Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802008140/cf6163sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536802008140/cf6163IIsup2.hkl |
CCDC reference: 189296
Data collection: COLLECT (Nonius, 1997); cell refinement: HKL SCALEPACK (Otwinowski & Minor, 1997); data reduction: SCALEPACK and DENZO (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: TEXSAN (Molecular Structure Corporation, 1992-1997); software used to prepare material for publication: TEXSAN.
[Pd(C26H48P2)(C17H14O)] | F(000) = 1616.00 |
Mr = 763.31 | Dx = 1.279 Mg m−3 |
Monoclinic, P21/a | Mo Kα radiation, λ = 0.7107 Å |
a = 21.0704 (2) Å | Cell parameters from 77106 reflections |
b = 8.6065 (1) Å | θ = 2.9–27.5° |
c = 23.6443 (3) Å | µ = 0.58 mm−1 |
β = 112.4591 (6)° | T = 200 K |
V = 3962.50 (8) Å3 | Plate, orange |
Z = 4 | 0.35 × 0.16 × 0.12 mm |
Nonius KappaCCD diffractometer | 9057 independent reflections |
Radiation source: X-ray tube | 7970 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.053 |
φ and ω scans | θmax = 27.5°, θmin = 2.9° |
Absorption correction: integration via Gaussian method (Coppens, 1970) implemented in maXus (Mackay et al., 2000) | h = −27→27 |
Tmin = 0.873, Tmax = 0.941 | k = −11→11 |
77106 measured reflections | l = −30→30 |
Refinement on F | 0 restraints |
Least-squares matrix: full | 0 constraints |
R[F2 > 2σ(F2)] = 0.040 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.049 | Weighting scheme based on measured s.u.'s w = 1/[σ2(Fo) + 0.00022|Fo|2] |
S = 1.95 | (Δ/σ)max = 0.002 |
7970 reflections | Δρmax = 0.95 e Å−3 |
430 parameters | Δρmin = −0.65 e Å−3 |
Geometry. Table of Least-Squares Planes —————————— ————– Plane number 1 ————— Atoms Defining Plane Distance e.s.d. Pd1 (1) -0.0011 0.0002 P1 (1) 0.0031 0.0006 P2 (1) 0.0048 0.0006 C1 (1) 0.0533 0.0026 C2 (1) 0.0906 0.0027 Mean deviation from plane is 0.0306 angstroms Chi-squared: 1716.0 ————– Plane number 2 ————— Atoms Defining Plane Distance e.s.d. Pd1 (1) 0.0000 P1 (1) 0.0000 P2 (1) 0.0000 Additional Atoms Distance C1 (1) 0.0601 C2 (1) 0.0983 Mean deviation from plane is 0.0000 angstroms Chi-squared: 0.0 Dihedral angles between least-squares planes plane plane angle 2 1 0.18 ————– Plane number 3 ————— Atoms Defining Plane Distance e.s.d. Pd1 (1) 0.0000 C1 (1) 0.0000 C2 (1) 0.0000 