cis-Bis[N-(2-furoyl)-N',N'-diphenyl-thio-ureato-κO,S]nickel(II).

In the title compound, [Ni(C(18)H(13)N(2)O(2)S)(2)], the Ni(II) atom is coordinated by the S and O atoms of two N-furoyl-N',N'-diphenyl-thio-ureate ligands in a slightly distorted square-planar coordination geometry. The two O and two S atoms are cis to each other.

Related literature

For general background, see: Arslan et al. (2006 ▶). For related structures, see: Jia et al. (2007 ▶); Pérez et al. (2008 ▶). For the synthesis of the ligand, see: Hernández et al. (2003 ▶).

Experimental

Crystal data

[Ni(C18H13N2O2S)2]

M = 701.46

Triclinic,

a = 10.0458 (2) Å

b = 11.0030 (3) Å

c = 15.9718 (3) Å

α = 72.755 (2)°

β = 88.792 (2)°

γ = 74.874 (1)°

V = 1624.61 (7) Å3

Z = 2

Mo Kα radiation

μ = 0.77 mm−1

T = 294 K

0.15 × 0.09 × 0.06 mm

Data collection

Nonius KappaCCD diffractometer

Absorption correction: Gaussian (Coppens et al., 1965 ▶) T min = 0.955, T max = 0.980

12907 measured reflections

7027 independent reflections

5083 reflections with I > 2σ(I)

R int = 0.053

Refinement

R[F 2 > 2σ(F 2)] = 0.064

wR(F 2) = 0.145

S = 1.22

7027 reflections

424 parameters

H-atom parameters constrained

Δρmax = 0.33 e Å−3

Δρmin = −0.46 e Å−3

Data collection: COLLECT (Enraf–Nonius, 2000 ▶); cell refinement: DENZO/SCALEPACK (Otwinowski & Minor, 1997 ▶); data reduction: DENZO/SCALEPACK; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S160053680900302X/gk2187sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053680900302X/gk2187Isup2.hkl

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

[Ni(C18H13N2O2S)2]	Z = 2
Mr = 701.46	F(000) = 724
Triclinic, P1	Dx = 1.434 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.0458 (2) Å	Cell parameters from 83255 reflections
b = 11.0030 (3) Å	θ = 2.9–27.1°
c = 15.9718 (3) Å	µ = 0.77 mm−1
α = 72.755 (2)°	T = 294 K
β = 88.792 (2)°	Prism, red
γ = 74.874 (1)°	0.14 × 0.09 × 0.06 mm
V = 1624.61 (7) Å3

Nonius KappaCCD diffractometer	5083 reflections with I > 2σ(I)
φ and ω scans	Rint = 0.053
Absorption correction: gaussian (Coppens et al., 1965)	θmax = 27.1°, θmin = 3.1°
Tmin = 0.955, Tmax = 0.980	h = −12→12
12907 measured reflections	k = −13→14
7027 independent reflections	l = −17→20

Refinement on F2	0 restraints
Least-squares matrix: full	H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.064	w = 1/[σ2(Fo2) + (0.0511P)2 + 0.2693P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.145	(Δ/σ)max < 0.001
S = 1.22	Δρmax = 0.33 e Å−3
7027 reflections	Δρmin = −0.45 e Å−3
424 parameters

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.

