Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806038050/ez2014sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806038050/ez2014Isup2.hkl |
CCDC reference: 608237
Data collection: SMART (Bruker, 2001); cell refinement: SMART; data reduction: SAINT-Plus (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.
[Ni(C2H8N2)3]2[Sn2Se6] | Dx = 2.250 Mg m−3 |
Mr = 1189.18 | Mo Kα radiation, λ = 0.71073 Å |
Orthorhombic, Pbca | Cell parameters from 6141 reflections |
a = 15.2885 (13) Å | θ = 2.4–27.9° |
b = 11.9367 (10) Å | µ = 8.71 mm−1 |
c = 19.2389 (16) Å | T = 293 K |
V = 3511.0 (5) Å3 | Block, red |
Z = 4 | 0.20 × 0.10 × 0.10 mm |
F(000) = 2256 |
Bruker SMART APEX CCD area-detector diffractometer | 4188 independent reflections |
Radiation source: fine-focus sealed tube | 3352 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.038 |
φ and ω scans | θmax = 28.0°, θmin = 2.1° |
Absorption correction: multi-scan (SADABS; Sheldrick, 2001) | h = −20→19 |
Tmin = 0.275, Tmax = 0.476 | k = −14→15 |
20244 measured reflections | l = −25→23 |
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)] = 0.030 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.068 | H-atom parameters constrained |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0331P)2] where P = (Fo2 + 2Fc2)/3 |
4188 reflections | (Δ/σ)max = 0.001 |
199 parameters | Δρmax = 0.88 e Å−3 |
15 restraints | Δρmin = −0.50 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 | Occ. (<1) | |
C1 | 0.7011 (3) | 0.7184 (3) | 0.0386 (2) | 0.0534 (11) | |
H1A | 0.7590 | 0.7418 | 0.0240 | 0.064* | 0.83 |
H1B | 0.6585 | 0.7683 | 0.0176 | 0.064* | 0.83 |
H1C | 0.7137 | 0.7655 | −0.0013 | 0.064* | 0.17 |
H1D | 0.7492 | 0.7236 | 0.0712 | 0.064* | 0.17 |
C2 | 0.6843 (2) | 0.6000 (3) | 0.0160 (2) | 0.0503 (10) | |
H2A | 0.6863 | 0.5947 | −0.0343 | 0.060* | 0.83 |
H2B | 0.7286 | 0.5506 | 0.0351 | 0.060* | 0.83 |
H2C | 0.6328 | 0.5949 | −0.0133 | 0.060* | 0.17 |
H2D | 0.7343 | 0.5731 | −0.0102 | 0.060* | 0.17 |
C3 | 0.6556 (3) | 0.5048 (4) | 0.2633 (2) | 0.0579 (12) | |
H3A | 0.7038 | 0.4635 | 0.2838 | 0.070* | 0.83 |
H3B | 0.6013 | 0.4744 | 0.2812 | 0.070* | 0.83 |
H3C | 0.6474 | 0.4617 | 0.3055 | 0.070* | 0.17 |
H3D | 0.7084 | 0.4787 | 0.2405 | 0.070* | 0.17 |
C4 | 0.6627 (3) | 0.6255 (4) | 0.2815 (2) | 0.0597 (12) | |
H4A | 0.7176 | 0.6557 | 0.2645 | 0.072* | 0.83 |
H4B | 0.6609 | 0.6349 | 0.3315 | 0.072* | 0.83 |
