Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802003604/ww6010sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536802003604/ww6010Isup2.hkl |
CCDC reference: 183760
Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SHELXTL (Bruker, 2000); program(s) used to solve structure: DIRDIF92 PATTY (Beurskens et al., 1992); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
C54H68Cd2FeN4P2S8 | F(000) = 2800 |
Mr = 1372.19 | Dx = 1.510 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71069 Å |
Hall symbol: -C 2yc | Cell parameters from 24873 reflections |
a = 16.6641 (6) Å | θ = 1.5–30.1° |
b = 13.1396 (5) Å | µ = 1.30 mm−1 |
c = 27.8664 (11) Å | T = 223 K |
β = 98.482 (1)° | Block, pale-yellow |
V = 6034.9 (4) Å3 | 0.42 × 0.23 × 0.23 mm |
Z = 4 |
Bruker AXS SMART CCD diffractometer | 8787 independent reflections |
Radiation source: fine-focus sealed tube | 7066 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.031 |
ω scans | θmax = 30.1°, θmin = 1.5° |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | h = −23→14 |
Tmin = 0.573, Tmax = 0.741 | k = −17→18 |
24873 measured reflections | l = −37→39 |
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)] = 0.031 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.074 | H-atom parameters constrained |
S = 0.95 | w = 1/[σ2(Fo2) + (0.0404P)2] where P = (Fo2 + 2Fc2)/3 |
8787 reflections | (Δ/σ)max = 0.001 |
323 parameters | Δρmax = 0.71 e Å−3 |
0 restraints | Δρmin = −0.32 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 | ||
Cd | 0.214866 (8) | 0.034561 (11) | 0.127986 (5) | 0.03017 (5) | |
Fe | 0.2500 | 0.2500 | 0.0000 | 0.02823 (9) | |
S1 | 0.23792 (3) | −0.14740 (4) | 0.095223 (18) | 0.03608 (12) | |
S2 | 0.10837 (3) | −0.00617 (4) | 0.05161 (2) | 0.03971 (13) | |
S3 | 0.12781 (3) | 0.14280 (5) | 0.17920 (2) | 0.03962 (12) | |
S4 | 0.27831 (3) | 0.03239 (4) | 0.220067 (18) | 0.03501 (11) | |
P1 | 0.33957 (3) | 0.13779 (4) | 0.103487 (17) | 0.02560 (10) | |
N1 | 0.12928 (10) | −0.19157 (12) | 0.01805 (6) | 0.0319 (3) | |
N2 | 0.21166 (10) | 0.17880 (13) | 0.26649 (6) | 0.0344 (4) | |
C1 | 0.15553 (11) | −0.12256 (14) | 0.05151 (7) | 0.0276 (4) | |
C2 | 0.06287 (13) | −0.16968 (18) | −0.02157 (8) | 0.0437 (5) | |
H2a | 0.0252 | −0.1212 | −0.0101 | 0.0606 (14)* | |
H2b | 0.0329 | −0.2326 | −0.0308 | 0.0606 (14)* | |
C3 | 0.09371 (17) | −0.1262 (3) | −0.06539 (9) | 0.0705 (9) | |
H3a | 0.0483 | −0.1133 | −0.0907 | 0.0727 (16)* | |
