Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806019210/ac2019sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806019210/ac2019Isup2.hkl |
CCDC reference: 610676
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C)= 0.005 Å
- R factor = 0.042
- wR factor = 0.103
- Data-to-parameter ratio = 20.7
checkCIF/PLATON results
No syntax errors found No errors found in this datablock
Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
(C22H24P)[Ni(C3S5)2] | F(000) = 1580 |
Mr = 770.75 | Dx = 1.570 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71069 Å |
Hall symbol: -P 2ybc | Cell parameters from 5061 reflections |
a = 8.373 (1) Å | θ = 2.6–26.3° |
b = 26.177 (4) Å | µ = 1.31 mm−1 |
c = 16.005 (2) Å | T = 298 K |
β = 111.678 (2)° | Prism, black |
V = 3259.9 (8) Å3 | 0.31 × 0.21 × 0.14 mm |
Z = 4 |
Bruker SMART CCD area-detector diffractometer | 7491 independent reflections |
Radiation source: fine-focus sealed tube | 4815 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.061 |
φ and ω scans | θmax = 28.3°, θmin = 2.1° |
Absorption correction: multi-scan (SADABS; Bruker, 1998) | h = −10→8 |
Tmin = 0.688, Tmax = 0.838 | k = −33→34 |
19383 measured reflections | l = −20→18 |
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)] = 0.042 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.103 | H-atom parameters constrained |
S = 0.92 | w = 1/[σ2(Fo2) + (0.0447P)2] where P = (Fo2 + 2Fc2)/3 |
7491 reflections | (Δ/σ)max = 0.001 |
362 parameters | Δρmax = 0.47 e Å−3 |
0 restraints | Δρmin = −0.24 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. All H atoms placed in geometrically calculated positions and refined using a riding model with C—H = 0.96%A (for CH2 groups), 0.97%A (for CH3 groups) and C—H = 0.93%A (for C6H5 groups), their isotropic displacement parameters were set to 1.2 times (1.5times for CH3 groups) the equivalent displacement parameter of their parent atoms. |
x | y | z | Uiso*/Ueq | ||
Ni1 | 0.24043 (5) | 0.530698 (13) | 0.58604 (2) | 0.04382 (11) | |
C1 | −0.2070 (4) | 0.65522 (11) | 0.33321 (19) | 0.0537 (8) | |
C2 | −0.0229 (4) | 0.60910 (10) | 0.48245 (19) | 0.0489 (7) | |
C3 | 0.0208 (4) | 0.58635 (10) | 0.41740 (18) | 0.0460 (7) | |