H4C | 0.7056 | 0.6370 | 0.3180 | 0.072* | 0.17 |
H4D | 0.6070 | 0.6558 | 0.2966 | 0.072* | 0.17 |
C5 | 0.3923 (2) | 0.5985 (3) | 0.1289 (2) | 0.0506 (10) | |
H5A | 0.3369 | 0.5730 | 0.1476 | 0.061* | 0.83 |
H5B | 0.3911 | 0.5887 | 0.0789 | 0.061* | 0.83 |
H5C | 0.3849 | 0.5520 | 0.1698 | 0.061* | 0.17 |
H5D | 0.3416 | 0.5900 | 0.0990 | 0.061* | 0.17 |
C6 | 0.4059 (2) | 0.7196 (3) | 0.1463 (2) | 0.0541 (11) | |
H6A | 0.3598 | 0.7650 | 0.1262 | 0.065* | 0.83 |
H6B | 0.4058 | 0.7304 | 0.1963 | 0.065* | 0.83 |
H6C | 0.3538 | 0.7493 | 0.1684 | 0.065* | 0.17 |
H6D | 0.4180 | 0.7638 | 0.1051 | 0.065* | 0.17 |
Ni1 | 0.58280 (3) | 0.62549 (4) | 0.14436 (2) | 0.03185 (11) | |
N1 | 0.6941 (2) | 0.7231 (3) | 0.11582 (19) | 0.0455 (9) | 0.83 |
H1E | 0.6873 | 0.7944 | 0.1301 | 0.055* | 0.83 |
H1F | 0.7427 | 0.6951 | 0.1356 | 0.055* | 0.83 |
N2 | 0.5970 (2) | 0.5672 (3) | 0.0416 (2) | 0.0404 (9) | 0.83 |
H2E | 0.5914 | 0.4922 | 0.0404 | 0.048* | 0.83 |
H2F | 0.5553 | 0.5973 | 0.0143 | 0.048* | 0.83 |
N1' | 0.6136 (12) | 0.7539 (16) | 0.0740 (10) | 0.0455 (9) | 0.17 |
H1'1 | 0.5710 | 0.7614 | 0.0421 | 0.055* | 0.17 |
H1'2 | 0.6201 | 0.8195 | 0.0965 | 0.055* | 0.17 |
N2' | 0.6728 (12) | 0.5322 (15) | 0.0812 (9) | 0.0404 (9) | 0.17 |
H2'1 | 0.7243 | 0.5236 | 0.1032 | 0.048* | 0.17 |
H2'2 | 0.6510 | 0.4640 | 0.0712 | 0.048* | 0.17 |
N3 | 0.6579 (3) | 0.4935 (3) | 0.1863 (2) | 0.0469 (10) | 0.83 |
H3E | 0.6354 | 0.4270 | 0.1734 | 0.056* | 0.83 |
H3F | 0.7133 | 0.4976 | 0.1709 | 0.056* | 0.83 |
N4 | 0.5871 (3) | 0.6859 (3) | 0.24835 (19) | 0.0566 (11) | 0.83 |
H4E | 0.5958 | 0.7604 | 0.2491 | 0.068* | 0.83 |
H4F | 0.5369 | 0.6703 | 0.2708 | 0.068* | 0.83 |
N3' | 0.5800 (12) | 0.4899 (13) | 0.2164 (9) | 0.039 (4) | 0.17 |
H3'1 | 0.5298 | 0.4908 | 0.2409 | 0.047* | 0.17 |
H3'2 | 0.5838 | 0.4240 | 0.1939 | 0.047* | 0.17 |
N4' | 0.6880 (11) | 0.6808 (16) | 0.2147 (8) | 0.044 (5) | 0.17 |
H4'1 | 0.7407 | 0.6571 | 0.1999 | 0.053* | 0.17 |
H4'2 | 0.6888 | 0.7559 | 0.2190 | 0.053* | 0.17 |
N5 | 0.4647 (2) | 0.5323 (3) | 0.1591 (2) | 0.0428 (9) | 0.83 |
H5E | 0.4686 | 0.4653 | 0.1378 | 0.051* | 0.83 |
H5F | 0.4552 | 0.5206 | 0.2047 | 0.051* | 0.83 |
N6 | 0.4926 (2) | 0.7513 (3) | 0.1164 (2) | 0.0421 (9) | 0.83 |
H6E | 0.5099 | 0.8180 | 0.1333 | 0.051* | 0.83 |
H6F | 0.4888 | 0.7566 | 0.0698 | 0.051* | 0.83 |
N5' | 0.4733 (10) | 0.5710 (12) | 0.0907 (9) | 0.029 (4) | 0.17 |
H5'1 | 0.4719 | 0.6037 | 0.0485 | 0.035* | 0.17 |
