Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806016710/hg2034sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806016710/hg2034Isup2.hkl |
CCDC reference: 602846
Data collection: EXPOSE in IPDS Software (Stoe & Cie, 2000); cell refinement: CELL in IPDS Software; data reduction: INTEGRATE in IPDS Software; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-32 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.
[PdCl2(C38H32OP2)] | F(000) = 3024 |
Mr = 743.88 | Dx = 1.498 Mg m−3 |
Orthorhombic, Pbca | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ac 2ab | Cell parameters from 8000 reflections |
a = 11.4170 (5) Å | θ = 2.1–26.0° |
b = 20.8796 (17) Å | µ = 0.85 mm−1 |
c = 27.6747 (13) Å | T = 203 K |
V = 6597.2 (7) Å3 | Plate, orange |
Z = 8 | 0.28 × 0.16 × 0.08 mm |
Stoe IPDS diffractometer | 3612 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.073 |
Graphite monochromator | θmax = 26.0°, θmin = 2.1° |
Detector resolution: 0.81 pixels mm-1 | h = −13→14 |
φ scans | k = −25→20 |
24892 measured reflections | l = −34→33 |
6403 independent 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)] = 0.037 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.074 | H-atom parameters constrained |
S = 0.82 | w = 1/[σ2(Fo2) + (0.0295P)2] where P = (Fo2 + 2Fc2)/3 |
6403 reflections | (Δ/σ)max = 0.001 |
397 parameters | Δρmax = 0.64 e Å−3 |
0 restraints | Δρmin = −0.80 e Å−3 |
Experimental. A crystal was mounted at 203 K on a Stoe Image Plate Diffraction System (Stoe & Cie, 2000) using Mo Kα graphite monochromated radiation. Image plate distance 70 mm, φ oscillation scans 0 - 200°, step Δφ = 0.8°, 10 minutes per frame. |
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 | 0.3890 (3) | 0.0435 (2) | 0.58133 (13) | 0.0261 (9) | |
H1A | 0.3173 | 0.0673 | 0.5757 | 0.031* | |
H1B | 0.4075 | 0.0206 | 0.5518 | 0.031* | |
C2 | 0.3666 (3) | −0.0050 (2) | 0.62097 (13) | 0.0223 (9) | |
C3 | 0.2757 (3) | 0.0049 (2) | 0.65342 (14) | 0.0274 (10) | |
H3 | 0.2297 | 0.0415 | 0.6509 | 0.033* | |
C4 | 0.2527 (4) | −0.0394 (2) | 0.68961 (14) | 0.0326 (11) | |
H4 | 0.1913 | −0.0325 | 0.7111 | 0.039* | |
C5 | 0.3208 (4) | −0.0937 (2) | 0.69374 (13) | 0.0309 (10) | |