H3b | 0.1305 | −0.1743 | −0.0771 | 0.0727 (16)* | |
H3c | 0.1222 | −0.0629 | −0.0566 | 0.0727 (16)* | |
C4 | 0.16098 (13) | −0.29614 (15) | 0.01951 (8) | 0.0372 (4) | |
H4a | 0.2175 | −0.2963 | 0.0354 | 0.0606 (14)* | |
H4b | 0.1600 | −0.3212 | −0.0137 | 0.0606 (14)* | |
C5 | 0.11155 (17) | −0.36621 (18) | 0.04653 (10) | 0.0559 (7) | |
H5a | 0.1341 | −0.4343 | 0.0471 | 0.0727 (16)* | |
H5b | 0.0559 | −0.3674 | 0.0303 | 0.0727 (16)* | |
H5c | 0.1129 | −0.3419 | 0.0795 | 0.0727 (16)* | |
C6 | 0.20633 (11) | 0.12390 (14) | 0.22640 (7) | 0.0296 (4) | |
C7 | 0.27885 (14) | 0.16568 (18) | 0.30685 (7) | 0.0431 (5) | |
H7a | 0.2961 | 0.0943 | 0.3085 | 0.0606 (14)* | |
H7b | 0.2598 | 0.1827 | 0.3375 | 0.0606 (14)* | |
C8 | 0.35024 (15) | 0.2324 (2) | 0.30057 (10) | 0.0579 (7) | |
H8a | 0.3934 | 0.2217 | 0.3275 | 0.0727 (16)* | |
H8b | 0.3336 | 0.3032 | 0.2997 | 0.0727 (16)* | |
H8c | 0.3696 | 0.2151 | 0.2704 | 0.0727 (16)* | |
C9 | 0.15626 (14) | 0.26379 (17) | 0.27244 (8) | 0.0442 (5) | |
H9a | 0.1307 | 0.2868 | 0.2403 | 0.0606 (14)* | |
H9b | 0.1877 | 0.3207 | 0.2882 | 0.0606 (14)* | |
C10 | 0.09164 (16) | 0.2353 (2) | 0.30181 (11) | 0.0631 (7) | |
H10a | 0.0569 | 0.2936 | 0.3046 | 0.0727 (16)* | |
H10b | 0.1165 | 0.2141 | 0.3339 | 0.0727 (16)* | |
H10c | 0.0596 | 0.1798 | 0.2860 | 0.0727 (16)* | |
C11 | 0.33543 (11) | 0.16171 (14) | 0.03954 (7) | 0.0281 (4) | |
C12 | 0.28745 (11) | 0.10210 (15) | 0.00344 (7) | 0.0312 (4) | |
H12 | 0.2559 | 0.0453 | 0.0091 | 0.0485 (11)* | |
C13 | 0.29550 (14) | 0.14331 (17) | −0.04255 (7) | 0.0401 (5) | |
H13 | 0.2703 | 0.1183 | −0.0727 | 0.0485 (11)* | |
C14 | 0.34752 (13) | 0.22784 (18) | −0.03557 (8) | 0.0414 (5) | |
H14 | 0.3628 | 0.2692 | −0.0602 | 0.0485 (11)* | |
C15 | 0.37313 (11) | 0.24022 (16) | 0.01491 (8) | 0.0358 (4) | |
H15 | 0.4084 | 0.2908 | 0.0296 | 0.0485 (11)* | |
C16 | 0.36928 (12) | 0.25703 (14) | 0.13385 (7) | 0.0322 (4) | |
C17 | 0.44381 (14) | 0.30290 (16) | 0.13093 (9) | 0.0462 (5) | |
H17 | 0.4800 | 0.2723 | 0.1124 | 0.0485 (11)* | |
C18 | 0.46491 (18) | 0.3928 (2) | 0.15502 (12) | 0.0659 (8) | |
H18 | 0.5149 | 0.4239 | 0.1526 | 0.0485 (11)* | |
C19 | 0.4127 (2) | 0.4367 (2) | 0.18256 (12) | 0.0751 (9) | |
H19 | 0.4276 | 0.4974 | 0.1995 | 0.0485 (11)* | |
C20 | 0.3386 (2) | 0.3930 (2) | 0.18574 (10) | 0.0657 (8) | |
H20 | 0.3030 | 0.4242 | 0.2045 | 0.0485 (11)* | |
C21 | 0.31637 (15) | 0.30330 (16) | 0.16145 (8) | 0.0440 (5) | |
H21 | 0.2657 | 0.2736 | 0.1636 | 0.0485 (11)* | |
