Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804029277/sj6018sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804029277/sj6018Isup2.hkl |
CCDC reference: 258695
Data collection: XSCANS (Bruker,1996); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SIR92 (Altomare,1993); program(s) used to refine structure: SHELXTL (Bruker, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: WinGX (Farrugia,1999).
(C8H20N)[Cd(C3S5)2] | F(000) = 1576 |
Mr = 765.56 | Dx = 1.488 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 35 reflections |
a = 9.9739 (14) Å | θ = 5.3–12.5° |
b = 20.116 (2) Å | µ = 1.27 mm−1 |
c = 17.033 (4) Å | T = 293 K |
β = 90.860 (16)° | Prism, dark red |
V = 3417 (1) Å3 | 0.42 × 0.40 × 0.38 mm |
Z = 4 |
Bruker P4 diffractometer | 4621 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.020 |
Graphite monochromator | θmax = 25.0°, θmin = 2.0° |
ω scans | h = −11→1 |
Absorption correction: empirical (using intensity measurements) (XSCANS; Bruker, 1996) | k = −23→1 |
Tmin = 0.573, Tmax = 0.620 | l = −20→20 |
7577 measured reflections | 3 standard reflections every 97 reflections |
6020 independent reflections | intensity decay: 0.1% |
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)] = 0.038 | H-atom parameters constrained |
wR(F2) = 0.095 | w = 1/[σ2(Fo2) + (0.0398P)2 + 3.2613P] where P = (Fo2 + 2Fc2)/3 |
S = 1.02 | (Δ/σ)max = 0.002 |
6017 reflections | Δρmax = 0.83 e Å−3 |
317 parameters | Δρmin = −0.37 e Å−3 |
6 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0063 (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 | ||
C1 | 0.8452 (4) | 0.5165 (2) | 0.6067 (2) | 0.0543 (10) | |
C2 | 0.7130 (4) | 0.62379 (18) | 0.6503 (2) | 0.0483 (9) | |
C3 | 0.6748 (4) | 0.61348 (19) | 0.5750 (2) | 0.0471 (9) | |
C4 | 0.3269 (4) | 0.87814 (18) | 0.5993 (2) | 0.0436 (9) | |
C5 | 0.2568 (4) | 0.84172 (19) | 0.6517 (2) | 0.0492 (9) | |
C6 | 0.1046 (4) | 0.9454 (2) | 0.6225 (2) | 0.0544 (10) | |
C7 | 0.4650 (7) | 0.5224 (3) | 0.7824 (3) | 0.111 (2) | |
H7A | 0.5352 | 0.4939 | 0.8035 | 0.134* | |
H7B | 0.5085 | 0.5573 | 0.7529 | 0.134* | |
C8 | 0.3968 (8) | 0.5534 (4) | 0.8485 (4) | 0.153 (3) | |
H8A | 0.4608 | 0.5774 | 0.8802 | 0.230* | |
H8B | 0.3553 | 0.5196 | 0.8797 | 0.230* | |
H8C | 0.3294 | 0.5835 | 0.8290 | 0.230* | |
C9 | 0.2632 (5) | 0.5191 (3) | 0.6954 (3) | 0.0856 (15) | |
H9A | 0.2138 | 0.4895 | 0.6606 | 0.103* | |
H9B | 0.2058 | 0.5288 | 0.7394 | 0.103* | |