H5 | 0.3052 | −0.1238 | 0.7177 | 0.037* | |
C6 | 0.4131 (3) | −0.1029 (2) | 0.66185 (14) | 0.0261 (9) | |
C7 | 0.4349 (3) | −0.05946 (19) | 0.62531 (13) | 0.0249 (10) | |
H7 | 0.4956 | −0.0668 | 0.6036 | 0.030* | |
C8 | 0.5959 (4) | −0.1597 (2) | 0.67097 (14) | 0.0257 (9) | |
C9 | 0.6494 (4) | −0.2189 (2) | 0.66721 (14) | 0.0306 (10) | |
H9 | 0.6048 | −0.2555 | 0.6616 | 0.037* | |
C10 | 0.7695 (4) | −0.2232 (2) | 0.67190 (15) | 0.0346 (11) | |
H10 | 0.8062 | −0.2629 | 0.6697 | 0.041* | |
C11 | 0.8354 (4) | −0.1684 (2) | 0.67983 (14) | 0.0310 (10) | |
H11 | 0.9163 | −0.1719 | 0.6831 | 0.037* | |
C12 | 0.7832 (3) | −0.1089 (2) | 0.68297 (13) | 0.0258 (10) | |
C13 | 0.6607 (3) | −0.1044 (2) | 0.67962 (12) | 0.0237 (9) | |
H13 | 0.6235 | −0.0650 | 0.6831 | 0.028* | |
C14 | 0.8558 (3) | −0.0491 (2) | 0.68865 (13) | 0.0273 (9) | |
H14A | 0.9354 | −0.0606 | 0.6973 | 0.033* | |
H14B | 0.8237 | −0.0229 | 0.7144 | 0.033* | |
C15 | 0.4459 (3) | 0.1596 (2) | 0.63502 (14) | 0.0224 (9) | |
C16 | 0.4253 (3) | 0.2231 (2) | 0.62130 (14) | 0.0254 (9) | |
H16 | 0.4430 | 0.2358 | 0.5899 | 0.031* | |
C17 | 0.3794 (4) | 0.2672 (2) | 0.65330 (15) | 0.0308 (10) | |
H17 | 0.3652 | 0.3090 | 0.6433 | 0.037* | |
C18 | 0.3546 (3) | 0.2488 (2) | 0.70045 (15) | 0.0318 (11) | |
H18 | 0.3252 | 0.2785 | 0.7223 | 0.038* | |
C19 | 0.3737 (4) | 0.1863 (2) | 0.71470 (15) | 0.0302 (10) | |
H19 | 0.3553 | 0.1739 | 0.7461 | 0.036* | |
C20 | 0.4197 (3) | 0.1419 (2) | 0.68292 (13) | 0.0268 (10) | |
H20 | 0.4334 | 0.1002 | 0.6932 | 0.032* | |
C21 | 0.5233 (4) | 0.1435 (2) | 0.53712 (14) | 0.0266 (10) | |
C22 | 0.4307 (4) | 0.1522 (2) | 0.50554 (15) | 0.0381 (12) | |
H22 | 0.3563 | 0.1381 | 0.5142 | 0.046* | |
C23 | 0.4475 (6) | 0.1818 (3) | 0.46104 (16) | 0.0514 (15) | |
H23 | 0.3847 | 0.1874 | 0.4401 | 0.062* | |
C24 | 0.5558 (6) | 0.2024 (2) | 0.44827 (17) | 0.0495 (15) | |
H24 | 0.5669 | 0.2212 | 0.4181 | 0.059* | |
C25 | 0.6493 (5) | 0.1961 (2) | 0.47900 (18) | 0.0476 (14) | |
H25 | 0.7227 | 0.2115 | 0.4702 | 0.057* | |
C26 | 0.6329 (4) | 0.1664 (2) | 0.52356 (16) | 0.0371 (11) | |
H26 | 0.6960 | 0.1617 | 0.5445 | 0.045* | |
C27 | 0.9229 (3) | −0.05852 (19) | 0.58918 (13) | 0.0228 (9) | |
