Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806047994/cf2073sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806047994/cf2073Isup2.hkl |
CCDC reference: 629470
Data collection: CrystalClear (Rigaku, 2000); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.
[Ni(C10H8N2)3][Pb2I6] | F(000) = 3024 |
Mr = 1703.04 | Dx = 2.773 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P2ybc | Cell parameters from 6737 reflections |
a = 17.2337 (14) Å | θ = 3.0–27.5° |
b = 14.7012 (8) Å | µ = 13.26 mm−1 |
c = 16.4273 (12) Å | T = 293 K |
β = 101.409 (5)° | Prism, orange |
V = 4079.7 (5) Å3 | 0.15 × 0.1 × 0.05 mm |
Z = 4 |
Rigaku Mercury CCD diffractometer | 9307 independent reflections |
Radiation source: Sealed Tube | 6421 reflections with I > 2σ(I) |
Graphite Monochromator monochromator | Rint = 0.058 |
ω scans | θmax = 27.5°, θmin = 3.0° |
Absorption correction: multi-scan (CrystalClear; Rigaku, 2000) | h = −22→20 |
Tmin = 0.332, Tmax = 1.000 | k = −19→19 |
31216 measured reflections | l = −18→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)] = 0.074 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.213 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0949P)2 + 47.3372P] where P = (Fo2 + 2Fc2)/3 |
9307 reflections | (Δ/σ)max = 0.005 |
406 parameters | Δρmax = 2.23 e Å−3 |
0 restraints | Δρmin = −2.30 e Å−3 |
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 | ||
Pb1 | 0.75986 (4) | 0.26490 (4) | 0.09253 (4) | 0.04841 (18) | |
Pb2 | 0.76238 (4) | 0.24652 (4) | −0.15644 (4) | 0.05274 (19) | |
I1 | 0.84621 (7) | 0.12378 (8) | 0.22481 (7) | 0.0623 (3) | |
I2 | 0.82275 (7) | 0.41419 (8) | 0.23693 (9) | 0.0703 (4) | |
I3 | 0.61299 (6) | 0.25685 (7) | 0.18682 (7) | 0.0551 (3) | |
I4 | 0.69398 (9) | 0.41064 (9) | −0.05657 (9) | 0.0801 (4) | |
I5 | 0.67484 (7) | 0.11678 (8) | −0.04249 (7) | 0.0610 (3) | |
I6 | 0.90944 (7) | 0.24560 (9) | −0.00229 (8) | 0.0648 (3) | |
Ni1 | 0.24847 (11) | 0.25607 (12) | 0.19411 (13) | 0.0424 (4) | |
N1 | 0.3251 (7) | 0.3426 (8) | 0.2711 (7) | 0.042 (3) | |
N2 | 0.3437 (6) | 0.1687 (7) | 0.2386 (7) | 0.039 (3) | |
N3 | 0.3046 (8) | 0.2842 (8) | 0.0928 (8) | 0.049 (3) | |
N4 | 0.1934 (7) | 0.1623 (9) | 0.1076 (8) | 0.050 (3) | |
N5 | 0.1573 (8) | 0.3478 (10) | 0.1686 (9) | 0.060 (4) | |
N6 | 0.1837 (7) | 0.2188 (10) | 0.2836 (10) | 0.059 (4) | |
C1 | 0.3115 (10) | 0.4302 (10) | 0.2870 (11) | 0.054 (4) | |
H1A | 0.2600 | 0.4517 | 0.2712 | 0.065* | |
