catena-Poly[[(2,2':6',2''-terpyridine-κN,N',N'')(tricyano-methanido-κN)nickel(II)]-μ-tricyano-methanido].

In the title complex, [Ni(C(4)N(3))(2)(C(15)H(11)N(3))](n), each of the two different Ni(II) atoms is coordinated by one 2,2':6'2''-terpyridine (terpy) and three tricyano-methanide ligands in a distorted octa-hedral geometry. The Ni(II) atoms are linked to each other, forming an infinite chain parallel to (10). π-π Stacking inter-actions of terpy mol-ecules between adjacent chains (centroid-centroid distance = 3.785 Å), along with weak inter-molecular C-H⋯N hydrogen bonds involving the uncoordinated terminal N atoms of the tricyanomethanide ions and the terpyridine H atoms, result in the formation of a three-dimensional network structure.

Related literature

For general background, see: Abrahams et al. (2003 ▶); Batten & Murray (2003 ▶); Batten et al. (1998 ▶, 2000 ▶); Feyerherm et al. (2003 ▶, 2004 ▶); Manson & Schlueter (2004 ▶); Manson et al. (1998 ▶, 2000 ▶); Miller & Manson (2001 ▶); Yuste et al. (2008 ▶). For related structures, see: Baker et al. (1995 ▶); Batten et al. (1999 ▶); Hoshino et al. (1999 ▶); Indumathy et al. (2007 ▶); Luo et al. (2005 ▶); Potočňák et al. (2007 ▶).

Experimental

Crystal data

[Ni(C4n class="Chemical">N3)2(C15H11N3)]

M = 944.24

Triclinic,

a = 8.410 (3) Å

b = 15.581 (5) Å

c = 16.816 (5) Å

α = 93.762 (4)°

β = 90.110 (4)°

γ = 97.572 (5)°

V = 2179.4 (11) Å3

Z = 2

Mo Kα radiation

μ = 0.92 mm−1

T = 293 (2) K

0.20 × 0.15 × 0.15 mm

Data collection

Bruker SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.837, T max = 0.874

10952 measured reflections

9204 independent reflections

6799 reflections with I > 2σ(I)

R int = 0.031

Refinement

R[F 2 > 2σ(F 2)] = 0.053

wR(F 2) = 0.136

S = 1.03

9204 reflections

595 parameters

H-atom parameters constrained

Δρmax = 0.51 e Å−3

Δρmin = −0.32 e Å−3

Data collection: SMART (Bruker, 2000 ▶); cell refinement: SAINT (Bruker, 2000 ▶); data reduction: SAINT (Bruker, 2000 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL (Sheldrick, 2008 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808030377/dn2372sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808030377/dn2372Isup2.hkl

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

[Ni(C4N3)2(C15H11N3)]	Z = 2
Mr = 944.24	F(000) = 960
Triclinic, P1	Dx = 1.439 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.410 (3) Å	Cell parameters from 944 reflections
b = 15.581 (5) Å	θ = 2.6–24.5°
c = 16.816 (5) Å	µ = 0.92 mm−1
α = 93.762 (4)°	T = 293 K
β = 90.110 (4)°	Block, pale-purple
γ = 97.572 (5)°	0.20 × 0.15 × 0.15 mm
V = 2179.4 (11) Å3

Bruker SMART CCD area-detector diffractometer	9204 independent reflections
Radiation source: fine-focus sealed tube	6799 reflections with I > 2σ(I)
graphite	Rint = 0.031
φ and ω scans	θmax = 27.0°, θmin = 1.2°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −10→8
Tmin = 0.837, Tmax = 0.874	k = −19→19
10952 measured reflections	l = −21→21

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.053	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.136	H-atom parameters constrained
S = 1.03	w = 1/[σ2(Fo2) + (0.0597P)2 + 0.2733P] where P = (Fo2 + 2Fc2)/3
9204 reflections	(Δ/σ)max = 0.002
595 parameters	Δρmax = 0.51 e Å−3
0 restraints	Δρmin = −0.32 e Å−3

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.