C28 | 0.8546 (4) | −0.1068 (2) | 0.56920 (14) | 0.0285 (10) | |
H28 | 0.7752 | −0.1089 | 0.5766 | 0.034* | |
C29 | 0.9028 (4) | −0.1518 (2) | 0.53854 (15) | 0.0355 (11) | |
H29 | 0.8564 | −0.1841 | 0.5257 | 0.043* | |
C30 | 1.0205 (4) | −0.1485 (2) | 0.52707 (15) | 0.0388 (12) | |
H30 | 1.0532 | −0.1785 | 0.5062 | 0.047* | |
C31 | 1.0887 (4) | −0.1012 (2) | 0.54622 (16) | 0.0398 (12) | |
H31 | 1.1678 | −0.0992 | 0.5382 | 0.048* | |
C32 | 1.0415 (4) | −0.0562 (2) | 0.57758 (14) | 0.0330 (11) | |
H32 | 1.0890 | −0.0245 | 0.5908 | 0.040* | |
C33 | 0.9620 (3) | 0.06065 (19) | 0.63969 (14) | 0.0251 (9) | |
C34 | 0.9997 (3) | 0.0825 (2) | 0.68446 (13) | 0.0238 (9) | |
H34 | 0.9742 | 0.0621 | 0.7125 | 0.029* | |
C35 | 1.0748 (3) | 0.1343 (2) | 0.68775 (15) | 0.0284 (10) | |
H35 | 1.0994 | 0.1486 | 0.7179 | 0.034* | |
C36 | 1.1132 (4) | 0.1648 (2) | 0.64679 (15) | 0.0301 (10) | |
H36 | 1.1638 | 0.1995 | 0.6492 | 0.036* | |
C37 | 1.0761 (4) | 0.1435 (2) | 0.60172 (15) | 0.0316 (11) | |
H37 | 1.1029 | 0.1638 | 0.5739 | 0.038* | |
C38 | 1.0004 (4) | 0.0928 (2) | 0.59784 (14) | 0.0278 (10) | |
H38 | 0.9744 | 0.0797 | 0.5676 | 0.033* | |
O1 | 0.4748 (2) | −0.16025 (15) | 0.66673 (11) | 0.0336 (7) | |
P1 | 0.50731 (9) | 0.10066 (5) | 0.59370 (3) | 0.0214 (2) | |
P2 | 0.85659 (8) | −0.00311 (5) | 0.63181 (3) | 0.0216 (2) | |
Cl1 | 0.68596 (10) | 0.08552 (6) | 0.69191 (3) | 0.0349 (3) | |
Cl2 | 0.67431 (10) | 0.00658 (5) | 0.53700 (3) | 0.0342 (2) | |
Pd1 | 0.67902 (3) | 0.046387 (15) | 0.614145 (10) | 0.02061 (8) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.027 (2) | 0.028 (2) | 0.023 (2) | 0.002 (2) | −0.0039 (16) | 0.0005 (19) |
C2 | 0.0226 (19) | 0.027 (2) | 0.0170 (19) | −0.0024 (17) | −0.0043 (16) | −0.0049 (17) |
C3 | 0.0180 (19) | 0.038 (3) | 0.026 (2) | 0.003 (2) | −0.0019 (16) | −0.0060 (19) |
C4 | 0.025 (2) | 0.047 (3) | 0.025 (2) | −0.003 (2) | 0.0083 (17) | −0.004 (2) |
C5 | 0.029 (2) | 0.041 (3) | 0.023 (2) | −0.010 (2) | 0.002 (2) | −0.0013 (18) |
C6 | 0.026 (2) | 0.023 (2) | 0.029 (2) | −0.0007 (19) | −0.0039 (18) | −0.0022 (19) |
C7 | 0.025 (2) | 0.027 (3) | 0.023 (2) | −0.0021 (17) | 0.0024 (16) | −0.0010 (17) |