H5'2 | 0.4766 | 0.4964 | 0.0844 | 0.035* | 0.17 |
N6' | 0.4899 (12) | 0.7265 (15) | 0.2003 (9) | 0.039 (4) | 0.17 |
H6'1 | 0.4770 | 0.6970 | 0.2421 | 0.047* | 0.17 |
H6'2 | 0.5089 | 0.7974 | 0.2058 | 0.047* | 0.17 |
Se1 | 0.54132 (3) | 0.28499 (3) | 0.07809 (2) | 0.04751 (12) | |
Se2 | 0.60889 (2) | 0.00180 (3) | −0.044006 (19) | 0.03512 (10) | |
Se3 | 0.61362 (2) | −0.00399 (3) | 0.173637 (18) | 0.03777 (10) | |
Sn1 | 0.543824 (15) | 0.079322 (19) | 0.069915 (11) | 0.02871 (7) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.042 (2) | 0.062 (3) | 0.056 (3) | −0.0078 (19) | 0.011 (2) | 0.015 (2) |
C2 | 0.039 (2) | 0.072 (3) | 0.040 (2) | 0.008 (2) | 0.0097 (18) | −0.006 (2) |
C3 | 0.057 (3) | 0.068 (3) | 0.049 (3) | 0.004 (2) | 0.000 (2) | 0.023 (2) |
C4 | 0.063 (3) | 0.086 (3) | 0.030 (2) | −0.006 (2) | −0.012 (2) | 0.006 (2) |
C5 | 0.035 (2) | 0.061 (3) | 0.056 (3) | −0.0032 (18) | 0.0029 (18) | 0.002 (2) |
C6 | 0.041 (2) | 0.049 (2) | 0.073 (3) | 0.0120 (18) | 0.007 (2) | 0.005 (2) |
Ni1 | 0.0331 (2) | 0.0323 (2) | 0.0301 (2) | 0.00201 (19) | 0.00188 (19) | 0.00126 (19) |
N1 | 0.034 (2) | 0.045 (2) | 0.057 (3) | −0.0001 (16) | 0.0022 (18) | −0.0006 (19) |
N2 | 0.043 (2) | 0.038 (2) | 0.040 (2) | 0.0012 (16) | 0.0048 (17) | −0.0007 (16) |
N1' | 0.034 (2) | 0.045 (2) | 0.057 (3) | −0.0001 (16) | 0.0022 (18) | −0.0006 (19) |
N2' | 0.043 (2) | 0.038 (2) | 0.040 (2) | 0.0012 (16) | 0.0048 (17) | −0.0007 (16) |
N3 | 0.043 (2) | 0.048 (2) | 0.050 (2) | 0.0006 (18) | −0.0043 (19) | 0.0082 (19) |
N4 | 0.067 (3) | 0.065 (3) | 0.037 (2) | 0.006 (2) | −0.001 (2) | −0.004 (2) |
N3' | 0.045 (11) | 0.026 (9) | 0.047 (11) | 0.004 (8) | −0.008 (9) | 0.011 (8) |
N4' | 0.028 (9) | 0.077 (14) | 0.028 (10) | 0.007 (9) | 0.012 (7) | 0.004 (9) |
N5 | 0.045 (2) | 0.041 (2) | 0.043 (2) | −0.0019 (17) | 0.0100 (18) | 0.0006 (18) |
N6 | 0.045 (2) | 0.038 (2) | 0.043 (2) | 0.0042 (17) | −0.0038 (18) | 0.0000 (17) |
N5' | 0.033 (9) | 0.020 (8) | 0.034 (9) | 0.006 (6) | 0.010 (7) | 0.010 (7) |
N6' | 0.039 (10) | 0.044 (10) | 0.034 (10) | −0.012 (8) | 0.002 (8) | −0.004 (8) |
Se1 | 0.0633 (3) | 0.0284 (2) | 0.0508 (3) | −0.00028 (17) | −0.00756 (19) | −0.00565 (17) |
Se2 | 0.03093 (19) | 0.0453 (2) | 0.02912 (19) | −0.00346 (15) | −0.00089 (14) | −0.00647 (16) |
Se3 | 0.0399 (2) | 0.0476 (2) | 0.0259 (2) | 0.00273 (16) | −0.00670 (14) | 0.00012 (16) |