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
Ni1	0.22374 (5)	0.63410 (2)	0.27013 (2)	0.02854 (12)
Ni2	0.70217 (5)	1.13422 (3)	0.23620 (2)	0.03109 (12)
N1	0.4308 (3)	0.58137 (18)	0.23108 (17)	0.0379 (6)
N2	0.2387 (3)	0.66731 (17)	0.15730 (15)	0.0319 (6)
N3	0.0177 (3)	0.69351 (17)	0.25830 (16)	0.0341 (6)
N4	0.0978 (4)	0.51428 (19)	0.22881 (18)	0.0425 (7)
N5	−0.1568 (4)	0.24281 (18)	0.19521 (17)	0.0426 (7)
N6	0.2572 (6)	0.3427 (3)	0.0496 (3)	0.125 (2)
N7	0.2082 (4)	0.59875 (18)	0.38324 (17)	0.0418 (7)
N8	0.3241 (7)	0.4149 (3)	0.5555 (2)	0.0949 (15)
N9	0.0357 (5)	0.6229 (2)	0.6311 (2)	0.0722 (11)
N10	0.3504 (3)	0.75359 (18)	0.31275 (16)	0.0384 (7)
N11	0.6264 (5)	0.9131 (3)	0.5073 (2)	0.0762 (12)
N12	0.5724 (4)	1.02474 (18)	0.28128 (17)	0.0432 (7)
N13	0.9001 (3)	1.06682 (18)	0.22472 (16)	0.0369 (6)
N14	0.7987 (3)	1.15562 (17)	0.34463 (16)	0.0347 (6)
N15	0.5437 (4)	1.21064 (18)	0.29291 (17)	0.0414 (7)
N16	0.5894 (4)	1.11062 (19)	0.12874 (17)	0.0424 (7)
N17	0.1207 (5)	1.1214 (3)	0.0126 (2)	0.0764 (12)
N18	0.5484 (5)	1.1226 (3)	−0.1334 (2)	0.0696 (11)
C1	0.5173 (5)	0.5330 (3)	0.2712 (2)	0.0541 (10)
H1	0.4905	0.5231	0.3238	0.065*
C2	0.6450 (6)	0.4966 (4)	0.2383 (3)	0.0775 (15)
H2	0.7041	0.4636	0.2682	0.093*
C3	0.6826 (6)	0.5102 (4)	0.1607 (3)	0.0785 (15)
H3	0.7675	0.4861	0.1367	0.094*
C4	0.5941 (5)	0.5597 (3)	0.1187 (3)	0.0621 (12)
H4	0.6191	0.5700	0.0660	0.075*
C5	0.4680 (4)	0.5940 (2)	0.1547 (2)	0.0407 (8)
C6	0.3607 (4)	0.6445 (2)	0.11328 (19)	0.0367 (8)
C7	0.3729 (5)	0.6668 (3)	0.0341 (2)	0.0502 (10)
H7	0.4571	0.6521	0.0024	0.060*
C8	0.2584 (5)	0.7108 (3)	0.0042 (2)	0.0543 (10)
H8	0.2651	0.7259	−0.0484	0.065*
C9	0.1326 (4)	0.7333 (2)	0.0506 (2)	0.0459 (9)
H9	0.0552	0.7637	0.0303	0.055*
C10	0.1261 (4)	0.7091 (2)	0.1281 (2)	0.0375 (8)
C11	−0.0013 (4)	0.7247 (2)	0.1860 (2)	0.0351 (7)
C12	−0.1317 (5)	0.7642 (3)	0.1692 (2)	0.0526 (10)
H12	−0.1433	0.7854	0.1194	0.063*
C13	−0.2460 (5)	0.7723 (3)	0.2268 (3)	0.0673 (13)
H13	−0.3348	0.7997	0.2163	0.081*