C4 | 0.4542 (4) | 0.47247 (10) | 0.75365 (17) | 0.0432 (7) | |
C5 | 0.5012 (4) | 0.45149 (10) | 0.68947 (17) | 0.0419 (6) | |
C6 | 0.6753 (4) | 0.40136 (11) | 0.83714 (18) | 0.0526 (8) | |
C7 | 0.5881 (4) | 0.65678 (10) | 0.66708 (16) | 0.0452 (7) | |
C8 | 0.5701 (5) | 0.63699 (13) | 0.5842 (2) | 0.0672 (9) | |
H8 | 0.6490 | 0.6133 | 0.5795 | 0.081* | |
C9 | 0.4351 (5) | 0.65243 (15) | 0.5084 (2) | 0.0768 (11) | |
H9 | 0.4232 | 0.6388 | 0.4527 | 0.092* | |
C10 | 0.3205 (5) | 0.68697 (14) | 0.5138 (2) | 0.0693 (10) | |
H10 | 0.2308 | 0.6973 | 0.4620 | 0.083* | |
C11 | 0.3349 (5) | 0.70683 (14) | 0.5942 (2) | 0.0717 (10) | |
H11 | 0.2551 | 0.7306 | 0.5978 | 0.086* | |
C12 | 0.4696 (4) | 0.69155 (12) | 0.67157 (19) | 0.0595 (8) | |
H12 | 0.4792 | 0.7051 | 0.7269 | 0.071* | |
C13 | 0.9430 (4) | 0.68390 (10) | 0.77048 (17) | 0.0436 (7) | |
C14 | 0.9185 (4) | 0.72121 (11) | 0.70689 (19) | 0.0567 (8) | |
H14 | 0.8139 | 0.7234 | 0.6588 | 0.068* | |
C15 | 1.0473 (5) | 0.75548 (13) | 0.7134 (2) | 0.0728 (10) | |
H15 | 1.0275 | 0.7811 | 0.6706 | 0.087* | |
C16 | 1.2017 (5) | 0.75235 (13) | 0.7811 (2) | 0.0675 (9) | |
H16 | 1.2887 | 0.7752 | 0.7841 | 0.081* | |
C17 | 1.2296 (5) | 0.71564 (13) | 0.8449 (2) | 0.0748 (10) | |
H17 | 1.3360 | 0.7135 | 0.8917 | 0.090* | |
C18 | 1.1006 (5) | 0.68125 (11) | 0.8409 (2) | 0.0644 (9) | |
H18 | 1.1201 | 0.6565 | 0.8853 | 0.077* | |
C19 | 0.7185 (4) | 0.64963 (10) | 0.86238 (16) | 0.0439 (7) | |
C20 | 0.6164 (5) | 0.61416 (12) | 0.8809 (2) | 0.0696 (10) | |
H20 | 0.5768 | 0.5861 | 0.8432 | 0.084* | |
C21 | 0.5716 (6) | 0.61989 (16) | 0.9556 (3) | 0.0899 (13) | |
H21 | 0.5045 | 0.5952 | 0.9687 | 0.108* | |
C22 | 0.6252 (6) | 0.66120 (18) | 1.0093 (2) | 0.0871 (13) | |
H22 | 0.5958 | 0.6649 | 1.0596 | 0.105* | |
C23 | 0.7219 (5) | 0.69723 (17) | 0.9894 (2) | 0.0858 (12) | |
H23 | 0.7564 | 0.7260 | 1.0258 | 0.103* | |
C24 | 0.7701 (4) | 0.69196 (12) | 0.91628 (19) | 0.0630 (9) | |
H24 | 0.8371 | 0.7169 | 0.9036 | 0.076* | |
C25 | 0.8293 (4) | 0.57607 (11) | 0.75810 (19) | 0.0592 (8) | |
H25A | 0.7297 | 0.5548 | 0.7498 | 0.071* | |
H25B | 0.8591 | 0.5719 | 0.7054 | 0.071* | |
C26 | 0.9789 (4) | 0.55681 (10) | 0.8402 (2) | 0.0618 (9) | |
H26A | 1.0857 | 0.5708 | 0.8395 | 0.074* | |