C10 | 0.2859 (6) | 0.5818 (3) | 0.6528 (4) | 0.103 (2) | |
H10A | 0.2012 | 0.6002 | 0.6363 | 0.155* | |
H10B | 0.3396 | 0.5733 | 0.6076 | 0.155* | |
H10C | 0.3315 | 0.6127 | 0.6868 | 0.155* | |
C11 | 0.3300 (6) | 0.4212 (3) | 0.7702 (3) | 0.0955 (17) | |
H11A | 0.4054 | 0.4001 | 0.7968 | 0.115* | |
H11B | 0.2694 | 0.4366 | 0.8103 | 0.115* | |
C12 | 0.2586 (6) | 0.3695 (3) | 0.7221 (4) | 0.112 (2) | |
H12A | 0.2308 | 0.3338 | 0.7555 | 0.168* | |
H12B | 0.3179 | 0.3525 | 0.6829 | 0.168* | |
H12C | 0.1813 | 0.3889 | 0.6969 | 0.168* | |
C13 | 0.4683 (5) | 0.4611 (3) | 0.6582 (3) | 0.0819 (15) | |
H13A | 0.4103 | 0.4409 | 0.6187 | 0.098* | |
H13B | 0.5067 | 0.5007 | 0.6351 | 0.098* | |
C14 | 0.5792 (5) | 0.4140 (3) | 0.6761 (3) | 0.0871 (16) | |
H14A | 0.6267 | 0.4043 | 0.6289 | 0.131* | |
H14B | 0.5429 | 0.3736 | 0.6970 | 0.131* | |
H14C | 0.6395 | 0.4335 | 0.7140 | 0.131* | |
C15 | 0.1583 (4) | 0.7836 (2) | 0.4547 (2) | 0.0612 (11) | |
H15A | 0.1856 | 0.8246 | 0.4296 | 0.073* | |
H15B | 0.1719 | 0.7892 | 0.5108 | 0.073* | |
C16 | 0.2482 (5) | 0.7288 (3) | 0.4274 (3) | 0.0947 (18) | |
H16A | 0.3397 | 0.7397 | 0.4401 | 0.142* | |
H16B | 0.2381 | 0.7236 | 0.3716 | 0.142* | |
H16C | 0.2244 | 0.6881 | 0.4530 | 0.142* | |
C17 | −0.0382 (5) | 0.7111 (2) | 0.4789 (3) | 0.0758 (14) | |
H17A | −0.1330 | 0.7057 | 0.4669 | 0.091* | |
H17B | 0.0082 | 0.6733 | 0.4566 | 0.091* | |
C18 | −0.0192 (6) | 0.7089 (3) | 0.5670 (3) | 0.104 (2) | |
H18A | −0.0530 | 0.6676 | 0.5868 | 0.156* | |
H18B | −0.0671 | 0.7451 | 0.5903 | 0.156* | |
H18C | 0.0745 | 0.7127 | 0.5800 | 0.156* | |
C19 | −0.0166 (5) | 0.7661 (2) | 0.3517 (3) | 0.0688 (13) | |
H19A | 0.0262 | 0.7255 | 0.3341 | 0.083* | |
H19B | −0.1124 | 0.7607 | 0.3434 | 0.083* | |
C20 | 0.0295 (6) | 0.8214 (3) | 0.3020 (3) | 0.0878 (17) | |
H20A | 0.0079 | 0.8119 | 0.2480 | 0.132* | |
H20B | 0.1247 | 0.8264 | 0.3082 | 0.132* | |
H20C | −0.0143 | 0.8617 | 0.3174 | 0.132* | |
C21 | −0.0609 (5) | 0.8345 (2) | 0.4703 (3) | 0.0703 (13) | |
H21A | −0.0440 | 0.8370 | 0.5264 | 0.084* | |
H21B | −0.0216 | 0.8737 | 0.4468 | 0.084* | |
C22 | −0.2094 (6) | 0.8365 (3) | 0.4560 (4) | 0.113 (2) | |
H22A | −0.2453 | 0.8766 | 0.4778 | 0.169* | |
H22B | −0.2503 | 0.7988 | 0.4805 | 0.169* | |
H22C | −0.2278 | 0.8354 | 0.4005 | 0.169* | |
N1 | 0.3826 (3) | 0.48223 (17) | 0.72616 (18) | 0.0526 (8) | |
N2 | 0.0103 (3) | 0.77346 (15) | 0.43861 (19) | 0.0502 (8) | |
S1 | 0.94392 (13) | 0.45092 (6) | 0.60200 (9) | 0.0791 (4) | |