C2 | 0.3667 (14) | 0.4880 (13) | 0.3238 (12) | 0.076 (6) | |
H2A | 0.3545 | 0.5484 | 0.3323 | 0.092* | |
C3 | 0.4446 (13) | 0.4543 (13) | 0.3495 (13) | 0.076 (5) | |
H3A | 0.4850 | 0.4922 | 0.3759 | 0.091* | |
C4 | 0.4598 (10) | 0.3635 (12) | 0.3346 (11) | 0.062 (4) | |
H4A | 0.5105 | 0.3396 | 0.3501 | 0.074* | |
C5 | 0.3973 (8) | 0.3097 (9) | 0.2962 (9) | 0.040 (3) | |
C6 | 0.4070 (8) | 0.2122 (10) | 0.2853 (9) | 0.044 (3) | |
C7 | 0.4743 (8) | 0.1624 (11) | 0.3169 (10) | 0.050 (4) | |
H7A | 0.5190 | 0.1917 | 0.3463 | 0.060* | |
C8 | 0.4755 (10) | 0.0701 (11) | 0.3054 (11) | 0.061 (4) | |
H8A | 0.5199 | 0.0360 | 0.3282 | 0.073* | |
C9 | 0.4092 (9) | 0.0291 (11) | 0.2590 (12) | 0.064 (5) | |
H9A | 0.4084 | −0.0334 | 0.2506 | 0.077* | |
C10 | 0.3457 (8) | 0.0794 (10) | 0.2260 (10) | 0.047 (4) | |
H10A | 0.3021 | 0.0511 | 0.1935 | 0.056* | |
C11 | 0.3618 (10) | 0.3415 (14) | 0.0965 (11) | 0.066 (5) | |
H11A | 0.3644 | 0.3914 | 0.1317 | 0.079* | |
C12 | 0.4223 (12) | 0.3302 (16) | 0.0472 (12) | 0.077 (6) | |
H12A | 0.4607 | 0.3742 | 0.0457 | 0.093* | |
C13 | 0.4194 (15) | 0.2548 (16) | 0.0050 (13) | 0.086 (7) | |
H13A | 0.4612 | 0.2414 | −0.0213 | 0.103* | |
C14 | 0.3556 (12) | 0.1916 (16) | −0.0027 (12) | 0.078 (6) | |
H14A | 0.3528 | 0.1404 | −0.0364 | 0.094* | |
C15 | 0.2976 (10) | 0.2107 (13) | 0.0428 (11) | 0.062 (5) | |
C16 | 0.2260 (10) | 0.1499 (11) | 0.0411 (10) | 0.054 (4) | |
C17 | 0.1997 (10) | 0.0910 (14) | −0.0231 (11) | 0.065 (5) | |
H17A | 0.2245 | 0.0852 | −0.0682 | 0.078* | |
C18 | 0.1347 (14) | 0.0416 (14) | −0.0160 (13) | 0.088 (7) | |
H18A | 0.1152 | −0.0001 | −0.0575 | 0.106* | |
C19 | 0.0956 (12) | 0.0501 (13) | 0.0503 (14) | 0.079 (6) | |
H19A | 0.0504 | 0.0171 | 0.0540 | 0.095* | |
C20 | 0.1315 (10) | 0.1145 (11) | 0.1126 (12) | 0.062 (4) | |
H20A | 0.1089 | 0.1221 | 0.1591 | 0.075* | |
C21 | 0.1435 (13) | 0.4088 (12) | 0.1128 (12) | 0.075 (6) | |
H21A | 0.1820 | 0.4148 | 0.0806 | 0.090* | |
C22 | 0.0800 (12) | 0.4677 (16) | 0.0929 (14) | 0.089 (7) | |
H22A | 0.0770 | 0.5130 | 0.0529 | 0.106* | |
C23 | 0.0219 (14) | 0.4529 (19) | 0.1378 (16) | 0.105 (9) | |
H23A | −0.0243 | 0.4872 | 0.1281 | 0.126* | |
C24 | 0.0341 (12) | 0.3847 (15) | 0.1986 (15) | 0.083 (6) | |
H24A | −0.0045 | 0.3755 | 0.2301 | 0.100* | |
C25 | 0.0981 (9) | 0.3327 (15) | 0.2131 (13) | 0.074 (6) | |
C26 | 0.1163 (10) | 0.2634 (12) | 0.2843 (12) | 0.059 (4) | |
C27 | 0.0673 (15) | 0.2429 (14) | 0.3354 (14) | 0.082 (7) | |
