Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805008159/hb6163sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805008159/hb6163Isup2.hkl |
CCDC reference: 270331
Data collection: XSCANS (Bruker, 1996); cell refinement: XSCANS; data reduction: SHELXTL (Bruker, 1997); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
(C8H20N)2[Cu(C3S5)2] | F(000) = 1500 |
Mr = 716.70 | Dx = 1.455 Mg m−3 |
Monoclinic, Cc | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: C -2yc | Cell parameters from 36 reflections |
a = 26.880 (4) Å | θ = 10.3–12.5° |
b = 8.0090 (11) Å | µ = 1.32 mm−1 |
c = 18.294 (3) Å | T = 293 K |
β = 123.836 (8)° | Plate, black |
V = 3271.4 (8) Å3 | 0.43 × 0.41 × 0.02 mm |
Z = 4 |
Bruker P4 diffractometer | 2119 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.060 |
Graphite monochromator | θmax = 27.0°, θmin = 2.3° |
ω scans | h = −1→34 |
Absorption correction: ψ scan (XSCANS; Bruker, 1996) | k = −1→10 |
Tmin = 0.50, Tmax = 0.97 | l = −23→19 |
4357 measured reflections | 3 standard reflections every 97 reflections |
3797 independent reflections | intensity decay: none |
Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.051 | w = 1/[σ2(Fo2) + (0.0434P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.118 | (Δ/σ)max < 0.001 |
S = 0.95 | Δρmax = 0.37 e Å−3 |
3797 reflections | Δρmin = −0.38 e Å−3 |
325 parameters | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
14 restraints | Extinction coefficient: 0.00184 (14) |
Primary atom site location: structure-invariant direct methods | Absolute structure: Flack (1983), 232 Friedel pairs |
Secondary atom site location: difference Fourier map | Absolute structure parameter: −0.01 (2) |
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 | ||
C1 | 0.6834 (4) | −0.2494 (13) | 0.5018 (6) | 0.053 (2) | |
C2 | 0.7324 (5) | 0.0068 (12) | 0.4749 (7) | 0.053 (3) | |
C3 | 0.7692 (5) | −0.1227 (12) | 0.4898 (6) | 0.052 (3) | |
C4 | 0.9375 (4) | 0.3520 (12) | 0.4757 (6) | 0.044 (2) | |
C5 | 0.9223 (4) | 0.4637 (11) | 0.5162 (5) | 0.042 (2) | |
C6 | 1.0067 (4) | 0.6065 (14) | 0.5062 (6) | 0.061 (3) | |
C7 | 0.7412 (6) | 0.2230 (15) | 0.6821 (8) | 0.079 (4) | |