S2 | 0.82566 (11) | 0.56490 (5) | 0.68888 (6) | 0.0581 (3) | |
S3 | 0.74790 (12) | 0.54445 (6) | 0.52998 (6) | 0.0615 (3) | |
S4 | 0.66730 (13) | 0.68796 (6) | 0.71259 (7) | 0.0680 (3) | |
S5 | 0.56884 (12) | 0.66058 (6) | 0.51522 (6) | 0.0642 (3) | |
S6 | 0.47966 (11) | 0.85972 (5) | 0.55655 (6) | 0.0562 (3) | |
S7 | 0.29622 (13) | 0.76468 (6) | 0.69181 (8) | 0.0714 (4) | |
S8 | 0.24853 (11) | 0.95207 (5) | 0.56918 (6) | 0.0557 (3) | |
S9 | 0.10391 (11) | 0.87560 (6) | 0.67969 (7) | 0.0607 (3) | |
S10 | −0.02195 (13) | 0.99874 (7) | 0.61780 (9) | 0.0816 (4) | |
Cd1 | 0.50881 (3) | 0.745628 (15) | 0.617380 (18) | 0.05502 (13) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.046 (2) | 0.047 (2) | 0.069 (3) | 0.0019 (19) | −0.003 (2) | −0.002 (2) |
C2 | 0.046 (2) | 0.042 (2) | 0.056 (2) | 0.0029 (18) | −0.0074 (18) | −0.0020 (18) |
C3 | 0.045 (2) | 0.049 (2) | 0.047 (2) | 0.0080 (18) | −0.0033 (17) | −0.0040 (18) |
C4 | 0.044 (2) | 0.040 (2) | 0.047 (2) | 0.0059 (17) | −0.0032 (17) | −0.0041 (17) |
C5 | 0.056 (2) | 0.045 (2) | 0.047 (2) | 0.0051 (19) | 0.0049 (18) | −0.0035 (17) |
C6 | 0.060 (3) | 0.045 (2) | 0.058 (2) | 0.006 (2) | 0.006 (2) | −0.0059 (19) |
C7 | 0.122 (5) | 0.116 (5) | 0.095 (4) | −0.013 (4) | −0.027 (4) | −0.029 (4) |
C8 | 0.149 (7) | 0.199 (9) | 0.112 (5) | 0.015 (6) | 0.004 (5) | −0.083 (6) |
C9 | 0.081 (3) | 0.076 (3) | 0.099 (4) | 0.015 (3) | −0.007 (3) | 0.001 (3) |
C10 | 0.118 (5) | 0.058 (3) | 0.133 (5) | 0.016 (3) | 0.013 (4) | 0.024 (3) |
C11 | 0.102 (4) | 0.096 (4) | 0.089 (4) | 0.000 (3) | 0.004 (3) | 0.024 (3) |
C12 | 0.084 (4) | 0.064 (3) | 0.187 (7) | −0.016 (3) | −0.004 (4) | 0.026 (4) |
C13 | 0.086 (4) | 0.081 (4) | 0.079 (3) | 0.002 (3) | 0.009 (3) | −0.005 (3) |
C14 | 0.068 (3) | 0.081 (4) | 0.113 (4) | 0.017 (3) | 0.000 (3) | −0.005 (3) |
C15 | 0.060 (3) | 0.072 (3) | 0.052 (2) | −0.011 (2) | −0.009 (2) | −0.001 (2) |
C16 | 0.062 (3) | 0.129 (5) | 0.093 (4) | 0.027 (3) | −0.014 (3) | −0.003 (4) |
C17 | 0.072 (3) | 0.050 (3) | 0.105 (4) | −0.013 (2) | −0.004 (3) | 0.008 (3) |
C18 | 0.117 (5) | 0.094 (4) | 0.101 (4) | −0.021 (4) | 0.004 (4) | 0.040 (4) |
C19 | 0.067 (3) | 0.074 (3) | 0.065 (3) | 0.020 (2) | −0.018 (2) | −0.022 (2) |
C20 | 0.104 (4) | 0.110 (4) | 0.050 (3) | 0.032 (4) | 0.002 (3) | 0.001 (3) |
C21 | 0.090 (4) | 0.048 (3) | 0.073 (3) | 0.011 (2) | 0.022 (3) | −0.005 (2) |
C22 | 0.081 (4) | 0.110 (5) | 0.149 (6) | 0.036 (4) | 0.040 (4) | 0.005 (4) |