H27A | 0.0187 | 0.2722 | 0.3298 | 0.098* | |
C28 | 0.0885 (14) | 0.1800 (16) | 0.3946 (16) | 0.093 (7) | |
H28A | 0.0549 | 0.1662 | 0.4308 | 0.112* | |
C29 | 0.1587 (14) | 0.137 (2) | 0.4017 (15) | 0.107 (9) | |
H29A | 0.1749 | 0.0951 | 0.4444 | 0.128* | |
C30 | 0.2061 (11) | 0.1548 (12) | 0.3451 (11) | 0.065 (5) | |
H30A | 0.2535 | 0.1235 | 0.3484 | 0.078* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pb1 | 0.0501 (3) | 0.0550 (3) | 0.0416 (3) | 0.0019 (3) | 0.0126 (3) | 0.0055 (3) |
Pb2 | 0.0518 (4) | 0.0649 (4) | 0.0432 (4) | 0.0012 (3) | 0.0135 (3) | 0.0036 (3) |
I1 | 0.0713 (7) | 0.0620 (6) | 0.0552 (7) | 0.0176 (5) | 0.0164 (5) | 0.0121 (5) |
I2 | 0.0643 (7) | 0.0592 (7) | 0.0927 (9) | −0.0111 (5) | 0.0283 (6) | −0.0146 (6) |
I3 | 0.0437 (5) | 0.0618 (6) | 0.0622 (7) | 0.0007 (4) | 0.0164 (5) | −0.0037 (5) |
I4 | 0.0884 (9) | 0.0671 (8) | 0.0831 (9) | 0.0221 (7) | 0.0130 (7) | 0.0197 (7) |
I5 | 0.0577 (6) | 0.0674 (7) | 0.0554 (7) | −0.0088 (5) | 0.0054 (5) | 0.0006 (5) |
I6 | 0.0447 (6) | 0.0919 (9) | 0.0597 (7) | −0.0019 (5) | 0.0152 (5) | 0.0024 (6) |
Ni1 | 0.0349 (9) | 0.0433 (9) | 0.0504 (11) | 0.0024 (7) | 0.0117 (8) | −0.0038 (8) |
N1 | 0.045 (7) | 0.046 (6) | 0.038 (6) | 0.002 (5) | 0.014 (5) | 0.009 (5) |
N2 | 0.032 (6) | 0.042 (6) | 0.046 (7) | 0.003 (5) | 0.016 (5) | −0.003 (5) |
N3 | 0.060 (8) | 0.046 (7) | 0.045 (7) | 0.008 (6) | 0.020 (6) | −0.001 (6) |
N4 | 0.037 (6) | 0.058 (8) | 0.053 (8) | −0.008 (6) | 0.004 (6) | −0.017 (6) |
N5 | 0.052 (8) | 0.059 (8) | 0.068 (10) | 0.004 (7) | 0.009 (7) | −0.018 (8) |
N6 | 0.036 (7) | 0.065 (8) | 0.079 (10) | −0.003 (6) | 0.021 (7) | 0.012 (8) |
C1 | 0.051 (9) | 0.043 (8) | 0.071 (11) | 0.001 (7) | 0.018 (8) | −0.010 (8) |
C2 | 0.116 (17) | 0.055 (10) | 0.069 (13) | −0.005 (11) | 0.044 (12) | 0.003 (9) |
C3 | 0.084 (14) | 0.064 (11) | 0.079 (14) | −0.024 (10) | 0.017 (11) | −0.007 (10) |
C4 | 0.059 (10) | 0.064 (10) | 0.062 (11) | −0.009 (8) | 0.012 (8) | −0.009 (9) |
C5 | 0.035 (7) | 0.041 (7) | 0.052 (8) | 0.005 (6) | 0.025 (6) | −0.003 (6) |
C6 | 0.042 (8) | 0.052 (8) | 0.043 (8) | −0.003 (6) | 0.023 (6) | 0.010 (7) |
C7 | 0.035 (7) | 0.065 (10) | 0.052 (9) | 0.006 (7) | 0.013 (6) | −0.012 (8) |
C8 | 0.056 (10) | 0.053 (9) | 0.069 (12) | 0.008 (8) | 0.004 (8) | −0.011 (9) |
C9 | 0.052 (9) | 0.041 (8) | 0.102 (14) | 0.016 (7) | 0.020 (9) | −0.019 (9) |
C10 | 0.032 (7) | 0.046 (8) | 0.060 (10) | 0.000 (6) | 0.001 (6) | 0.002 (7) |
