Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806045703/at2144sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806045703/at2144Isup2.hkl |
CCDC reference: 629403
Data collection: SMART (Bruker, 1997); cell refinement: SMART; data reduction: SAINT (Bruker, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.
[PdCl2(C14H10N2S)2] | Z = 2 |
Mr = 653.90 | F(000) = 656 |
Triclinic, P1 | Dx = 1.617 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 10.228 (2) Å | Cell parameters from 5726 reflections |
b = 10.599 (3) Å | θ = 2.6–26.0° |
c = 14.095 (3) Å | µ = 1.07 mm−1 |
α = 86.469 (5)° | T = 168 K |
β = 86.684 (7)° | Plate, yellow |
γ = 61.745 (4)° | 0.45 × 0.25 × 0.06 mm |
V = 1342.7 (5) Å3 |
Bruker SMART CCD area-detector diffractometer | 4579 independent reflections |
Radiation source: fine-focus sealed tube | 3417 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.029 |
Detector resolution: 8.192 pixels mm-1 | θmax = 25.1°, θmin = 2.2° |
φ and ω scans | h = −12→11 |
Absorption correction: multi-scan (SADABS; Sheldrick, 2002) | k = −12→12 |
Tmin = 0.776, Tmax = 0.938 | l = −16→16 |
14799 measured reflections |
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) = 0.078 | H-atom parameters constrained |
S = 0.96 | w = 1/[σ2(Fo2) + (0.0462P)2] where P = (Fo2 + 2Fc2)/3 |
4579 reflections | (Δ/σ)max < 0.001 |
337 parameters | Δρmax = 0.70 e Å−3 |
0 restraints | Δρmin = −0.87 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 | ||
Pd1 | 0.0000 | 0.5000 | 0.0000 | 0.02479 (11) | |
Pd2 | 0.5000 | 0.5000 | 0.5000 | 0.03150 (12) | |
Cl1 | −0.07701 (10) | 0.33850 (9) | 0.06163 (6) | 0.0357 (2) | |
Cl2 | 0.45586 (11) | 0.32029 (10) | 0.45153 (6) | 0.0437 (2) | |
S1 | 0.31597 (11) | 0.35341 (10) | 0.24105 (7) | 0.0381 (2) | |
S1' | 0.05842 (10) | 0.82253 (10) | 0.38350 (7) | 0.0344 (2) | |
C2 | 0.1492 (4) | 0.4477 (3) | 0.1874 (2) | 0.0270 (8) | |
C2' | 0.2458 (4) | 0.7045 (3) | 0.3757 (2) | 0.0283 (8) | |
N3 | 0.1600 (3) | 0.4237 (3) | 0.09600 (19) | 0.0275 (6) | |
N3' | 0.2977 (3) | 0.6478 (3) | 0.4602 (2) | 0.0336 (7) | |