Sn1 | 0.03272 (13) | 0.02863 (13) | 0.02476 (13) | −0.00118 (9) | −0.00424 (9) | −0.00268 (9) |
C1—N1 | 1.491 (5) | Ni1—N3 | 2.110 (4) |
C1—C2 | 1.502 (6) | Ni1—N4 | 2.128 (4) |
C1—N1' | 1.559 (18) | Ni1—N3' | 2.132 (16) |
C1—H1A | 0.9700 | Ni1—N1 | 2.134 (4) |
C1—H1B | 0.9700 | Ni1—N5 | 2.140 (4) |
C1—H1C | 0.9700 | Ni1—N2' | 2.147 (17) |
C1—H1D | 0.9700 | Ni1—N6' | 2.152 (18) |
C2—N2 | 1.475 (4) | Ni1—N4' | 2.204 (18) |
C2—N2' | 1.503 (17) | N1—H1D | 1.2032 |
C2—H2A | 0.9700 | N1—H1E | 0.9000 |
C2—H2B | 0.9700 | N1—H1F | 0.9000 |
C2—H2C | 0.9700 | N2—H2C | 1.2341 |
C2—H2D | 0.9700 | N2—H2E | 0.9000 |
C3—N3' | 1.477 (18) | N2—H2F | 0.9000 |
C3—N3 | 1.487 (5) | N1'—H1'1 | 0.9000 |
C3—C4 | 1.487 (6) | N1'—H1'2 | 0.9000 |
C3—H3A | 0.9700 | N2'—H2'1 | 0.9000 |
C3—H3B | 0.9700 | N2'—H2'2 | 0.9000 |
C3—H3C | 0.9700 | N3—H3E | 0.9000 |
C3—H3D | 0.9700 | N3—H3F | 0.9000 |
C4—N4' | 1.495 (16) | N4—H4D | 1.0410 |
C4—N4 | 1.503 (5) | N4—H4E | 0.9000 |
C4—H4A | 0.9700 | N4—H4F | 0.9000 |
C4—H4B | 0.9700 | N3'—H3'1 | 0.9000 |
C4—H4C | 0.9700 | N3'—H3'2 | 0.9000 |
C4—H4D | 0.9699 | N4'—H4'1 | 0.9000 |
C5—N5' | 1.477 (15) | N4'—H4'2 | 0.9000 |
C5—N5 | 1.478 (4) | N5—H5C | 1.2600 |
C5—C6 | 1.498 (6) | N5—H5E | 0.9000 |
C5—H5A | 0.9700 | N5—H5F | 0.9000 |
C5—H5B | 0.9700 | N6—H6D | 1.1702 |
C5—H5C | 0.9700 | N6—H6E | 0.9000 |
C5—H5D | 0.9700 | N6—H6F | 0.9000 |
C6—N6 | 1.493 (4) | N5'—H5'1 | 0.9000 |
C6—N6' | 1.654 (18) | N5'—H5'2 | 0.9000 |
C6—H6A | 0.9700 | N6'—H6'1 | 0.9000 |
C6—H6B | 0.9700 | N6'—H6'2 | 0.9000 |
C6—H6C | 0.9700 | Se1—Sn1 | 2.4603 (5) |
C6—H6D | 0.9700 | Se2—Sn1i | 2.5763 (4) |
Ni1—N5' | 2.071 (17) | Se2—Sn1 | 2.5786 (4) |
Ni1—N1' | 2.098 (19) | Se3—Sn1 | 2.4717 (4) |
Ni1—N2 | 2.108 (4) | Sn1—Se2i | 2.5763 (4) |
Ni1—N6 | 2.109 (4) | ||
N1—C1—C2 | 108.2 (3) | N3—Ni1—N4 | 82.90 (15) |
N1—C1—N1' | 59.5 (7) | N5'—Ni1—N3' | 94.0 (6) |
C2—C1—N1' | 103.6 (8) | N1'—Ni1—N3' | 168.2 (7) |
N1—C1—H1A | 110.1 | N2—Ni1—N3' | 111.2 (5) |
C2—C1—H1A | 110.1 | N6—Ni1—N3' | 133.9 (5) |
N1'—C1—H1A | 146.2 | N4—Ni1—N3' | 69.3 (5) |
N1—C1—H1B | 110.1 | N5'—Ni1—N1 | 133.4 (4) |
C2—C1—H1B | 110.1 | N2—Ni1—N1 | 81.75 (14) |
N1'—C1—H1B | 55.9 | N6—Ni1—N1 | 93.84 (14) |
H1A—C1—H1B | 108.4 | N3—Ni1—N1 | 94.17 (15) |
N1—C1—H1C | 141.3 | N4—Ni1—N1 | 91.85 (16) |
C2—C1—H1C | 110.5 | N3'—Ni1—N1 | 126.8 (5) |
N1'—C1—H1C | 111.1 | N1'—Ni1—N5 | 130.9 (5) |
H1A—C1—H1C | 54.7 | N2—Ni1—N5 | 92.28 (14) |
H1B—C1—H1C | 56.7 | N6—Ni1—N5 | 81.49 (14) |