H26B | 0.9646 | 0.5686 | 0.8945 | 0.074* | |
C27 | 0.9891 (5) | 0.49919 (11) | 0.8416 (2) | 0.0736 (10) | |
H27A | 0.8842 | 0.4854 | 0.8451 | 0.088* | |
H27B | 0.9969 | 0.4874 | 0.7857 | 0.088* | |
C28 | 1.1386 (5) | 0.47927 (14) | 0.9182 (3) | 0.0955 (13) | |
H28A | 1.2432 | 0.4897 | 0.9114 | 0.143* | |
H28B | 1.1334 | 0.4426 | 0.9190 | 0.143* | |
H28C | 1.1359 | 0.4926 | 0.9735 | 0.143* | |
P1 | 0.77160 (10) | 0.64139 (3) | 0.76456 (5) | 0.04445 (19) | |
S1 | −0.34667 (12) | 0.69135 (3) | 0.25693 (6) | 0.0697 (3) | |
S2 | −0.08183 (11) | 0.60972 (3) | 0.30890 (5) | 0.0574 (2) | |
S3 | −0.17340 (12) | 0.65798 (3) | 0.44609 (6) | 0.0633 (2) | |
S4 | 0.16677 (11) | 0.53786 (3) | 0.44209 (5) | 0.0534 (2) | |
S5 | 0.06871 (12) | 0.59105 (3) | 0.59231 (5) | 0.0581 (2) | |
S6 | 0.41536 (11) | 0.47175 (3) | 0.57997 (5) | 0.0534 (2) | |
S7 | 0.30684 (11) | 0.52120 (3) | 0.72886 (5) | 0.0561 (2) | |
S8 | 0.65329 (11) | 0.40245 (3) | 0.72520 (5) | 0.0528 (2) | |
S9 | 0.54827 (12) | 0.44657 (3) | 0.86065 (5) | 0.0594 (2) | |
S10 | 0.80317 (14) | 0.36245 (4) | 0.91173 (5) | 0.0769 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ni1 | 0.0467 (2) | 0.0450 (2) | 0.0431 (2) | 0.00036 (18) | 0.02037 (18) | 0.00212 (16) |
C1 | 0.0478 (18) | 0.0520 (17) | 0.0635 (19) | −0.0071 (15) | 0.0233 (16) | 0.0087 (14) |
C2 | 0.0452 (18) | 0.0453 (16) | 0.0602 (18) | 0.0018 (14) | 0.0241 (15) | 0.0122 (14) |
C3 | 0.0419 (17) | 0.0457 (15) | 0.0488 (16) | −0.0049 (14) | 0.0147 (14) | 0.0041 (13) |
C4 | 0.0438 (17) | 0.0485 (16) | 0.0377 (14) | −0.0024 (14) | 0.0155 (13) | 0.0046 (12) |
C5 | 0.0433 (16) | 0.0420 (14) | 0.0399 (14) | −0.0007 (13) | 0.0148 (13) | 0.0044 (12) |
C6 | 0.057 (2) | 0.0560 (17) | 0.0455 (16) | −0.0021 (16) | 0.0205 (15) | 0.0014 (13) |
C7 | 0.0536 (18) | 0.0499 (16) | 0.0357 (15) | −0.0107 (15) | 0.0207 (14) | −0.0070 (12) |
C8 | 0.073 (2) | 0.084 (2) | 0.0473 (18) | 0.009 (2) | 0.0260 (18) | −0.0112 (17) |
C9 | 0.081 (3) | 0.107 (3) | 0.0404 (19) | −0.010 (2) | 0.0202 (19) | −0.0147 (19) |
C10 | 0.061 (2) | 0.091 (3) | 0.0481 (19) | −0.013 (2) | 0.0109 (17) | 0.0093 (18) |
C11 | 0.065 (2) | 0.081 (2) | 0.061 (2) | 0.013 (2) | 0.0142 (19) | 0.0015 (18) |
C12 | 0.067 (2) | 0.066 (2) | 0.0431 (17) | 0.0045 (18) | 0.0175 (16) | −0.0069 (15) |