N4 | 0.2997 (3) | 0.3287 (3) | 0.0637 (2) | 0.0302 (7) | |
N4' | 0.1955 (3) | 0.6948 (3) | 0.5353 (2) | 0.0369 (7) | |
C5 | 0.3928 (4) | 0.2834 (3) | 0.1328 (2) | 0.0287 (8) | |
C5' | 0.0636 (4) | 0.7875 (3) | 0.5054 (2) | 0.0308 (8) | |
C21 | 0.0147 (4) | 0.5438 (4) | 0.2408 (2) | 0.0300 (8) | |
C21' | 0.3304 (4) | 0.6720 (3) | 0.2855 (2) | 0.0286 (8) | |
C22 | −0.0029 (5) | 0.5122 (4) | 0.3370 (3) | 0.0421 (10) | |
H22 | 0.0726 | 0.4292 | 0.3674 | 0.051* | |
C22' | 0.2570 (4) | 0.7021 (4) | 0.1996 (3) | 0.0361 (9) | |
H22' | 0.1516 | 0.7484 | 0.2004 | 0.043* | |
C23 | −0.1303 (5) | 0.6016 (5) | 0.3880 (3) | 0.0511 (11) | |
H23 | −0.1431 | 0.5782 | 0.4528 | 0.061* | |
C23' | 0.3353 (5) | 0.6657 (4) | 0.1140 (3) | 0.0441 (10) | |
H23' | 0.2841 | 0.6859 | 0.0563 | 0.053* | |
C24 | −0.2378 (5) | 0.7236 (5) | 0.3454 (3) | 0.0507 (11) | |
H24 | −0.3248 | 0.7844 | 0.3810 | 0.061* | |
C24' | 0.4879 (5) | 0.5999 (4) | 0.1125 (3) | 0.0435 (10) | |
H24' | 0.5418 | 0.5731 | 0.0535 | 0.052* | |
C25 | −0.2208 (4) | 0.7586 (4) | 0.2514 (3) | 0.0457 (10) | |
H25 | −0.2948 | 0.8444 | 0.2226 | 0.055* | |
C25' | 0.5630 (5) | 0.5726 (4) | 0.1944 (3) | 0.0408 (9) | |
H25' | 0.6684 | 0.5289 | 0.1922 | 0.049* | |
C26 | −0.0953 (4) | 0.6683 (4) | 0.1988 (3) | 0.0352 (9) | |
H26 | −0.0844 | 0.6918 | 0.1337 | 0.042* | |
C26' | 0.4852 (4) | 0.6088 (4) | 0.2812 (2) | 0.0347 (9) | |
H26' | 0.5378 | 0.5904 | 0.3381 | 0.042* | |
C51 | 0.5519 (4) | 0.1822 (4) | 0.1196 (3) | 0.0345 (9) | |
C51' | −0.0656 (4) | 0.8551 (3) | 0.5712 (3) | 0.0316 (8) | |
C52 | 0.6000 (4) | 0.0962 (4) | 0.0420 (3) | 0.0465 (10) | |
H52 | 0.5297 | 0.1014 | −0.0013 | 0.056* | |
C52' | −0.2052 (4) | 0.9498 (4) | 0.5394 (3) | 0.0413 (10) | |
H52' | −0.2205 | 0.9699 | 0.4731 | 0.050* | |
C53 | 0.7504 (5) | 0.0020 (5) | 0.0261 (4) | 0.0613 (13) | |
H53 | 0.7820 | −0.0575 | −0.0271 | 0.074* | |
C53' | −0.3225 (4) | 1.0153 (4) | 0.6039 (3) | 0.0505 (11) | |
H53' | −0.4182 | 1.0805 | 0.5816 | 0.061* | |
C54 | 0.8511 (5) | −0.0042 (5) | 0.0873 (4) | 0.0602 (13) | |
H54 | 0.9536 | −0.0676 | 0.0760 | 0.072* | |
C54' | −0.3017 (5) | 0.9868 (4) | 0.7003 (3) | 0.0492 (11) | |