N1—C1—H1D | 53.6 | N3—Ni1—N5 | 91.15 (14) |
C2—C1—H1D | 112.1 | N4—Ni1—N5 | 94.46 (16) |
N1'—C1—H1D | 110.6 | N1—Ni1—N5 | 172.21 (15) |
H1A—C1—H1D | 58.4 | N5'—Ni1—N2' | 94.2 (7) |
H1B—C1—H1D | 137.8 | N1'—Ni1—N2' | 82.5 (7) |
H1C—C1—H1D | 108.9 | N6—Ni1—N2' | 130.1 (5) |
N2—C2—C1 | 107.9 (3) | N4—Ni1—N2' | 133.5 (5) |
N2—C2—N2' | 58.2 (8) | N3'—Ni1—N2' | 89.3 (7) |
C1—C2—N2' | 106.6 (7) | N5—Ni1—N2' | 110.2 (5) |
N2—C2—H2A | 110.1 | N5'—Ni1—N6' | 83.8 (6) |
C1—C2—H2A | 110.1 | N1'—Ni1—N6' | 93.5 (7) |
N2'—C2—H2A | 143.2 | N2—Ni1—N6' | 136.3 (5) |
N2—C2—H2B | 110.1 | N3—Ni1—N6' | 125.9 (5) |
C1—C2—H2B | 110.1 | N3'—Ni1—N6' | 95.0 (7) |
N2'—C2—H2B | 55.8 | N1—Ni1—N6' | 110.4 (5) |
H2A—C2—H2B | 108.4 | N5—Ni1—N6' | 70.6 (5) |
N2—C2—H2C | 56.2 | N2'—Ni1—N6' | 175.4 (7) |
C1—C2—H2C | 111.4 | N5'—Ni1—N4' | 171.9 (6) |
N2'—C2—H2C | 110.9 | N1'—Ni1—N4' | 90.8 (7) |
H2A—C2—H2C | 56.1 | N2—Ni1—N4' | 126.9 (4) |
H2B—C2—H2C | 138.5 | N6—Ni1—N4' | 114.9 (5) |
N2—C2—H2D | 142.9 | N3'—Ni1—N4' | 80.9 (7) |
C1—C2—H2D | 109.1 | N5—Ni1—N4' | 133.7 (4) |
N2'—C2—H2D | 110.4 | N2'—Ni1—N4' | 92.0 (7) |
H2A—C2—H2D | 55.6 | N6'—Ni1—N4' | 90.4 (6) |
H2B—C2—H2D | 56.4 | C1—N1—Ni1 | 107.0 (2) |
H2C—C2—H2D | 108.4 | Ni1—N1—H1D | 138.1 |
N3'—C3—N3 | 53.1 (8) | C1—N1—H1E | 110.3 |
N3'—C3—C4 | 108.5 (7) | Ni1—N1—H1E | 110.3 |
N3—C3—C4 | 108.7 (3) | H1D—N1—H1E | 107.0 |
N3'—C3—H3A | 141.4 | C1—N1—H1F | 110.3 |
N3—C3—H3A | 109.9 | Ni1—N1—H1F | 110.3 |
C4—C3—H3A | 109.9 | H1E—N1—H1F | 108.6 |
N3'—C3—H3B | 60.1 | C2—N2—Ni1 | 108.6 (3) |
N3—C3—H3B | 109.9 | Ni1—N2—H2C | 139.5 |
C4—C3—H3B | 109.9 | C2—N2—H2E | 110.0 |
H3A—C3—H3B | 108.3 | Ni1—N2—H2E | 110.0 |
N3'—C3—H3C | 110.2 | H2C—N2—H2E | 106.7 |
N3—C3—H3C | 142.1 | C2—N2—H2F | 110.0 |
C4—C3—H3C | 109.0 | Ni1—N2—H2F | 110.0 |
H3A—C3—H3C | 59.2 | H2E—N2—H2F | 108.4 |
H3B—C3—H3C | 52.5 | C1—N1'—Ni1 | 106.0 (10) |
N3'—C3—H3D | 109.8 | C1—N1'—H1'1 | 110.5 |
N3—C3—H3D | 60.2 | Ni1—N1'—H1'1 | 110.5 |
C4—C3—H3D | 110.9 | C1—N1'—H1'2 | 110.5 |
H3A—C3—H3D | 52.3 | Ni1—N1'—H1'2 | 110.5 |
H3B—C3—H3D | 138.9 | H1'1—N1'—H1'2 | 108.7 |
H3C—C3—H3D | 108.4 | C2—N2'—Ni1 | 105.5 (9) |
C3—C4—N4' | 104.1 (8) | C2—N2'—H2'1 | 110.6 |
C3—C4—N4 | 107.9 (3) | Ni1—N2'—H2'1 | 110.6 |
N4'—C4—N4 | 67.9 (7) | C2—N2'—H2'2 | 110.6 |
C3—C4—H4A | 110.1 | Ni1—N2'—H2'2 | 110.6 |
N4'—C4—H4A | 47.4 | H2'1—N2'—H2'2 | 108.8 |
N4—C4—H4A | 110.1 | C3—N3—Ni1 | 107.5 (3) |