C22 | 0.42824 (11) | 0.05673 (14) | 0.11904 (7) | 0.0278 (4) | |
C23 | 0.45219 (13) | −0.00965 (16) | 0.08529 (8) | 0.0376 (5) | |
H23 | 0.4244 | −0.0104 | 0.0534 | 0.0485 (11)* | |
C24 | 0.51713 (14) | −0.07522 (17) | 0.09837 (9) | 0.0468 (6) | |
H24 | 0.5331 | −0.1201 | 0.0753 | 0.0485 (11)* | |
C25 | 0.55817 (13) | −0.07481 (17) | 0.14505 (10) | 0.0468 (6) | |
H25 | 0.6023 | −0.1190 | 0.1537 | 0.0485 (11)* | |
C26 | 0.53476 (14) | −0.01024 (19) | 0.17883 (9) | 0.0479 (6) | |
H26 | 0.5628 | −0.0101 | 0.2107 | 0.0485 (11)* | |
C27 | 0.46940 (13) | 0.05540 (17) | 0.16620 (8) | 0.0393 (5) | |
H27 | 0.4531 | 0.0990 | 0.1897 | 0.0485 (11)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cd | 0.03295 (8) | 0.03153 (8) | 0.02601 (7) | 0.00076 (5) | 0.00432 (5) | −0.00295 (5) |
Fe | 0.0303 (2) | 0.0310 (2) | 0.02509 (18) | 0.01250 (15) | 0.00959 (15) | 0.00529 (15) |
S1 | 0.0473 (3) | 0.0300 (2) | 0.0284 (2) | 0.0086 (2) | −0.0028 (2) | −0.00077 (19) |
S2 | 0.0369 (3) | 0.0331 (3) | 0.0452 (3) | 0.0080 (2) | −0.0069 (2) | −0.0086 (2) |
S3 | 0.0325 (3) | 0.0519 (3) | 0.0338 (3) | 0.0094 (2) | 0.0029 (2) | −0.0060 (2) |
S4 | 0.0436 (3) | 0.0346 (3) | 0.0259 (2) | 0.0113 (2) | 0.0021 (2) | −0.00141 (19) |
P1 | 0.0262 (2) | 0.0253 (2) | 0.0253 (2) | 0.00427 (17) | 0.00366 (17) | 0.00084 (18) |
N1 | 0.0314 (8) | 0.0313 (8) | 0.0326 (8) | −0.0018 (6) | 0.0040 (7) | −0.0041 (7) |
N2 | 0.0400 (9) | 0.0335 (9) | 0.0300 (8) | 0.0027 (7) | 0.0058 (7) | −0.0049 (7) |
C1 | 0.0292 (9) | 0.0273 (9) | 0.0275 (9) | −0.0017 (7) | 0.0081 (7) | 0.0004 (7) |
C2 | 0.0324 (11) | 0.0482 (13) | 0.0467 (13) | 0.0012 (9) | −0.0063 (9) | −0.0146 (10) |
C3 | 0.0634 (18) | 0.110 (3) | 0.0353 (13) | 0.0269 (16) | −0.0023 (12) | 0.0031 (15) |
C4 | 0.0431 (12) | 0.0304 (10) | 0.0395 (11) | 0.0005 (8) | 0.0109 (9) | −0.0088 (8) |
C5 | 0.0726 (18) | 0.0346 (12) | 0.0655 (17) | −0.0045 (11) | 0.0266 (14) | −0.0018 (11) |
C6 | 0.0335 (10) | 0.0284 (9) | 0.0282 (9) | −0.0007 (7) | 0.0083 (7) | 0.0014 (7) |
C7 | 0.0531 (13) | 0.0471 (13) | 0.0273 (10) | 0.0033 (10) | −0.0003 (9) | −0.0090 (9) |
C8 | 0.0513 (15) | 0.0626 (17) | 0.0561 (16) | −0.0060 (12) | −0.0040 (12) | −0.0105 (13) |
C9 | 0.0572 (14) | 0.0338 (11) | 0.0418 (12) | 0.0041 (10) | 0.0077 (10) | −0.0062 (9) |
C10 | 0.0580 (17) | 0.0684 (18) | 0.0671 (18) | 0.0151 (13) | 0.0233 (14) | 0.0014 (14) |
C11 | 0.0284 (9) | 0.0294 (9) | 0.0272 (9) | 0.0092 (7) | 0.0068 (7) | 0.0037 (7) |