C14	−0.2284 (5)	0.7398 (3)	0.2996 (3)	0.0619 (12)
H14	−0.3050	0.7441	0.3389	0.074*
C15	−0.0952 (5)	0.7010 (2)	0.3127 (2)	0.0472 (9)
H15	−0.0828	0.6788	0.3620	0.057*
C16	0.0740 (4)	0.4459 (2)	0.1991 (2)	0.0350 (7)
C17	0.0544 (4)	0.3643 (2)	0.1586 (2)	0.0409 (8)
C18	−0.0617 (4)	0.2975 (2)	0.17997 (19)	0.0353 (7)
C19	0.1645 (6)	0.3509 (3)	0.0985 (3)	0.0687 (14)
C20	0.2002 (4)	0.5758 (2)	0.4466 (2)	0.0382 (8)
C21	0.1934 (5)	0.5477 (2)	0.5238 (2)	0.0428 (9)
C22	0.2664 (6)	0.4744 (3)	0.5412 (2)	0.0597 (11)
C23	0.1061 (5)	0.5892 (2)	0.5829 (2)	0.0485 (9)
C24	0.4178 (4)	0.8188 (2)	0.33652 (19)	0.0332 (7)
C25	0.5722 (5)	0.9050 (2)	0.4446 (2)	0.0463 (9)
C26	0.5053 (4)	0.8968 (2)	0.3671 (2)	0.0378 (8)
C27	0.5407 (4)	0.9663 (2)	0.3185 (2)	0.0350 (7)
C28	0.9457 (5)	1.0230 (2)	0.1600 (2)	0.0485 (9)
H28	0.8846	1.0212	0.1136	0.058*
C29	1.0777 (5)	0.9805 (3)	0.1583 (3)	0.0605 (11)
H29	1.1036	0.9491	0.1123	0.073*
C30	1.1719 (5)	0.9848 (3)	0.2259 (3)	0.0731 (14)
H30	1.2636	0.9573	0.2260	0.088*
C31	1.1276 (5)	1.0309 (3)	0.2938 (3)	0.0671 (13)
H31	1.1894	1.0351	0.3401	0.081*
C32	0.9911 (4)	1.0703 (2)	0.2916 (2)	0.0442 (9)
C33	0.9294 (4)	1.1198 (2)	0.3613 (2)	0.0430 (8)
C34	0.9940 (5)	1.1274 (3)	0.4385 (2)	0.0647 (12)
H34	1.0863	1.1035	0.4501	0.078*
C35	0.9155 (6)	1.1716 (3)	0.4966 (2)	0.0680 (13)
H35	0.9547	1.1773	0.5487	0.082*
C36	0.7803 (6)	1.2073 (3)	0.4785 (2)	0.0565 (11)
H36	0.7277	1.2367	0.5182	0.068*
C37	0.7217 (4)	1.1993 (2)	0.4000 (2)	0.0386 (8)
C38	0.5795 (4)	1.2319 (2)	0.3709 (2)	0.0406 (8)
C39	0.4833 (5)	1.2792 (3)	0.4179 (3)	0.0574 (11)
H39	0.5097	1.2950	0.4710	0.069*
C40	0.3456 (6)	1.3029 (3)	0.3838 (3)	0.0734 (14)
H40	0.2778	1.3335	0.4148	0.088*
C41	0.3101 (6)	1.2817 (3)	0.3061 (3)	0.0743 (14)
H41	0.2189	1.2976	0.2828	0.089*
C42	0.4132 (5)	1.2357 (3)	0.2622 (3)	0.0587 (11)
H42	0.3900	1.2216	0.2084	0.070*
C43	0.5134 (4)	1.1105 (2)	0.0723 (2)	0.0392 (8)
C44	0.4195 (5)	1.1110 (2)	0.0033 (2)	0.0454 (9)
C45	0.2561 (5)	1.1160 (3)	0.0093 (2)	0.0504 (10)
C46	0.4922 (5)	1.1164 (2)	−0.0719 (2)	0.0499 (10)