C3—C4—H4B | 110.1 | Ni1—N3—H3D | 136.6 |
N4'—C4—H4B | 144.1 | C3—N3—H3E | 110.2 |
N4—C4—H4B | 110.1 | Ni1—N3—H3E | 110.2 |
H4A—C4—H4B | 108.4 | H3D—N3—H3E | 109.0 |
C3—C4—H4C | 110.9 | C3—N3—H3F | 110.2 |
N4'—C4—H4C | 112.6 | Ni1—N3—H3F | 110.2 |
N4—C4—H4C | 139.3 | H3E—N3—H3F | 108.5 |
H4A—C4—H4C | 66.9 | C4—N4—Ni1 | 105.1 (3) |
H4B—C4—H4C | 44.3 | Ni1—N4—H4D | 137.0 |
C3—C4—H4D | 111.6 | C4—N4—H4E | 110.7 |
N4'—C4—H4D | 108.7 | Ni1—N4—H4E | 110.7 |
N4—C4—H4D | 43.4 | H4D—N4—H4E | 106.5 |
H4A—C4—H4D | 136.2 | C4—N4—H4F | 110.7 |
H4B—C4—H4D | 68.5 | Ni1—N4—H4F | 110.7 |
H4C—C4—H4D | 108.8 | H4E—N4—H4F | 108.8 |
N5'—C5—N5 | 56.6 (6) | C3—N3'—Ni1 | 106.8 (10) |
N5'—C5—C6 | 102.1 (6) | C3—N3'—H3'1 | 110.4 |
N5—C5—C6 | 108.9 (3) | Ni1—N3'—H3'1 | 110.4 |
N5'—C5—H5A | 148.0 | C3—N3'—H3'2 | 110.4 |
N5—C5—H5A | 109.9 | Ni1—N3'—H3'2 | 110.4 |
C6—C5—H5A | 109.9 | H3'1—N3'—H3'2 | 108.6 |
N5'—C5—H5B | 59.7 | C4—N4'—Ni1 | 101.9 (9) |
N5—C5—H5B | 109.9 | C4—N4'—H4'1 | 111.4 |
C6—C5—H5B | 109.9 | Ni1—N4'—H4'1 | 111.4 |
H5A—C5—H5B | 108.3 | C4—N4'—H4'2 | 111.4 |
N5'—C5—H5C | 112.1 | Ni1—N4'—H4'2 | 111.4 |
N5—C5—H5C | 57.5 | H4'1—N4'—H4'2 | 109.2 |
C6—C5—H5C | 112.8 | C5—N5—Ni1 | 107.6 (2) |
H5A—C5—H5C | 54.3 | Ni1—N5—H5C | 137.9 |
H5B—C5—H5C | 137.3 | C5—N5—H5E | 110.2 |
N5'—C5—H5D | 110.6 | Ni1—N5—H5E | 110.2 |
N5—C5—H5D | 140.8 | H5C—N5—H5E | 107.7 |
C6—C5—H5D | 110.1 | C5—N5—H5F | 110.2 |
H5A—C5—H5D | 59.3 | Ni1—N5—H5F | 110.2 |
H5B—C5—H5D | 52.0 | H5E—N5—H5F | 108.5 |
H5C—C5—H5D | 109.1 | C6—N6—Ni1 | 107.5 (2) |
N6—C6—C5 | 106.3 (3) | Ni1—N6—H6D | 140.9 |
C5—C6—N6' | 107.3 (7) | C6—N6—H6E | 110.2 |
N6—C6—H6A | 110.5 | Ni1—N6—H6E | 110.2 |
C5—C6—H6A | 110.5 | H6D—N6—H6E | 103.9 |
N6'—C6—H6A | 141.9 | C6—N6—H6F | 110.2 |
N6—C6—H6B | 110.5 | Ni1—N6—H6F | 110.2 |
C5—C6—H6B | 110.5 | H6E—N6—H6F | 108.5 |
H6A—C6—H6B | 108.7 | C5—N5'—Ni1 | 111.1 (9) |
N6—C6—H6C | 143.6 | C5—N5'—H5'1 | 109.4 |
C5—C6—H6C | 109.7 | Ni1—N5'—H5'1 | 109.4 |
N6'—C6—H6C | 110.1 | C5—N5'—H5'2 | 109.4 |
C5—C6—H6D | 111.6 | Ni1—N5'—H5'2 | 109.4 |
N6'—C6—H6D | 109.8 | H5'1—N5'—H5'2 | 108.0 |
H6B—C6—H6D | 137.6 | C6—N6'—Ni1 | 99.8 (8) |
H6C—C6—H6D | 108.4 | C6—N6'—H6'1 | 111.8 |
N5'—Ni1—N1' | 95.1 (7) | Ni1—N6'—H6'1 | 111.8 |
N5'—Ni1—N2 | 60.8 (4) | C6—N6'—H6'2 | 111.8 |
N2—Ni1—N6 | 93.61 (15) | Ni1—N6'—H6'2 | 111.8 |
N5'—Ni1—N3 | 113.3 (4) | H6'1—N6'—H6'2 | 109.5 |
N1'—Ni1—N3 | 132.1 (5) | Sn1i—Se2—Sn1 | 87.120 (13) |