	x	y	z	Uiso*/Ueq
Ni1	0.10992 (4)	0.16148 (4)	0.22008 (2)	0.04396 (16)
S2	0.17245 (9)	0.12133 (9)	0.09958 (6)	0.0542 (3)
S1	0.27714 (9)	−0.00834 (9)	0.27898 (6)	0.0562 (3)
C25	0.1818 (3)	0.1120 (3)	−0.0847 (2)	0.0468 (8)
C3	0.0498 (3)	0.2104 (3)	0.4681 (2)	0.0461 (8)
O2	−0.0374 (2)	0.3346 (2)	0.43990 (16)	0.0594 (6)
C5	−0.0320 (4)	0.2626 (5)	0.5856 (3)	0.0802 (13)
H5	−0.0504	0.2582	0.6436	0.096*
O1	0.0615 (2)	0.2029 (2)	0.32411 (14)	0.0539 (6)
C16	0.4337 (4)	−0.2623 (4)	0.7121 (2)	0.0608 (10)
H16	0.4447	−0.2931	0.7731	0.073*
C9	0.5753 (5)	−0.4263 (4)	0.3721 (3)	0.0758 (12)
H9	0.568	−0.5109	0.3778	0.091*
O3	−0.0437 (2)	0.3025 (2)	0.16983 (14)	0.0551 (6)
N4	0.0672 (3)	0.2042 (3)	−0.06320 (16)	0.0485 (7)
O4	−0.2840 (2)	0.4849 (2)	0.14960 (16)	0.0649 (7)
C15	0.5424 (4)	−0.2347 (4)	0.6641 (2)	0.0592 (9)
H15	0.6265	−0.2459	0.6926	0.071*
N2	0.3911 (3)	−0.1353 (3)	0.43740 (16)	0.0433 (6)
N1	0.2152 (3)	0.0424 (3)	0.43601 (16)	0.0427 (6)
C31	−0.0362 (3)	0.2842 (3)	−0.1339 (2)	0.0459 (8)
C17	0.3089 (4)	−0.2447 (4)	0.6709 (2)	0.0593 (10)
H17	0.2351	−0.2628	0.7039	0.071*
C22	−0.3081 (4)	0.5271 (4)	0.0059 (3)	0.0696 (11)
H22	−0.2911	0.5258	−0.0513	0.084*
C21	−0.2258 (3)	0.4548 (3)	0.0779 (2)	0.0467 (8)
C13	0.4024 (3)	−0.1739 (3)	0.5320 (2)	0.0420 (7)
C7	0.4894 (3)	−0.2189 (3)	0.3976 (2)	0.0456 (8)
C12	0.5971 (4)	−0.1767 (4)	0.3554 (2)	0.0641 (10)
H12	0.6045	−0.0921	0.3495	0.077*
C18	0.2929 (3)	−0.2002 (3)	0.5805 (2)	0.0491 (8)
H18	0.2082	−0.188	0.5524	0.059*
N3	−0.0573 (3)	0.3195 (3)	0.02013 (16)	0.0476 (7)
C1	0.1123 (3)	0.1489 (3)	0.4017 (2)	0.0424 (7)
C26	0.3131 (4)	0.1250 (4)	−0.0810 (2)	0.0650 (10)
H26	0.3293	0.1915	−0.0611	0.078*
C36	−0.1497 (4)	0.2426 (4)	−0.1455 (2)	0.0574 (9)
H36	−0.1617	0.1644	−0.1075	0.069*
C14	0.5278 (3)	−0.1902 (3)	0.5730 (2)	0.0521 (9)
H14	0.6016	−0.1716	0.5402	0.063*
C20	0.0522 (3)	0.2238 (3)	0.0169 (2)	0.0439 (8)
C4	0.0562 (4)	0.1639 (4)	0.5560 (2)	0.0667 (11)
H4	0.1089	0.082	0.5907	0.08*
C19	−0.0975 (3)	0.3501 (3)	0.0924 (2)	0.0463 (8)
C32	−0.0178 (4)	0.3994 (4)	−0.1894 (2)	0.0598 (10)
H32	0.0595	0.4273	−0.1816	0.072*
C27	0.4219 (4)	0.0402 (5)	−0.1067 (3)	0.0723 (12)
H27	0.5106	0.0504	−0.1044	0.087*
C35	−0.2467 (4)	0.3177 (4)	−0.2142 (3)	0.0692 (11)
H35	−0.3235	0.2895	−0.2229	0.083*
C23	−0.4244 (4)	0.6049 (4)	0.0329 (3)	0.0777 (13)
H23	−0.4994	0.6652	−0.0028	0.093*
C8	0.4766 (4)	−0.3430 (4)	0.4059 (2)	0.0582 (9)
H8	0.4028	−0.3707	0.4338	0.07*
C11	0.6944 (4)	−0.2612 (5)	0.3217 (3)	0.0796 (13)
H11	0.7676	−0.2335	0.2929	0.095*
C30	0.1591 (4)	0.0128 (4)	−0.1135 (3)	0.0716 (12)
H30	0.0705	0.0024	−0.116	0.086*
C10	0.6831 (5)	−0.3862 (5)	0.3306 (3)	0.0824 (15)
H10	0.749	−0.4433	0.3083	0.099*
C2	0.2900 (3)	−0.0298 (3)	0.3898 (2)	0.0406 (7)
C33	−0.1163 (5)	0.4739 (4)	−0.2575 (2)	0.0729 (12)
H33	−0.1051	0.5524	−0.2957	0.087*
C6	−0.0839 (4)	0.3632 (4)	0.5149 (3)	0.0714 (12)
H6	−0.1441	0.4428	0.516	0.086*
C28	0.4000 (5)	−0.0574 (4)	−0.1351 (3)	0.0759 (12)
H28	0.4735	−0.1146	−0.152	0.091*
C24	−0.4066 (4)	0.5758 (4)	0.1190 (3)	0.0731 (12)
H24	−0.4696	0.6127	0.1541	0.088*
C34	−0.2292 (5)	0.4322 (4)	−0.2686 (3)	0.0727 (12)
H34	−0.2951	0.4831	−0.3141	0.087*
C29	0.2695 (5)	−0.0716 (4)	−0.1389 (3)	0.0892 (15)
H29	0.2545	−0.1387	−0.1587	0.107*