H54' | −0.3827 | 1.0320 | 0.7443 | 0.059* | |
C55 | 0.8071 (5) | 0.0798 (5) | 0.1650 (4) | 0.0627 (14) | |
H55 | 0.8793 | 0.0744 | 0.2069 | 0.075* | |
C55' | −0.1620 (5) | 0.8920 (4) | 0.7322 (3) | 0.0436 (10) | |
H55' | −0.1474 | 0.8723 | 0.7985 | 0.052* | |
C56 | 0.6557 (5) | 0.1741 (4) | 0.1832 (4) | 0.0542 (12) | |
H56 | 0.6247 | 0.2311 | 0.2376 | 0.065* | |
C56' | −0.0447 (4) | 0.8262 (4) | 0.6693 (3) | 0.0354 (9) | |
H56' | 0.0507 | 0.7610 | 0.6920 | 0.042* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pd1 | 0.0232 (2) | 0.0287 (2) | 0.02185 (19) | −0.01170 (17) | −0.00288 (16) | 0.00040 (16) |
Pd2 | 0.0268 (2) | 0.0368 (2) | 0.0219 (2) | −0.00792 (18) | −0.00040 (17) | 0.00105 (17) |
Cl1 | 0.0355 (5) | 0.0392 (5) | 0.0375 (5) | −0.0222 (4) | −0.0057 (4) | 0.0067 (4) |
Cl2 | 0.0502 (6) | 0.0470 (6) | 0.0318 (5) | −0.0209 (5) | −0.0071 (5) | 0.0001 (4) |
S1 | 0.0431 (6) | 0.0329 (5) | 0.0366 (5) | −0.0155 (5) | −0.0111 (5) | −0.0005 (4) |
S1' | 0.0315 (5) | 0.0346 (5) | 0.0360 (5) | −0.0147 (4) | −0.0039 (4) | 0.0014 (4) |
C2 | 0.035 (2) | 0.0226 (17) | 0.0272 (18) | −0.0163 (16) | −0.0041 (16) | −0.0001 (15) |
C2' | 0.0278 (19) | 0.0264 (18) | 0.0338 (19) | −0.0152 (16) | −0.0060 (16) | 0.0029 (15) |
N3 | 0.0282 (16) | 0.0258 (15) | 0.0293 (15) | −0.0133 (13) | −0.0017 (14) | −0.0005 (13) |
N3' | 0.0275 (17) | 0.0384 (17) | 0.0304 (16) | −0.0122 (14) | 0.0035 (14) | −0.0031 (14) |
N4 | 0.0261 (17) | 0.0328 (16) | 0.0318 (16) | −0.0139 (14) | −0.0036 (14) | 0.0007 (13) |
N4' | 0.0324 (18) | 0.0400 (18) | 0.0317 (17) | −0.0121 (15) | 0.0029 (15) | −0.0018 (14) |
C5 | 0.033 (2) | 0.0231 (18) | 0.0324 (19) | −0.0148 (16) | −0.0063 (17) | 0.0022 (15) |
C5' | 0.033 (2) | 0.0273 (19) | 0.0327 (19) | −0.0148 (17) | −0.0022 (17) | 0.0001 (16) |
C21 | 0.039 (2) | 0.0282 (18) | 0.0300 (18) | −0.0213 (17) | 0.0008 (17) | −0.0064 (16) |
C21' | 0.036 (2) | 0.0280 (18) | 0.0269 (18) | −0.0199 (17) | −0.0006 (17) | 0.0007 (15) |
C22 | 0.062 (3) | 0.038 (2) | 0.034 (2) | −0.029 (2) | 0.004 (2) | −0.0051 (18) |
