Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806031801/hg2085sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806031801/hg2085Isup2.hkl |
CCDC reference: 624716
Data collection: CAD-4 Software (Enraf–Nonius, 1989); cell refinement: CAD-4 Software; data reduction: NRCVAX (Gabe et al., 1989); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL/PC (Sheldrick, 1990); software used to prepare material for publication: WinGX (Farrugia, 1999).
[Ni(NCS)2(C5H8N2)4] | Z = 2 |
Mr = 559.41 | F(000) = 588 |
Triclinic, P1 | Dx = 1.326 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 8.936 (2) Å | Cell parameters from 25 reflections |
b = 13.186 (3) Å | θ = 4–14° |
c = 13.261 (3) Å | µ = 0.87 mm−1 |
α = 72.16 (3)° | T = 293 K |
β = 89.20 (3)° | Block, blue |
γ = 71.12 (3)° | 0.35 × 0.25 × 0.25 mm |
V = 1401.1 (7) Å3 |
Enraf–Nonius CAD-4 diffractometer | Rint = 0.060 |
Radiation source: fine-focus sealed tube | θmax = 26.0°, θmin = 1.6° |
Graphite monochromator | h = 0→11 |
ω scans | k = −15→15 |
5517 measured reflections | l = −16→2 |
5495 independent reflections | 3 standard reflections every 100 reflections |
3462 reflections with I > 2σ(I) | intensity decay: none |
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)] = 0.073 | H-atom parameters constrained |
wR(F2) = 0.198 | w = 1/[σ2(Fo2) + (0.1373P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.06 | (Δ/σ)max < 0.001 |
5495 reflections | Δρmax = 0.74 e Å−3 |
321 parameters | Δρmin = −0.73 e Å−3 |
0 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.044 (5) |
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 | ||
Ni1 | 0.70006 (7) | 0.24601 (4) | 0.74495 (5) | 0.0428 (3) | |
S1 | 0.5145 (2) | 0.13516 (15) | 1.09279 (14) | 0.0797 (7) | |
S2 | 0.8799 (2) | 0.34595 (13) | 0.39483 (13) | 0.0732 (7) | |
N1 | 0.6483 (6) | 0.1692 (3) | 0.8996 (4) | 0.0511 (18) | |
N2 | 0.7527 (6) | 0.3227 (3) | 0.5900 (4) | 0.0518 (19) | |
N3 | 0.4827 (5) | 0.2538 (3) | 0.6790 (4) | 0.0476 (15) | |
N4 | 0.2946 (6) | 0.1946 (4) | 0.6401 (5) | 0.060 (2) | |
N5 | 0.8029 (5) | 0.0837 (3) | 0.7288 (4) | 0.0478 (16) | |