C11 | 0.054 (10) | 0.089 (13) | 0.060 (11) | 0.012 (9) | 0.024 (8) | 0.029 (10) |
C12 | 0.071 (12) | 0.097 (15) | 0.070 (13) | −0.027 (11) | 0.029 (10) | 0.003 (12) |
C13 | 0.097 (16) | 0.115 (18) | 0.057 (12) | −0.035 (13) | 0.040 (11) | −0.019 (12) |
C14 | 0.082 (14) | 0.095 (15) | 0.066 (12) | −0.005 (12) | 0.033 (11) | −0.008 (12) |
C15 | 0.059 (11) | 0.079 (12) | 0.045 (9) | 0.010 (9) | 0.005 (8) | 0.018 (9) |
C16 | 0.063 (10) | 0.049 (8) | 0.049 (9) | 0.011 (8) | 0.007 (8) | −0.005 (7) |
C17 | 0.042 (9) | 0.092 (13) | 0.059 (11) | 0.001 (9) | 0.004 (8) | −0.014 (10) |
C18 | 0.099 (16) | 0.082 (14) | 0.072 (14) | 0.010 (12) | −0.011 (12) | −0.047 (12) |
C19 | 0.069 (12) | 0.067 (12) | 0.095 (16) | −0.017 (10) | 0.000 (11) | −0.004 (11) |
C20 | 0.058 (10) | 0.058 (10) | 0.070 (12) | −0.007 (8) | 0.012 (9) | −0.015 (9) |
C21 | 0.098 (15) | 0.061 (11) | 0.051 (11) | 0.010 (10) | −0.021 (10) | −0.010 (9) |
C22 | 0.061 (13) | 0.099 (16) | 0.087 (16) | 0.027 (12) | −0.030 (12) | −0.027 (13) |
C23 | 0.070 (15) | 0.12 (2) | 0.10 (2) | 0.019 (14) | −0.031 (14) | −0.011 (16) |
C24 | 0.066 (13) | 0.082 (14) | 0.100 (17) | −0.001 (11) | 0.013 (12) | −0.001 (13) |
C25 | 0.031 (8) | 0.097 (14) | 0.095 (15) | −0.016 (9) | 0.017 (9) | −0.054 (13) |
C26 | 0.048 (9) | 0.062 (10) | 0.067 (12) | −0.018 (8) | 0.008 (8) | −0.018 (9) |
C27 | 0.106 (17) | 0.078 (14) | 0.079 (15) | −0.010 (12) | 0.066 (13) | −0.007 (11) |
C28 | 0.089 (16) | 0.089 (16) | 0.12 (2) | 0.000 (13) | 0.069 (15) | −0.011 (15) |
C29 | 0.081 (16) | 0.17 (3) | 0.081 (16) | −0.039 (16) | 0.041 (13) | −0.011 (16) |
C30 | 0.065 (11) | 0.069 (11) | 0.062 (11) | 0.008 (9) | 0.017 (9) | 0.004 (9) |
Pb1—I1 | 3.1561 (12) | C6—C7 | 1.38 (2) |
Pb1—I3 | 3.2203 (12) | C7—C8 | 1.37 (2) |
Pb1—I5 | 3.2438 (13) | C7—H7A | 0.930 |
Pb1—I2 | 3.2560 (14) | C8—C9 | 1.38 (2) |
Pb1—I6 | 3.2774 (13) | C8—H8A | 0.930 |
Pb1—I4 | 3.2830 (14) | C9—C10 | 1.34 (2) |
Pb2—I6 | 3.2088 (14) | C9—H9A | 0.930 |
Pb2—I2i | 3.2332 (14) | C10—H10A | 0.930 |
Pb2—I5 | 3.2457 (13) | C11—C12 | 1.45 (2) |
Pb2—I3i | 3.2617 (13) | C11—H11A | 0.930 |
Pb2—I1i | 3.2624 (13) | C12—C13 | 1.30 (3) |
Pb2—I4 | 3.2661 (16) | C12—H12A | 0.930 |
I1—Pb2ii | 3.2624 (13) | C13—C14 | 1.43 (3) |
I2—Pb2ii | 3.2332 (14) | C13—H13A | 0.930 |
I3—Pb2ii | 3.2617 (13) | C14—C15 | 1.39 (3) |
Ni1—N5 | 2.051 (14) | C14—H14A | 0.930 |
Ni1—N4 | 2.071 (12) | C15—C16 | 1.52 (2) |