Additional Atoms Distance P1 (1) 0.0264 P2 (1) 0.1077 Mean deviation from plane is 0.0000 angstroms Chi-squared: 0.0 Dihedral angles between least-squares planes plane plane angle 3 1 2.60 3 2 2.76 ————– Plane number 4 ————— Atoms Defining Plane Distance e.s.d. O1 (1) -0.0056 0.0020 C1 (1) 0.0483 0.0023 C2 (1) -0.0596 0.0022 C3 (1) -0.0081 0.0023 C4 (1) 0.0353 0.0023 C5 (1) -0.0014 0.0025 Additional Atoms Distance Pd1 (1) 2.0038 C6 (1) -0.4330 C12 (1) 0.1661 H1 (1) 0.0361 H2 (1) -0.2664 Mean deviation from plane is 0.0264 angstroms Chi-squared: 1348.4 Dihedral angles between least-squares planes plane plane angle 4 1 88.33 4 2 88.51 4 3 86.10 ————– Plane number 5 ————— Atoms Defining Plane Distance e.s.d. C6 (1) 0.0051 0.0022 C7 (1) 0.0004 0.0025 C8 (1) -0.0076 0.0028 C9 (1) 0.0051 0.0027 C10 (1) 0.0038 0.0028 C11 (1) -0.0089 0.0025 Additional Atoms Distance C1 (1) 0.0547 Mean deviation from plane is 0.0052 angstroms Chi-squared: 30.5 Dihedral angles between least-squares planes plane plane angle 5 1 78.08 5 2 77.90 5 3 80.60 5 4 158.46 ————– Plane number 6 ————— Atoms Defining Plane Distance e.s.d. C12 (1) 0.0008 0.0024 C13 (1) 0.0048 0.0029 C14 (1) -0.0051 0.0032 C15 (1) -0.0019 0.0031 C16 (1) 0.0075 0.0030 C17 (1) -0.0053 0.0026 Additional Atoms Distance C5 (1) 0.0733 Mean deviation from plane is 0.0042 angstroms Chi-squared: 15.8 Dihedral angles between least-squares planes plane plane angle 6 1 73.12 6 2 73.30 6 3 70.71 6 4 17.71 6 5 150.24 |
Refinement. σ2(Fo) is from averaging of equivalent reflections by maXus. H atoms were included in the refinement at idealized positions which were frequently recalculated. The exceptions were H1 and H2, which were refined positionally. |
x | y | z | Uiso*/Ueq | ||
Pd1 | 0.839302 (9) | 0.04942 (2) | 0.741482 (8) | 0.02538 (6) | |
P1 | 0.90523 (3) | 0.26864 (7) | 0.78067 (3) | 0.0252 (2) | |
P2 | 0.79022 (3) | 0.17778 (7) | 0.65062 (3) | 0.0276 (2) | |
O1 | 0.9475 (1) | −0.2448 (2) | 0.77307 (9) | 0.0496 (6) | |
C1 | 0.8017 (1) | −0.1863 (3) | 0.7384 (1) | 0.0321 (7) | |
C2 | 0.8537 (1) | −0.1533 (3) | 0.7962 (1) | 0.0329 (7) | |
C3 | 0.9258 (1) | −0.1783 (3) | 0.8090 (1) | 0.0357 (7) | |
C4 | 0.9744 (1) | −0.1199 (3) | 0.8691 (1) | 0.0353 (7) | |
C5 | 1.0419 (1) | −0.1430 (3) | 0.8890 (1) | 0.0399 (7) | |