	U11	U22	U33	U12	U13	U23
Ni1	0.0306 (2)	0.0289 (2)	0.0255 (2)	0.00083 (17)	0.00230 (16)	0.00317 (16)
Ni2	0.0340 (2)	0.0308 (2)	0.0267 (2)	−0.00316 (17)	−0.00293 (17)	0.00346 (16)
N1	0.0352 (15)	0.0441 (17)	0.0344 (15)	0.0066 (13)	−0.0017 (12)	0.0014 (13)
N2	0.0316 (14)	0.0360 (15)	0.0277 (14)	0.0014 (12)	−0.0003 (11)	0.0058 (11)
N3	0.0313 (14)	0.0343 (15)	0.0368 (15)	0.0042 (12)	0.0032 (12)	0.0033 (12)
N4	0.0445 (17)	0.0367 (17)	0.0432 (17)	−0.0051 (13)	0.0066 (13)	0.0017 (13)
N5	0.0514 (18)	0.0373 (16)	0.0354 (16)	−0.0084 (14)	0.0021 (14)	0.0037 (13)
N6	0.121 (4)	0.106 (4)	0.132 (5)	−0.025 (3)	0.088 (4)	−0.033 (3)
N7	0.0541 (19)	0.0410 (16)	0.0310 (16)	0.0059 (14)	0.0054 (13)	0.0086 (13)
N8	0.155 (5)	0.093 (3)	0.049 (2)	0.056 (3)	0.000 (3)	0.016 (2)
N9	0.098 (3)	0.065 (2)	0.052 (2)	0.004 (2)	0.029 (2)	0.0060 (18)
N10	0.0433 (17)	0.0352 (16)	0.0343 (15)	−0.0040 (13)	−0.0001 (13)	0.0020 (12)
N11	0.088 (3)	0.073 (3)	0.064 (3)	−0.008 (2)	−0.028 (2)	0.014 (2)
N12	0.0507 (18)	0.0376 (16)	0.0369 (16)	−0.0125 (14)	−0.0061 (14)	0.0060 (13)
N13	0.0350 (15)	0.0400 (16)	0.0345 (15)	0.0005 (12)	−0.0042 (12)	0.0028 (12)
N14	0.0371 (15)	0.0346 (15)	0.0295 (14)	−0.0047 (12)	−0.0033 (12)	−0.0003 (11)
N15	0.0477 (18)	0.0407 (16)	0.0359 (16)	0.0052 (14)	0.0040 (13)	0.0050 (13)
N16	0.0453 (17)	0.0475 (17)	0.0330 (16)	−0.0010 (14)	−0.0077 (13)	0.0064 (13)
N17	0.064 (3)	0.098 (3)	0.070 (3)	0.009 (2)	−0.010 (2)	0.023 (2)
N18	0.087 (3)	0.080 (3)	0.040 (2)	0.010 (2)	0.0002 (19)	−0.0033 (18)
C1	0.054 (2)	0.067 (3)	0.044 (2)	0.020 (2)	−0.0013 (19)	0.0052 (19)
C2	0.069 (3)	0.110 (4)	0.063 (3)	0.051 (3)	−0.004 (2)	0.008 (3)
C3	0.060 (3)	0.116 (4)	0.068 (3)	0.045 (3)	0.012 (2)	−0.003 (3)
C4	0.045 (2)	0.097 (3)	0.047 (2)	0.023 (2)	0.0106 (19)	0.002 (2)
C5	0.0359 (18)	0.049 (2)	0.0357 (19)	0.0016 (16)	0.0041 (15)	−0.0015 (16)
C6	0.0363 (18)	0.0403 (19)	0.0322 (17)	0.0000 (15)	0.0046 (14)	0.0036 (14)
C7	0.050 (2)	0.065 (3)	0.0334 (19)	−0.002 (2)	0.0145 (17)	0.0046 (18)
C8	0.066 (3)	0.065 (3)	0.0304 (19)	−0.004 (2)	0.0008 (18)	0.0132 (18)
C9	0.044 (2)	0.057 (2)	0.039 (2)	0.0057 (18)	−0.0077 (16)	0.0151 (17)
C10	0.0379 (18)	0.0385 (18)	0.0343 (18)	−0.0035 (15)	−0.0001 (15)	0.0057 (14)
C11	0.0352 (18)	0.0332 (17)	0.0367 (18)	0.0029 (14)	−0.0039 (14)	0.0033 (14)
C12	0.049 (2)	0.058 (2)	0.055 (2)	0.0158 (19)	−0.0030 (19)	0.0154 (19)