N6 | 0.9043 (6) | −0.1011 (3) | 0.7709 (4) | 0.0529 (17) | |
N7 | 0.9234 (5) | 0.2367 (3) | 0.8087 (4) | 0.0478 (15) | |
N8 | 1.1180 (5) | 0.2954 (3) | 0.8393 (4) | 0.0533 (18) | |
N9 | 0.6024 (5) | 0.4079 (3) | 0.7638 (4) | 0.0462 (17) | |
N10 | 0.5404 (6) | 0.5917 (4) | 0.7305 (5) | 0.0581 (19) | |
C1 | 0.5941 (7) | 0.1545 (4) | 0.9795 (4) | 0.0427 (19) | |
C2 | 0.8058 (6) | 0.3334 (4) | 0.5094 (4) | 0.045 (2) | |
C3 | 0.2841 (11) | 0.0296 (7) | 0.5975 (8) | 0.102 (4) | |
H3A | 0.2299 | −0.0248 | 0.6152 | 0.153* | |
H3B | 0.3926 | −0.0065 | 0.6276 | 0.153* | |
H3C | 0.2809 | 0.0599 | 0.5216 | 0.153* | |
C4 | 0.2075 (8) | 0.1196 (6) | 0.6399 (8) | 0.096 (4) | |
H4A | 0.1868 | 0.0865 | 0.7124 | 0.116* | |
H4B | 0.1057 | 0.1643 | 0.5989 | 0.116* | |
C5 | 0.4311 (7) | 0.1671 (5) | 0.6965 (6) | 0.060 (2) | |
H5A | 0.4844 | 0.0952 | 0.7431 | 0.072* | |
C6 | 0.3705 (8) | 0.3424 (5) | 0.6081 (6) | 0.062 (3) | |
H6A | 0.3735 | 0.4157 | 0.5820 | 0.074* | |
C7 | 0.2518 (9) | 0.3076 (6) | 0.5807 (7) | 0.072 (3) | |
H7A | 0.1624 | 0.3506 | 0.5327 | 0.087* | |
C8 | 1.1274 (10) | −0.2512 (6) | 0.8888 (9) | 0.109 (5) | |
H8A | 1.1694 | −0.3314 | 0.9233 | 0.164* | |
H8B | 1.1232 | −0.2130 | 0.9405 | 0.164* | |
H8C | 1.1947 | −0.2290 | 0.8355 | 0.164* | |
C9 | 0.9667 (9) | −0.2206 (4) | 0.8385 (7) | 0.073 (3) | |
H9A | 0.8961 | −0.2342 | 0.8934 | 0.088* | |
H9B | 0.9686 | −0.2686 | 0.7955 | 0.088* | |
C10 | 0.8399 (7) | −0.0130 (4) | 0.8061 (5) | 0.056 (2) | |
H10A | 0.8233 | −0.0195 | 0.8769 | 0.067* | |
C11 | 0.8469 (8) | 0.0556 (4) | 0.6395 (5) | 0.059 (2) | |
H11A | 0.8343 | 0.1064 | 0.5712 | 0.071* | |
C12 | 0.9123 (8) | −0.0587 (4) | 0.6664 (5) | 0.068 (3) | |
H12A | 0.9547 | −0.0996 | 0.6207 | 0.082* | |
C13 | 1.1545 (10) | 0.4369 (6) | 0.9102 (7) | 0.108 (4) | |
H13A | 1.2125 | 0.4882 | 0.9022 | 0.161* | |
H13B | 1.1741 | 0.3865 | 0.9821 | 0.161* | |
H13C | 1.0429 | 0.4788 | 0.8943 | 0.161* | |
C14 | 1.2060 (7) | 0.3714 (5) | 0.8373 (6) | 0.062 (2) | |
H14A | 1.1940 | 0.4231 | 0.7655 | 0.074* | |
H14B | 1.3180 | 0.3274 | 0.8555 | 0.074* | |