H7A | 0.7433 | 0.1740 | 0.6354 | 0.095* | |
H7B | 0.7085 | 0.3028 | 0.6550 | 0.095* | |
C8 | 0.7255 (7) | 0.0850 (16) | 0.7233 (10) | 0.107 (5) | |
H8A | 0.6865 | 0.0417 | 0.6803 | 0.161* | |
H8B | 0.7256 | 0.1294 | 0.7722 | 0.161* | |
H8C | 0.7545 | −0.0030 | 0.7435 | 0.161* | |
C9 | 0.7957 (5) | 0.4116 (15) | 0.8105 (7) | 0.074 (3) | |
H9A | 0.8341 | 0.4655 | 0.8490 | 0.089* | |
H9B | 0.7904 | 0.3325 | 0.8459 | 0.089* | |
C10 | 0.7472 (6) | 0.5433 (16) | 0.7770 (9) | 0.089 (4) | |
H10A | 0.7434 | 0.5779 | 0.8240 | 0.133* | |
H10B | 0.7098 | 0.4978 | 0.7299 | 0.133* | |
H10C | 0.7576 | 0.6378 | 0.7559 | 0.133* | |
C11 | 0.8503 (6) | 0.1996 (17) | 0.7910 (8) | 0.091 (4) | |
H11A | 0.8450 | 0.1290 | 0.8292 | 0.109* | |
H11B | 0.8864 | 0.2648 | 0.8278 | 0.109* | |
C12 | 0.8582 (7) | 0.0884 (18) | 0.7295 (10) | 0.113 (5) | |
H12A | 0.8910 | 0.0129 | 0.7640 | 0.170* | |
H12B | 0.8664 | 0.1572 | 0.6944 | 0.170* | |
H12C | 0.8222 | 0.0258 | 0.6917 | 0.170* | |
C13 | 0.8046 (4) | 0.4336 (13) | 0.6831 (6) | 0.060 (3) | |
H13A | 0.8077 | 0.3677 | 0.6412 | 0.072* | |
H13B | 0.7687 | 0.5011 | 0.6499 | 0.072* | |
C14 | 0.8582 (5) | 0.5487 (15) | 0.7310 (8) | 0.078 (4) | |
H14A | 0.8611 | 0.6119 | 0.6889 | 0.118* | |
H14B | 0.8940 | 0.4837 | 0.7667 | 0.118* | |
H14C | 0.8536 | 0.6235 | 0.7678 | 0.118* | |
C15 | 0.9990 (5) | 0.0007 (18) | 0.7083 (9) | 0.093 (5) | |
H15A | 0.9948 | −0.0707 | 0.6623 | 0.111* | |
H15B | 0.9659 | 0.0791 | 0.6808 | 0.111* | |
C16 | 0.9943 (7) | −0.1066 (18) | 0.7726 (11) | 0.115 (5) | |
H16A | 0.9590 | −0.1748 | 0.7408 | 0.172* | |
H16B | 0.9919 | −0.0360 | 0.8130 | 0.172* | |
H16C | 1.0290 | −0.1769 | 0.8047 | 0.172* | |
C17 | 1.0623 (5) | 0.2250 (13) | 0.8132 (6) | 0.060 (3) | |
H17A | 1.1012 | 0.2781 | 0.8408 | 0.073* | |
H17B | 1.0612 | 0.1677 | 0.8590 | 0.073* | |
C18 | 1.0149 (6) | 0.3593 (16) | 0.7749 (10) | 0.106 (5) | |
H18A | 1.0227 | 0.4362 | 0.8204 | 0.159* | |
H18B | 0.9762 | 0.3093 | 0.7502 | 0.159* | |
H18C | 1.0156 | 0.4179 | 0.7296 | 0.159* | |
C19 | 1.1107 (5) | −0.0189 (14) | 0.8000 (7) | 0.060 (3) | |
H19A | 1.1466 | 0.0466 | 0.8211 | 0.072* | |
H19B | 1.1123 | −0.0595 | 0.8512 | 0.072* | |