C22' | 0.039 (2) | 0.041 (2) | 0.038 (2) | −0.0261 (19) | −0.0093 (18) | 0.0054 (18) |
C23 | 0.074 (3) | 0.057 (3) | 0.038 (2) | −0.045 (3) | 0.019 (2) | −0.012 (2) |
C23' | 0.067 (3) | 0.061 (3) | 0.0243 (19) | −0.047 (2) | −0.009 (2) | 0.0078 (19) |
C24 | 0.043 (3) | 0.063 (3) | 0.058 (3) | −0.035 (2) | 0.024 (2) | −0.028 (2) |
C24' | 0.059 (3) | 0.055 (3) | 0.030 (2) | −0.038 (2) | 0.011 (2) | −0.0100 (19) |
C25 | 0.031 (2) | 0.049 (2) | 0.057 (3) | −0.0183 (19) | 0.004 (2) | −0.012 (2) |
C25' | 0.044 (2) | 0.045 (2) | 0.037 (2) | −0.025 (2) | 0.0107 (19) | −0.0053 (18) |
C26 | 0.034 (2) | 0.040 (2) | 0.035 (2) | −0.0193 (18) | 0.0008 (18) | −0.0066 (17) |
C26' | 0.038 (2) | 0.043 (2) | 0.0297 (19) | −0.0241 (19) | −0.0069 (18) | 0.0031 (17) |
C51 | 0.026 (2) | 0.0278 (19) | 0.053 (2) | −0.0158 (16) | −0.0108 (19) | 0.0103 (18) |
C51' | 0.029 (2) | 0.0238 (18) | 0.042 (2) | −0.0127 (16) | 0.0022 (18) | −0.0028 (16) |
C52 | 0.037 (2) | 0.044 (2) | 0.049 (2) | −0.012 (2) | −0.003 (2) | 0.004 (2) |
C52' | 0.037 (2) | 0.039 (2) | 0.044 (2) | −0.0148 (19) | 0.000 (2) | 0.0012 (19) |
C53 | 0.053 (3) | 0.048 (3) | 0.060 (3) | −0.007 (2) | 0.009 (3) | 0.006 (2) |
C53' | 0.029 (2) | 0.040 (2) | 0.070 (3) | −0.0064 (19) | 0.001 (2) | 0.002 (2) |
C54 | 0.035 (3) | 0.044 (3) | 0.091 (4) | −0.012 (2) | 0.001 (3) | 0.018 (3) |
C54' | 0.041 (3) | 0.039 (2) | 0.061 (3) | −0.016 (2) | 0.021 (2) | −0.008 (2) |
C55 | 0.038 (3) | 0.051 (3) | 0.107 (4) | −0.027 (2) | −0.031 (3) | 0.020 (3) |
C55' | 0.051 (3) | 0.036 (2) | 0.042 (2) | −0.020 (2) | 0.008 (2) | −0.0043 (19) |
C56 | 0.045 (3) | 0.033 (2) | 0.087 (3) | −0.018 (2) | −0.027 (2) | 0.004 (2) |
C56' | 0.034 (2) | 0.0283 (19) | 0.040 (2) | −0.0116 (17) | −0.0002 (19) | −0.0003 (17) |
Pd1—N3i | 2.008 (3) | C23'—H23' | 0.9500 |
Pd1—N3 | 2.008 (3) | C24—C25 | 1.379 (6) |
Pd1—Cl1 | 2.3064 (9) | C24—H24 | 0.9500 |
Pd1—Cl1i | 2.3064 (9) | C24'—C25' | 1.363 (5) |
Pd2—N3'ii | 2.002 (3) | C24'—H24' | 0.9500 |
Pd2—N3' | 2.002 (3) | C25—C26 | 1.388 (5) |
Pd2—Cl2 | 2.3042 (10) | C25—H25 | 0.9500 |
Pd2—Cl2ii | 2.3042 (10) | C25'—C26' | 1.391 (5) |
S1—C2 | 1.710 (3) | C25'—H25' | 0.9500 |