N1 | 0.0493 (19) | 0.058 (2) | 0.0499 (18) | −0.0028 (16) | −0.0030 (15) | −0.0024 (16) |
N2 | 0.0514 (19) | 0.0406 (17) | 0.059 (2) | −0.0005 (15) | −0.0012 (16) | −0.0080 (15) |
S1 | 0.0653 (8) | 0.0580 (7) | 0.1136 (10) | 0.0216 (6) | −0.0107 (7) | −0.0095 (7) |
S2 | 0.0609 (7) | 0.0502 (6) | 0.0628 (6) | 0.0076 (5) | −0.0164 (5) | −0.0018 (5) |
S3 | 0.0655 (7) | 0.0606 (7) | 0.0582 (6) | 0.0195 (6) | −0.0053 (5) | −0.0135 (5) |
S4 | 0.0821 (8) | 0.0637 (7) | 0.0578 (6) | 0.0230 (6) | −0.0191 (6) | −0.0171 (5) |
S5 | 0.0729 (8) | 0.0689 (7) | 0.0505 (6) | 0.0265 (6) | −0.0133 (5) | −0.0090 (5) |
S6 | 0.0506 (6) | 0.0568 (6) | 0.0615 (6) | 0.0076 (5) | 0.0106 (5) | 0.0086 (5) |
S7 | 0.0814 (8) | 0.0552 (7) | 0.0784 (8) | 0.0181 (6) | 0.0281 (7) | 0.0207 (6) |
S8 | 0.0560 (6) | 0.0464 (6) | 0.0649 (6) | 0.0070 (5) | 0.0059 (5) | 0.0074 (5) |
S9 | 0.0618 (7) | 0.0564 (6) | 0.0644 (7) | 0.0109 (5) | 0.0204 (5) | 0.0028 (5) |
S10 | 0.0716 (8) | 0.0654 (8) | 0.1084 (10) | 0.0272 (6) | 0.0183 (8) | 0.0080 (7) |
Cd1 | 0.0562 (2) | 0.04846 (19) | 0.0604 (2) | 0.01214 (15) | −0.00117 (14) | −0.00392 (14) |
C1—S1 | 1.649 (4) | C13—N1 | 1.511 (6) |
C1—S3 | 1.711 (4) | C13—H13A | 0.9700 |
C1—S2 | 1.718 (4) | C13—H13B | 0.9700 |
C2—C3 | 1.349 (5) | C14—H14A | 0.9600 |
C2—S4 | 1.736 (4) | C14—H14B | 0.9600 |
C2—S2 | 1.753 (4) | C14—H14C | 0.9600 |
C3—S5 | 1.737 (4) | C15—C16 | 1.499 (7) |
C3—S3 | 1.750 (4) | C15—N2 | 1.511 (5) |
C4—C5 | 1.356 (5) | C15—H15A | 0.9700 |
C4—S6 | 1.739 (4) | C15—H15B | 0.9700 |
C4—S8 | 1.753 (4) | C16—H16A | 0.9600 |
C5—S7 | 1.737 (4) | C16—H16B | 0.9600 |
C5—S9 | 1.743 (4) | C16—H16C | 0.9600 |
C6—S10 | 1.658 (4) | C17—C18 | 1.510 (7) |
C6—S9 | 1.708 (4) | C17—N2 | 1.513 (5) |
C6—S8 | 1.715 (4) | C17—H17A | 0.9700 |
C7—C8 | 1.464 (8) | C17—H17B | 0.9700 |
C7—N1 | 1.490 (6) | 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 | 1.475 (7) |
C8—H8B | 0.9600 | C19—N2 | 1.508 (5) |
C8—H8C | 0.9600 | C19—H19A | 0.9700 |
C9—C10 | 1.473 (7) | C19—H19B | 0.9700 |
C9—N1 | 1.492 (6) | 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 | 1.498 (7) |
C10—H10B | 0.9600 | C21—N2 | 1.522 (5) |
C10—H10C | 0.9600 | C21—H21A | 0.9700 |
C11—C12 | 1.498 (9) | C21—H21B | 0.9700 |
C11—N1 | 1.535 (6) | 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—Cd1 | 2.5293 (12) |
C12—H12B | 0.9600 | S5—Cd1 | 2.5189 (12) |
C12—H12C | 0.9600 | S6—Cd1 | 2.5330 (11) |