C13	0.047 (2)	0.089 (3)	0.075 (3)	0.036 (2)	0.002 (2)	0.017 (3)
C14	0.043 (2)	0.087 (3)	0.062 (3)	0.031 (2)	0.014 (2)	0.010 (2)
C15	0.048 (2)	0.054 (2)	0.041 (2)	0.0088 (18)	0.0094 (17)	0.0064 (17)
C16	0.0310 (17)	0.0373 (19)	0.0356 (18)	−0.0018 (14)	0.0028 (14)	0.0081 (15)
C17	0.045 (2)	0.0344 (18)	0.0397 (19)	−0.0055 (15)	0.0071 (16)	−0.0012 (15)
C18	0.0408 (19)	0.0327 (17)	0.0304 (17)	−0.0012 (15)	−0.0020 (14)	−0.0004 (14)
C19	0.073 (3)	0.053 (3)	0.072 (3)	−0.014 (2)	0.031 (3)	−0.012 (2)
C20	0.0369 (18)	0.0367 (18)	0.039 (2)	−0.0009 (15)	−0.0004 (15)	0.0003 (15)
C21	0.055 (2)	0.044 (2)	0.0279 (17)	−0.0007 (17)	0.0034 (16)	0.0066 (15)
C22	0.086 (3)	0.066 (3)	0.028 (2)	0.010 (3)	0.003 (2)	0.0058 (19)
C23	0.058 (2)	0.047 (2)	0.037 (2)	−0.0065 (19)	0.0036 (18)	0.0083 (17)
C24	0.0309 (17)	0.0364 (18)	0.0330 (17)	0.0052 (14)	0.0061 (14)	0.0071 (14)
C25	0.047 (2)	0.040 (2)	0.050 (2)	−0.0037 (17)	−0.0137 (18)	0.0090 (17)
C26	0.0402 (19)	0.0316 (17)	0.0391 (19)	−0.0042 (15)	−0.0014 (15)	0.0028 (14)
C27	0.0303 (17)	0.0349 (18)	0.0369 (18)	−0.0029 (14)	−0.0043 (14)	−0.0050 (15)
C28	0.049 (2)	0.052 (2)	0.043 (2)	0.0051 (18)	−0.0011 (17)	−0.0005 (18)
C29	0.054 (3)	0.059 (3)	0.068 (3)	0.011 (2)	0.005 (2)	−0.009 (2)
C30	0.049 (3)	0.089 (4)	0.084 (4)	0.028 (2)	−0.006 (2)	−0.012 (3)
C31	0.045 (2)	0.085 (3)	0.073 (3)	0.020 (2)	−0.018 (2)	−0.007 (3)
C32	0.0366 (19)	0.049 (2)	0.045 (2)	0.0007 (17)	−0.0050 (16)	0.0018 (17)
C33	0.042 (2)	0.046 (2)	0.039 (2)	0.0000 (17)	−0.0084 (16)	0.0027 (16)
C34	0.063 (3)	0.084 (3)	0.048 (2)	0.013 (2)	−0.026 (2)	0.000 (2)
C35	0.080 (3)	0.083 (3)	0.037 (2)	0.004 (3)	−0.022 (2)	−0.008 (2)
C36	0.078 (3)	0.053 (2)	0.033 (2)	−0.007 (2)	0.003 (2)	−0.0044 (17)
C37	0.046 (2)	0.0333 (18)	0.0327 (18)	−0.0082 (15)	0.0027 (15)	0.0003 (14)
C38	0.047 (2)	0.0339 (18)	0.0391 (19)	−0.0024 (16)	0.0062 (16)	0.0027 (15)
C39	0.066 (3)	0.052 (2)	0.052 (2)	0.007 (2)	0.011 (2)	−0.0078 (19)
C40	0.072 (3)	0.070 (3)	0.082 (4)	0.026 (3)	0.019 (3)	−0.006 (3)
C41	0.071 (3)	0.086 (4)	0.073 (3)	0.037 (3)	−0.006 (3)	−0.003 (3)
C42	0.063 (3)	0.064 (3)	0.053 (2)	0.023 (2)	−0.005 (2)	0.002 (2)
C43	0.049 (2)	0.0325 (18)	0.0352 (19)	0.0032 (16)	−0.0038 (16)	0.0017 (15)
C44	0.055 (2)	0.047 (2)	0.0343 (19)	0.0079 (18)	−0.0129 (17)	0.0031 (16)
C45	0.058 (3)	0.054 (2)	0.039 (2)	0.006 (2)	−0.0147 (19)	0.0098 (17)
C46	0.062 (3)	0.049 (2)	0.039 (2)	0.0087 (19)	−0.0144 (19)	−0.0011 (17)