C12 | 0.0331 (10) | 0.0321 (10) | 0.0286 (9) | 0.0121 (8) | 0.0056 (8) | 0.0013 (7) |
C13 | 0.0483 (12) | 0.0467 (12) | 0.0264 (10) | 0.0251 (10) | 0.0094 (9) | 0.0014 (9) |
C14 | 0.0413 (12) | 0.0506 (13) | 0.0368 (11) | 0.0235 (10) | 0.0204 (9) | 0.0159 (10) |
C15 | 0.0284 (10) | 0.0398 (11) | 0.0417 (11) | 0.0101 (8) | 0.0135 (8) | 0.0097 (9) |
C16 | 0.0379 (11) | 0.0255 (9) | 0.0313 (10) | 0.0055 (8) | −0.0007 (8) | 0.0002 (7) |
C17 | 0.0399 (12) | 0.0335 (11) | 0.0621 (15) | −0.0004 (9) | −0.0024 (10) | −0.0030 (10) |
C18 | 0.0681 (18) | 0.0390 (14) | 0.084 (2) | −0.0117 (12) | −0.0098 (16) | −0.0020 (14) |
C19 | 0.120 (3) | 0.0306 (13) | 0.069 (2) | −0.0041 (16) | −0.0057 (19) | −0.0146 (13) |
C20 | 0.112 (3) | 0.0373 (13) | 0.0512 (16) | 0.0147 (15) | 0.0232 (16) | −0.0082 (12) |
C21 | 0.0639 (15) | 0.0326 (11) | 0.0375 (11) | 0.0097 (10) | 0.0141 (10) | 0.0005 (9) |
C22 | 0.0231 (9) | 0.0255 (9) | 0.0347 (10) | 0.0022 (7) | 0.0039 (7) | 0.0035 (7) |
C23 | 0.0348 (11) | 0.0352 (11) | 0.0418 (12) | 0.0078 (8) | 0.0017 (9) | −0.0038 (9) |
C24 | 0.0413 (12) | 0.0346 (11) | 0.0655 (16) | 0.0120 (9) | 0.0106 (11) | −0.0020 (11) |
C25 | 0.0301 (11) | 0.0357 (11) | 0.0723 (17) | 0.0096 (9) | 0.0000 (10) | 0.0132 (11) |
C26 | 0.0401 (12) | 0.0499 (14) | 0.0483 (13) | 0.0067 (10) | −0.0114 (10) | 0.0109 (11) |
C27 | 0.0389 (12) | 0.0404 (12) | 0.0366 (11) | 0.0075 (9) | −0.0010 (9) | 0.0014 (9) |
Cd—S1 | 2.6079 (5) | C8—H8B | 0.9700 |
Cd—S2 | 2.6175 (5) | C8—H8C | 0.9700 |
Cd—S3 | 2.6029 (5) | C9—C10 | 1.493 (3) |
Cd—S4 | 2.6273 (5) | C9—H9A | 0.9800 |
Cd—P1 | 2.6539 (5) | C9—H9B | 0.9800 |
Fe—C11 | 2.0308 (17) | C10—H10A | 0.9700 |
Fe—C12 | 2.0390 (18) | C10—H10B | 0.9700 |
Fe—C14 | 2.0453 (19) | C10—H10C | 0.9700 |
Fe—C15 | 2.0366 (19) | C11—C15 | 1.434 (3) |
Fe—C13 | 2.0521 (19) | C11—C12 | 1.424 (3) |
S1—C1 | 1.7269 (19) | C12—C13 | 1.416 (3) |
S2—C1 | 1.7196 (19) | C12—H12 | 0.9400 |
S3—C6 | 1.7310 (19) | C13—C14 | 1.405 (3) |
S4—C6 | 1.7257 (19) | C13—H13 | 0.9400 |
P1—C11 | 1.8006 (19) | C14—C15 | 1.418 (3) |
P1—C16 | 1.8144 (19) | C14—H14 | 0.9400 |
P1—C22 | 1.8212 (18) | C15—H15 | 0.9400 |
N1—C1 | 1.328 (2) | C16—C21 | 1.392 (3) |
N1—C4 | 1.470 (2) | C16—C17 | 1.394 (3) |
N1—C2 | 1.472 (3) | C17—C18 | 1.379 (3) |
N2—C6 | 1.322 (2) | C17—H17 | 0.9400 |
N2—C9 | 1.474 (3) | C18—C19 | 1.369 (5) |
N2—C7 | 1.475 (3) | C18—H18 | 0.9400 |
C2—C3 | 1.506 (4) | C19—C20 | 1.377 (4) |
C2—H2A | 0.9800 | C19—H19 | 0.9400 |