	U11	U22	U33	U12	U13	U23
Ni1	0.0427 (3)	0.0473 (3)	0.0365 (3)	−0.00044 (19)	0.00223 (18)	−0.01466 (19)
S2	0.0514 (5)	0.0615 (6)	0.0397 (5)	0.0050 (4)	0.0030 (4)	−0.0179 (4)
S1	0.0577 (6)	0.0587 (6)	0.0390 (5)	0.0128 (4)	−0.0016 (4)	−0.0198 (4)
C25	0.0448 (19)	0.054 (2)	0.0376 (17)	−0.0041 (16)	0.0069 (14)	−0.0156 (15)
C3	0.0386 (18)	0.050 (2)	0.050 (2)	0.0001 (16)	0.0030 (15)	−0.0261 (16)
O2	0.0571 (15)	0.0555 (15)	0.0630 (16)	0.0006 (12)	0.0088 (12)	−0.0282 (12)
C5	0.074 (3)	0.107 (4)	0.062 (3)	0.003 (3)	0.009 (2)	−0.053 (3)
O1	0.0560 (14)	0.0540 (14)	0.0398 (13)	0.0092 (11)	−0.0010 (11)	−0.0170 (11)
C16	0.085 (3)	0.051 (2)	0.0396 (19)	−0.005 (2)	−0.001 (2)	−0.0148 (16)
C9	0.092 (3)	0.055 (3)	0.072 (3)	0.012 (2)	−0.007 (2)	−0.033 (2)
O3	0.0536 (14)	0.0612 (15)	0.0385 (13)	0.0073 (12)	−0.0005 (11)	−0.0164 (11)
N4	0.0485 (16)	0.0541 (17)	0.0400 (15)	−0.0026 (14)	0.0014 (12)	−0.0197 (13)
O4	0.0590 (16)	0.0630 (17)	0.0567 (15)	0.0087 (13)	0.0086 (12)	−0.0164 (13)
C15	0.063 (2)	0.059 (2)	0.054 (2)	−0.0102 (19)	−0.0128 (19)	−0.0181 (18)
N2	0.0391 (14)	0.0483 (16)	0.0365 (14)	0.0020 (12)	0.0014 (11)	−0.0161 (12)
N1	0.0402 (15)	0.0449 (16)	0.0402 (15)	−0.0032 (13)	0.0032 (12)	−0.0157 (12)
C31	0.0480 (19)	0.048 (2)	0.0372 (17)	−0.0029 (16)	0.0041 (15)	−0.0148 (15)
C17	0.063 (2)	0.058 (2)	0.048 (2)	−0.0072 (19)	0.0146 (18)	−0.0113 (17)
C22	0.068 (3)	0.064 (3)	0.065 (3)	0.009 (2)	−0.016 (2)	−0.025 (2)
C21	0.0481 (19)	0.0432 (19)	0.0446 (19)	−0.0021 (16)	0.0011 (15)	−0.0156 (15)
C13	0.0431 (18)	0.0412 (18)	0.0402 (17)	−0.0040 (15)	0.0019 (14)	−0.0164 (14)
C7	0.0408 (18)	0.050 (2)	0.0373 (17)	0.0059 (15)	0.0032 (14)	−0.0159 (15)
C12	0.052 (2)	0.076 (3)	0.060 (2)	−0.005 (2)	0.0154 (18)	−0.026 (2)