N2—Ni1—N3 | 93.23 (15) | Se1—Sn1—Se3 | 110.887 (16) |
N6—Ni1—N3 | 170.13 (15) | Se1—Sn1—Se2i | 111.923 (16) |
N5'—Ni1—N4 | 126.9 (4) | Se3—Sn1—Se2i | 113.341 (15) |
N1'—Ni1—N4 | 110.6 (5) | Se1—Sn1—Se2 | 114.734 (15) |
N2—Ni1—N4 | 172.29 (16) | Se3—Sn1—Se2 | 112.042 (16) |
N6—Ni1—N4 | 91.10 (15) | Se2i—Sn1—Se2 | 92.881 (13) |
N1—C1—C2—N2 | 57.7 (4) | N5—Ni1—N4—C4 | 109.6 (3) |
N1'—C1—C2—N2 | −4.3 (8) | N2'—Ni1—N4—C4 | −13.9 (7) |
N1—C1—C2—N2' | −3.5 (8) | N6'—Ni1—N4—C4 | 169.8 (7) |
N1'—C1—C2—N2' | −65.5 (11) | N4'—Ni1—N4—C4 | −43.9 (7) |
N3'—C3—C4—N4' | −67.9 (11) | N3—C3—N3'—Ni1 | −58.0 (7) |
N3—C3—C4—N4' | −11.6 (8) | C4—C3—N3'—Ni1 | 41.9 (11) |
N3'—C3—C4—N4 | 3.0 (9) | N5'—Ni1—N3'—C3 | 178.7 (10) |
N3—C3—C4—N4 | 59.3 (4) | N1'—Ni1—N3'—C3 | 39 (4) |
N5'—C5—C6—N6 | 0.4 (8) | N2—Ni1—N3'—C3 | 118.6 (9) |
N5—C5—C6—N6 | 59.0 (4) | N6—Ni1—N3'—C3 | −123.6 (8) |
N5'—C5—C6—N6' | −65.4 (10) | N3—Ni1—N3'—C3 | 53.7 (8) |
N5—C5—C6—N6' | −6.8 (8) | N4—Ni1—N3'—C3 | −53.2 (9) |
C2—C1—N1—Ni1 | −42.7 (4) | N1—Ni1—N3'—C3 | 22.9 (13) |
N1'—C1—N1—Ni1 | 52.7 (8) | N5—Ni1—N3'—C3 | −161.4 (12) |
N1'—Ni1—N1—C1 | −49.7 (8) | N2'—Ni1—N3'—C3 | 84.6 (11) |
N2—Ni1—N1—C1 | 15.2 (3) | N6'—Ni1—N3'—C3 | −97.2 (11) |
N6—Ni1—N1—C1 | −77.9 (3) | N4'—Ni1—N3'—C3 | −7.6 (10) |
N3—Ni1—N1—C1 | 107.9 (3) | C3—C4—N4'—Ni1 | 55.4 (8) |
N4—Ni1—N1—C1 | −169.1 (3) | N4—C4—N4'—Ni1 | −48.5 (5) |
N3'—Ni1—N1—C1 | 125.6 (7) | N1'—Ni1—N4'—C4 | 162.3 (10) |
N2'—Ni1—N1—C1 | 54.1 (6) | N2—Ni1—N4'—C4 | −136.0 (6) |
N6'—Ni1—N1—C1 | −121.2 (6) | N6—Ni1—N4'—C4 | 108.2 (8) |
N4'—Ni1—N1—C1 | 163.9 (7) | N3—Ni1—N4'—C4 | −61.0 (8) |
C1—C2—N2—Ni1 | −42.7 (4) | N4—Ni1—N4'—C4 | 43.5 (6) |
N2'—C2—N2—Ni1 | 56.1 (8) | N3'—Ni1—N4'—C4 | −26.2 (9) |
N5'—Ni1—N2—C2 | 166.2 (5) | N1—Ni1—N4'—C4 | −176.0 (12) |
N1'—Ni1—N2—C2 | 56.0 (6) | N5—Ni1—N4'—C4 | 5.6 (13) |
N6—Ni1—N2—C2 | 108.4 (3) | N2'—Ni1—N4'—C4 | −115.2 (10) |
N3—Ni1—N2—C2 | −78.7 (3) | N6'—Ni1—N4'—C4 | 68.8 (10) |
N3'—Ni1—N2—C2 | −111.3 (6) | N5'—C5—N5—Ni1 | 51.8 (8) |
N1—Ni1—N2—C2 | 15.0 (3) | C6—C5—N5—Ni1 | −40.4 (4) |
N5—Ni1—N2—C2 | −170.0 (3) | N5'—Ni1—N5—C5 | −48.3 (7) |
N2'—Ni1—N2—C2 | −50.5 (8) | N1'—Ni1—N5—C5 | −20.9 (8) |
N6'—Ni1—N2—C2 | 126.0 (7) | N2—Ni1—N5—C5 | −82.3 (3) |
N4'—Ni1—N2—C2 | −16.7 (7) | N6—Ni1—N5—C5 | 11.0 (3) |
N1—C1—N1'—Ni1 | −53.6 (6) | N3—Ni1—N5—C5 | −175.6 (3) |
C2—C1—N1'—Ni1 | 49.7 (9) | N4—Ni1—N5—C5 | 101.4 (3) |
N5'—Ni1—N1'—C1 | −112.4 (10) | N3'—Ni1—N5—C5 | 164.4 (7) |