C13 | 0.0480 (18) | 0.0436 (15) | 0.0405 (15) | 0.0016 (14) | 0.0179 (14) | −0.0035 (12) |
C14 | 0.0492 (19) | 0.068 (2) | 0.0521 (18) | −0.0032 (17) | 0.0173 (15) | 0.0139 (15) |
C15 | 0.067 (3) | 0.077 (2) | 0.076 (2) | −0.012 (2) | 0.029 (2) | 0.0198 (19) |
C16 | 0.055 (2) | 0.065 (2) | 0.089 (3) | −0.0113 (19) | 0.034 (2) | −0.0068 (19) |
C17 | 0.050 (2) | 0.068 (2) | 0.088 (3) | 0.0005 (19) | 0.0035 (19) | −0.008 (2) |
C18 | 0.068 (2) | 0.0499 (18) | 0.064 (2) | −0.0033 (18) | 0.0108 (18) | 0.0055 (16) |
C19 | 0.0554 (19) | 0.0457 (15) | 0.0302 (14) | 0.0073 (15) | 0.0153 (13) | 0.0026 (12) |
C20 | 0.097 (3) | 0.061 (2) | 0.070 (2) | −0.002 (2) | 0.053 (2) | 0.0019 (16) |
C21 | 0.115 (4) | 0.097 (3) | 0.088 (3) | 0.027 (3) | 0.073 (3) | 0.037 (2) |
C22 | 0.096 (3) | 0.133 (4) | 0.040 (2) | 0.040 (3) | 0.035 (2) | 0.014 (2) |
C23 | 0.087 (3) | 0.121 (3) | 0.048 (2) | 0.012 (3) | 0.023 (2) | −0.029 (2) |
C24 | 0.068 (2) | 0.072 (2) | 0.0483 (18) | −0.0009 (19) | 0.0205 (17) | −0.0155 (16) |
C25 | 0.076 (2) | 0.0514 (18) | 0.0595 (19) | 0.0003 (18) | 0.0364 (19) | −0.0038 (15) |
C26 | 0.068 (2) | 0.0470 (17) | 0.077 (2) | 0.0024 (17) | 0.0342 (19) | −0.0058 (16) |
C27 | 0.082 (3) | 0.054 (2) | 0.093 (3) | 0.002 (2) | 0.042 (2) | 0.0097 (18) |
C28 | 0.102 (3) | 0.091 (3) | 0.099 (3) | 0.032 (3) | 0.044 (3) | 0.036 (2) |
P1 | 0.0560 (5) | 0.0436 (4) | 0.0385 (4) | −0.0027 (4) | 0.0230 (4) | −0.0039 (3) |
S1 | 0.0628 (6) | 0.0647 (5) | 0.0740 (6) | 0.0091 (5) | 0.0164 (5) | 0.0190 (4) |
S2 | 0.0587 (5) | 0.0607 (5) | 0.0484 (4) | 0.0067 (4) | 0.0147 (4) | 0.0041 (4) |
S3 | 0.0674 (6) | 0.0626 (5) | 0.0696 (5) | 0.0192 (5) | 0.0365 (5) | 0.0151 (4) |
S4 | 0.0586 (5) | 0.0572 (4) | 0.0439 (4) | 0.0121 (4) | 0.0183 (4) | 0.0006 (3) |
S5 | 0.0684 (6) | 0.0626 (5) | 0.0528 (5) | 0.0156 (4) | 0.0334 (4) | 0.0089 (4) |
S6 | 0.0670 (5) | 0.0586 (5) | 0.0382 (4) | 0.0158 (4) | 0.0239 (4) | 0.0047 (3) |
S7 | 0.0660 (5) | 0.0639 (5) | 0.0457 (4) | 0.0145 (4) | 0.0292 (4) | 0.0031 (3) |
S8 | 0.0613 (5) | 0.0552 (4) | 0.0425 (4) | 0.0096 (4) | 0.0198 (4) | 0.0014 (3) |
S9 | 0.0688 (6) | 0.0751 (5) | 0.0396 (4) | 0.0120 (5) | 0.0260 (4) | 0.0085 (4) |