C2—H2B | 0.9800 | C20—C21 | 1.382 (3) |
C3—H3A | 0.9700 | C20—H20 | 0.9400 |
C3—H3B | 0.9700 | C21—H21 | 0.9400 |
C3—H3C | 0.9700 | C22—C23 | 1.384 (3) |
C4—C5 | 1.509 (3) | C22—C27 | 1.390 (3) |
C4—H4A | 0.9800 | C23—C24 | 1.389 (3) |
C4—H4B | 0.9800 | C23—H23 | 0.9400 |
C5—H5A | 0.9700 | C24—C25 | 1.378 (3) |
C5—H5B | 0.9700 | C24—H24 | 0.9400 |
C5—H5C | 0.9700 | C25—C26 | 1.366 (4) |
C7—C8 | 1.508 (3) | C25—H25 | 0.9400 |
C7—H7A | 0.9800 | C26—C27 | 1.393 (3) |
C7—H7B | 0.9800 | C26—H26 | 0.9400 |
C8—H8A | 0.9700 | C27—H27 | 0.9400 |
S1—Cd—S2 | 69.213 (16) | N2—C7—C8 | 111.5 (2) |
S1—Cd—S3 | 144.657 (19) | N2—C7—H7A | 109.3 |
S1—Cd—S4 | 105.851 (16) | C8—C7—H7A | 109.3 |
S2—Cd—S3 | 101.051 (17) | N2—C7—H7B | 109.3 |
S2—Cd—S4 | 156.76 (2) | C8—C7—H7B | 109.3 |
S3—Cd—S4 | 69.328 (16) | H7A—C7—H7B | 108.0 |
S1—Cd—P1 | 102.541 (17) | C7—C8—H8A | 109.5 |
S2—Cd—P1 | 110.979 (18) | C7—C8—H8B | 109.5 |
S3—Cd—P1 | 112.501 (18) | H8A—C8—H8B | 109.5 |
S4—Cd—P1 | 92.246 (17) | C7—C8—H8C | 109.5 |
C11—Fe—C11i | 180.00 (9) | H8A—C8—H8C | 109.5 |
C11—Fe—C12 | 40.96 (7) | H8B—C8—H8C | 109.5 |
C11i—Fe—C12 | 139.04 (7) | N2—C9—C10 | 112.7 (2) |
C11—Fe—C12i | 139.04 (7) | N2—C9—H9A | 109.0 |
C12—Fe—C12i | 180.0 | C10—C9—H9A | 109.0 |
C11—Fe—C14 | 68.78 (8) | N2—C9—H9B | 109.0 |
C11i—Fe—C14 | 111.21 (8) | C10—C9—H9B | 109.0 |
C12—Fe—C14 | 68.13 (8) | H9A—C9—H9B | 107.8 |
C12i—Fe—C14 | 111.87 (8) | C9—C10—H10A | 109.5 |
C11—Fe—C14i | 111.21 (8) | C9—C10—H10B | 109.5 |
C12—Fe—C14i | 111.87 (8) | H10A—C10—H10B | 109.5 |
C14—Fe—C14i | 180.00 (10) | C9—C10—H10C | 109.5 |
C11—Fe—C15i | 138.70 (8) | H10A—C10—H10C | 109.5 |
C12—Fe—C15i | 111.22 (8) | H10B—C10—H10C | 109.5 |
C14—Fe—C15i | 139.35 (8) | C15—C11—C12 | 107.30 (17) |
C11—Fe—C15 | 41.30 (8) | C15—C11—P1 | 130.05 (16) |
C11i—Fe—C15 | 138.70 (8) | C12—C11—P1 | 122.61 (15) |
C12—Fe—C15 | 68.78 (8) | C15—C11—Fe | 69.57 (10) |
C12i—Fe—C15 | 111.22 (8) | C12—C11—Fe | 69.83 (10) |
C14—Fe—C15 | 40.65 (8) | P1—C11—Fe | 123.93 (9) |
C14i—Fe—C15 | 139.35 (8) | C13—C12—C11 | 108.12 (19) |
C15i—Fe—C15 | 180.0 | C13—C12—Fe | 70.26 (11) |
C11—Fe—C13 | 68.54 (8) | C11—C12—Fe | 69.21 (10) |
C11i—Fe—C13 | 111.46 (8) | C13—C12—H12 | 125.9 |
C12—Fe—C13 | 40.49 (8) | C11—C12—H12 | 125.9 |
C12i—Fe—C13 | 139.51 (8) | Fe—C12—H12 | 126.2 |
C14—Fe—C13 | 40.10 (9) | C14—C13—C12 | 108.42 (19) |
C14i—Fe—C13 | 139.90 (9) | C14—C13—Fe | 69.69 (12) |
C15i—Fe—C13 | 111.85 (9) | C12—C13—Fe | 69.26 (11) |