Ni1—N1 | 2.074 (12) | C16—C17 | 1.37 (2) |
Ni1—N6 | 2.087 (14) | C17—C18 | 1.36 (3) |
Ni1—N2 | 2.098 (11) | C17—H17A | 0.930 |
Ni1—N3 | 2.124 (13) | C18—C19 | 1.39 (3) |
N1—C5 | 1.323 (17) | C18—H18A | 0.930 |
N1—C1 | 1.343 (18) | C19—C20 | 1.44 (2) |
N2—C10 | 1.331 (18) | C19—H19A | 0.930 |
N2—C6 | 1.363 (18) | C20—H20A | 0.930 |
N3—C11 | 1.29 (2) | C21—C22 | 1.38 (3) |
N3—C15 | 1.35 (2) | C21—H21A | 0.930 |
N4—C20 | 1.29 (2) | C22—C23 | 1.37 (3) |
N4—C16 | 1.33 (2) | C22—H22A | 0.930 |
N5—C21 | 1.27 (2) | C23—C24 | 1.40 (3) |
N5—C25 | 1.39 (2) | C23—H23A | 0.930 |
N6—C26 | 1.34 (2) | C24—C25 | 1.32 (3) |
N6—C30 | 1.38 (2) | C24—H24A | 0.930 |
C1—C2 | 1.33 (2) | C25—C26 | 1.54 (3) |
C1—H1A | 0.930 | C26—C27 | 1.34 (3) |
C2—C3 | 1.42 (3) | C27—C28 | 1.34 (3) |
C2—H2A | 0.930 | C27—H27A | 0.930 |
C3—C4 | 1.39 (3) | C28—C29 | 1.35 (3) |
C3—H3A | 0.930 | C28—H28A | 0.930 |
C4—C5 | 1.38 (2) | C29—C30 | 1.38 (3) |
C4—H4A | 0.930 | C29—H29A | 0.930 |
C5—C6 | 1.46 (2) | C30—H30A | 0.930 |
I1—Pb1—I3 | 87.31 (3) | C3—C4—H4A | 120.9 |
I1—Pb1—I5 | 96.73 (4) | N1—C5—C4 | 122.2 (14) |
I3—Pb1—I5 | 90.72 (3) | N1—C5—C6 | 116.4 (12) |
I1—Pb1—I2 | 84.14 (4) | C4—C5—C6 | 121.3 (13) |
I3—Pb1—I2 | 81.63 (3) | N2—C6—C7 | 118.8 (14) |
I5—Pb1—I2 | 172.26 (4) | N2—C6—C5 | 115.6 (12) |
I1—Pb1—I6 | 87.83 (3) | C7—C6—C5 | 125.6 (14) |
I3—Pb1—I6 | 172.92 (4) | C8—C7—C6 | 120.5 (15) |
I5—Pb1—I6 | 84.73 (3) | C8—C7—H7A | 119.8 |
I2—Pb1—I6 | 102.99 (4) | C6—C7—H7A | 119.8 |
I1—Pb1—I4 | 171.49 (4) | C7—C8—C9 | 118.3 (15) |
I3—Pb1—I4 | 101.19 (4) | C7—C8—H8A | 120.9 |
I5—Pb1—I4 | 83.41 (4) | C9—C8—H8A | 120.9 |
I2—Pb1—I4 | 96.88 (4) | C10—C9—C8 | 120.2 (15) |
I6—Pb1—I4 | 83.70 (4) | C10—C9—H9A | 119.9 |
I6—Pb2—I2i | 97.81 (4) | C8—C9—H9A | 119.9 |
I6—Pb2—I5 | 85.82 (3) | N2—C10—C9 | 121.6 (14) |
I2i—Pb2—I5 | 96.84 (4) | N2—C10—H10A | 119.2 |
I6—Pb2—I3i | 178.89 (4) | C9—C10—H10A | 119.2 |
I2i—Pb2—I3i | 81.35 (3) | N3—C11—C12 | 121.7 (19) |
I5—Pb2—I3i | 93.55 (3) | N3—C11—H11A | 119.1 |
I6—Pb2—I1i | 95.76 (3) | C12—C11—H11A | 119.1 |
I2i—Pb2—I1i | 82.83 (3) | C13—C12—C11 | 116.0 (19) |
I5—Pb2—I1i | 178.42 (3) | C13—C12—H12A | 122.0 |
I3i—Pb2—I1i | 84.87 (3) | C11—C12—H12A | 122.0 |
I6—Pb2—I4 | 85.06 (4) | C12—C13—C14 | 123 (2) |
I2i—Pb2—I4 | 177.11 (4) | C12—C13—H13A | 118.4 |
I5—Pb2—I4 | 83.64 (4) | C14—C13—H13A | 118.4 |
I3i—Pb2—I4 | 95.78 (4) | C15—C14—C13 | 116 (2) |
I1i—Pb2—I4 | 96.61 (4) | C15—C14—H14A | 121.8 |