Ni1—N2	1.999 (3)	C8—H8	0.9300
Ni1—N7	2.014 (3)	C9—C10	1.380 (5)
Ni1—N3	2.085 (3)	C9—H9	0.9300
Ni1—N4	2.097 (3)	C10—C11	1.482 (5)
Ni1—N10	2.101 (3)	C11—C12	1.364 (5)
Ni1—N1	2.110 (3)	C12—C13	1.378 (6)
Ni2—N14	1.984 (3)	C12—H12	0.9300
Ni2—N16	2.028 (3)	C13—C14	1.369 (6)
Ni2—N13	2.085 (3)	C13—H13	0.9300
Ni2—N12	2.088 (3)	C14—C15	1.365 (5)
Ni2—N5i	2.091 (3)	C14—H14	0.9300
Ni2—N15	2.092 (3)	C15—H15	0.9300
N1—C1	1.327 (5)	C16—C17	1.392 (5)
N1—C5	1.344 (4)	C17—C18	1.395 (5)
N2—C10	1.328 (4)	C17—C19	1.397 (5)
N2—C6	1.338 (4)	C20—C21	1.395 (5)
N3—C15	1.331 (4)	C21—C23	1.409 (5)
N3—C11	1.355 (4)	C21—C22	1.413 (6)
N4—C16	1.140 (4)	C24—C26	1.401 (4)
N5—C18	1.132 (4)	C25—C26	1.411 (5)
N5—Ni2ii	2.091 (3)	C26—C27	1.400 (5)
N6—C19	1.146 (5)	C28—C29	1.365 (5)
N7—C20	1.146 (4)	C28—H28	0.9300
N8—C22	1.140 (6)	C29—C30	1.377 (6)
N9—C23	1.145 (5)	C29—H29	0.9300
N10—C24	1.143 (4)	C30—C31	1.387 (6)
N11—C25	1.139 (5)	C30—H30	0.9300
N12—C27	1.141 (4)	C31—C32	1.373 (5)
N13—C28	1.332 (4)	C31—H31	0.9300
N13—C32	1.353 (4)	C32—C33	1.491 (5)
N14—C33	1.335 (5)	C33—C34	1.397 (5)
N14—C37	1.335 (4)	C34—C35	1.378 (6)
N15—C42	1.328 (5)	C34—H34	0.9300
N15—C38	1.355 (4)	C35—C36	1.372 (6)
N16—C43	1.143 (4)	C35—H35	0.9300
N17—C45	1.154 (5)	C36—C37	1.400 (5)
N18—C46	1.142 (5)	C36—H36	0.9300
C1—C2	1.379 (6)	C37—C38	1.456 (5)
C1—H1	0.9300	C38—C39	1.380 (5)
C2—C3	1.368 (6)	C39—C40	1.393 (6)
C2—H2	0.9300	C39—H39	0.9300
C3—C4	1.366 (6)	C40—C41	1.350 (7)
C3—H3	0.9300	C40—H40	0.9300
C4—C5	1.374 (5)	C41—C42	1.381 (6)
C4—H4	0.9300	C41—H41	0.9300
C5—C6	1.474 (5)	C42—H42	0.9300
C6—C7	1.400 (5)	C43—C44	1.403 (5)
C7—C8	1.366 (6)	C44—C45	1.391 (6)
C7—H7	0.9300	C44—C46	1.408 (5)
C8—C9	1.385 (5)
N2—Ni1—N7	179.14 (11)	N3—C11—C12	121.2 (3)
N2—Ni1—N3	78.14 (11)	N3—C11—C10	114.6 (3)
N7—Ni1—N3	102.22 (12)	C12—C11—C10	124.3 (3)
N2—Ni1—N4	88.50 (11)	C11—C12—C13	119.2 (4)
N7—Ni1—N4	90.72 (12)	C11—C12—H12	120.4
N3—Ni1—N4	90.48 (12)	C13—C12—H12	120.4
N2—Ni1—N10	92.11 (11)	C14—C13—C12	119.8 (4)
N7—Ni1—N10	88.67 (11)	C14—C13—H13	120.1
N3—Ni1—N10	89.83 (11)	C12—C13—H13	120.1
N4—Ni1—N10	179.36 (12)	C15—C14—C13	118.1 (4)
N2—Ni1—N1	78.21 (11)	C15—C14—H14	120.9
N7—Ni1—N1	101.39 (12)	C13—C14—H14	120.9
N3—Ni1—N1	156.10 (11)	N3—C15—C14	123.1 (4)
N4—Ni1—N1	85.56 (11)	N3—C15—H15	118.5
N10—Ni1—N1	94.38 (11)	C14—C15—H15	118.5
N14—Ni2—N16	176.27 (12)	N4—C16—C17	175.5 (4)
N14—Ni2—N13	78.68 (11)	C16—C17—C18	122.2 (3)
N16—Ni2—N13	103.93 (12)	C16—C17—C19	116.2 (3)
N14—Ni2—N12	85.18 (11)	C18—C17—C19	121.5 (3)
N16—Ni2—N12	92.16 (11)	N5—C18—C17	178.2 (4)
N13—Ni2—N12	88.96 (12)	N6—C19—C17	177.7 (5)