C18	0.0429 (19)	0.056 (2)	0.0444 (19)	−0.0071 (16)	0.0036 (15)	−0.0140 (16)
N3	0.0529 (17)	0.0500 (17)	0.0378 (15)	−0.0060 (14)	0.0036 (13)	−0.0170 (13)
C1	0.0399 (18)	0.0474 (19)	0.0410 (18)	−0.0105 (16)	0.0067 (14)	−0.0161 (15)
C26	0.059 (2)	0.086 (3)	0.060 (2)	−0.020 (2)	0.0100 (19)	−0.036 (2)
C36	0.057 (2)	0.056 (2)	0.056 (2)	−0.0100 (19)	−0.0011 (18)	−0.0170 (18)
C14	0.049 (2)	0.056 (2)	0.050 (2)	−0.0113 (17)	−0.0010 (16)	−0.0159 (17)
C20	0.0463 (19)	0.048 (2)	0.0381 (17)	−0.0114 (16)	0.0077 (14)	−0.0151 (15)
C4	0.062 (2)	0.085 (3)	0.046 (2)	0.007 (2)	−0.0003 (18)	−0.030 (2)
C19	0.0476 (19)	0.0430 (19)	0.0439 (19)	−0.0068 (16)	0.0017 (15)	−0.0110 (15)
C32	0.066 (2)	0.056 (2)	0.057 (2)	−0.015 (2)	0.0057 (19)	−0.0177 (19)
C27	0.049 (2)	0.104 (4)	0.067 (3)	−0.013 (2)	0.0125 (19)	−0.037 (3)
C35	0.055 (2)	0.075 (3)	0.078 (3)	−0.003 (2)	−0.010 (2)	−0.034 (2)
C23	0.061 (3)	0.059 (3)	0.097 (4)	0.016 (2)	−0.026 (2)	−0.025 (2)
C8	0.065 (2)	0.054 (2)	0.053 (2)	−0.0037 (19)	0.0029 (18)	−0.0217 (18)
C11	0.054 (2)	0.107 (4)	0.068 (3)	0.000 (3)	0.017 (2)	−0.031 (3)
C30	0.063 (3)	0.069 (3)	0.100 (3)	−0.022 (2)	0.023 (2)	−0.047 (2)
C10	0.064 (3)	0.108 (4)	0.054 (3)	0.024 (3)	0.004 (2)	−0.035 (3)
C2	0.0364 (17)	0.0440 (19)	0.0410 (17)	−0.0074 (15)	0.0015 (14)	−0.0149 (15)
C33	0.095 (3)	0.053 (2)	0.052 (2)	−0.003 (2)	0.004 (2)	−0.0043 (19)
C6	0.061 (2)	0.077 (3)	0.083 (3)	0.000 (2)	0.012 (2)	−0.052 (3)
C28	0.070 (3)	0.073 (3)	0.076 (3)	0.000 (2)	0.022 (2)	−0.027 (2)
C24	0.057 (3)	0.059 (3)	0.090 (3)	0.010 (2)	0.007 (2)	−0.025 (2)
C34	0.074 (3)	0.070 (3)	0.060 (3)	0.012 (2)	−0.016 (2)	−0.026 (2)
C29	0.084 (3)	0.068 (3)	0.135 (4)	−0.021 (3)	0.037 (3)	−0.061 (3)