Pb1—I1—Pb2ii | 79.82 (3) | C13—C14—H14A | 121.8 |
Pb2ii—I2—Pb1 | 78.80 (3) | N3—C15—C14 | 120.2 (18) |
Pb1—I3—Pb2ii | 78.90 (3) | N3—C15—C16 | 117.2 (15) |
Pb2—I4—Pb1 | 77.69 (3) | C14—C15—C16 | 122.5 (18) |
Pb1—I5—Pb2 | 78.54 (3) | N4—C16—C17 | 126.0 (17) |
Pb2—I6—Pb1 | 78.58 (3) | N4—C16—C15 | 112.0 (14) |
N5—Ni1—N4 | 94.0 (5) | C17—C16—C15 | 122.0 (16) |
N5—Ni1—N1 | 95.2 (5) | C18—C17—C16 | 115.1 (17) |
N4—Ni1—N1 | 167.7 (5) | C18—C17—H17A | 122.5 |
N5—Ni1—N6 | 79.7 (6) | C16—C17—H17A | 122.5 |
N4—Ni1—N6 | 94.2 (6) | C17—C18—C19 | 123.6 (17) |
N1—Ni1—N6 | 95.5 (5) | C17—C18—H18A | 118.2 |
N5—Ni1—N2 | 171.5 (5) | C19—C18—H18A | 118.2 |
N4—Ni1—N2 | 93.0 (5) | C18—C19—C20 | 114.0 (18) |
N1—Ni1—N2 | 78.7 (5) | C18—C19—H19A | 123.0 |
N6—Ni1—N2 | 94.8 (5) | C20—C19—H19A | 123.0 |
N5—Ni1—N3 | 99.3 (6) | N4—C20—C19 | 123.7 (18) |
N4—Ni1—N3 | 79.0 (5) | N4—C20—H20A | 118.1 |
N1—Ni1—N3 | 91.4 (5) | C19—C20—H20A | 118.1 |
N6—Ni1—N3 | 173.1 (6) | N5—C21—C22 | 130 (2) |
N2—Ni1—N3 | 86.9 (5) | N5—C21—H21A | 115.2 |
C5—N1—C1 | 118.6 (13) | C22—C21—H21A | 115.2 |
C5—N1—Ni1 | 114.3 (10) | C23—C22—C21 | 114 (3) |
C1—N1—Ni1 | 126.3 (10) | C23—C22—H22A | 123.2 |
C10—N2—C6 | 120.5 (12) | C21—C22—H22A | 123.2 |
C10—N2—Ni1 | 126.4 (9) | C22—C23—C24 | 118 (2) |
C6—N2—Ni1 | 113.1 (9) | C22—C23—H23A | 120.9 |
C11—N3—C15 | 121.8 (15) | C24—C23—H23A | 120.9 |
C11—N3—Ni1 | 123.6 (12) | C25—C24—C23 | 123 (2) |
C15—N3—Ni1 | 108.8 (11) | C25—C24—H24A | 118.5 |
C20—N4—C16 | 117.6 (14) | C23—C24—H24A | 118.5 |
C20—N4—Ni1 | 126.1 (12) | C24—C25—N5 | 119 (2) |
C16—N4—Ni1 | 116.3 (11) | C24—C25—C26 | 123.9 (19) |
C21—N5—C25 | 116.3 (18) | N5—C25—C26 | 116.6 (16) |
C21—N5—Ni1 | 129.6 (15) | N6—C26—C27 | 124 (2) |
C25—N5—Ni1 | 113.6 (14) | N6—C26—C25 | 111.4 (16) |
C26—N6—C30 | 116.5 (15) | C27—C26—C25 | 124.6 (19) |
C26—N6—Ni1 | 117.7 (12) | C26—C27—C28 | 120 (2) |
C30—N6—Ni1 | 125.7 (11) | C26—C27—H27A | 120.1 |
C2—C1—N1 | 124.5 (16) | C28—C27—H27A | 120.1 |
C2—C1—H1A | 117.8 | C27—C28—C29 | 120 (2) |
N1—C1—H1A | 117.8 | C27—C28—H28A | 120.1 |
C1—C2—C3 | 117.6 (18) | C29—C28—H28A | 120.1 |
C1—C2—H2A | 121.2 | C28—C29—C30 | 119 (3) |
C3—C2—H2A | 121.2 | C28—C29—H29A | 120.3 |
C4—C3—C2 | 119.0 (17) | C30—C29—H29A | 120.3 |
C4—C3—H3A | 120.5 | N6—C30—C29 | 121 (2) |
C2—C3—H3A | 120.5 | N6—C30—H30A | 119.7 |
C5—C4—C3 | 118.2 (17) | C29—C30—H30A | 119.7 |
C5—C4—H4A | 120.9 |
Symmetry codes: (i) x, −y+1/2, z−1/2; (ii) x, −y+1/2, z+1/2. |