N14—Ni2—N5i	92.12 (11)	N7—C20—C21	179.0 (4)
N16—Ni2—N5i	90.61 (11)	C20—C21—C23	120.1 (4)
N13—Ni2—N5i	88.68 (12)	C20—C21—C22	119.6 (3)
N12—Ni2—N5i	176.72 (12)	C23—C21—C22	120.2 (3)
N14—Ni2—N15	78.53 (12)	N8—C22—C21	179.4 (6)
N16—Ni2—N15	98.84 (12)	N9—C23—C21	179.7 (5)
N13—Ni2—N15	157.21 (11)	N10—C24—C26	177.6 (4)
N12—Ni2—N15	89.09 (12)	N11—C25—C26	178.8 (4)
N5i—Ni2—N15	92.20 (12)	C27—C26—C24	120.4 (3)
C1—N1—C5	118.4 (3)	C27—C26—C25	118.1 (3)
C1—N1—Ni1	127.3 (3)	C24—C26—C25	121.2 (3)
C5—N1—Ni1	114.1 (2)	N12—C27—C26	177.5 (3)
C10—N2—C6	122.4 (3)	N13—C28—C29	123.2 (4)
C10—N2—Ni1	119.2 (2)	N13—C28—H28	118.4
C6—N2—Ni1	118.3 (2)	C29—C28—H28	118.4
C15—N3—C11	118.6 (3)	C28—C29—C30	119.0 (4)
C15—N3—Ni1	126.8 (3)	C28—C29—H29	120.5
C11—N3—Ni1	114.6 (2)	C30—C29—H29	120.5
C16—N4—Ni1	159.6 (3)	C29—C30—C31	118.8 (4)
C18—N5—Ni2ii	169.1 (3)	C29—C30—H30	120.6
C20—N7—Ni1	177.6 (3)	C31—C30—H30	120.6
C24—N10—Ni1	179.2 (3)	C32—C31—C30	119.0 (4)
C27—N12—Ni2	160.4 (3)	C32—C31—H31	120.5
C28—N13—C32	118.1 (3)	C30—C31—H31	120.5
C28—N13—Ni2	127.5 (2)	N13—C32—C31	121.9 (4)
C32—N13—Ni2	114.5 (2)	N13—C32—C33	114.2 (3)
C33—N14—C37	122.5 (3)	C31—C32—C33	123.9 (4)
C33—N14—Ni2	119.0 (2)	N14—C33—C34	121.0 (4)
C37—N14—Ni2	118.3 (2)	N14—C33—C32	113.6 (3)
C42—N15—C38	118.8 (3)	C34—C33—C32	125.4 (4)
C42—N15—Ni2	127.5 (3)	C35—C34—C33	117.4 (4)
C38—N15—Ni2	113.6 (2)	C35—C34—H34	121.3
C43—N16—Ni2	167.5 (3)	C33—C34—H34	121.3
N1—C1—C2	122.9 (4)	C36—C35—C34	120.8 (4)
N1—C1—H1	118.6	C36—C35—H35	119.6
C2—C1—H1	118.6	C34—C35—H35	119.6
C3—C2—C1	118.4 (4)	C35—C36—C37	119.7 (4)
C3—C2—H2	120.8	C35—C36—H36	120.2
C1—C2—H2	120.8	C37—C36—H36	120.2
C4—C3—C2	119.2 (4)	N14—C37—C36	118.7 (4)
C4—C3—H3	120.4	N14—C37—C38	114.5 (3)
C2—C3—H3	120.4	C36—C37—C38	126.8 (3)
C3—C4—C5	119.6 (4)	N15—C38—C39	121.0 (4)
C3—C4—H4	120.2	N15—C38—C37	114.9 (3)
C5—C4—H4	120.2	C39—C38—C37	124.1 (4)
N1—C5—C4	121.5 (4)	C38—C39—C40	118.5 (4)
N1—C5—C6	114.9 (3)	C38—C39—H39	120.7
C4—C5—C6	123.6 (3)	C40—C39—H39	120.7
N2—C6—C7	119.2 (3)	C41—C40—C39	120.4 (4)
N2—C6—C5	114.4 (3)	C41—C40—H40	119.8
C7—C6—C5	126.3 (3)	C39—C40—H40	119.8
C8—C7—C6	118.5 (4)	C40—C41—C42	118.1 (5)
C8—C7—H7	120.7	C40—C41—H41	121.0
C6—C7—H7	120.7	C42—C41—H41	121.0
C7—C8—C9	121.3 (3)	N15—C42—C41	123.2 (4)
C7—C8—H8	119.3	N15—C42—H42	118.4
C9—C8—H8	119.3	C41—C42—H42	118.4
C10—C9—C8	117.6 (4)	N16—C43—C44	179.5 (4)
C10—C9—H9	121.2	C45—C44—C43	120.2 (3)
C8—C9—H9	121.2	C45—C44—C46	119.0 (3)
N2—C10—C9	120.9 (3)	C43—C44—C46	120.4 (4)
N2—C10—C11	113.5 (3)	N17—C45—C44	178.3 (5)
C9—C10—C11	125.6 (3)	N18—C46—C44	178.0 (5)