C6 | 0.7289 (1) | −0.2121 (3) | 0.7292 (1) | 0.0306 (6) | |
C7 | 0.6866 (1) | −0.3000 (3) | 0.6798 (1) | 0.0385 (7) | |
C8 | 0.6184 (1) | −0.3307 (3) | 0.6706 (1) | 0.0486 (8) | |
C9 | 0.5911 (1) | −0.2758 (3) | 0.7110 (2) | 0.0519 (9) | |
C10 | 0.6322 (2) | −0.1882 (3) | 0.7599 (1) | 0.0475 (9) | |
C11 | 0.6997 (1) | −0.1553 (3) | 0.7688 (1) | 0.0382 (7) | |
C12 | 1.0940 (1) | −0.0771 (3) | 0.9446 (1) | 0.0386 (7) | |
C13 | 1.1619 (1) | −0.1243 (4) | 0.9626 (1) | 0.0507 (9) | |
C14 | 1.2129 (2) | −0.0592 (4) | 1.0135 (1) | 0.060 (1) | |
C15 | 1.1973 (2) | 0.0535 (5) | 1.0463 (1) | 0.065 (1) | |
C16 | 1.1303 (2) | 0.1047 (4) | 1.0294 (1) | 0.0526 (9) | |
C17 | 1.0789 (1) | 0.0386 (3) | 0.9792 (1) | 0.0436 (8) | |
C18 | 0.8900 (1) | 0.4013 (3) | 0.7149 (1) | 0.0301 (6) | |
C19 | 0.8187 (1) | 0.3826 (3) | 0.6651 (1) | 0.0322 (7) | |
C20 | 0.8851 (1) | 0.3888 (3) | 0.8367 (1) | 0.0275 (6) | |
C21 | 0.8084 (1) | 0.4159 (3) | 0.8173 (1) | 0.0338 (7) | |
C22 | 0.7926 (1) | 0.5163 (3) | 0.8634 (1) | 0.0375 (7) | |
C23 | 0.8242 (2) | 0.4514 (3) | 0.9279 (1) | 0.0472 (9) | |
C24 | 0.9002 (2) | 0.4226 (3) | 0.9470 (1) | 0.0454 (8) | |
C25 | 0.9148 (1) | 0.3202 (3) | 0.9012 (1) | 0.0375 (7) | |
C26 | 0.9997 (1) | 0.2511 (3) | 0.8153 (1) | 0.0269 (6) | |
C27 | 1.0274 (1) | 0.1578 (3) | 0.7743 (1) | 0.0341 (7) | |
C28 | 1.1055 (1) | 0.1361 (3) | 0.8053 (1) | 0.0396 (7) | |
C29 | 1.1428 (1) | 0.2896 (3) | 0.8244 (1) | 0.0429 (8) | |
C30 | 1.1150 (1) | 0.3808 (3) | 0.8655 (1) | 0.0396 (7) | |
C31 | 1.0378 (1) | 0.4071 (3) | 0.8342 (1) | 0.0339 (7) | |
C32 | 0.8182 (1) | 0.1072 (3) | 0.5899 (1) | 0.0364 (7) | |
C33 | 0.8941 (2) | 0.0657 (4) | 0.6143 (2) | 0.063 (1) | |
C34 | 0.9126 (2) | −0.0134 (5) | 0.5645 (2) | 0.079 (1) | |
C35 | 0.8934 (3) | 0.0883 (5) | 0.5077 (2) | 0.093 (2) | |
C36 | 0.8189 (2) | 0.1323 (4) | 0.4842 (2) | 0.072 (1) | |
C37 | 0.7994 (2) | 0.2102 (4) | 0.5333 (1) | 0.063 (1) | |
C38 | 0.6960 (1) | 0.1962 (3) | 0.6129 (1) | 0.0320 (6) | |
C39 | 0.6660 (1) | 0.2385 (3) | 0.6609 (1) | 0.0406 (8) | |
C40 | 0.5878 (1) | 0.2464 (3) | 0.6330 (1) | 0.0469 (8) | |
C41 | 0.5572 (1) | 0.0939 (4) | 0.6023 (2) | 0.0559 (9) | |
C42 | 0.5847 (2) | 0.0530 (3) | 0.5541 (2) | 0.0539 (9) | |
C43 | 0.6632 (1) | 0.0461 (3) | 0.5801 (1) | 0.0440 (8) | |