C15 | 0.9744 (7) | 0.3231 (4) | 0.7882 (5) | 0.056 (2) | |
H15A | 0.9178 | 0.3953 | 0.7434 | 0.067* | |
C16 | 1.0398 (8) | 0.1491 (5) | 0.8741 (6) | 0.066 (3) | |
H16A | 1.0372 | 0.0758 | 0.9007 | 0.079* | |
C17 | 1.1629 (8) | 0.1817 (5) | 0.8964 (7) | 0.062 (3) | |
H17A | 1.2561 | 0.1372 | 0.9404 | 0.074* | |
C18 | 0.6487 (10) | 0.7459 (6) | 0.6846 (9) | 0.106 (4) | |
H18A | 0.6350 | 0.8192 | 0.6346 | 0.159* | |
H18B | 0.7441 | 0.6919 | 0.6736 | 0.159* | |
H18C | 0.6565 | 0.7488 | 0.7557 | 0.159* | |
C19 | 0.5094 (9) | 0.7113 (5) | 0.6688 (8) | 0.078 (3) | |
H19A | 0.4160 | 0.7582 | 0.6914 | 0.094* | |
H19B | 0.4888 | 0.7225 | 0.5939 | 0.094* | |
C20 | 0.5755 (7) | 0.5061 (4) | 0.6890 (5) | 0.057 (2) | |
H20A | 0.5802 | 0.5152 | 0.6167 | 0.069* | |
C21 | 0.5814 (8) | 0.4322 (4) | 0.8556 (5) | 0.060 (2) | |
H21A | 0.5917 | 0.3794 | 0.9226 | 0.073* | |
C22 | 0.5429 (8) | 0.5460 (5) | 0.8358 (6) | 0.068 (3) | |
H22A | 0.5224 | 0.5842 | 0.8856 | 0.082* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ni1 | 0.0443 (5) | 0.0409 (4) | 0.0392 (5) | −0.0130 (3) | 0.0025 (5) | −0.0089 (3) |
S1 | 0.0810 (13) | 0.1040 (12) | 0.0472 (10) | −0.0353 (10) | 0.0160 (12) | −0.0106 (9) |
S2 | 0.0764 (12) | 0.0775 (10) | 0.0483 (10) | −0.0124 (9) | 0.0146 (12) | −0.0106 (8) |
N1 | 0.052 (3) | 0.055 (2) | 0.046 (3) | −0.021 (2) | 0.004 (4) | −0.012 (2) |
N2 | 0.058 (3) | 0.051 (2) | 0.044 (3) | −0.021 (2) | 0.002 (4) | −0.009 (2) |
N3 | 0.045 (3) | 0.055 (2) | 0.039 (3) | −0.014 (2) | −0.006 (3) | −0.011 (2) |
N4 | 0.039 (3) | 0.068 (3) | 0.079 (5) | −0.017 (2) | −0.004 (4) | −0.033 (3) |
N5 | 0.049 (3) | 0.041 (2) | 0.053 (3) | −0.017 (2) | 0.001 (3) | −0.013 (2) |
N6 | 0.054 (3) | 0.042 (2) | 0.060 (3) | −0.014 (2) | −0.004 (4) | −0.015 (2) |
N7 | 0.042 (2) | 0.050 (2) | 0.046 (3) | −0.013 (2) | −0.003 (3) | −0.010 (2) |
N8 | 0.044 (3) | 0.053 (2) | 0.062 (4) | −0.017 (2) | 0.006 (4) | −0.017 (3) |
N9 | 0.043 (3) | 0.044 (2) | 0.049 (3) | −0.0108 (19) | −0.003 (3) | −0.014 (2) |
N10 | 0.053 (3) | 0.046 (2) | 0.076 (4) | −0.015 (2) | 0.000 (4) | −0.021 (3) |