C13—C14 | 1.484 (7) | S7—Cd1 | 2.5162 (13) |
S1—C1—S3 | 123.9 (3) | N2—C15—H15B | 108.4 |
S1—C1—S2 | 124.6 (3) | H15A—C15—H15B | 107.4 |
S3—C1—S2 | 111.5 (2) | C15—C16—H16A | 109.5 |
C3—C2—S4 | 128.5 (3) | C15—C16—H16B | 109.5 |
C3—C2—S2 | 115.0 (3) | H16A—C16—H16B | 109.5 |
S4—C2—S2 | 116.5 (2) | C15—C16—H16C | 109.5 |
C2—C3—S5 | 129.4 (3) | H16A—C16—H16C | 109.5 |
C2—C3—S3 | 115.1 (3) | H16B—C16—H16C | 109.5 |
S5—C3—S3 | 115.5 (2) | C18—C17—N2 | 116.0 (4) |
C5—C4—S6 | 128.6 (3) | C18—C17—H17A | 108.3 |
C5—C4—S8 | 114.8 (3) | N2—C17—H17A | 108.3 |
S6—C4—S8 | 116.6 (2) | C18—C17—H17B | 108.3 |
C4—C5—S7 | 128.7 (3) | N2—C17—H17B | 108.3 |
C4—C5—S9 | 115.5 (3) | H17A—C17—H17B | 107.4 |
S7—C5—S9 | 115.8 (2) | C17—C18—H18A | 109.5 |
S10—C6—S9 | 123.4 (3) | C17—C18—H18B | 109.5 |
S10—C6—S8 | 124.5 (3) | H18A—C18—H18B | 109.5 |
S9—C6—S8 | 112.2 (2) | C17—C18—H18C | 109.5 |
C8—C7—N1 | 117.8 (6) | H18A—C18—H18C | 109.5 |
C8—C7—H7A | 107.9 | H18B—C18—H18C | 109.5 |
N1—C7—H7A | 107.9 | C20—C19—N2 | 115.9 (4) |
C8—C7—H7B | 107.9 | C20—C19—H19A | 108.3 |
N1—C7—H7B | 107.9 | N2—C19—H19A | 108.3 |
H7A—C7—H7B | 107.2 | C20—C19—H19B | 108.3 |
C7—C8—H8A | 109.5 | N2—C19—H19B | 108.3 |
C7—C8—H8B | 109.5 | H19A—C19—H19B | 107.4 |
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 |
C10—C9—N1 | 118.1 (5) | H20A—C20—H20C | 109.5 |
C10—C9—H9A | 107.8 | H20B—C20—H20C | 109.5 |
N1—C9—H9A | 107.8 | C22—C21—N2 | 115.4 (4) |
C10—C9—H9B | 107.8 | C22—C21—H21A | 108.4 |
N1—C9—H9B | 107.8 | N2—C21—H21A | 108.4 |
H9A—C9—H9B | 107.1 | C22—C21—H21B | 108.4 |
C9—C10—H10A | 109.5 | N2—C21—H21B | 108.4 |
C9—C10—H10B | 109.5 | H21A—C21—H21B | 107.5 |
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 |
C12—C11—N1 | 116.8 (4) | H22A—C22—H22C | 109.5 |
C12—C11—H11A | 108.1 | H22B—C22—H22C | 109.5 |
N1—C11—H11A | 108.1 | C7—N1—C9 | 112.7 (4) |
C12—C11—H11B | 108.1 | C7—N1—C13 | 109.4 (4) |
N1—C11—H11B | 108.1 | C9—N1—C13 | 109.2 (4) |
H11A—C11—H11B | 107.3 | C7—N1—C11 | 108.0 (4) |
C11—C12—H12A | 109.5 | C9—N1—C11 | 107.0 (4) |
C11—C12—H12B | 109.5 | C13—N1—C11 | 110.5 (4) |
H12A—C12—H12B | 109.5 | C19—N2—C15 | 110.5 (3) |
C11—C12—H12C | 109.5 | C19—N2—C17 | 108.1 (3) |
H12A—C12—H12C | 109.5 | C15—N2—C17 | 110.3 (3) |
H12B—C12—H12C | 109.5 | C19—N2—C21 | 110.5 (3) |
C14—C13—N1 | 116.8 (4) | C15—N2—C21 | 106.7 (3) |
C14—C13—H13A | 108.1 | C17—N2—C21 | 110.8 (3) |
N1—C13—H13A | 108.1 | C1—S2—C2 | 99.07 (19) |
C14—C13—H13B | 108.1 | C1—S3—C3 | 99.28 (19) |