C15—Fe—C13 | 68.15 (9) | C14—C13—H13 | 125.8 |
C11—Fe—C13i | 111.46 (8) | C12—C13—H13 | 125.8 |
C12—Fe—C13i | 139.51 (8) | Fe—C13—H13 | 126.8 |
C14—Fe—C13i | 139.90 (9) | C13—C14—C15 | 108.51 (18) |
C15—Fe—C13i | 111.85 (9) | C13—C14—Fe | 70.21 (12) |
C13—Fe—C13i | 180.00 (13) | C15—C14—Fe | 69.35 (11) |
Cd—S1—C1 | 86.03 (6) | C13—C14—H14 | 125.7 |
Cd—S2—C1 | 85.87 (6) | C15—C14—H14 | 125.7 |
Cd—S3—C6 | 85.31 (6) | Fe—C14—H14 | 126.3 |
Cd—S4—C6 | 84.65 (6) | C11—C15—C14 | 107.65 (19) |
C16—P1—C11 | 106.19 (9) | C11—C15—Fe | 69.13 (10) |
C16—P1—C22 | 103.77 (9) | C14—C15—Fe | 70.00 (11) |
C11—P1—C22 | 104.41 (8) | C11—C15—H15 | 126.2 |
C16—P1—Cd | 119.44 (7) | C14—C15—H15 | 126.2 |
C11—P1—Cd | 115.25 (6) | Fe—C15—H15 | 126.3 |
C22—P1—Cd | 106.17 (6) | C21—C16—C17 | 119.1 (2) |
C1—N1—C4 | 122.61 (16) | C21—C16—P1 | 118.90 (16) |
C1—N1—C2 | 121.78 (17) | C17—C16—P1 | 122.03 (16) |
C4—N1—C2 | 115.52 (16) | C18—C17—C16 | 120.5 (2) |
C6—N2—C9 | 122.92 (17) | C18—C17—H17 | 119.7 |
C6—N2—C7 | 121.96 (17) | C16—C17—H17 | 119.7 |
C9—N2—C7 | 114.85 (16) | C17—C18—C19 | 119.8 (3) |
S1—C1—S2 | 118.88 (11) | C17—C18—H18 | 120.1 |
S1—C1—N1 | 120.77 (14) | C19—C18—H18 | 120.1 |
S2—C1—N1 | 120.35 (14) | C20—C19—C18 | 120.7 (3) |
N1—C2—C3 | 111.95 (19) | C20—C19—H19 | 119.7 |
N1—C2—H2A | 109.2 | C18—C19—H19 | 119.7 |
C3—C2—H2A | 109.2 | C21—C20—C19 | 120.2 (3) |
N1—C2—H2B | 109.2 | C21—C20—H20 | 119.9 |
C3—C2—H2B | 109.2 | C19—C20—H20 | 119.9 |
H2A—C2—H2B | 107.9 | C20—C21—C16 | 119.8 (2) |
C2—C3—H3A | 109.5 | C20—C21—H21 | 120.1 |
C2—C3—H3B | 109.5 | C16—C21—H21 | 120.1 |
H3A—C3—H3B | 109.5 | C23—C22—C27 | 118.88 (18) |
C2—C3—H3C | 109.5 | C23—C22—P1 | 120.80 (15) |
H3A—C3—H3C | 109.5 | C27—C22—P1 | 120.15 (15) |
H3B—C3—H3C | 109.5 | C22—C23—C24 | 120.3 (2) |
N1—C4—C5 | 111.33 (17) | C22—C23—H23 | 119.9 |
N1—C4—H4A | 109.4 | C24—C23—H23 | 119.9 |
C5—C4—H4A | 109.4 | C25—C24—C23 | 120.3 (2) |
N1—C4—H4B | 109.4 | C25—C24—H24 | 119.9 |
C5—C4—H4B | 109.4 | C23—C24—H24 | 119.9 |
H4A—C4—H4B | 108.0 | C26—C25—C24 | 120.0 (2) |
C4—C5—H5A | 109.5 | C26—C25—H25 | 120.0 |
C4—C5—H5B | 109.5 | C24—C25—H25 | 120.0 |
H5A—C5—H5B | 109.5 | C25—C26—C27 | 120.2 (2) |
C4—C5—H5C | 109.5 | C25—C26—H26 | 119.9 |
H5A—C5—H5C | 109.5 | C27—C26—H26 | 119.9 |
H5B—C5—H5C | 109.5 | C22—C27—C26 | 120.3 (2) |
S3—C6—S4 | 118.76 (11) | C22—C27—H27 | 119.8 |
S3—C6—N2 | 120.86 (15) | C26—C27—H27 | 119.8 |
S4—C6—N2 | 120.38 (15) |
Symmetry code: (i) −x+1/2, −y+1/2, −z. |