H1 | 0.816 (1) | −0.233 (3) | 0.714 (1) | 0.039* | |
H2 | 0.840 (1) | −0.124 (3) | 0.829 (1) | 0.040* | |
H3 | 0.9566 | −0.0637 | 0.8943 | 0.042* | |
H4 | 1.0579 | −0.2085 | 0.8648 | 0.048* | |
H5 | 0.7047 | −0.3401 | 0.6516 | 0.046* | |
H6 | 0.5906 | −0.3900 | 0.6361 | 0.058* | |
H7 | 0.5449 | −0.2978 | 0.7053 | 0.062* | |
H8 | 0.6139 | −0.1494 | 0.7882 | 0.057* | |
H9 | 0.7265 | −0.0927 | 0.8026 | 0.046* | |
H10 | 1.1737 | −0.2022 | 0.9398 | 0.061* | |
H11 | 1.2590 | −0.0938 | 1.0255 | 0.072* | |
H12 | 1.2326 | 0.0975 | 1.0809 | 0.078* | |
H13 | 1.1196 | 0.1847 | 1.0520 | 0.063* | |
H14 | 1.0328 | 0.0722 | 0.9682 | 0.052* | |
H15 | 0.8950 | 0.5054 | 0.7293 | 0.036* | |
H16 | 0.9231 | 0.3802 | 0.6977 | 0.036* | |
H17 | 0.8190 | 0.4257 | 0.6283 | 0.039* | |
H18 | 0.7868 | 0.4379 | 0.6772 | 0.039* | |
H19 | 0.9060 | 0.4874 | 0.8383 | 0.033* | |
H20 | 0.7916 | 0.4665 | 0.7787 | 0.041* | |
H21 | 0.7861 | 0.3184 | 0.8140 | 0.041* | |
H22 | 0.8103 | 0.6177 | 0.8631 | 0.045* | |
H23 | 0.7442 | 0.5217 | 0.8516 | 0.045* | |
H24 | 0.8173 | 0.5236 | 0.9554 | 0.057* | |
H25 | 0.8022 | 0.3561 | 0.9295 | 0.057* | |
H26 | 0.9229 | 0.5193 | 0.9498 | 0.055* | |
H27 | 0.9171 | 0.3730 | 0.9858 | 0.055* | |
H28 | 0.8950 | 0.2208 | 0.9007 | 0.045* | |
H29 | 0.9631 | 0.3096 | 0.9134 | 0.045* | |
H30 | 1.0102 | 0.1926 | 0.8518 | 0.032* | |
H31 | 1.0059 | 0.0587 | 0.7663 | 0.041* | |
H32 | 1.0171 | 0.2118 | 0.7368 | 0.041* | |
H33 | 1.1152 | 0.0730 | 0.8407 | 0.048* | |
H34 | 1.1214 | 0.0858 | 0.7775 | 0.048* | |
H35 | 1.1903 | 0.2702 | 0.8461 | 0.051* | |
H36 | 1.1366 | 0.3493 | 0.7889 | 0.051* | |
H37 | 1.1241 | 0.3242 | 0.9023 | 0.047* | |
H38 | 1.1375 | 0.4787 | 0.8749 | 0.047* | |
H39 | 1.0288 | 0.4692 | 0.7987 | 0.041* | |
H40 | 1.0218 | 0.4593 | 0.8616 | 0.041* | |
H41 | 0.7944 | 0.0122 | 0.5759 | 0.044* | |
H42 | 0.9205 | 0.1578 | 0.6273 | 0.075* | |
H43 | 0.9041 | −0.0030 | 0.6480 | 0.075* | |
H44 | 0.9607 | −0.0325 | 0.5800 | 0.095* | |
H45 | 0.8886 | −0.1092 | 0.5536 | 0.095* | |
H46 | 0.9206 | 0.1800 | 0.5177 | 0.112* | |
H47 | 0.9023 | 0.0328 | 0.4767 | 0.112* | |
H48 | 0.8095 | 0.2022 | 0.4509 | 0.086* | |
H49 | 0.7919 | 0.0411 | 0.4706 | 0.086* | |
H50 | 0.7514 | 0.2289 | 0.5173 | 0.075* | |
H51 | 0.8233 | 0.3061 | 0.5445 | 0.075* | |
H52 | 0.6857 | 0.2776 | 0.5836 | 0.038* | |