N1—C13—H13B | 108.1 | C2—S4—Cd1 | 96.70 (13) |
H13A—C13—H13B | 107.3 | C3—S5—Cd1 | 96.57 (13) |
C13—C14—H14A | 109.5 | C4—S6—Cd1 | 96.74 (13) |
C13—C14—H14B | 109.5 | C5—S7—Cd1 | 97.19 (14) |
H14A—C14—H14B | 109.5 | C6—S8—C4 | 98.68 (19) |
C13—C14—H14C | 109.5 | C6—S9—C5 | 98.9 (2) |
H14A—C14—H14C | 109.5 | S7—Cd1—S5 | 131.48 (5) |
H14B—C14—H14C | 109.5 | S7—Cd1—S4 | 105.67 (4) |
C16—C15—N2 | 115.6 (4) | S5—Cd1—S4 | 88.78 (4) |
C16—C15—H15A | 108.4 | S7—Cd1—S6 | 88.61 (4) |
N2—C15—H15A | 108.4 | S5—Cd1—S6 | 111.09 (4) |
C16—C15—H15B | 108.4 | S4—Cd1—S6 | 138.13 (4) |
S4—C2—C3—S5 | 0.4 (6) | C3—C2—S2—C1 | 1.9 (4) |
S2—C2—C3—S5 | −178.5 (2) | S4—C2—S2—C1 | −177.1 (2) |
S4—C2—C3—S3 | 177.6 (2) | S1—C1—S3—C3 | −179.3 (3) |
S2—C2—C3—S3 | −1.3 (4) | S2—C1—S3—C3 | 1.2 (3) |
S6—C4—C5—S7 | −0.8 (6) | C2—C3—S3—C1 | 0.1 (4) |
S8—C4—C5—S7 | 176.9 (2) | S5—C3—S3—C1 | 177.7 (2) |
S6—C4—C5—S9 | −178.4 (2) | C3—C2—S4—Cd1 | 2.1 (4) |
S8—C4—C5—S9 | −0.7 (4) | S2—C2—S4—Cd1 | −179.0 (2) |
C8—C7—N1—C9 | 52.3 (8) | C2—C3—S5—Cd1 | −2.6 (4) |
C8—C7—N1—C13 | 173.9 (6) | S3—C3—S5—Cd1 | −179.8 (2) |
C8—C7—N1—C11 | −65.7 (8) | C5—C4—S6—Cd1 | 3.3 (4) |
C10—C9—N1—C7 | 59.2 (6) | S8—C4—S6—Cd1 | −174.26 (18) |
C10—C9—N1—C13 | −62.6 (6) | C4—C5—S7—Cd1 | −2.4 (4) |
C10—C9—N1—C11 | 177.7 (5) | S9—C5—S7—Cd1 | 175.18 (19) |
C14—C13—N1—C7 | 66.4 (6) | S10—C6—S8—C4 | −176.6 (3) |
C14—C13—N1—C9 | −169.8 (4) | S9—C6—S8—C4 | 1.7 (3) |
C14—C13—N1—C11 | −52.4 (6) | C5—C4—S8—C6 | −0.6 (3) |
C12—C11—N1—C7 | −172.6 (5) | S6—C4—S8—C6 | 177.3 (2) |
C12—C11—N1—C9 | 65.8 (6) | S10—C6—S9—C5 | 176.3 (3) |
C12—C11—N1—C13 | −53.0 (6) | S8—C6—S9—C5 | −2.0 (3) |
C20—C19—N2—C15 | −56.8 (5) | C4—C5—S9—C6 | 1.7 (3) |
C20—C19—N2—C17 | −177.6 (4) | S7—C5—S9—C6 | −176.2 (2) |
C20—C19—N2—C21 | 61.1 (5) | C5—S7—Cd1—S5 | −114.31 (14) |
C16—C15—N2—C19 | −59.4 (5) | C5—S7—Cd1—S4 | 143.07 (14) |
C16—C15—N2—C17 | 60.0 (5) | C5—S7—Cd1—S6 | 3.00 (14) |
C16—C15—N2—C21 | −179.6 (4) | C3—S5—Cd1—S7 | −107.34 (14) |
C18—C17—N2—C19 | 179.7 (4) | C3—S5—Cd1—S4 | 2.64 (14) |
C18—C17—N2—C15 | 58.9 (6) | C3—S5—Cd1—S6 | 144.83 (14) |
C18—C17—N2—C21 | −59.0 (6) | C2—S4—Cd1—S7 | 130.47 (14) |
C22—C21—N2—C19 | 56.4 (5) | C2—S4—Cd1—S5 | −2.54 (14) |
C22—C21—N2—C15 | 176.5 (4) | C2—S4—Cd1—S6 | −123.56 (14) |
C22—C21—N2—C17 | −63.4 (5) | C4—S6—Cd1—S7 | −3.24 (13) |
S1—C1—S2—C2 | 178.7 (3) | C4—S6—Cd1—S5 | 131.25 (13) |
S3—C1—S2—C2 | −1.7 (3) | C4—S6—Cd1—S4 | −115.43 (13) |