C8 | 0.028 (2) | 0.028 (3) | 0.021 (2) | 0.001 (2) | 0.0000 (17) | 0.0029 (18) |
C9 | 0.040 (3) | 0.026 (3) | 0.026 (2) | −0.001 (2) | 0.0007 (18) | 0.0028 (19) |
C10 | 0.046 (3) | 0.024 (3) | 0.034 (2) | 0.006 (2) | 0.008 (2) | 0.0005 (19) |
C11 | 0.033 (3) | 0.031 (3) | 0.029 (2) | 0.012 (2) | 0.001 (2) | 0.0048 (18) |
C12 | 0.030 (2) | 0.032 (3) | 0.0154 (19) | 0.0015 (19) | 0.0005 (16) | 0.0039 (18) |
C13 | 0.029 (2) | 0.021 (2) | 0.0209 (19) | 0.0030 (19) | 0.0016 (17) | 0.0032 (16) |
C14 | 0.024 (2) | 0.033 (2) | 0.025 (2) | 0.006 (2) | −0.0027 (15) | −0.001 (2) |
C15 | 0.0164 (19) | 0.026 (2) | 0.025 (2) | −0.0022 (17) | −0.0028 (16) | 0.0003 (18) |
C16 | 0.026 (2) | 0.027 (2) | 0.023 (2) | −0.0034 (18) | 0.0025 (17) | −0.0022 (19) |
C17 | 0.029 (2) | 0.026 (3) | 0.037 (3) | 0.000 (2) | −0.001 (2) | 0.0009 (19) |
C18 | 0.026 (2) | 0.035 (3) | 0.034 (2) | 0.006 (2) | −0.0029 (18) | −0.011 (2) |
C19 | 0.028 (2) | 0.041 (3) | 0.022 (2) | 0.000 (2) | −0.0004 (18) | −0.007 (2) |
C20 | 0.025 (2) | 0.033 (3) | 0.023 (2) | 0.0019 (19) | −0.0047 (17) | −0.0009 (19) |
C21 | 0.033 (2) | 0.025 (2) | 0.022 (2) | 0.004 (2) | 0.0037 (18) | −0.0007 (18) |
C22 | 0.051 (3) | 0.035 (3) | 0.028 (2) | −0.006 (2) | −0.010 (2) | 0.009 (2) |
C23 | 0.090 (4) | 0.038 (3) | 0.026 (3) | −0.008 (3) | −0.018 (3) | 0.011 (2) |
C24 | 0.097 (5) | 0.028 (3) | 0.023 (2) | −0.003 (3) | 0.009 (3) | 0.001 (2) |
C25 | 0.064 (4) | 0.027 (3) | 0.051 (3) | 0.006 (2) | 0.033 (3) | 0.007 (2) |
C26 | 0.037 (3) | 0.036 (3) | 0.038 (3) | 0.003 (2) | 0.010 (2) | 0.004 (2) |
C27 | 0.024 (2) | 0.022 (3) | 0.022 (2) | 0.0012 (18) | 0.0020 (16) | 0.0017 (17) |
C28 | 0.035 (2) | 0.026 (2) | 0.024 (2) | 0.000 (2) | −0.0009 (18) | 0.0009 (18) |
C29 | 0.049 (3) | 0.028 (3) | 0.030 (2) | 0.002 (2) | −0.008 (2) | −0.005 (2) |
C30 | 0.054 (3) | 0.037 (3) | 0.026 (2) | 0.013 (3) | 0.000 (2) | −0.002 (2) |
C31 | 0.035 (3) | 0.042 (3) | 0.042 (3) | 0.014 (2) | 0.007 (2) | −0.006 (2) |
C32 | 0.030 (2) | 0.034 (3) | 0.035 (2) | 0.004 (2) | −0.0032 (18) | −0.008 (2) |
C33 | 0.0182 (19) | 0.026 (3) | 0.031 (2) | 0.0057 (17) | −0.0006 (17) | 0.0016 (19) |
C34 | 0.025 (2) | 0.032 (3) | 0.0143 (19) | 0.0026 (19) | −0.0022 (16) | −0.0022 (17) |