D—H···A	D—H	H···A	D···A	D—H···A
C1—H1···N8iii	0.93	2.61	3.213 (6)	123.
C4—H4···N6iv	0.93	2.59	3.459 (7)	156.
C7—H7···N6iv	0.93	2.55	3.434 (6)	158.
C9—H9···N17v	0.93	2.60	3.517 (6)	167.
C30—H30···N18vi	0.93	2.60	3.386 (6)	143.
C34—H34···N11vii	0.93	2.57	3.467 (6)	162.
C40—H40···N8viii	0.93	2.61	3.292 (7)	130.

Ring 1	Ring 2i	Cg1 to Cg2 (Å)	Plane to plane (Å)	Offset (°)
N1 C1···C5	N3 C11···C15	3.785	3.67	13.9

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C1—H1⋯N8i	0.93	2.61	3.213 (6)	123
C4—H4⋯N6ii	0.93	2.59	3.459 (7)	156
C7—H7⋯N6ii	0.93	2.55	3.434 (6)	158
C9—H9⋯N17iii	0.93	2.60	3.517 (6)	167
C30—H30⋯N18iv	0.93	2.60	3.386 (6)	143
C34—H34⋯N11v	0.93	2.57	3.467 (6)	162
C40—H40⋯N8vi	0.93	2.61	3.292 (7)	130

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) .