S10 | 0.0909 (7) | 0.0814 (6) | 0.0511 (5) | 0.0264 (6) | 0.0177 (5) | 0.0159 (4) |
Ni1—S6 | 2.1543 (8) | C14—C15 | 1.377 (4) |
Ni1—S7 | 2.1580 (8) | C14—H14 | 0.9300 |
Ni1—S4 | 2.1618 (8) | C15—C16 | 1.347 (5) |
Ni1—S5 | 2.1634 (9) | C15—H15 | 0.9300 |
C1—S1 | 1.642 (3) | C16—C17 | 1.359 (4) |
C1—S2 | 1.723 (3) | C16—H16 | 0.9300 |
C1—S3 | 1.724 (3) | C17—C18 | 1.389 (4) |
C2—C3 | 1.362 (4) | C17—H17 | 0.9300 |
C2—S5 | 1.705 (3) | C18—H18 | 0.9300 |
C2—S3 | 1.738 (3) | C19—C20 | 1.367 (4) |
C3—S4 | 1.704 (3) | C19—C24 | 1.372 (4) |
C3—S2 | 1.740 (3) | C19—P1 | 1.791 (3) |
C4—C5 | 1.345 (3) | C20—C21 | 1.387 (4) |
C4—S7 | 1.716 (3) | C20—H20 | 0.9300 |
C4—S9 | 1.737 (3) | C21—C22 | 1.351 (5) |
C5—S6 | 1.714 (3) | C21—H21 | 0.9300 |
C5—S8 | 1.749 (3) | C22—C23 | 1.355 (5) |
C6—S10 | 1.632 (3) | C22—H22 | 0.9300 |
C6—S9 | 1.723 (3) | C23—C24 | 1.379 (4) |
C6—S8 | 1.732 (3) | C23—H23 | 0.9300 |
C7—C12 | 1.368 (4) | C24—H24 | 0.9300 |
C7—C8 | 1.380 (4) | C25—C26 | 1.528 (4) |
C7—P1 | 1.785 (3) | C25—P1 | 1.790 (3) |
C8—C9 | 1.378 (4) | C25—H25A | 0.9700 |
C8—H8 | 0.9300 | C25—H25B | 0.9700 |
C9—C10 | 1.345 (5) | C26—C27 | 1.510 (4) |
C9—H9 | 0.9300 | C26—H26A | 0.9700 |
C10—C11 | 1.351 (4) | C26—H26B | 0.9700 |
C10—H10 | 0.9300 | C27—C28 | 1.486 (5) |
C11—C12 | 1.390 (4) | C27—H27A | 0.9700 |
C11—H11 | 0.9300 | C27—H27B | 0.9700 |
C12—H12 | 0.9300 | C28—H28A | 0.9600 |
C13—C14 | 1.370 (3) | C28—H28B | 0.9600 |
C13—C18 | 1.385 (4) | C28—H28C | 0.9600 |
C13—P1 | 1.790 (3) | ||
S6—Ni1—S7 | 92.97 (3) | C13—C18—H18 | 120.1 |
S6—Ni1—S4 | 86.86 (3) | C17—C18—H18 | 120.1 |
S7—Ni1—S4 | 177.79 (4) | C20—C19—C24 | 119.3 (3) |
S6—Ni1—S5 | 178.83 (4) | C20—C19—P1 | 119.0 (2) |
S7—Ni1—S5 | 87.17 (3) | C24—C19—P1 | 121.6 (2) |
S4—Ni1—S5 | 93.05 (3) | C19—C20—C21 | 120.2 (3) |
S1—C1—S2 | 123.75 (18) | C19—C20—H20 | 119.9 |
S1—C1—S3 | 123.40 (19) | C21—C20—H20 | 119.9 |
S2—C1—S3 | 112.84 (17) | C22—C21—C20 | 120.2 (4) |
C3—C2—S5 | 121.4 (2) | C22—C21—H21 | 119.9 |
C3—C2—S3 | 115.6 (2) | C20—C21—H21 | 119.9 |
S5—C2—S3 | 122.92 (18) | C21—C22—C23 | 119.6 (3) |
C2—C3—S4 | 121.4 (2) | C21—C22—H22 | 120.2 |
C2—C3—S2 | 115.9 (2) | C23—C22—H22 | 120.2 |
S4—C3—S2 | 122.76 (17) | C22—C23—C24 | 121.1 (4) |
C5—C4—S7 | 121.0 (2) | C22—C23—H23 | 119.4 |