N2—Ni1—N1'—C1 | −57.1 (8) | N2'—Ni1—N5—C5 | −118.7 (6) |
N6—Ni1—N1'—C1 | −167.6 (12) | N6'—Ni1—N5—C5 | 56.5 (6) |
N3—Ni1—N1'—C1 | 15.6 (14) | N4'—Ni1—N5—C5 | 127.4 (7) |
N4—Ni1—N1'—C1 | 114.9 (9) | C5—C6—N6—Ni1 | −47.0 (4) |
N3'—Ni1—N1'—C1 | 28 (4) | N6'—C6—N6—Ni1 | 54.3 (7) |
N1—Ni1—N1'—C1 | 46.5 (7) | N5'—Ni1—N6—C6 | 56.5 (5) |
N5—Ni1—N1'—C1 | −129.3 (7) | N1'—Ni1—N6—C6 | 171.6 (7) |
N2'—Ni1—N1'—C1 | −18.9 (10) | N2—Ni1—N6—C6 | 111.6 (3) |
N6'—Ni1—N1'—C1 | 163.5 (10) | N4—Ni1—N6—C6 | −74.5 (3) |
N4'—Ni1—N1'—C1 | 73.1 (10) | N3'—Ni1—N6—C6 | −12.7 (8) |
N2—C2—N2'—Ni1 | −53.3 (6) | N1—Ni1—N6—C6 | −166.4 (3) |
C1—C2—N2'—Ni1 | 47.8 (9) | N5—Ni1—N6—C6 | 19.9 (3) |
N5'—Ni1—N2'—C2 | 79.7 (10) | N2'—Ni1—N6—C6 | 129.2 (7) |
N1'—Ni1—N2'—C2 | −14.9 (10) | N6'—Ni1—N6—C6 | −51.3 (7) |
N2—Ni1—N2'—C2 | 48.1 (7) | N4'—Ni1—N6—C6 | −114.6 (5) |
N6—Ni1—N2'—C2 | 20.1 (13) | N5—C5—N5'—Ni1 | −56.1 (6) |
N3—Ni1—N2'—C2 | −165.5 (12) | C6—C5—N5'—Ni1 | 48.8 (8) |
N4—Ni1—N2'—C2 | −126.3 (8) | N1'—Ni1—N5'—C5 | −109.8 (9) |
N3'—Ni1—N2'—C2 | 173.6 (11) | N2—Ni1—N5'—C5 | −170.1 (10) |
N1—Ni1—N2'—C2 | −55.8 (8) | N6—Ni1—N5'—C5 | −59.8 (7) |
N5—Ni1—N2'—C2 | 116.0 (9) | N3—Ni1—N5'—C5 | 109.7 (7) |
N4'—Ni1—N2'—C2 | −105.4 (10) | N4—Ni1—N5'—C5 | 10.8 (11) |
N3'—C3—N3—Ni1 | 59.4 (8) | N3'—Ni1—N5'—C5 | 77.7 (9) |
C4—C3—N3—Ni1 | −40.2 (4) | N1—Ni1—N5'—C5 | −129.2 (7) |
N5'—Ni1—N3—C3 | −116.2 (5) | N5—Ni1—N5'—C5 | 49.8 (6) |
N1'—Ni1—N3—C3 | 122.4 (8) | N2'—Ni1—N5'—C5 | 167.3 (9) |
N2—Ni1—N3—C3 | −175.7 (3) | N6'—Ni1—N5'—C5 | −16.8 (9) |
N4—Ni1—N3—C3 | 11.0 (3) | N6—C6—N6'—Ni1 | −50.4 (5) |
N3'—Ni1—N3—C3 | −53.4 (8) | C5—C6—N6'—Ni1 | 49.5 (8) |
N1—Ni1—N3—C3 | 102.3 (3) | N5'—Ni1—N6'—C6 | −16.8 (8) |
N5—Ni1—N3—C3 | −83.4 (3) | N1'—Ni1—N6'—C6 | 78.0 (9) |
N2'—Ni1—N3—C3 | 163.5 (7) | N2—Ni1—N6'—C6 | 17.8 (12) |
N6'—Ni1—N3—C3 | −16.6 (6) | N6—Ni1—N6'—C6 | 42.9 (5) |
N4'—Ni1—N3—C3 | 55.0 (5) | N3—Ni1—N6'—C6 | −131.2 (6) |
C3—C4—N4—Ni1 | −46.5 (4) | N4—Ni1—N6'—C6 | −167.9 (11) |
N4'—C4—N4—Ni1 | 51.9 (8) | N3'—Ni1—N6'—C6 | −110.3 (9) |
N5'—Ni1—N4—C4 | 132.9 (6) | N1—Ni1—N6'—C6 | 117.4 (7) |
N1'—Ni1—N4—C4 | −113.4 (6) | N5—Ni1—N6'—C6 | −54.4 (6) |
N6—Ni1—N4—C4 | −168.8 (3) | N4'—Ni1—N6'—C6 | 168.8 (9) |
N3—Ni1—N4—C4 | 19.0 (3) | Sn1i—Se2—Sn1—Se1 | −115.771 (17) |
N3'—Ni1—N4—C4 | 53.9 (6) | Sn1i—Se2—Sn1—Se3 | 116.638 (17) |
N1—Ni1—N4—C4 | −75.0 (3) | Sn1i—Se2—Sn1—Se2i | 0.0 |
Symmetry code: (i) −x+1, −y, −z. |