C20 | 1.1123 (6) | −0.1664 (16) | 0.7511 (9) | 0.102 (5) | |
H20A | 1.1457 | −0.2361 | 0.7908 | 0.154* | |
H20B | 1.1162 | −0.1287 | 0.7047 | 0.154* | |
H20C | 1.0758 | −0.2289 | 0.7263 | 0.154* | |
C21 | 1.0563 (6) | 0.1830 (15) | 0.6724 (7) | 0.081 (4) | |
H21A | 1.0574 | 0.0975 | 0.6358 | 0.097* | |
H21B | 1.0191 | 0.2440 | 0.6364 | 0.097* | |
C22 | 1.1083 (7) | 0.3030 (16) | 0.7026 (10) | 0.105 (5) | |
H22A | 1.1110 | 0.3298 | 0.6537 | 0.158* | |
H22B | 1.1449 | 0.2514 | 0.7482 | 0.158* | |
H22C | 1.1017 | 0.4033 | 0.7248 | 0.158* | |
N1 | 0.7977 (4) | 0.3159 (10) | 0.7416 (5) | 0.053 (2) | |
N2 | 1.0567 (4) | 0.0970 (11) | 0.7488 (5) | 0.059 (2) | |
S1 | 0.64091 (14) | −0.3720 (4) | 0.5184 (2) | 0.0739 (9) | |
S2 | 0.67048 (13) | −0.0389 (4) | 0.4788 (2) | 0.0637 (7) | |
S3 | 0.74482 (12) | −0.3173 (3) | 0.50325 (18) | 0.0589 (7) | |
S4 | 0.74722 (12) | 0.2118 (3) | 0.4620 (2) | 0.0612 (7) | |
S5 | 0.83679 (13) | −0.1080 (3) | 0.49924 (19) | 0.0586 (7) | |
S6 | 0.90315 (13) | 0.1579 (3) | 0.43952 (19) | 0.0615 (7) | |
S7 | 0.87215 (12) | 0.4287 (3) | 0.54429 (18) | 0.0572 (7) | |
S8 | 0.99263 (12) | 0.4123 (4) | 0.45915 (18) | 0.0631 (8) | |
S9 | 0.96196 (12) | 0.6522 (4) | 0.54297 (18) | 0.0624 (7) | |
S10 | 1.05620 (15) | 0.7410 (5) | 0.5117 (2) | 0.0915 (11) | |
Cu1 | 0.83932 (5) | 0.17145 (14) | 0.48493 (6) | 0.0507 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.055 (6) | 0.048 (5) | 0.051 (6) | −0.009 (5) | 0.026 (5) | 0.001 (5) |
C2 | 0.050 (6) | 0.044 (6) | 0.058 (6) | −0.006 (5) | 0.025 (5) | 0.000 (5) |
C3 | 0.061 (6) | 0.044 (6) | 0.058 (6) | −0.010 (5) | 0.036 (6) | −0.001 (5) |
C4 | 0.047 (5) | 0.041 (5) | 0.041 (5) | −0.002 (5) | 0.023 (5) | −0.002 (4) |
C5 | 0.034 (5) | 0.043 (5) | 0.033 (5) | −0.002 (5) | 0.008 (4) | 0.006 (4) |
C6 | 0.051 (7) | 0.071 (8) | 0.049 (6) | −0.013 (6) | 0.020 (6) | −0.001 (6) |
C7 | 0.102 (10) | 0.074 (8) | 0.076 (8) | −0.001 (8) | 0.060 (8) | 0.000 (7) |
C8 | 0.136 (14) | 0.075 (9) | 0.138 (13) | −0.019 (10) | 0.093 (12) | 0.001 (9) |
C9 | 0.068 (8) | 0.096 (9) | 0.060 (7) | −0.014 (7) | 0.037 (6) | −0.019 (7) |
C10 | 0.087 (9) | 0.095 (10) | 0.098 (9) | −0.001 (9) | 0.061 (8) | −0.017 (8) |