H53 | 0.6796 | 0.1620 | 0.6923 | 0.049* | |
H54 | 0.6834 | 0.3369 | 0.6781 | 0.049* | |
H55 | 0.5713 | 0.2679 | 0.6644 | 0.056* | |
H56 | 0.5740 | 0.3272 | 0.6034 | 0.056* | |
H57 | 0.5689 | 0.0138 | 0.6322 | 0.067* | |
H58 | 0.5087 | 0.1036 | 0.5838 | 0.067* | |
H59 | 0.5670 | −0.0456 | 0.5373 | 0.065* | |
H60 | 0.5698 | 0.1294 | 0.5227 | 0.065* | |
H61 | 0.6781 | 0.0285 | 0.5474 | 0.053* | |
H62 | 0.6777 | −0.0376 | 0.6084 | 0.053* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pd1 | 0.0241 (1) | 0.0212 (1) | 0.0280 (1) | −0.00137 (7) | 0.00682 (8) | 0.00028 (7) |
P1 | 0.0219 (3) | 0.0226 (3) | 0.0289 (3) | −0.0010 (2) | 0.0072 (2) | 0.0001 (2) |
P2 | 0.0269 (3) | 0.0259 (3) | 0.0265 (3) | −0.0012 (3) | 0.0063 (3) | 0.0004 (2) |
O1 | 0.038 (1) | 0.037 (1) | 0.065 (1) | 0.0007 (9) | 0.010 (1) | −0.0143 (9) |
C1 | 0.036 (1) | 0.022 (1) | 0.034 (1) | 0.001 (1) | 0.010 (1) | −0.001 (1) |
C2 | 0.031 (1) | 0.023 (1) | 0.038 (1) | −0.002 (1) | 0.006 (1) | 0.007 (1) |
C3 | 0.032 (1) | 0.021 (1) | 0.048 (2) | −0.003 (1) | 0.008 (1) | 0.002 (1) |
C4 | 0.032 (1) | 0.027 (1) | 0.040 (1) | −0.002 (1) | 0.006 (1) | 0.006 (1) |
C5 | 0.035 (1) | 0.031 (1) | 0.045 (2) | 0.002 (1) | 0.007 (1) | 0.005 (1) |
C6 | 0.032 (1) | 0.020 (1) | 0.035 (1) | −0.001 (1) | 0.007 (1) | 0.003 (1) |
C7 | 0.038 (1) | 0.030 (1) | 0.041 (1) | 0.000 (1) | 0.009 (1) | −0.003 (1) |
C8 | 0.034 (2) | 0.037 (2) | 0.062 (2) | −0.007 (1) | 0.004 (1) | −0.005 (1) |
C9 | 0.036 (2) | 0.038 (2) | 0.081 (2) | −0.001 (1) | 0.021 (2) | 0.013 (2) |
C10 | 0.047 (2) | 0.042 (2) | 0.059 (2) | 0.004 (1) | 0.026 (1) | 0.007 (1) |
C11 | 0.036 (1) | 0.034 (1) | 0.042 (1) | 0.002 (1) | 0.011 (1) | 0.000 (1) |
C12 | 0.030 (1) | 0.041 (2) | 0.039 (1) | −0.003 (1) | 0.007 (1) | 0.013 (1) |
C13 | 0.032 (2) | 0.069 (2) | 0.047 (2) | 0.004 (1) | 0.010 (1) | 0.015 (2) |
C14 | 0.029 (2) | 0.108 (3) | 0.039 (2) | −0.006 (2) | 0.008 (1) | 0.012 (2) |
C15 | 0.042 (2) | 0.112 (3) | 0.031 (2) | −0.029 (2) | 0.003 (1) | 0.008 (2) |
C16 | 0.052 (2) | 0.063 (2) | 0.039 (2) | −0.015 (2) | 0.013 (1) | −0.002 (1) |
C17 | 0.035 (2) | 0.044 (2) | 0.045 (2) | −0.003 (1) | 0.008 (1) | 0.009 (1) |
C18 | 0.029 (1) | 0.026 (1) | 0.033 (1) | −0.002 (1) | 0.010 (1) | 0.001 (1) |
C19 | 0.033 (1) | 0.028 (1) | 0.032 (1) | 0.000 (1) | 0.008 (1) | 0.003 (1) |
