	0.045 (3)	0.525 (18)	0.053 (5)	0.401 (14)	0.044 (6)
C5B	0.056 (4)	0.388 (13)	0.071 (5)	0.054 (5)	0.014 (3)	−0.090 (6)
C6B	0.045 (3)	0.172 (5)	0.094 (4)	−0.019 (3)	0.037 (3)	−0.065 (4)
C7B	0.034 (2)	0.043 (2)	0.032 (2)	0.0000 (15)	0.0128 (17)	−0.0001 (15)
C8B	0.096 (3)	0.0279 (19)	0.053 (3)	0.0079 (19)	0.034 (3)	0.0045 (17)
C9B	0.202 (8)	0.051 (3)	0.311 (12)	−0.035 (4)	0.189 (8)	−0.033 (5)
C10B	0.348 (12)	0.101 (4)	0.046 (4)	0.130 (6)	−0.005 (5)	0.005 (3)
C11B	0.123 (4)	0.054 (3)	0.077 (4)	0.022 (3)	0.056 (3)	0.008 (2)
C12B	0.049 (2)	0.0350 (19)	0.052 (3)	−0.0004 (15)	0.029 (2)	−0.0063 (18)
C13B	0.066 (3)	0.0312 (19)	0.048 (3)	0.0040 (17)	0.028 (2)	0.0081 (17)
C14B	0.104 (4)	0.064 (3)	0.132 (5)	0.031 (3)	0.074 (4)	0.039 (3)
C15B	0.147 (5)	0.059 (3)	0.044 (3)	−0.022 (3)	0.015 (3)	0.004 (2)
C16B	0.090 (4)	0.056 (3)	0.076 (4)	−0.013 (2)	0.037 (3)	0.007 (2)

Ni1A—C1A	1.753 (4)	Ni1B—C1B	1.755 (4)
Ni1A—C2A	1.864 (3)	Ni1B—C7B	1.861 (3)
Ni1A—C7A	1.867 (4)	Ni1B—C2B	1.864 (3)
Ni1A—C12A	1.872 (3)	Ni1B—C12B	1.874 (4)
O1A—C1A	1.155 (5)	O1B—C1B	1.156 (4)
N1A—C2A	1.162 (4)	N1B—C2B	1.169 (4)
N1A—C3A	1.457 (4)	N1B—C3B	1.451 (4)
N2A—C7A	1.162 (4)	N2B—C7B	1.163 (4)
N2A—C8A	1.453 (4)	N2B—C8B	1.454 (4)
N3A—C12A	1.159 (4)	N3B—C12B	1.158 (4)
N3A—C13A	1.466 (4)	N3B—C13B	1.457 (5)
C3A—C4A	1.509 (5)	C3B—C5B	1.475 (7)
C3A—C5A	1.519 (6)	C3B—C4B	1.475 (6)
C3A—C6A	1.526 (5)	C3B—C6B	1.493 (5)
C4A—H4AA	0.9800	C4B—H4BA	0.9800
C4A—H4AB	0.9800	C4B—H4BB	0.9800
C4A—H4AC	0.9800	C4B—H4BC	0.9800
C5A—H5AA	0.9800	C5B—H5BA	0.9800
C5A—H5AB	0.9800	C5B—H5BB	0.9800
C5A—H5AC	0.9800	C5B—H5BC	0.9800
C6A—H6AA	0.9800	C6B—H6BA	0.9800
C6A—H6AB	0.9800	C6B—H6BB	0.9800
C6A—H6AC	0.9800	C6B—H6BC	0.9800
C8A—C9A	1.507 (6)	C8B—C10B	1.479 (7)
C8A—C11A	1.511 (5)	C8B—C11B	1.492 (5)
C8A—C10A	1.529 (6)	C8B—C9B	1.515 (7)
C9A—H9AA	0.9800	C9B—H9BA	0.9800
C9A—H9AB	0.9800	C9B—H9BB	0.9800
C9A—H9AC	0.9800	C9B—H9BC	0.9800
C10A—H10A	0.9800	C10B—H10D	0.9800
C10A—H10B	0.9800	C10B—H10E	0.9800
C10A—H10C	0.9800	C10B—H10F	0.9800
C11A—H11A	0.9800	C11B—H11D	0.9800
C11A—H11B	0.9800	C11B—H11E	0.9800