C11 | 0.088 (9) | 0.116 (11) | 0.076 (8) | 0.060 (9) | 0.050 (7) | 0.045 (8) |
C12 | 0.123 (9) | 0.105 (8) | 0.125 (9) | 0.041 (7) | 0.077 (7) | 0.014 (7) |
C13 | 0.056 (7) | 0.066 (7) | 0.047 (6) | 0.008 (6) | 0.023 (5) | 0.003 (5) |
C14 | 0.078 (9) | 0.086 (9) | 0.072 (8) | −0.008 (8) | 0.042 (7) | −0.002 (7) |
C15 | 0.050 (7) | 0.094 (10) | 0.085 (9) | 0.008 (8) | 0.008 (7) | −0.026 (8) |
C16 | 0.092 (8) | 0.106 (8) | 0.146 (10) | −0.012 (7) | 0.067 (7) | 0.012 (7) |
C17 | 0.063 (7) | 0.062 (7) | 0.053 (6) | 0.004 (6) | 0.030 (6) | −0.007 (5) |
C18 | 0.092 (10) | 0.086 (10) | 0.116 (12) | 0.025 (8) | 0.044 (10) | −0.016 (9) |
C19 | 0.051 (6) | 0.061 (7) | 0.058 (6) | 0.006 (6) | 0.023 (6) | 0.003 (6) |
C20 | 0.075 (9) | 0.091 (11) | 0.114 (11) | 0.013 (8) | 0.036 (8) | −0.023 (9) |
C21 | 0.085 (9) | 0.084 (9) | 0.053 (6) | 0.029 (8) | 0.025 (6) | 0.028 (7) |
C22 | 0.118 (12) | 0.100 (12) | 0.118 (11) | 0.005 (10) | 0.078 (10) | 0.033 (9) |
N1 | 0.047 (5) | 0.058 (5) | 0.051 (4) | 0.015 (5) | 0.024 (4) | 0.005 (5) |
N2 | 0.046 (5) | 0.062 (6) | 0.045 (4) | 0.013 (5) | 0.011 (4) | −0.002 (5) |
S1 | 0.072 (2) | 0.073 (2) | 0.083 (2) | −0.0134 (17) | 0.0473 (18) | 0.0065 (17) |
S2 | 0.0545 (16) | 0.0547 (16) | 0.0771 (18) | 0.0008 (15) | 0.0336 (15) | 0.0046 (17) |
S3 | 0.0602 (17) | 0.0401 (14) | 0.0748 (19) | 0.0004 (14) | 0.0365 (15) | 0.0093 (14) |
S4 | 0.0534 (16) | 0.0411 (15) | 0.0809 (19) | 0.0038 (13) | 0.0324 (15) | 0.0080 (14) |
S5 | 0.0653 (17) | 0.0386 (12) | 0.081 (2) | 0.0045 (14) | 0.0463 (16) | 0.0055 (14) |
S6 | 0.076 (2) | 0.0484 (15) | 0.0716 (18) | −0.0095 (15) | 0.0480 (17) | −0.0126 (14) |
S7 | 0.0607 (16) | 0.0487 (16) | 0.0685 (16) | −0.0138 (14) | 0.0398 (15) | −0.0142 (14) |
S8 | 0.0596 (17) | 0.0710 (19) | 0.0632 (17) | −0.0045 (15) | 0.0370 (15) | −0.0041 (15) |
S9 | 0.0614 (17) | 0.0583 (18) | 0.0699 (17) | −0.0186 (15) | 0.0381 (15) | −0.0160 (15) |
S10 | 0.087 (3) | 0.109 (3) | 0.090 (2) | −0.043 (2) | 0.056 (2) | −0.018 (2) |
Cu1 | 0.0531 (7) | 0.0400 (6) | 0.0526 (7) | −0.0053 (7) | 0.0256 (7) | −0.0014 (7) |
C1—S1 | 1.658 (10) | C13—N1 | 1.514 (12) |
C1—S3 | 1.724 (10) | C13—H13A | 0.9700 |
C1—S2 | 1.725 (10) | C13—H13B | 0.9700 |