C20 | 0.025 (1) | 0.024 (1) | 0.033 (1) | −0.003 (1) | 0.010 (1) | −0.001 (1) |
C21 | 0.027 (1) | 0.033 (1) | 0.042 (1) | −0.001 (1) | 0.013 (1) | −0.001 (1) |
C22 | 0.029 (1) | 0.035 (1) | 0.052 (2) | −0.001 (1) | 0.020 (1) | −0.003 (1) |
C23 | 0.054 (2) | 0.051 (2) | 0.049 (2) | 0.004 (1) | 0.034 (2) | 0.003 (1) |
C24 | 0.051 (2) | 0.052 (2) | 0.035 (1) | 0.006 (1) | 0.019 (1) | 0.004 (1) |
C25 | 0.040 (1) | 0.038 (1) | 0.035 (1) | 0.008 (1) | 0.015 (1) | 0.004 (1) |
C26 | 0.024 (1) | 0.025 (1) | 0.030 (1) | 0.001 (1) | 0.008 (1) | 0.0015 (9) |
C27 | 0.030 (1) | 0.033 (1) | 0.038 (1) | 0.000 (1) | 0.013 (1) | −0.005 (1) |
C28 | 0.030 (1) | 0.042 (2) | 0.047 (2) | 0.006 (1) | 0.016 (1) | 0.000 (1) |
C29 | 0.026 (1) | 0.046 (2) | 0.057 (2) | 0.002 (1) | 0.015 (1) | 0.001 (1) |
C30 | 0.024 (1) | 0.042 (2) | 0.047 (2) | −0.005 (1) | 0.006 (1) | −0.004 (1) |
C31 | 0.022 (1) | 0.033 (1) | 0.043 (1) | −0.003 (1) | 0.009 (1) | −0.006 (1) |
C32 | 0.038 (1) | 0.036 (1) | 0.033 (1) | −0.006 (1) | 0.012 (1) | −0.005 (1) |
C33 | 0.039 (2) | 0.095 (3) | 0.055 (2) | −0.004 (2) | 0.019 (2) | −0.030 (2) |
C34 | 0.045 (2) | 0.122 (3) | 0.076 (3) | −0.006 (2) | 0.029 (2) | −0.043 (2) |
C35 | 0.111 (4) | 0.108 (3) | 0.095 (3) | −0.056 (3) | 0.079 (3) | −0.058 (3) |
C36 | 0.132 (4) | 0.051 (2) | 0.047 (2) | −0.011 (2) | 0.052 (2) | −0.006 (2) |
C37 | 0.107 (3) | 0.048 (2) | 0.043 (2) | −0.003 (2) | 0.040 (2) | 0.002 (1) |
C38 | 0.032 (1) | 0.029 (1) | 0.029 (1) | 0.000 (1) | 0.004 (1) | 0.002 (1) |
C39 | 0.032 (1) | 0.045 (2) | 0.041 (2) | −0.002 (1) | 0.011 (1) | −0.003 (1) |
C40 | 0.032 (1) | 0.054 (2) | 0.053 (2) | 0.003 (1) | 0.015 (1) | −0.002 (1) |
C41 | 0.030 (2) | 0.055 (2) | 0.072 (2) | −0.004 (1) | 0.008 (1) | 0.008 (2) |
C42 | 0.034 (2) | 0.053 (2) | 0.060 (2) | −0.005 (1) | 0.002 (1) | −0.014 (1) |
C43 | 0.035 (2) | 0.042 (2) | 0.046 (2) | −0.004 (1) | 0.006 (1) | −0.006 (1) |
Pd1—P1 | 2.3161 (6) | C23—H24 | 0.95 |
Pd1—P2 | 2.2820 (6) | C23—H25 | 0.95 |
Pd1—C1 | 2.169 (2) | C24—C25 | 1.515 (4) |
Pd1—C2 | 2.124 (2) | C24—H26 | 0.95 |
P1—C18 | 1.856 (2) | C24—H27 | 0.95 |
P1—C20 | 1.853 (2) | C25—H28 | 0.95 |
P1—C26 | 1.847 (2) | C25—H29 | 0.95 |
P2—C19 | 1.852 (2) | C26—C27 | 1.536 (3) |
P2—C32 | 1.851 (2) | C26—C31 | 1.540 (3) |
P2—C38 | 1.847 (2) | C26—H30 | 0.95 |