C11A—H11C	0.9800	C11B—H11F	0.9800
C13A—C15A	1.519 (4)	C13B—C15B	1.503 (6)
C13A—C16A	1.523 (5)	C13B—C16B	1.517 (5)
C13A—C14A	1.522 (5)	C13B—C14B	1.512 (5)
C14A—H14A	0.9800	C14B—H14D	0.9800
C14A—H14B	0.9800	C14B—H14E	0.9800
C14A—H14C	0.9800	C14B—H14F	0.9800
C15A—H15A	0.9800	C15B—H15D	0.9800
C15A—H15B	0.9800	C15B—H15E	0.9800
C15A—H15C	0.9800	C15B—H15F	0.9800
C16A—H16A	0.9800	C16B—H16D	0.9800
C16A—H16B	0.9800	C16B—H16E	0.9800
C16A—H16C	0.9800	C16B—H16F	0.9800
C1A—Ni1A—C2A	107.16 (16)	C1B—Ni1B—C7B	103.66 (16)
C1A—Ni1A—C7A	111.99 (16)	C1B—Ni1B—C2B	109.91 (15)
C2A—Ni1A—C7A	113.31 (15)	C7B—Ni1B—C2B	112.86 (14)
C1A—Ni1A—C12A	114.96 (17)	C1B—Ni1B—C12B	111.80 (17)
C2A—Ni1A—C12A	104.26 (13)	C7B—Ni1B—C12B	112.61 (14)
C7A—Ni1A—C12A	105.07 (14)	C2B—Ni1B—C12B	106.11 (14)
C2A—N1A—C3A	174.3 (4)	C2B—N1B—C3B	175.5 (3)
C7A—N2A—C8A	178.4 (4)	C7B—N2B—C8B	171.2 (4)
C12A—N3A—C13A	175.1 (3)	C12B—N3B—C13B	169.3 (4)
O1A—C1A—Ni1A	176.1 (4)	O1B—C1B—Ni1B	176.7 (4)
N1A—C2A—Ni1A	174.0 (3)	N1B—C2B—Ni1B	175.9 (3)
N1A—C3A—C4A	108.1 (3)	N1B—C3B—C5B	109.0 (3)
N1A—C3A—C5A	108.4 (3)	N1B—C3B—C4B	107.0 (3)
C4A—C3A—C5A	110.5 (3)	C5B—C3B—C4B	112.7 (6)
N1A—C3A—C6A	106.7 (3)	N1B—C3B—C6B	109.0 (3)
C4A—C3A—C6A	111.2 (4)	C5B—C3B—C6B	109.3 (4)
C5A—C3A—C6A	111.8 (4)	C4B—C3B—C6B	109.8 (5)
C3A—C4A—H4AA	109.5	C3B—C4B—H4BA	109.5
C3A—C4A—H4AB	109.5	C3B—C4B—H4BB	109.5
H4AA—C4A—H4AB	109.5	H4BA—C4B—H4BB	109.5
C3A—C4A—H4AC	109.5	C3B—C4B—H4BC	109.5
H4AA—C4A—H4AC	109.5	H4BA—C4B—H4BC	109.5
H4AB—C4A—H4AC	109.5	H4BB—C4B—H4BC	109.5
C3A—C5A—H5AA	109.5	C3B—C5B—H5BA	109.5
C3A—C5A—H5AB	109.5	C3B—C5B—H5BB	109.5
H5AA—C5A—H5AB	109.5	H5BA—C5B—H5BB	109.5
C3A—C5A—H5AC	109.5	C3B—C5B—H5BC	109.5
H5AA—C5A—H5AC	109.5	H5BA—C5B—H5BC	109.5
H5AB—C5A—H5AC	109.5	H5BB—C5B—H5BC	109.5
C3A—C6A—H6AA	109.5	C3B—C6B—H6BA	109.5
C3A—C6A—H6AB	109.5	C3B—C6B—H6BB	109.5
H6AA—C6A—H6AB	109.5	H6BA—C6B—H6BB	109.5
C3A—C6A—H6AC	109.5	C3B—C6B—H6BC	109.5
H6AA—C6A—H6AC	109.5	H6BA—C6B—H6BC	109.5
H6AB—C6A—H6AC	109.5	H6BB—C6B—H6BC	109.5
N2A—C7A—Ni1A	176.7 (3)	N2B—C7B—Ni1B	171.8 (3)
N2A—C8A—C9A	107.6 (3)	N2B—C8B—C10B	106.9 (3)