Ni1—O3	1.870 (2)	C22—C23	1.400 (5)
Ni1—O1	1.872 (2)	C22—H22	0.93
Ni1—S1	2.1412 (9)	C21—C19	1.456 (4)
Ni1—S2	2.1452 (9)	C13—C18	1.376 (4)
S2—C20	1.717 (3)	C13—C14	1.376 (4)
S1—C2	1.718 (3)	C7—C8	1.372 (5)
C25—C26	1.368 (5)	C7—C12	1.374 (5)
C25—C30	1.373 (5)	C12—C11	1.383 (5)
C25—N4	1.433 (4)	C12—H12	0.93
C3—C4	1.341 (5)	C18—H18	0.93
C3—O2	1.366 (4)	N3—C20	1.322 (4)
C3—C1	1.468 (4)	N3—C19	1.323 (4)
O2—C6	1.370 (4)	C26—C27	1.381 (5)
C5—C6	1.325 (6)	C26—H26	0.93
C5—C4	1.405 (5)	C36—C35	1.388 (5)
C5—H5	0.93	C36—H36	0.93
O1—C1	1.257 (4)	C14—H14	0.93
C16—C15	1.368 (5)	C4—H4	0.93
C16—C17	1.369 (5)	C32—C33	1.388 (5)
C16—H16	0.93	C32—H32	0.93
C9—C10	1.361 (6)	C27—C28	1.350 (6)
C9—C8	1.381 (5)	C27—H27	0.93
C9—H9	0.93	C35—C34	1.354 (6)
O3—C19	1.261 (4)	C35—H35	0.93
N4—C20	1.357 (4)	C23—C24	1.321 (6)
N4—C31	1.452 (4)	C23—H23	0.93
O4—C24	1.360 (4)	C8—H8	0.93
O4—C21	1.364 (4)	C11—C10	1.374 (6)
C15—C14	1.387 (5)	C11—H11	0.93
C15—H15	0.93	C30—C29	1.387 (5)
N2—C2	1.360 (4)	C30—H30	0.93
N2—C7	1.440 (4)	C10—H10	0.93
N2—C13	1.441 (4)	C33—C34	1.363 (6)
N1—C2	1.323 (4)	C33—H33	0.93
N1—C1	1.324 (4)	C6—H6	0.93
C31—C36	1.369 (5)	C28—C29	1.365 (6)
C31—C32	1.370 (5)	C28—H28	0.93
C17—C18	1.379 (4)	C24—H24	0.93
C17—H17	0.93	C34—H34	0.93
C22—C21	1.339 (5)	C29—H29	0.93
O3—Ni1—O1	84.21 (9)	N1—C1—C3	112.0 (3)
O3—Ni1—S1	176.26 (8)	C25—C26—C27	120.5 (4)
O1—Ni1—S1	95.90 (7)	C25—C26—H26	119.7
O3—Ni1—S2	95.82 (7)	C27—C26—H26	119.7
O1—Ni1—S2	176.87 (8)	C31—C36—C35	119.7 (4)
S1—Ni1—S2	84.28 (3)	C31—C36—H36	120.2
C20—S2—Ni1	108.55 (11)	C35—C36—H36	120.2
C2—S1—Ni1	108.64 (11)	C13—C14—C15	119.0 (3)
C26—C25—C30	119.3 (3)	C13—C14—H14	120.5
C26—C25—N4	120.9 (3)	C15—C14—H14	120.5
C30—C25—N4	119.7 (3)	N3—C20—N4	114.0 (3)
C4—C3—O2	110.4 (3)	N3—C20—S2	128.9 (2)
C4—C3—C1	131.4 (3)	N4—C20—S2	117.1 (2)
O2—C3—C1	118.1 (3)	C3—C4—C5	106.7 (4)
C3—O2—C6	105.1 (3)	C3—C4—H4	126.6
C6—C5—C4	106.7 (4)	C5—C4—H4	126.6
C6—C5—H5	126.7	O3—C19—N3	130.4 (3)
C4—C5—H5	126.7	O3—C19—C21	116.7 (3)
C1—O1—Ni1	131.4 (2)	N3—C19—C21	112.8 (3)
C15—C16—C17	120.4 (3)	C31—C32—C33	119.1 (4)