C35 | 0.024 (2) | 0.033 (3) | 0.028 (2) | 0.004 (2) | −0.0049 (18) | −0.008 (2) |
C36 | 0.029 (2) | 0.024 (2) | 0.037 (2) | 0.0005 (19) | −0.004 (2) | −0.001 (2) |
C37 | 0.035 (3) | 0.030 (3) | 0.030 (3) | 0.002 (2) | 0.0010 (18) | 0.0064 (19) |
C38 | 0.033 (2) | 0.027 (2) | 0.023 (2) | −0.002 (2) | −0.0054 (18) | 0.0038 (18) |
O1 | 0.0281 (17) | 0.0240 (18) | 0.0486 (18) | −0.0031 (14) | −0.0016 (14) | 0.0065 (14) |
P1 | 0.0219 (5) | 0.0240 (6) | 0.0184 (5) | 0.0014 (5) | −0.0008 (4) | 0.0019 (4) |
P2 | 0.0216 (5) | 0.0233 (6) | 0.0201 (5) | 0.0025 (4) | −0.0010 (4) | −0.0015 (4) |
Cl1 | 0.0315 (5) | 0.0493 (7) | 0.0240 (5) | 0.0127 (6) | −0.0055 (5) | −0.0156 (5) |
Cl2 | 0.0431 (6) | 0.0392 (6) | 0.0202 (5) | 0.0120 (6) | −0.0053 (5) | −0.0078 (4) |
Pd1 | 0.02104 (13) | 0.02376 (15) | 0.01704 (13) | 0.00179 (16) | −0.00113 (14) | −0.00246 (14) |
C1—C2 | 1.515 (6) | C20—H20 | 0.9300 |
C1—P1 | 1.835 (4) | C21—C22 | 1.384 (6) |
C1—H1A | 0.9700 | C21—C26 | 1.391 (6) |
C1—H1B | 0.9700 | C21—P1 | 1.812 (4) |
C2—C7 | 1.383 (6) | C22—C23 | 1.391 (6) |
C2—C3 | 1.389 (5) | C22—H22 | 0.9300 |
C3—C4 | 1.389 (6) | C23—C24 | 1.356 (8) |
C3—H3 | 0.9300 | C23—H23 | 0.9300 |
C4—C5 | 1.379 (6) | C24—C25 | 1.371 (8) |
C4—H4 | 0.9300 | C24—H24 | 0.9300 |
C5—C6 | 1.387 (6) | C25—C26 | 1.394 (6) |
C5—H5 | 0.9300 | C25—H25 | 0.9300 |
C6—C7 | 1.381 (6) | C26—H26 | 0.9300 |
C6—O1 | 1.396 (5) | C27—C28 | 1.390 (6) |
C7—H7 | 0.9300 | C27—C32 | 1.393 (6) |
C8—C9 | 1.383 (6) | C27—P2 | 1.817 (4) |
C8—O1 | 1.388 (5) | C28—C29 | 1.380 (6) |
C8—C13 | 1.393 (6) | C28—H28 | 0.9300 |
C9—C10 | 1.380 (6) | C29—C30 | 1.382 (7) |
C9—H9 | 0.9300 | C29—H29 | 0.9300 |
C10—C11 | 1.387 (6) | C30—C31 | 1.363 (7) |
C10—H10 | 0.9300 | C30—H30 | 0.9300 |
C11—C12 | 1.382 (6) | C31—C32 | 1.389 (6) |
C11—H11 | 0.9300 | C31—H31 | 0.9300 |
C12—C13 | 1.405 (6) | C32—H32 | 0.9300 |
C12—C14 | 1.506 (6) | C33—C34 | 1.389 (5) |
C13—H13 | 0.9300 | C33—C38 | 1.409 (5) |
C14—P2 | 1.843 (4) | C33—P2 | 1.808 (4) |
C14—H14A | 0.9700 | C34—C35 | 1.384 (6) |
C14—H14B | 0.9700 | C34—H34 | 0.9300 |
C15—C16 | 1.399 (6) | C35—C36 | 1.372 (6) |
C15—C20 | 1.408 (5) | C35—H35 | 0.9300 |
