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
Key indicators
- Single-crystal X-ray study
- T = 203 K
- Mean (C-C) = 0.006 Å
- R factor = 0.037
- wR factor = 0.074
- Data-to-parameter ratio = 16.1
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT480_ALERT_4_C Long H...A H-Bond Reported H1B .. CL2 .. 3.09 Ang.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
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) |
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