C1 | 0.040 (3) | 0.044 (2) | 0.035 (3) | −0.009 (2) | −0.016 (4) | −0.004 (2) |
C2 | 0.036 (3) | 0.039 (2) | 0.046 (4) | −0.005 (2) | −0.010 (4) | −0.002 (2) |
C3 | 0.116 (7) | 0.106 (5) | 0.133 (9) | −0.068 (5) | 0.021 (8) | −0.074 (6) |
C4 | 0.058 (4) | 0.103 (5) | 0.157 (9) | −0.037 (4) | 0.027 (7) | −0.070 (6) |
C5 | 0.053 (4) | 0.051 (3) | 0.072 (6) | −0.013 (3) | 0.000 (5) | −0.017 (3) |
C6 | 0.063 (4) | 0.063 (3) | 0.048 (4) | −0.016 (3) | −0.007 (5) | −0.007 (3) |
C7 | 0.059 (4) | 0.077 (4) | 0.072 (6) | −0.011 (4) | −0.005 (6) | −0.022 (4) |
C8 | 0.079 (5) | 0.071 (5) | 0.137 (11) | 0.010 (4) | −0.048 (9) | −0.011 (6) |
C9 | 0.084 (5) | 0.041 (3) | 0.084 (6) | −0.013 (3) | 0.008 (6) | −0.014 (3) |
C10 | 0.060 (4) | 0.049 (3) | 0.057 (4) | −0.019 (3) | 0.008 (4) | −0.015 (3) |
C11 | 0.076 (5) | 0.056 (3) | 0.047 (4) | −0.024 (3) | 0.010 (5) | −0.016 (3) |
C12 | 0.083 (5) | 0.056 (3) | 0.064 (5) | −0.017 (3) | 0.017 (5) | −0.023 (3) |
C13 | 0.126 (7) | 0.110 (6) | 0.149 (9) | −0.082 (5) | 0.068 (8) | −0.084 (6) |
C14 | 0.054 (4) | 0.062 (3) | 0.076 (5) | −0.028 (3) | 0.014 (5) | −0.022 (3) |
C15 | 0.051 (4) | 0.049 (3) | 0.064 (5) | −0.015 (3) | 0.008 (5) | −0.014 (3) |
C16 | 0.063 (4) | 0.047 (3) | 0.074 (6) | −0.017 (3) | −0.005 (5) | −0.004 (3) |
C17 | 0.055 (4) | 0.052 (3) | 0.064 (5) | −0.013 (3) | −0.011 (5) | −0.004 (3) |
C18 | 0.110 (6) | 0.085 (5) | 0.155 (10) | −0.063 (5) | 0.052 (8) | −0.053 (5) |
C19 | 0.077 (5) | 0.048 (3) | 0.107 (7) | −0.020 (3) | 0.001 (7) | −0.021 (4) |
C20 | 0.058 (4) | 0.044 (3) | 0.062 (4) | −0.012 (3) | 0.002 (4) | −0.010 (3) |
C21 | 0.063 (4) | 0.052 (3) | 0.062 (4) | −0.013 (3) | 0.011 (5) | −0.019 (3) |
C22 | 0.070 (5) | 0.064 (3) | 0.069 (5) | −0.013 (3) | 0.007 (5) | −0.029 (3) |
Ni1—N3 | 2.100 (6) | C4—H4B | 0.9700 |
Ni1—N1 | 2.109 (4) | C5—H5A | 0.9300 |
Ni1—N5 | 2.115 (4) | C6—C7 | 1.378 (12) |
Ni1—N2 | 2.115 (4) | C6—H6A | 0.9300 |
Ni1—N9 | 2.121 (4) | C7—H7A | 0.9300 |
Ni1—N7 | 2.131 (5) | C8—C9 | 1.469 (13) |
S1—C1 | 1.638 (5) | C8—H8A | 0.9600 |
S2—C2 | 1.631 (5) | C8—H8B | 0.9600 |
N1—C1 | 1.147 (6) | C8—H8C | 0.9600 |
N2—C2 | 1.151 (6) | C9—H9A | 0.9700 |