S1—C5 | 1.716 (4) | C26—H26 | 0.9500 |
S1'—C2' | 1.724 (4) | C26'—H26' | 0.9500 |
S1'—C5' | 1.734 (3) | C51—C52 | 1.381 (5) |
C2—N3 | 1.317 (4) | C51—C56 | 1.397 (5) |
C2—C21 | 1.464 (5) | C51'—C52' | 1.381 (5) |
C2'—N3' | 1.320 (4) | C51'—C56' | 1.404 (5) |
C2'—C21' | 1.459 (5) | C52—C53 | 1.395 (6) |
N3—N4 | 1.371 (4) | C52—H52 | 0.9500 |
N3'—N4' | 1.381 (4) | C52'—C53' | 1.383 (6) |
N4—C5 | 1.305 (4) | C52'—H52' | 0.9500 |
N4'—C5' | 1.312 (4) | C53—C54 | 1.357 (6) |
C5—C51 | 1.473 (5) | C53—H53 | 0.9500 |
C5'—C51' | 1.471 (5) | C53'—C54' | 1.380 (6) |
C21—C26 | 1.389 (5) | C53'—H53' | 0.9500 |
C21—C22 | 1.399 (5) | C54—C55 | 1.370 (7) |
C21'—C26' | 1.396 (5) | C54—H54 | 0.9500 |
C21'—C22' | 1.401 (5) | C54'—C55' | 1.384 (5) |
C22—C23 | 1.385 (6) | C54'—H54' | 0.9500 |
C22—H22 | 0.9500 | C55—C56 | 1.409 (6) |
C22'—C23' | 1.378 (5) | C55—H55 | 0.9500 |
C22'—H22' | 0.9500 | C55'—C56' | 1.368 (5) |
C23—C24 | 1.370 (6) | C55'—H55' | 0.9500 |
C23—H23 | 0.9500 | C56—H56 | 0.9500 |
C23'—C24' | 1.375 (5) | C56'—H56' | 0.9500 |
N3i—Pd1—N3 | 180.00 (11) | C23—C24—H24 | 119.8 |
N3i—Pd1—Cl1 | 90.98 (8) | C25—C24—H24 | 119.8 |
N3—Pd1—Cl1 | 89.02 (8) | C25'—C24'—C23' | 120.9 (4) |
N3i—Pd1—Cl1i | 89.02 (8) | C25'—C24'—H24' | 119.5 |
N3—Pd1—Cl1i | 90.98 (8) | C23'—C24'—H24' | 119.5 |
Cl1—Pd1—Cl1i | 180.00 (5) | C24—C25—C26 | 119.8 (4) |
N3'ii—Pd2—N3' | 180.000 (1) | C24—C25—H25 | 120.1 |
N3'ii—Pd2—Cl2 | 89.51 (9) | C26—C25—H25 | 120.1 |
N3'—Pd2—Cl2 | 90.49 (9) | C24'—C25'—C26' | 119.9 (4) |
N3'ii—Pd2—Cl2ii | 90.49 (9) | C24'—C25'—H25' | 120.0 |
N3'—Pd2—Cl2ii | 89.51 (9) | C26'—C25'—H25' | 120.0 |
Cl2—Pd2—Cl2ii | 180.000 (19) | C25—C26—C21 | 120.5 (4) |
C2—S1—C5 | 88.06 (16) | C25—C26—H26 | 119.7 |
C2'—S1'—C5' | 88.66 (17) | C21—C26—H26 | 119.7 |
N3—C2—C21 | 126.5 (3) | C25'—C26'—C21' | 120.6 (3) |
N3—C2—S1 | 112.0 (3) | C25'—C26'—H26' | 119.7 |
C21—C2—S1 | 121.5 (2) | C21'—C26'—H26' | 119.7 |
N3'—C2'—C21' | 126.2 (3) | C52—C51—C56 | 119.3 (4) |
N3'—C2'—S1' | 111.1 (3) | C52—C51—C5 | 119.6 (3) |
C21'—C2'—S1' | 122.7 (2) | C56—C51—C5 | 121.1 (4) |