N2A—C8A—C11A	107.8 (3)	N2B—C8B—C11B	109.1 (3)
C9A—C8A—C11A	112.8 (4)	C10B—C8B—C11B	113.3 (5)
N2A—C8A—C10A	107.5 (3)	N2B—C8B—C9B	106.6 (4)
C9A—C8A—C10A	110.6 (4)	C10B—C8B—C9B	111.2 (5)
C11A—C8A—C10A	110.2 (3)	C11B—C8B—C9B	109.5 (4)
C8A—C9A—H9AA	109.5	C8B—C9B—H9BA	109.5
C8A—C9A—H9AB	109.5	C8B—C9B—H9BB	109.5
H9AA—C9A—H9AB	109.5	H9BA—C9B—H9BB	109.5
C8A—C9A—H9AC	109.5	C8B—C9B—H9BC	109.5
H9AA—C9A—H9AC	109.5	H9BA—C9B—H9BC	109.5
H9AB—C9A—H9AC	109.5	H9BB—C9B—H9BC	109.5
C8A—C10A—H10A	109.5	C8B—C10B—H10D	109.5
C8A—C10A—H10B	109.5	C8B—C10B—H10E	109.5
H10A—C10A—H10B	109.5	H10D—C10B—H10E	109.5
C8A—C10A—H10C	109.5	C8B—C10B—H10F	109.5
H10A—C10A—H10C	109.5	H10D—C10B—H10F	109.5
H10B—C10A—H10C	109.5	H10E—C10B—H10F	109.5
C8A—C11A—H11A	109.5	C8B—C11B—H11D	109.5
C8A—C11A—H11B	109.5	C8B—C11B—H11E	109.5
H11A—C11A—H11B	109.5	H11D—C11B—H11E	109.5
C8A—C11A—H11C	109.5	C8B—C11B—H11F	109.5
H11A—C11A—H11C	109.5	H11D—C11B—H11F	109.5
H11B—C11A—H11C	109.5	H11E—C11B—H11F	109.5
N3A—C12A—Ni1A	177.5 (3)	N3B—C12B—Ni1B	175.4 (3)
N3A—C13A—C15A	107.6 (3)	N3B—C13B—C15B	108.6 (3)
N3A—C13A—C16A	107.2 (3)	N3B—C13B—C16B	108.8 (3)
C15A—C13A—C16A	112.0 (3)	C15B—C13B—C16B	110.4 (4)
N3A—C13A—C14A	107.5 (3)	N3B—C13B—C14B	106.8 (3)
C15A—C13A—C14A	111.2 (3)	C15B—C13B—C14B	112.0 (4)
C16A—C13A—C14A	111.1 (3)	C16B—C13B—C14B	110.1 (3)
C13A—C14A—H14A	109.5	C13B—C14B—H14D	109.5
C13A—C14A—H14B	109.5	C13B—C14B—H14E	109.5
H14A—C14A—H14B	109.5	H14D—C14B—H14E	109.5
C13A—C14A—H14C	109.5	C13B—C14B—H14F	109.5
H14A—C14A—H14C	109.5	H14D—C14B—H14F	109.5
H14B—C14A—H14C	109.5	H14E—C14B—H14F	109.5
C13A—C15A—H15A	109.5	C13B—C15B—H15D	109.5
C13A—C15A—H15B	109.5	C13B—C15B—H15E	109.5
H15A—C15A—H15B	109.5	H15D—C15B—H15E	109.5
C13A—C15A—H15C	109.5	C13B—C15B—H15F	109.5
H15A—C15A—H15C	109.5	H15D—C15B—H15F	109.5
H15B—C15A—H15C	109.5	H15E—C15B—H15F	109.5
C13A—C16A—H16A	109.5	C13B—C16B—H16D	109.5
C13A—C16A—H16B	109.5	C13B—C16B—H16E	109.5
H16A—C16A—H16B	109.5	H16D—C16B—H16E	109.5
C13A—C16A—H16C	109.5	C13B—C16B—H16F	109.5
H16A—C16A—H16C	109.5	H16D—C16B—H16F	109.5
H16B—C16A—H16C	109.5	H16E—C16B—H16F	109.5