N3—C5 | 1.323 (7) | C9—H9B | 0.9700 |
N3—C6 | 1.360 (8) | C10—H10A | 0.9300 |
N4—C5 | 1.323 (10) | C11—C12 | 1.358 (7) |
N4—C7 | 1.381 (8) | C11—H11A | 0.9300 |
N4—C4 | 1.443 (9) | C12—H12A | 0.9300 |
N5—C10 | 1.312 (6) | C13—C14 | 1.461 (9) |
N5—C11 | 1.362 (7) | C13—H13A | 0.9600 |
N6—C12 | 1.337 (7) | C13—H13B | 0.9600 |
N6—C10 | 1.339 (7) | C13—H13C | 0.9600 |
N6—C9 | 1.475 (7) | C14—H14A | 0.9700 |
N7—C15 | 1.313 (7) | C14—H14B | 0.9700 |
N7—C16 | 1.342 (8) | C15—H15A | 0.9300 |
N8—C15 | 1.345 (10) | C16—C17 | 1.370 (12) |
N8—C17 | 1.380 (7) | C16—H16A | 0.9300 |
N8—C14 | 1.455 (8) | C17—H17A | 0.9300 |
N9—C20 | 1.318 (6) | C18—C19 | 1.495 (12) |
N9—C21 | 1.347 (8) | C18—H18A | 0.9600 |
N10—C22 | 1.338 (8) | C18—H18B | 0.9600 |
N10—C20 | 1.351 (7) | C18—H18C | 0.9600 |
N10—C19 | 1.471 (7) | C19—H19A | 0.9700 |
C3—C4 | 1.437 (9) | C19—H19B | 0.9700 |
C3—H3A | 0.9600 | C20—H20A | 0.9300 |
C3—H3B | 0.9600 | C21—C22 | 1.366 (7) |
C3—H3C | 0.9600 | C21—H21A | 0.9300 |
C4—H4A | 0.9700 | C22—H22A | 0.9300 |
N3—Ni1—N1 | 91.2 (2) | C9—C8—H8A | 109.5 |
N3—Ni1—N5 | 88.46 (19) | C9—C8—H8B | 109.5 |
N1—Ni1—N5 | 89.09 (16) | H8A—C8—H8B | 109.5 |
N3—Ni1—N2 | 88.9 (2) | C9—C8—H8C | 109.5 |
N1—Ni1—N2 | 179.8 (2) | H8A—C8—H8C | 109.5 |
N5—Ni1—N2 | 90.82 (16) | H8B—C8—H8C | 109.5 |
N3—Ni1—N9 | 93.02 (19) | C8—C9—N6 | 112.3 (6) |
N1—Ni1—N9 | 90.53 (16) | C8—C9—H9A | 109.2 |
N5—Ni1—N9 | 178.5 (2) | N6—C9—H9A | 109.2 |
N2—Ni1—N9 | 89.56 (16) | C8—C9—H9B | 109.2 |
N3—Ni1—N7 | 178.56 (14) | N6—C9—H9B | 109.2 |
N1—Ni1—N7 | 89.8 (2) | H9A—C9—H9B | 107.9 |
N5—Ni1—N7 | 90.56 (19) | N5—C10—N6 | 111.9 (5) |
N2—Ni1—N7 | 90.0 (2) | N5—C10—H10A | 124.0 |
N9—Ni1—N7 | 87.97 (19) | N6—C10—H10A | 124.0 |
C1—N1—Ni1 | 162.7 (4) | C12—C11—N5 | 109.0 (5) |
C2—N2—Ni1 | 160.8 (4) | C12—C11—H11A | 125.5 |
C5—N3—C6 | 105.5 (6) | N5—C11—H11A | 125.5 |
C5—N3—Ni1 | 125.0 (4) | N6—C12—C11 | 107.2 (5) |
C6—N3—Ni1 | 129.5 (4) | N6—C12—H12A | 126.4 |
C5—N4—C7 | 107.6 (6) | C11—C12—H12A | 126.4 |
C5—N4—C4 | 126.1 (6) | C14—C13—H13A | 109.5 |
C7—N4—C4 | 126.3 (7) | C14—C13—H13B | 109.5 |