C2—N3—N4 | 114.7 (3) | C52'—C51'—C56' | 119.4 (4) |
C2—N3—Pd1 | 129.1 (2) | C52'—C51'—C5' | 121.8 (3) |
N4—N3—Pd1 | 116.2 (2) | C56'—C51'—C5' | 118.7 (3) |
C2'—N3'—N4' | 115.6 (3) | C51—C52—C53 | 121.0 (4) |
C2'—N3'—Pd2 | 131.5 (2) | C51—C52—H52 | 119.5 |
N4'—N3'—Pd2 | 113.0 (2) | C53—C52—H52 | 119.5 |
C5—N4—N3 | 110.7 (3) | C53'—C52'—C51' | 120.0 (4) |
C5'—N4'—N3' | 110.8 (3) | C53'—C52'—H52' | 120.0 |
N4—C5—C51 | 123.2 (3) | C51'—C52'—H52' | 120.0 |
N4—C5—S1 | 114.6 (3) | C54—C53—C52 | 119.6 (5) |
C51—C5—S1 | 122.1 (3) | C54—C53—H53 | 120.2 |
N4'—C5'—C51' | 122.0 (3) | C52—C53—H53 | 120.2 |
N4'—C5'—S1' | 113.8 (3) | C52'—C53'—C54' | 120.6 (4) |
C51'—C5'—S1' | 124.2 (3) | C52'—C53'—H53' | 119.7 |
C26—C21—C22 | 118.7 (4) | C54'—C53'—H53' | 119.7 |
C26—C21—C2 | 121.7 (3) | C53—C54—C55 | 120.9 (4) |
C22—C21—C2 | 119.6 (3) | C53—C54—H54 | 119.5 |
C26'—C21'—C22' | 117.8 (3) | C55—C54—H54 | 119.5 |
C26'—C21'—C2' | 122.0 (3) | C53'—C54'—C55' | 119.5 (4) |
C22'—C21'—C2' | 120.2 (3) | C53'—C54'—H54' | 120.3 |
C23—C22—C21 | 120.1 (4) | C55'—C54'—H54' | 120.3 |
C23—C22—H22 | 119.9 | C54—C55—C56 | 120.5 (4) |
C21—C22—H22 | 119.9 | C54—C55—H55 | 119.8 |
C23'—C22'—C21' | 121.1 (4) | C56—C55—H55 | 119.8 |
C23'—C22'—H22' | 119.4 | C56'—C55'—C54' | 120.7 (4) |
C21'—C22'—H22' | 119.4 | C56'—C55'—H55' | 119.6 |
C24—C23—C22 | 120.3 (4) | C54'—C55'—H55' | 119.6 |
C24—C23—H23 | 119.8 | C51—C56—C55 | 118.7 (4) |
C22—C23—H23 | 119.8 | C51—C56—H56 | 120.6 |
C24'—C23'—C22' | 119.6 (3) | C55—C56—H56 | 120.6 |
C24'—C23'—H23' | 120.2 | C55'—C56'—C51' | 119.9 (3) |
C22'—C23'—H23' | 120.2 | C55'—C56'—H56' | 120.1 |
C23—C24—C25 | 120.4 (4) | C51'—C56'—H56' | 120.1 |
C5—S1—C2—N3 | −0.6 (3) | N3'—C2'—C21'—C22' | 159.6 (3) |
C5—S1—C2—C21 | −179.6 (3) | S1'—C2'—C21'—C22' | −18.6 (4) |
C5'—S1'—C2'—N3' | 0.7 (3) | C26—C21—C22—C23 | 2.1 (5) |
C5'—S1'—C2'—C21' | 179.2 (3) | C2—C21—C22—C23 | −179.4 (3) |
C21—C2—N3—N4 | 179.8 (3) | C26'—C21'—C22'—C23' | 2.4 (5) |
S1—C2—N3—N4 | 0.8 (3) | C2'—C21'—C22'—C23' | −176.7 (3) |
C21—C2—N3—Pd1 | −3.2 (5) | C21—C22—C23—C24 | −1.9 (6) |
S1—C2—N3—Pd1 | 177.82 (15) | C21'—C22'—C23'—C24' | −0.6 (5) |