C15—C16—H16	119.8	C31—C32—H32	120.4
C17—C16—H16	119.8	C33—C32—H32	120.4
C10—C9—C8	120.9 (4)	C28—C27—C26	120.3 (4)
C10—C9—H9	119.6	C28—C27—H27	119.8
C8—C9—H9	119.6	C26—C27—H27	119.8
C19—O3—Ni1	131.6 (2)	C34—C35—C36	119.7 (4)
C20—N4—C25	124.4 (3)	C34—C35—H35	120.1
C20—N4—C31	118.9 (3)	C36—C35—H35	120.1
C25—N4—C31	116.6 (2)	C24—C23—C22	106.4 (4)
C24—O4—C21	105.7 (3)	C24—C23—H23	126.8
C16—C15—C14	120.3 (3)	C22—C23—H23	126.8
C16—C15—H15	119.8	C7—C8—C9	118.9 (4)
C14—C15—H15	119.8	C7—C8—H8	120.5
C2—N2—C7	122.7 (2)	C9—C8—H8	120.5
C2—N2—C13	121.6 (2)	C10—C11—C12	120.1 (4)
C7—N2—C13	115.6 (2)	C10—C11—H11	120
C2—N1—C1	123.9 (3)	C12—C11—H11	120
C36—C31—C32	120.5 (3)	C25—C30—C29	119.4 (4)
C36—C31—N4	119.8 (3)	C25—C30—H30	120.3
C32—C31—N4	119.7 (3)	C29—C30—H30	120.3
C16—C17—C18	119.9 (3)	C9—C10—C11	119.9 (4)
C16—C17—H17	120.1	C9—C10—H10	120
C18—C17—H17	120.1	C11—C10—H10	120
C21—C22—C23	107.3 (4)	N1—C2—N2	114.9 (3)
C21—C22—H22	126.4	N1—C2—S1	129.1 (2)
C23—C22—H22	126.4	N2—C2—S1	116.0 (2)
C22—C21—O4	109.6 (3)	C34—C33—C32	120.1 (4)
C22—C21—C19	132.7 (3)	C34—C33—H33	120
O4—C21—C19	117.7 (3)	C32—C33—H33	120
C18—C13—C14	120.5 (3)	C5—C6—O2	111.1 (3)
C18—C13—N2	121.0 (3)	C5—C6—H6	124.5
C14—C13—N2	118.4 (3)	O2—C6—H6	124.5
C8—C7—C12	120.9 (3)	C27—C28—C29	119.7 (4)
C8—C7—N2	118.7 (3)	C27—C28—H28	120.1
C12—C7—N2	120.3 (3)	C29—C28—H28	120.1
C7—C12—C11	119.3 (4)	C23—C24—O4	111.1 (4)
C7—C12—H12	120.3	C23—C24—H24	124.5
C11—C12—H12	120.3	O4—C24—H24	124.5
C13—C18—C17	119.9 (3)	C35—C34—C33	120.9 (4)
C13—C18—H18	120.1	C35—C34—H34	119.6
C17—C18—H18	120.1	C33—C34—H34	119.6
C20—N3—C19	124.5 (3)	C28—C29—C30	120.7 (4)
O1—C1—N1	131.0 (3)	C28—C29—H29	119.7
O1—C1—C3	117.0 (3)	C30—C29—H29	119.7
C4—C3—O2—C6	0.5 (4)	C25—N4—C20—S2	−5.4 (4)
C1—C3—O2—C6	177.2 (3)	C31—N4—C20—S2	176.9 (2)
C26—C25—N4—C20	−62.4 (5)	Ni1—S2—C20—N3	4.5 (3)
C30—C25—N4—C20	120.9 (4)	Ni1—S2—C20—N4	−173.9 (2)
C26—C25—N4—C31	115.4 (4)	O2—C3—C4—C5	0.4 (5)
C30—C25—N4—C31	−61.4 (4)	C1—C3—C4—C5	−175.7 (3)
C17—C16—C15—C14	−0.8 (6)	C6—C5—C4—C3	−1.3 (5)