C10—N5—C11 | 105.1 (4) | H13A—C13—H13B | 109.5 |
C10—N5—Ni1 | 125.9 (4) | C14—C13—H13C | 109.5 |
C11—N5—Ni1 | 129.0 (3) | H13A—C13—H13C | 109.5 |
C12—N6—C10 | 106.8 (4) | H13B—C13—H13C | 109.5 |
C12—N6—C9 | 127.8 (5) | N8—C14—C13 | 113.5 (5) |
C10—N6—C9 | 125.3 (5) | N8—C14—H14A | 108.9 |
C15—N7—C16 | 105.3 (6) | C13—C14—H14A | 108.9 |
C15—N7—Ni1 | 123.9 (4) | N8—C14—H14B | 108.9 |
C16—N7—Ni1 | 130.8 (4) | C13—C14—H14B | 108.9 |
C15—N8—C17 | 106.5 (6) | H14A—C14—H14B | 107.7 |
C15—N8—C14 | 126.5 (5) | N7—C15—N8 | 112.3 (5) |
C17—N8—C14 | 126.9 (6) | N7—C15—H15A | 123.9 |
C20—N9—C21 | 105.3 (5) | N8—C15—H15A | 123.9 |
C20—N9—Ni1 | 126.3 (4) | N7—C16—C17 | 111.2 (5) |
C21—N9—Ni1 | 127.5 (4) | N7—C16—H16A | 124.4 |
C22—N10—C20 | 106.9 (5) | C17—C16—H16A | 124.4 |
C22—N10—C19 | 128.0 (6) | C16—C17—N8 | 104.7 (7) |
C20—N10—C19 | 125.0 (6) | C16—C17—H17A | 127.7 |
N1—C1—S1 | 179.1 (5) | N8—C17—H17A | 127.7 |
N2—C2—S2 | 178.6 (5) | C19—C18—H18A | 109.5 |
C4—C3—H3A | 109.5 | C19—C18—H18B | 109.5 |
C4—C3—H3B | 109.5 | H18A—C18—H18B | 109.5 |
H3A—C3—H3B | 109.5 | C19—C18—H18C | 109.5 |
C4—C3—H3C | 109.5 | H18A—C18—H18C | 109.5 |
H3A—C3—H3C | 109.5 | H18B—C18—H18C | 109.5 |
H3B—C3—H3C | 109.5 | N10—C19—C18 | 110.5 (7) |
C3—C4—N4 | 115.7 (5) | N10—C19—H19A | 109.6 |
C3—C4—H4A | 108.4 | C18—C19—H19A | 109.6 |
N4—C4—H4A | 108.4 | N10—C19—H19B | 109.6 |
C3—C4—H4B | 108.4 | C18—C19—H19B | 109.6 |
N4—C4—H4B | 108.4 | H19A—C19—H19B | 108.1 |
H4A—C4—H4B | 107.4 | N9—C20—N10 | 111.4 (5) |
N3—C5—N4 | 112.2 (5) | N9—C20—H20A | 124.3 |
N3—C5—H5A | 123.9 | N10—C20—H20A | 124.3 |
N4—C5—H5A | 123.9 | N9—C21—C22 | 109.9 (5) |
N3—C6—C7 | 109.9 (6) | N9—C21—H21A | 125.0 |
N3—C6—H6A | 125.1 | C22—C21—H21A | 125.0 |
C7—C6—H6A | 125.1 | N10—C22—C21 | 106.5 (5) |
C6—C7—N4 | 104.9 (7) | N10—C22—H22A | 126.8 |
C6—C7—H7A | 127.6 | C21—C22—H22A | 126.8 |
N4—C7—H7A | 127.6 | ||
N3—Ni1—N1—C1 | −72.9 (18) | C6—N3—C5—N4 | 1.0 (7) |
N5—Ni1—N1—C1 | −161.3 (18) | Ni1—N3—C5—N4 | −176.4 (4) |
N9—Ni1—N1—C1 | 20.1 (18) | C7—N4—C5—N3 | −0.1 (7) |
N7—Ni1—N1—C1 | 108.1 (18) | C4—N4—C5—N3 | 179.3 (5) |