C2—C3 | 1.353 (12) | C14—H14A | 0.9600 |
C2—S4 | 1.736 (10) | C14—H14B | 0.9600 |
C2—S2 | 1.744 (11) | C14—H14C | 0.9600 |
C3—S5 | 1.730 (10) | C15—N2 | 1.506 (15) |
C3—S3 | 1.761 (10) | C15—C16 | 1.519 (18) |
C4—C5 | 1.360 (12) | C15—H15A | 0.9700 |
C4—S8 | 1.738 (9) | C15—H15B | 0.9700 |
C4—S6 | 1.740 (9) | C16—H16A | 0.9600 |
C5—S7 | 1.713 (10) | C16—H16B | 0.9600 |
C5—S9 | 1.754 (9) | C16—H16C | 0.9600 |
C6—S10 | 1.672 (10) | C17—N2 | 1.505 (12) |
C6—S9 | 1.711 (10) | C17—C18 | 1.509 (14) |
C6—S8 | 1.715 (11) | C17—H17A | 0.9700 |
C7—N1 | 1.485 (14) | C17—H17B | 0.9700 |
C7—C8 | 1.523 (16) | C18—H18A | 0.9600 |
C7—H7A | 0.9700 | C18—H18B | 0.9600 |
C7—H7B | 0.9700 | C18—H18C | 0.9600 |
C8—H8A | 0.9600 | C19—C20 | 1.497 (15) |
C8—H8B | 0.9600 | C19—N2 | 1.527 (13) |
C8—H8C | 0.9600 | C19—H19A | 0.9700 |
C9—N1 | 1.503 (13) | C19—H19B | 0.9700 |
C9—C10 | 1.516 (15) | C20—H20A | 0.9600 |
C9—H9A | 0.9700 | C20—H20B | 0.9600 |
C9—H9B | 0.9700 | C20—H20C | 0.9600 |
C10—H10A | 0.9600 | C21—C22 | 1.524 (17) |
C10—H10B | 0.9600 | C21—N2 | 1.553 (13) |
C10—H10C | 0.9600 | C21—H21A | 0.9700 |
C11—N1 | 1.504 (13) | C21—H21B | 0.9700 |
C11—C12 | 1.539 (16) | C22—H22A | 0.9600 |
C11—H11A | 0.9700 | C22—H22B | 0.9600 |
C11—H11B | 0.9700 | C22—H22C | 0.9600 |
C12—H12A | 0.9600 | S4—Cu1 | 2.292 (3) |
C12—H12B | 0.9600 | S5—Cu1 | 2.259 (3) |
C12—H12C | 0.9600 | S6—Cu1 | 2.288 (3) |
C13—C14 | 1.512 (14) | S7—Cu1 | 2.266 (3) |
S1—C1—S3 | 124.2 (6) | C16—C15—H15B | 108.6 |
S1—C1—S2 | 123.9 (6) | H15A—C15—H15B | 107.6 |
S3—C1—S2 | 111.9 (5) | C15—C16—H16A | 109.5 |
C3—C2—S4 | 123.7 (7) | C15—C16—H16B | 109.5 |
C3—C2—S2 | 116.0 (7) | H16A—C16—H16B | 109.5 |
S4—C2—S2 | 120.1 (6) | C15—C16—H16C | 109.5 |
C2—C3—S5 | 125.3 (7) | H16A—C16—H16C | 109.5 |
C2—C3—S3 | 114.8 (7) | H16B—C16—H16C | 109.5 |
S5—C3—S3 | 119.8 (6) | N2—C17—C18 | 115.6 (9) |
C5—C4—S8 | 117.1 (7) | N2—C17—H17A | 108.4 |
C5—C4—S6 | 122.5 (7) | C18—C17—H17A | 108.4 |
S8—C4—S6 | 120.4 (6) | N2—C17—H17B | 108.4 |
C4—C5—S7 | 125.5 (7) | C18—C17—H17B | 108.4 |
C4—C5—S9 | 113.5 (7) | H17A—C17—H17B | 107.5 |
S7—C5—S9 | 120.9 (6) | C17—C18—H18A | 109.5 |
S10—C6—S9 | 123.3 (7) | C17—C18—H18B | 109.5 |