C5—C4—S9 | 116.1 (2) | C24—C23—H23 | 119.4 |
S7—C4—S9 | 122.92 (16) | C19—C24—C23 | 119.4 (3) |
C4—C5—S6 | 121.6 (2) | C19—C24—H24 | 120.3 |
C4—C5—S8 | 115.7 (2) | C23—C24—H24 | 120.3 |
S6—C5—S8 | 122.74 (16) | C26—C25—P1 | 114.7 (2) |
S10—C6—S9 | 124.05 (17) | C26—C25—H25A | 108.6 |
S10—C6—S8 | 123.85 (18) | P1—C25—H25A | 108.6 |
S9—C6—S8 | 112.09 (16) | C26—C25—H25B | 108.6 |
C12—C7—C8 | 118.5 (3) | P1—C25—H25B | 108.6 |
C12—C7—P1 | 120.7 (2) | H25A—C25—H25B | 107.6 |
C8—C7—P1 | 120.6 (2) | C27—C26—C25 | 111.4 (3) |
C9—C8—C7 | 120.0 (3) | C27—C26—H26A | 109.3 |
C9—C8—H8 | 120.0 | C25—C26—H26A | 109.3 |
C7—C8—H8 | 120.0 | C27—C26—H26B | 109.3 |
C10—C9—C8 | 120.8 (3) | C25—C26—H26B | 109.3 |
C10—C9—H9 | 119.6 | H26A—C26—H26B | 108.0 |
C8—C9—H9 | 119.6 | C28—C27—C26 | 112.8 (3) |
C9—C10—C11 | 120.4 (3) | C28—C27—H27A | 109.0 |
C9—C10—H10 | 119.8 | C26—C27—H27A | 109.0 |
C11—C10—H10 | 119.8 | C28—C27—H27B | 109.0 |
C10—C11—C12 | 119.7 (3) | C26—C27—H27B | 109.0 |
C10—C11—H11 | 120.2 | H27A—C27—H27B | 107.8 |
C12—C11—H11 | 120.2 | C27—C28—H28A | 109.5 |
C7—C12—C11 | 120.7 (3) | C27—C28—H28B | 109.5 |
C7—C12—H12 | 119.7 | H28A—C28—H28B | 109.5 |
C11—C12—H12 | 119.7 | C27—C28—H28C | 109.5 |
C14—C13—C18 | 118.4 (3) | H28A—C28—H28C | 109.5 |
C14—C13—P1 | 120.5 (2) | H28B—C28—H28C | 109.5 |
C18—C13—P1 | 121.1 (2) | C7—P1—C25 | 109.18 (14) |
C13—C14—C15 | 120.7 (3) | C7—P1—C13 | 108.69 (13) |
C13—C14—H14 | 119.7 | C25—P1—C13 | 111.63 (15) |
C15—C14—H14 | 119.7 | C7—P1—C19 | 108.98 (13) |
C16—C15—C14 | 120.9 (3) | C25—P1—C19 | 108.96 (13) |
C16—C15—H15 | 119.6 | C13—P1—C19 | 109.36 (13) |
C14—C15—H15 | 119.6 | C1—S2—C3 | 97.77 (14) |
C15—C16—C17 | 119.6 (3) | C1—S3—C2 | 97.90 (14) |
C15—C16—H16 | 120.2 | C3—S4—Ni1 | 102.10 (10) |
C17—C16—H16 | 120.2 | C2—S5—Ni1 | 102.01 (10) |
C16—C17—C18 | 120.6 (3) | C5—S6—Ni1 | 102.16 (10) |
C16—C17—H17 | 119.7 | C4—S7—Ni1 | 102.27 (9) |
C18—C17—H17 | 119.7 | C6—S8—C5 | 97.85 (13) |
C13—C18—C17 | 119.7 (3) | C6—S9—C4 | 98.30 (13) |
S5—C2—C3—S4 | 1.1 (4) | C18—C13—P1—C7 | 178.7 (2) |
S3—C2—C3—S4 | 179.92 (15) | C14—C13—P1—C25 | 121.6 (2) |
S5—C2—C3—S2 | −179.09 (15) | C18—C13—P1—C25 | −60.9 (3) |
S3—C2—C3—S2 | −0.3 (3) | C14—C13—P1—C19 | −117.7 (2) |