C15—P1 | 1.819 (4) | C36—C37 | 1.390 (6) |
C16—C17 | 1.381 (6) | C36—H36 | 0.9300 |
C16—H16 | 0.9300 | C37—C38 | 1.370 (6) |
C17—C18 | 1.389 (6) | C37—H37 | 0.9300 |
C17—H17 | 0.9300 | C38—H38 | 0.9300 |
C18—C19 | 1.381 (6) | P1—Pd1 | 2.3341 (11) |
C18—H18 | 0.9300 | P2—Pd1 | 2.3275 (10) |
C19—C20 | 1.381 (6) | Cl1—Pd1 | 2.3034 (9) |
C19—H19 | 0.9300 | Cl2—Pd1 | 2.2916 (9) |
C2—C1—P1 | 115.1 (3) | C21—C22—H22 | 119.6 |
C2—C1—H1A | 108.5 | C23—C22—H22 | 119.6 |
P1—C1—H1A | 108.5 | C24—C23—C22 | 119.9 (5) |
C2—C1—H1B | 108.5 | C24—C23—H23 | 120.1 |
P1—C1—H1B | 108.5 | C22—C23—H23 | 120.1 |
H1A—C1—H1B | 107.5 | C23—C24—C25 | 121.2 (4) |
C7—C2—C3 | 119.2 (4) | C23—C24—H24 | 119.4 |
C7—C2—C1 | 121.1 (3) | C25—C24—H24 | 119.4 |
C3—C2—C1 | 119.6 (4) | C24—C25—C26 | 119.2 (5) |
C4—C3—C2 | 120.5 (4) | C24—C25—H25 | 120.4 |
C4—C3—H3 | 119.7 | C26—C25—H25 | 120.4 |
C2—C3—H3 | 119.7 | C21—C26—C25 | 120.8 (5) |
C5—C4—C3 | 120.1 (4) | C21—C26—H26 | 119.6 |
C5—C4—H4 | 120.0 | C25—C26—H26 | 119.6 |
C3—C4—H4 | 120.0 | C28—C27—C32 | 118.7 (4) |
C4—C5—C6 | 119.3 (4) | C28—C27—P2 | 119.1 (3) |
C4—C5—H5 | 120.3 | C32—C27—P2 | 122.2 (3) |
C6—C5—H5 | 120.3 | C29—C28—C27 | 120.9 (4) |
C7—C6—C5 | 120.8 (4) | C29—C28—H28 | 119.5 |
C7—C6—O1 | 122.9 (4) | C27—C28—H28 | 119.5 |
C5—C6—O1 | 116.1 (4) | C28—C29—C30 | 119.7 (5) |
C6—C7—C2 | 120.1 (4) | C28—C29—H29 | 120.2 |
C6—C7—H7 | 120.0 | C30—C29—H29 | 120.2 |
C2—C7—H7 | 120.0 | C31—C30—C29 | 120.2 (4) |
C9—C8—O1 | 115.2 (4) | C31—C30—H30 | 119.9 |
C9—C8—C13 | 121.3 (4) | C29—C30—H30 | 119.9 |
O1—C8—C13 | 123.4 (4) | C30—C31—C32 | 120.7 (4) |
C10—C9—C8 | 119.3 (4) | C30—C31—H31 | 119.6 |
C10—C9—H9 | 120.3 | C32—C31—H31 | 119.6 |
C8—C9—H9 | 120.3 | C31—C32—C27 | 119.8 (4) |
C9—C10—C11 | 120.1 (4) | C31—C32—H32 | 120.1 |
C9—C10—H10 | 120.0 | C27—C32—H32 | 120.1 |
C11—C10—H10 | 120.0 | C34—C33—C38 | 118.7 (4) |
C12—C11—C10 | 121.2 (4) | C34—C33—P2 | 123.8 (3) |
C12—C11—H11 | 119.4 | C38—C33—P2 | 117.3 (3) |
C10—C11—H11 | 119.4 | C35—C34—C33 | 120.5 (4) |
C11—C12—C13 | 119.1 (4) | C35—C34—H34 | 119.7 |
C11—C12—C14 | 121.0 (4) | C33—C34—H34 | 119.7 |
C13—C12—C14 | 119.9 (4) | C36—C35—C34 | 120.4 (4) |