N3i—Pd1—N3—C2 | 69 (100) | C22—C23—C24—C25 | 0.1 (6) |
Cl1—Pd1—N3—C2 | −76.6 (3) | C22'—C23'—C24'—C25' | −1.3 (6) |
Cl1i—Pd1—N3—C2 | 103.4 (3) | C23—C24—C25—C26 | 1.3 (6) |
N3i—Pd1—N3—N4 | −114 (100) | C23'—C24'—C25'—C26' | 1.3 (6) |
Cl1—Pd1—N3—N4 | 100.4 (2) | C24—C25—C26—C21 | −1.1 (5) |
Cl1i—Pd1—N3—N4 | −79.6 (2) | C22—C21—C26—C25 | −0.6 (5) |
C21'—C2'—N3'—N4' | −179.5 (3) | C2—C21—C26—C25 | −179.1 (3) |
S1'—C2'—N3'—N4' | −1.1 (4) | C24'—C25'—C26'—C21' | 0.5 (5) |
C21'—C2'—N3'—Pd2 | −1.1 (5) | C22'—C21'—C26'—C25' | −2.3 (5) |
S1'—C2'—N3'—Pd2 | 177.24 (18) | C2'—C21'—C26'—C25' | 176.8 (3) |
N3'ii—Pd2—N3'—C2' | 173 (100) | N4—C5—C51—C52 | −20.9 (5) |
Cl2—Pd2—N3'—C2' | −78.8 (3) | S1—C5—C51—C52 | 160.2 (3) |
Cl2ii—Pd2—N3'—C2' | 101.2 (3) | N4—C5—C51—C56 | 157.5 (3) |
N3'ii—Pd2—N3'—N4' | −9 (100) | S1—C5—C51—C56 | −21.4 (5) |
Cl2—Pd2—N3'—N4' | 99.6 (2) | N4'—C5'—C51'—C52' | −178.3 (3) |
Cl2ii—Pd2—N3'—N4' | −80.4 (2) | S1'—C5'—C51'—C52' | 2.5 (5) |
C2—N3—N4—C5 | −0.6 (4) | N4'—C5'—C51'—C56' | 4.1 (5) |
Pd1—N3—N4—C5 | −178.0 (2) | S1'—C5'—C51'—C56' | −175.1 (3) |
C2'—N3'—N4'—C5' | 1.0 (4) | C56—C51—C52—C53 | −0.1 (6) |
Pd2—N3'—N4'—C5' | −177.7 (2) | C5—C51—C52—C53 | 178.3 (3) |
N3—N4—C5—C51 | −178.9 (3) | C56'—C51'—C52'—C53' | 0.2 (5) |
N3—N4—C5—S1 | 0.1 (3) | C5'—C51'—C52'—C53' | −177.4 (3) |
C2—S1—C5—N4 | 0.3 (3) | C51—C52—C53—C54 | −0.8 (6) |
C2—S1—C5—C51 | 179.2 (3) | C51'—C52'—C53'—C54' | −0.1 (6) |
N3'—N4'—C5'—C51' | −179.7 (3) | C52—C53—C54—C55 | 0.7 (7) |
N3'—N4'—C5'—S1' | −0.4 (4) | C52'—C53'—C54'—C55' | 0.1 (6) |
C2'—S1'—C5'—N4' | −0.2 (3) | C53—C54—C55—C56 | 0.3 (7) |
C2'—S1'—C5'—C51' | 179.1 (3) | C53'—C54'—C55'—C56' | −0.1 (6) |
N3—C2—C21—C26 | −32.0 (5) | C52—C51—C56—C55 | 1.1 (6) |
S1—C2—C21—C26 | 146.9 (3) | C5—C51—C56—C55 | −177.3 (3) |
N3—C2—C21—C22 | 149.5 (3) | C54—C55—C56—C51 | −1.2 (6) |
S1—C2—C21—C22 | −31.6 (4) | C54'—C55'—C56'—C51' | 0.2 (5) |
N3'—C2'—C21'—C26' | −19.4 (5) | C52'—C51'—C56'—C55' | −0.2 (5) |
S1'—C2'—C21'—C26' | 162.4 (3) | C5'—C51'—C56'—C55' | 177.5 (3) |
Symmetry codes: (i) −x, −y+1, −z; (ii) −x+1, −y+1, −z+1. |