N3—Ni1—N2—C2 | −99.8 (16) | C5—N3—C6—C7 | −1.5 (7) |
N5—Ni1—N2—C2 | −11.3 (16) | Ni1—N3—C6—C7 | 175.6 (4) |
N9—Ni1—N2—C2 | 167.2 (16) | N3—C6—C7—N4 | 1.5 (8) |
N7—Ni1—N2—C2 | 79.2 (16) | C5—N4—C7—C6 | −0.9 (8) |
N1—Ni1—N3—C5 | −52.3 (4) | C4—N4—C7—C6 | 179.7 (6) |
N5—Ni1—N3—C5 | 36.8 (4) | C12—N6—C9—C8 | 93.3 (11) |
N2—Ni1—N3—C5 | 127.6 (4) | C10—N6—C9—C8 | −80.5 (9) |
N9—Ni1—N3—C5 | −142.9 (4) | C11—N5—C10—N6 | −0.3 (8) |
N1—Ni1—N3—C6 | 131.0 (5) | Ni1—N5—C10—N6 | −179.5 (4) |
N5—Ni1—N3—C6 | −139.9 (5) | C12—N6—C10—N5 | 1.5 (8) |
N2—Ni1—N3—C6 | −49.1 (5) | C9—N6—C10—N5 | 176.4 (6) |
N9—Ni1—N3—C6 | 40.4 (5) | C10—N5—C11—C12 | −1.0 (8) |
N3—Ni1—N5—C10 | −104.5 (5) | Ni1—N5—C11—C12 | 178.2 (4) |
N1—Ni1—N5—C10 | −13.3 (5) | C10—N6—C12—C11 | −2.0 (8) |
N2—Ni1—N5—C10 | 166.6 (5) | C9—N6—C12—C11 | −176.7 (7) |
N7—Ni1—N5—C10 | 76.6 (5) | N5—C11—C12—N6 | 1.9 (9) |
N3—Ni1—N5—C11 | 76.5 (6) | C15—N8—C14—C13 | 81.2 (9) |
N1—Ni1—N5—C11 | 167.7 (6) | C17—N8—C14—C13 | −96.6 (8) |
N2—Ni1—N5—C11 | −12.4 (6) | C16—N7—C15—N8 | −1.2 (7) |
N7—Ni1—N5—C11 | −102.5 (6) | Ni1—N7—C15—N8 | 179.2 (4) |
N1—Ni1—N7—C15 | −128.6 (4) | C17—N8—C15—N7 | 0.5 (7) |
N5—Ni1—N7—C15 | 142.4 (4) | C14—N8—C15—N7 | −177.7 (5) |
N2—Ni1—N7—C15 | 51.5 (4) | C15—N7—C16—C17 | 1.4 (8) |
N9—Ni1—N7—C15 | −38.0 (4) | Ni1—N7—C16—C17 | −179.0 (4) |
N1—Ni1—N7—C16 | 51.9 (5) | N7—C16—C17—N8 | −1.1 (8) |
N5—Ni1—N7—C16 | −37.2 (5) | C15—N8—C17—C16 | 0.3 (7) |
N2—Ni1—N7—C16 | −128.0 (5) | C14—N8—C17—C16 | 178.5 (6) |
N9—Ni1—N7—C16 | 142.4 (5) | C22—N10—C19—C18 | 73.6 (9) |
N3—Ni1—N9—C20 | −80.1 (6) | C20—N10—C19—C18 | −105.0 (9) |
N1—Ni1—N9—C20 | −171.3 (6) | C21—N9—C20—N10 | 0.9 (8) |
N2—Ni1—N9—C20 | 8.8 (6) | Ni1—N9—C20—N10 | −168.7 (4) |
N7—Ni1—N9—C20 | 98.9 (6) | C22—N10—C20—N9 | −0.9 (7) |
N3—Ni1—N9—C21 | 112.7 (6) | C19—N10—C20—N9 | 177.9 (6) |
N1—Ni1—N9—C21 | 21.4 (6) | C20—N9—C21—C22 | −0.5 (8) |
N2—Ni1—N9—C21 | −158.4 (6) | Ni1—N9—C21—C22 | 168.9 (4) |
N7—Ni1—N9—C21 | −68.4 (6) | C20—N10—C22—C21 | 0.6 (8) |
C5—N4—C4—C3 | −65.7 (12) | C19—N10—C22—C21 | −178.2 (7) |
C7—N4—C4—C3 | 113.6 (8) | N9—C21—C22—N10 | 0.0 (9) |