O1—C3 | 1.247 (3) | C27—C28 | 1.536 (3) |
C1—C2 | 1.417 (3) | C27—H31 | 0.95 |
C1—C6 | 1.482 (3) | C27—H32 | 0.95 |
C1—H1 | 0.86 (2) | C28—C29 | 1.516 (4) |
C2—C3 | 1.447 (3) | C28—H33 | 0.95 |
C2—H2 | 0.96 (3) | C28—H34 | 0.95 |
C3—C4 | 1.487 (3) | C29—C30 | 1.528 (4) |
C4—C5 | 1.332 (3) | C29—H35 | 0.95 |
C4—H3 | 0.95 | C29—H36 | 0.95 |
C5—C12 | 1.467 (4) | C30—C31 | 1.526 (3) |
C5—H4 | 0.95 | C30—H37 | 0.95 |
C6—C7 | 1.391 (3) | C30—H38 | 0.95 |
C6—C11 | 1.392 (3) | C31—H39 | 0.95 |
C7—C8 | 1.394 (4) | C31—H40 | 0.95 |
C7—H5 | 0.95 | C32—C33 | 1.520 (4) |
C8—C9 | 1.374 (4) | C32—C37 | 1.526 (4) |
C8—H6 | 0.95 | C32—H41 | 0.95 |
C9—C10 | 1.375 (4) | C33—C34 | 1.535 (4) |
C9—H7 | 0.95 | C33—H42 | 0.95 |
C10—C1) | 1.385 (4) | C33—H43 | 0.95 |
C10—H8 | 0.95 | C34—C35 | 1.522 (7) |
C11—H9 | 0.95 | C34—H44 | 0.95 |
C12—C13 | 1.388 (4) | C34—H45 | 0.95 |
C12—C17 | 1.401 (4) | C35—C36 | 1.502 (6) |
C13—C14 | 1.390 (4) | C35—H46 | 0.95 |
C13—H10 | 0.95 | C35—H47 | 0.95 |
C14—C15 | 1.357 (5) | C36—C37 | 1.525 (4) |
C14—H11 | 0.95 | C36—H48 | 0.95 |
C15—C16 | 1.385 (5) | C36—H49 | 0.95 |
C15—H12 | 0.95 | C37—H50 | 0.95 |
C16—C17 | 1.386 (4) | C37—H51 | 0.95 |
C16—H13 | 0.95 | C38—C39 | 1.541 (4) |
C17—H14 | 0.95 | C38—C43 | 1.529 (3) |
C18—C19 | 1.522 (3) | C38—H52 | 0.95 |
C18—H15 | 0.95 | C39—C40 | 1.525 (4) |
C18—H16 | 0.95 | C39—H53 | 0.95 |
C19—H17 | 0.95 | C39—H54 | 0.95 |
C19—H18 | 0.95 | C40—C41 | 1.519 (4) |
C20—C21 | 1.519 (3) | C40—H55 | 0.95 |
C20—C25 | 1.529 (3) | C40—H56 | 0.95 |
C20—H19 | 0.95 | C41—C42 | 1.505 (5) |
C21—C22 | 1.524 (4) | C41—H57 | 0.95 |
C21—H20 | 0.95 | C41—H58 | 0.95 |
C21—H21 | 0.95 | C42—C43 | 1.530 (4) |
C22—C23 | 1.518 (4) | C42—H59 | 0.95 |
C22—H22 | 0.95 | C42—H60 | 0.95 |
C22—H23 | 0.95 | C43—H61 | 0.95 |
C23—C24 | 1.510 (4) | C43—H62 | 0.95 |
O1)···C18)i | 3.371 (3) | O1)···C31)i | 3.547 (3) |
P1—Pd1—P2 | 88.23 (2) | H26—C24—H27 | 109.5 |
P1—Pd1—C1 | 158.59 (7) | C20—C25—C24 | 111.7 (2) |
P1—Pd1—C2 | 120.07 (7) | C20—C25—H28 | 108.9 |
P2—Pd1—C1 | 113.12 (7) | C20—C25—H29 | 108.9 |
P2—Pd1—C2 | 151.55 (7) | C24—C25—H28 | 108.9 |
C1—Pd1—C2 | 38.52 (9) | C24—C25—H29 | 108.9 |
Pd1—P1—C18 | 106.29 (8) | H28—C25—H29 | 109.5 |
Pd1—P1—C20 | 118.31 (7) | P1—C26—C27 | 111.6 (2) |
Pd1—P1—C26 | 119.41 (7) | P1—C26—C31 | 114.3 (2) |