S10—C6—S8 | 124.0 (6) | H18A—C18—H18B | 109.5 |
S9—C6—S8 | 112.6 (6) | C17—C18—H18C | 109.5 |
N1—C7—C8 | 117.0 (11) | H18A—C18—H18C | 109.5 |
N1—C7—H7A | 108.1 | H18B—C18—H18C | 109.5 |
C8—C7—H7A | 108.1 | C20—C19—N2 | 116.5 (9) |
N1—C7—H7B | 108.1 | C20—C19—H19A | 108.2 |
C8—C7—H7B | 108.1 | N2—C19—H19A | 108.2 |
H7A—C7—H7B | 107.3 | C20—C19—H19B | 108.2 |
C7—C8—H8A | 109.5 | N2—C19—H19B | 108.2 |
C7—C8—H8B | 109.5 | H19A—C19—H19B | 107.3 |
H8A—C8—H8B | 109.5 | C19—C20—H20A | 109.5 |
C7—C8—H8C | 109.5 | C19—C20—H20B | 109.5 |
H8A—C8—H8C | 109.5 | H20A—C20—H20B | 109.5 |
H8B—C8—H8C | 109.5 | C19—C20—H20C | 109.5 |
N1—C9—C10 | 116.1 (9) | H20A—C20—H20C | 109.5 |
N1—C9—H9A | 108.3 | H20B—C20—H20C | 109.5 |
C10—C9—H9A | 108.3 | C22—C21—N2 | 114.2 (9) |
N1—C9—H9B | 108.3 | C22—C21—H21A | 108.7 |
C10—C9—H9B | 108.3 | N2—C21—H21A | 108.7 |
H9A—C9—H9B | 107.4 | C22—C21—H21B | 108.7 |
C9—C10—H10A | 109.5 | N2—C21—H21B | 108.7 |
C9—C10—H10B | 109.5 | H21A—C21—H21B | 107.6 |
H10A—C10—H10B | 109.5 | C21—C22—H22A | 109.5 |
C9—C10—H10C | 109.5 | C21—C22—H22B | 109.5 |
H10A—C10—H10C | 109.5 | H22A—C22—H22B | 109.5 |
H10B—C10—H10C | 109.5 | C21—C22—H22C | 109.5 |
N1—C11—C12 | 112.7 (10) | H22A—C22—H22C | 109.5 |
N1—C11—H11A | 109.1 | H22B—C22—H22C | 109.5 |
C12—C11—H11A | 109.1 | C7—N1—C9 | 111.7 (8) |
N1—C11—H11B | 109.1 | C7—N1—C11 | 111.5 (9) |
C12—C11—H11B | 109.1 | C9—N1—C11 | 105.9 (8) |
H11A—C11—H11B | 107.8 | C7—N1—C13 | 105.9 (8) |
C11—C12—H12A | 109.5 | C9—N1—C13 | 110.6 (8) |
C11—C12—H12B | 109.5 | C11—N1—C13 | 111.4 (8) |
H12A—C12—H12B | 109.5 | C17—N2—C15 | 111.2 (9) |
C11—C12—H12C | 109.5 | C17—N2—C19 | 106.7 (7) |
H12A—C12—H12C | 109.5 | C15—N2—C19 | 111.0 (9) |
H12B—C12—H12C | 109.5 | C17—N2—C21 | 110.5 (8) |
C14—C13—N1 | 115.0 (9) | C15—N2—C21 | 107.2 (9) |
C14—C13—H13A | 108.5 | C19—N2—C21 | 110.4 (8) |
N1—C13—H13A | 108.5 | C1—S2—C2 | 98.5 (5) |
C14—C13—H13B | 108.5 | C1—S3—C3 | 98.4 (5) |
N1—C13—H13B | 108.5 | C2—S4—Cu1 | 98.5 (4) |
H13A—C13—H13B | 107.5 | C3—S5—Cu1 | 98.8 (4) |
C13—C14—H14A | 109.5 | C4—S6—Cu1 | 99.6 (3) |
C13—C14—H14B | 109.5 | C5—S7—Cu1 | 99.6 (3) |
H14A—C14—H14B | 109.5 | C6—S8—C4 | 97.8 (5) |