S7—C4—C5—S6 | −0.6 (3) | C18—C13—P1—C19 | 59.8 (3) |
S9—C4—C5—S6 | 178.28 (15) | C20—C19—P1—C7 | 74.5 (3) |
S7—C4—C5—S8 | 179.69 (15) | C24—C19—P1—C7 | −101.9 (3) |
S9—C4—C5—S8 | −1.4 (3) | C20—C19—P1—C25 | −44.5 (3) |
C12—C7—C8—C9 | 0.1 (5) | C24—C19—P1—C25 | 139.0 (3) |
P1—C7—C8—C9 | −174.7 (3) | C20—C19—P1—C13 | −166.8 (2) |
C7—C8—C9—C10 | 0.5 (6) | C24—C19—P1—C13 | 16.8 (3) |
C8—C9—C10—C11 | −0.7 (6) | S1—C1—S2—C3 | −177.48 (19) |
C9—C10—C11—C12 | 0.3 (5) | S3—C1—S2—C3 | 1.30 (19) |
C8—C7—C12—C11 | −0.4 (5) | C2—C3—S2—C1 | −0.6 (3) |
P1—C7—C12—C11 | 174.3 (3) | S4—C3—S2—C1 | 179.15 (18) |
C10—C11—C12—C7 | 0.3 (5) | S1—C1—S3—C2 | 177.3 (2) |
C18—C13—C14—C15 | −0.6 (5) | S2—C1—S3—C2 | −1.44 (19) |
P1—C13—C14—C15 | 177.0 (2) | C3—C2—S3—C1 | 1.1 (3) |
C13—C14—C15—C16 | 1.7 (5) | S5—C2—S3—C1 | 179.83 (19) |
C14—C15—C16—C17 | −1.5 (6) | C2—C3—S4—Ni1 | −1.1 (3) |
C15—C16—C17—C18 | 0.2 (5) | S2—C3—S4—Ni1 | 179.13 (15) |
C14—C13—C18—C17 | −0.7 (5) | S6—Ni1—S4—C3 | −178.22 (10) |
P1—C13—C18—C17 | −178.3 (2) | S5—Ni1—S4—C3 | 0.62 (10) |
C16—C17—C18—C13 | 1.0 (5) | C3—C2—S5—Ni1 | −0.5 (3) |
C24—C19—C20—C21 | −2.7 (5) | S3—C2—S5—Ni1 | −179.16 (16) |
P1—C19—C20—C21 | −179.3 (3) | S7—Ni1—S5—C2 | −177.98 (10) |
C19—C20—C21—C22 | 1.6 (6) | S4—Ni1—S5—C2 | −0.18 (10) |
C20—C21—C22—C23 | 0.5 (6) | C4—C5—S6—Ni1 | −0.3 (3) |
C21—C22—C23—C24 | −1.5 (6) | S8—C5—S6—Ni1 | 179.36 (14) |
C20—C19—C24—C23 | 1.7 (5) | S7—Ni1—S6—C5 | 0.81 (10) |
P1—C19—C24—C23 | 178.2 (3) | S4—Ni1—S6—C5 | −176.99 (10) |
C22—C23—C24—C19 | 0.3 (6) | C5—C4—S7—Ni1 | 1.2 (2) |
P1—C25—C26—C27 | 164.6 (2) | S9—C4—S7—Ni1 | −177.65 (15) |
C25—C26—C27—C28 | 177.1 (3) | S6—Ni1—S7—C4 | −1.05 (10) |
C12—C7—P1—C25 | 147.8 (2) | S5—Ni1—S7—C4 | −179.88 (10) |
C8—C7—P1—C25 | −37.5 (3) | S10—C6—S8—C5 | 179.9 (2) |
C12—C7—P1—C13 | −90.2 (3) | S9—C6—S8—C5 | −0.80 (19) |
C8—C7—P1—C13 | 84.5 (3) | C4—C5—S8—C6 | 1.3 (2) |
C12—C7—P1—C19 | 28.9 (3) | S6—C5—S8—C6 | −178.34 (18) |
C8—C7—P1—C19 | −156.4 (2) | S10—C6—S9—C4 | 179.5 (2) |
C26—C25—P1—C7 | −176.6 (2) | S8—C6—S9—C4 | 0.2 (2) |
C26—C25—P1—C13 | 63.2 (3) | C5—C4—S9—C6 | 0.7 (3) |
C26—C25—P1—C19 | −57.7 (3) | S7—C4—S9—C6 | 179.62 (18) |
C14—C13—P1—C7 | 1.2 (3) |
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