C8—C13—C12 | 119.0 (4) | C36—C35—H35 | 119.8 |
C8—C13—H13 | 120.5 | C34—C35—H35 | 119.8 |
C12—C13—H13 | 120.5 | C35—C36—C37 | 119.7 (4) |
C12—C14—P2 | 110.2 (3) | C35—C36—H36 | 120.1 |
C12—C14—H14A | 109.6 | C37—C36—H36 | 120.1 |
P2—C14—H14A | 109.6 | C38—C37—C36 | 120.6 (4) |
C12—C14—H14B | 109.6 | C38—C37—H37 | 119.7 |
P2—C14—H14B | 109.6 | C36—C37—H37 | 119.7 |
H14A—C14—H14B | 108.1 | C37—C38—C33 | 120.0 (4) |
C16—C15—C20 | 117.9 (4) | C37—C38—H38 | 120.0 |
C16—C15—P1 | 122.3 (3) | C33—C38—H38 | 120.0 |
C20—C15—P1 | 119.8 (3) | C8—O1—C6 | 120.3 (3) |
C17—C16—C15 | 121.5 (4) | C21—P1—C15 | 104.38 (19) |
C17—C16—H16 | 119.3 | C21—P1—C1 | 103.52 (18) |
C15—C16—H16 | 119.3 | C15—P1—C1 | 105.87 (19) |
C16—C17—C18 | 119.7 (4) | C21—P1—Pd1 | 111.39 (14) |
C16—C17—H17 | 120.1 | C15—P1—Pd1 | 119.94 (13) |
C18—C17—H17 | 120.1 | C1—P1—Pd1 | 110.35 (14) |
C19—C18—C17 | 119.8 (4) | C33—P2—C27 | 105.66 (18) |
C19—C18—H18 | 120.1 | C33—P2—C14 | 106.51 (18) |
C17—C18—H18 | 120.1 | C27—P2—C14 | 102.96 (19) |
C18—C19—C20 | 120.8 (4) | C33—P2—Pd1 | 106.14 (13) |
C18—C19—H19 | 119.6 | C27—P2—Pd1 | 120.61 (13) |
C20—C19—H19 | 119.6 | C14—P2—Pd1 | 113.97 (13) |
C19—C20—C15 | 120.4 (4) | Cl2—Pd1—Cl1 | 179.21 (4) |
C19—C20—H20 | 119.8 | Cl2—Pd1—P2 | 93.15 (4) |
C15—C20—H20 | 119.8 | Cl1—Pd1—P2 | 86.06 (4) |
C22—C21—C26 | 118.1 (4) | Cl2—Pd1—P1 | 86.02 (4) |
C22—C21—P1 | 122.3 (3) | Cl1—Pd1—P1 | 94.77 (4) |
C26—C21—P1 | 119.5 (3) | P2—Pd1—P1 | 176.50 (4) |
C21—C22—C23 | 120.8 (5) | ||
P1—C1—C2—C7 | −81.4 (4) | C34—C35—C36—C37 | 0.1 (6) |
P1—C1—C2—C3 | 99.0 (4) | C35—C36—C37—C38 | 0.8 (6) |
C7—C2—C3—C4 | −0.5 (6) | C36—C37—C38—C33 | −1.8 (6) |
C1—C2—C3—C4 | 179.1 (4) | C34—C33—C38—C37 | 1.8 (6) |
C2—C3—C4—C5 | 0.4 (6) | P2—C33—C38—C37 | 177.0 (3) |
C3—C4—C5—C6 | 0.8 (6) | C9—C8—O1—C6 | −169.3 (3) |
C4—C5—C6—C7 | −1.9 (6) | C13—C8—O1—C6 | 12.3 (6) |
C4—C5—C6—O1 | −177.1 (4) | C7—C6—O1—C8 | 56.8 (5) |
C5—C6—C7—C2 | 1.8 (6) | C5—C6—O1—C8 | −128.2 (4) |
O1—C6—C7—C2 | 176.7 (4) | C22—C21—P1—C15 | −81.7 (4) |
C3—C2—C7—C6 | −0.6 (6) | C26—C21—P1—C15 | 101.0 (4) |
C1—C2—C7—C6 | 179.8 (4) | C22—C21—P1—C1 | 28.9 (4) |
O1—C8—C9—C10 | −178.8 (4) | C26—C21—P1—C1 | −148.3 (4) |