C13—C14—H14C | 109.5 | C6—S9—C5 | 99.0 (5) |
H14A—C14—H14C | 109.5 | S5—Cu1—S7 | 150.94 (12) |
H14B—C14—H14C | 109.5 | S5—Cu1—S6 | 94.14 (10) |
N2—C15—C16 | 114.6 (10) | S7—Cu1—S6 | 92.66 (10) |
N2—C15—H15A | 108.6 | S5—Cu1—S4 | 93.53 (10) |
C16—C15—H15A | 108.6 | S7—Cu1—S4 | 93.00 (10) |
N2—C15—H15B | 108.6 | S6—Cu1—S4 | 153.19 (11) |
S4—C2—C3—S5 | 0.4 (13) | C3—C2—S2—C1 | −0.2 (9) |
S2—C2—C3—S5 | −174.0 (6) | S4—C2—S2—C1 | −174.8 (6) |
S4—C2—C3—S3 | 178.4 (6) | S1—C1—S3—C3 | −175.7 (7) |
S2—C2—C3—S3 | 4.1 (10) | S2—C1—S3—C3 | 5.4 (6) |
S8—C4—C5—S7 | −176.6 (5) | C2—C3—S3—C1 | −5.8 (9) |
S6—C4—C5—S7 | 4.6 (11) | S5—C3—S3—C1 | 172.3 (6) |
S8—C4—C5—S9 | 0.7 (9) | C3—C2—S4—Cu1 | −2.6 (9) |
S6—C4—C5—S9 | −178.1 (5) | S2—C2—S4—Cu1 | 171.6 (5) |
C8—C7—N1—C9 | −64.1 (13) | C2—C3—S5—Cu1 | 2.1 (9) |
C8—C7—N1—C11 | 54.1 (13) | S3—C3—S5—Cu1 | −175.9 (5) |
C8—C7—N1—C13 | 175.4 (10) | C5—C4—S6—Cu1 | −1.6 (8) |
C10—C9—N1—C7 | −60.6 (13) | S8—C4—S6—Cu1 | 179.6 (5) |
C10—C9—N1—C11 | 177.8 (10) | C4—C5—S7—Cu1 | −4.5 (8) |
C10—C9—N1—C13 | 57.0 (12) | S9—C5—S7—Cu1 | 178.3 (4) |
C12—C11—N1—C7 | 57.2 (14) | S10—C6—S8—C4 | −178.8 (7) |
C12—C11—N1—C9 | 178.9 (10) | S9—C6—S8—C4 | −1.5 (6) |
C12—C11—N1—C13 | −60.8 (13) | C5—C4—S8—C6 | 0.5 (8) |
C14—C13—N1—C7 | 176.8 (9) | S6—C4—S8—C6 | 179.3 (6) |
C14—C13—N1—C9 | 55.6 (11) | S10—C6—S9—C5 | 179.2 (6) |
C14—C13—N1—C11 | −61.8 (12) | S8—C6—S9—C5 | 1.8 (6) |
C18—C17—N2—C15 | −62.3 (13) | C4—C5—S9—C6 | −1.6 (7) |
C18—C17—N2—C19 | 176.6 (10) | S7—C5—S9—C6 | 175.9 (6) |
C18—C17—N2—C21 | 56.5 (13) | C3—S5—Cu1—S7 | 99.9 (4) |
C16—C15—N2—C17 | −65.2 (14) | C3—S5—Cu1—S6 | −157.0 (4) |
C16—C15—N2—C19 | 53.4 (14) | C3—S5—Cu1—S4 | −2.7 (4) |
C16—C15—N2—C21 | 174.0 (11) | C5—S7—Cu1—S5 | 105.9 (3) |
C20—C19—N2—C17 | 174.9 (10) | C5—S7—Cu1—S6 | 2.4 (3) |
C20—C19—N2—C15 | 53.7 (13) | C5—S7—Cu1—S4 | −151.4 (3) |
C20—C19—N2—C21 | −65.0 (13) | C4—S6—Cu1—S5 | −152.6 (3) |
C22—C21—N2—C17 | 51.9 (13) | C4—S6—Cu1—S7 | −0.9 (3) |
C22—C21—N2—C15 | 173.1 (10) | C4—S6—Cu1—S4 | 101.2 (4) |
C22—C21—N2—C19 | −65.9 (12) | C2—S4—Cu1—S5 | 2.9 (4) |
S1—C1—S2—C2 | 177.5 (7) | C2—S4—Cu1—S7 | −148.8 (4) |
S3—C1—S2—C2 | −3.7 (6) | C2—S4—Cu1—S6 | 109.3 (4) |