C20—N4—C31—C36	−89.2 (4)	Ni1—O3—C19—N3	−4.2 (6)
C25—N4—C31—C36	93.0 (4)	Ni1—O3—C19—C21	174.8 (2)
C20—N4—C31—C32	92.1 (4)	C20—N3—C19—O3	2.3 (6)
C25—N4—C31—C32	−85.8 (4)	C20—N3—C19—C21	−176.7 (3)
C15—C16—C17—C18	0.6 (6)	C22—C21—C19—O3	179.0 (4)
C23—C22—C21—O4	−0.9 (5)	O4—C21—C19—O3	−5.6 (5)
C23—C22—C21—C19	174.7 (4)	C22—C21—C19—N3	−1.8 (6)
C24—O4—C21—C22	1.5 (4)	O4—C21—C19—N3	173.5 (3)
C24—O4—C21—C19	−174.8 (3)	C36—C31—C32—C33	0.3 (5)
C2—N2—C13—C18	55.4 (4)	N4—C31—C32—C33	179.0 (3)
C7—N2—C13—C18	−122.0 (3)	C25—C26—C27—C28	−0.5 (6)
C2—N2—C13—C14	−127.7 (3)	C31—C36—C35—C34	−0.8 (6)
C7—N2—C13—C14	55.0 (4)	C21—C22—C23—C24	0.0 (5)
C2—N2—C7—C8	−106.7 (4)	C12—C7—C8—C9	0.9 (5)
C13—N2—C7—C8	70.7 (4)	N2—C7—C8—C9	−176.3 (3)
C2—N2—C7—C12	76.1 (4)	C10—C9—C8—C7	−0.5 (6)
C13—N2—C7—C12	−106.6 (4)	C7—C12—C11—C10	−0.1 (6)
C8—C7—C12—C11	−0.6 (5)	C26—C25—C30—C29	−0.4 (6)
N2—C7—C12—C11	176.6 (3)	N4—C25—C30—C29	176.4 (4)
C14—C13—C18—C17	−0.8 (5)	C8—C9—C10—C11	−0.2 (6)
N2—C13—C18—C17	176.1 (3)	C12—C11—C10—C9	0.5 (7)
C16—C17—C18—C13	0.2 (5)	C1—N1—C2—N2	180.0 (3)
C2—N1—C1—O1	1.4 (6)	C1—N1—C2—S1	0.3 (5)
C2—N1—C1—C3	−178.9 (3)	C7—N2—C2—N1	−175.0 (3)
C4—C3—C1—O1	162.4 (4)	C13—N2—C2—N1	7.8 (4)
O2—C3—C1—O1	−13.5 (4)	C7—N2—C2—S1	4.8 (4)
C4—C3—C1—N1	−17.3 (5)	C13—N2—C2—S1	−172.4 (2)
O2—C3—C1—N1	166.8 (3)	Ni1—S1—C2—N1	−1.0 (3)
C30—C25—C26—C27	0.5 (6)	Ni1—S1—C2—N2	179.3 (2)
N4—C25—C26—C27	−176.3 (3)	C31—C32—C33—C34	−0.1 (6)
C32—C31—C36—C35	0.2 (5)	C4—C5—C6—O2	1.6 (5)
N4—C31—C36—C35	−178.6 (3)	C3—O2—C6—C5	−1.4 (4)
C18—C13—C14—C15	0.6 (5)	C26—C27—C28—C29	0.4 (7)
N2—C13—C14—C15	−176.3 (3)	C22—C23—C24—O4	1.0 (5)
C16—C15—C14—C13	0.2 (5)	C21—O4—C24—C23	−1.6 (5)
C19—N3—C20—N4	175.3 (3)	C36—C35—C34—C33	1.0 (6)
C19—N3—C20—S2	−3.1 (5)	C32—C33—C34—C35	−0.6 (6)
C25—N4—C20—N3	176.0 (3)	C27—C28—C29—C30	−0.2 (7)
C31—N4—C20—N3	−1.7 (4)	C25—C30—C29—C28	0.3 (7)

Ni1—O3	1.870 (2)
Ni1—O1	1.872 (2)
Ni1—S1	2.1412 (9)
Ni1—S2	2.1452 (9)

O3—Ni1—O1	84.21 (9)
O3—Ni1—S1	176.26 (8)
O1—Ni1—S1	95.90 (7)
O3—Ni1—S2	95.82 (7)
O1—Ni1—S2	176.87 (8)
S1—Ni1—S2	84.28 (3)