C13—C8—C9—C10 | −0.3 (6) | C22—C21—P1—Pd1 | 147.5 (3) |
C8—C9—C10—C11 | −0.6 (6) | C26—C21—P1—Pd1 | −29.8 (4) |
C9—C10—C11—C12 | −0.3 (6) | C16—C15—P1—C21 | −2.5 (4) |
C10—C11—C12—C13 | 2.1 (6) | C20—C15—P1—C21 | 178.8 (3) |
C10—C11—C12—C14 | −176.4 (4) | C16—C15—P1—C1 | −111.4 (3) |
C9—C8—C13—C12 | 2.1 (6) | C20—C15—P1—C1 | 69.9 (3) |
O1—C8—C13—C12 | −179.6 (3) | C16—C15—P1—Pd1 | 123.1 (3) |
C11—C12—C13—C8 | −3.0 (5) | C20—C15—P1—Pd1 | −55.6 (3) |
C14—C12—C13—C8 | 175.5 (3) | C2—C1—P1—C21 | 172.7 (3) |
C11—C12—C14—P2 | 107.0 (4) | C2—C1—P1—C15 | −77.8 (3) |
C13—C12—C14—P2 | −71.5 (4) | C2—C1—P1—Pd1 | 53.4 (3) |
C20—C15—C16—C17 | −0.8 (6) | C34—C33—P2—C27 | −129.5 (3) |
P1—C15—C16—C17 | −179.6 (3) | C38—C33—P2—C27 | 55.6 (3) |
C15—C16—C17—C18 | 1.1 (6) | C34—C33—P2—C14 | −20.5 (4) |
C16—C17—C18—C19 | −1.4 (6) | C38—C33—P2—C14 | 164.6 (3) |
C17—C18—C19—C20 | 1.4 (6) | C34—C33—P2—Pd1 | 101.3 (3) |
C18—C19—C20—C15 | −1.2 (6) | C38—C33—P2—Pd1 | −73.6 (3) |
C16—C15—C20—C19 | 0.8 (6) | C28—C27—P2—C33 | −168.6 (3) |
P1—C15—C20—C19 | 179.6 (3) | C32—C27—P2—C33 | 14.5 (4) |
C26—C21—C22—C23 | 1.3 (7) | C28—C27—P2—C14 | 79.8 (3) |
P1—C21—C22—C23 | −176.0 (4) | C32—C27—P2—C14 | −97.0 (4) |
C21—C22—C23—C24 | 0.1 (8) | C28—C27—P2—Pd1 | −48.5 (4) |
C22—C23—C24—C25 | −1.7 (8) | C32—C27—P2—Pd1 | 134.6 (3) |
C23—C24—C25—C26 | 1.8 (8) | C12—C14—P2—C33 | −171.9 (3) |
C22—C21—C26—C25 | −1.2 (7) | C12—C14—P2—C27 | −61.0 (3) |
P1—C21—C26—C25 | 176.2 (4) | C12—C14—P2—Pd1 | 71.4 (3) |
C24—C25—C26—C21 | −0.3 (7) | C33—P2—Pd1—Cl2 | 113.33 (14) |
C32—C27—C28—C29 | 0.1 (6) | C27—P2—Pd1—Cl2 | −6.52 (16) |
P2—C27—C28—C29 | −176.8 (3) | C14—P2—Pd1—Cl2 | −129.77 (16) |
C27—C28—C29—C30 | −0.7 (6) | C33—P2—Pd1—Cl1 | −66.78 (14) |
C28—C29—C30—C31 | 0.4 (7) | C27—P2—Pd1—Cl1 | 173.37 (16) |
C29—C30—C31—C32 | 0.3 (7) | C14—P2—Pd1—Cl1 | 50.12 (16) |
C30—C31—C32—C27 | −0.9 (7) | C21—P1—Pd1—Cl2 | −49.90 (15) |
C28—C27—C32—C31 | 0.6 (6) | C15—P1—Pd1—Cl2 | −172.13 (16) |
P2—C27—C32—C31 | 177.5 (3) | C1—P1—Pd1—Cl2 | 64.49 (13) |
C38—C33—C34—C35 | −0.9 (6) | C21—P1—Pd1—Cl1 | 130.16 (15) |
P2—C33—C34—C35 | −175.8 (3) | C15—P1—Pd1—Cl1 | 7.93 (16) |
C33—C34—C35—C36 | −0.1 (6) | C1—P1—Pd1—Cl1 | −115.45 (13) |