C18—P1—C20 | 104.0 (1) | P1—C26—H30 | 106.5 |
C18—P1—C26 | 103.6 (1) | C27—C26—C31 | 110.9 (2) |
C20—P1—C26 | 103.4 (1) | C27—C26—H30 | 106.5 |
Pd1—P2—C19 | 106.76 (8) | C31—C26—H30 | 106.5 |
Pd1—P2—C32 | 114.03 (9) | C26—C27—C28 | 110.9 (2) |
Pd1—P2—C38 | 120.89 (8) | C26—C27—H31 | 109.1 |
C19—P2—C32 | 106.3 (1) | C26—C27—H32 | 109.1 |
C19—P2—C38 | 102.7 (1) | C28—C27—H31 | 109.1 |
C32—P2—C38 | 104.8 (1) | C28—C27—H32 | 109.1 |
Pd1—C1—C2 | 69.0 (1) | H31—C27—H32 | 109.5 |
Pd1—C1—C6 | 119.3 (2) | C27—C28—C29 | 112.1 (2) |
Pd1—C1—H1 | 104 (2) | C27—C28—H33 | 108.8 |
C2—C1—C6 | 123.1 (2) | C27—C28—H34 | 108.8 |
C2—C1—H1 | 114 (2) | C29—C28—H33 | 108.8 |
C6—C1—H1 | 117 (2) | C29—C28—H34 | 108.8 |
Pd1—C2—C1 | 72.4 (1) | H33—C28—H34 | 109.5 |
Pd1—C2—C3 | 98.2 (2) | C28—C29—C30 | 110.8 (2) |
Pd1—C2—H2 | 105 (2) | C28—C29—H35 | 109.1 |
C1—C2—C3 | 122.3 (2) | C28—C29—H36 | 109.1 |
C1—C2—H2 | 119 (2) | C30—C29—H35 | 109.1 |
C3—C2—H2 | 119 (2) | C30—C29—H36 | 109.1 |
O1—C3—C2 | 123.8 (2) | H35—C29—H36 | 109.5 |
O1—C3—C4 | 120.5 (2) | C29—C30—C31 | 111.3 (2) |
C2—C3—C4 | 115.7 (2) | C29—C30—H37 | 109.0 |
C3—C4—C5 | 122.7 (2) | C29—C30—H38 | 109.0 |
C3—C4—H3 | 118.7 | C31—C30—H37 | 109.0 |
C5—C4—H3 | 118.7 | C31—C30—H38 | 109.0 |
C4—C5—C12 | 126.3 (3) | H37—C30—H38 | 109.5 |
C4—C5—H4 | 116.9 | C26—C31—C30 | 110.6 (2) |
C12—C5—H4 | 116.9 | C26—C31—H39 | 109.2 |
C1—C6—C7 | 120.0 (2) | C26—C31—H40 | 109.2 |
C1—C6—C11 | 123.3 (2) | C30—C31—H39 | 109.2 |
C7—C6—C11 | 116.7 (2) | C30—C31—H40 | 109.2 |
C6—C7—C8 | 121.8 (3) | H39—C31—H40 | 109.5 |
C6—C7—H5 | 119.1 | P2—C32—C33 | 112.5 (2) |
C8—C7—H5 | 119.1 | P2—C32—C37 | 115.9 (2) |
C7—C8—C9 | 120.4 (3) | P2—C32—H41 | 105.6 |
C7—C8—H6 | 119.8 | C33—C32—C37 | 110.6 (2) |
C9—C8—H6 | 119.8 | C33—C32—H41 | 105.6 |
C8—C9—C10 | 118.5 (3) | C37—C32—H41 | 105.6 |
C8—C9—H7 | 120.7 | C32—C33—C34 | 110.6 (3) |
C10—C9—H7 | 120.7 | C32—C33—H42 | 109.2 |
C9—C10—C11 | 121.3 (3) | C32—C33—H43 | 109.2 |
C9—C10—H8 | 119.3 | C34—C33—H42 | 109.2 |
C11—C10—H8 | 119.3 | C34—C33—H43 | 109.2 |
C6—C11—C10 | 121.2 (2) | H42—C33—H43 | 109.5 |
C6—C11—H9 | 119.4 | C33—C34—C35 | 111.2 (4) |
C10—C11—H9 | 119.4 | C33—C34—H44 | 109.0 |
C5—C12—C13 | 119.5 (3) | C33—C34—H45 | 109.0 |
C5—C12—C17 | 122.6 (2) | C35—C34—H44 | 109.0 |
C13—C12—C17 | 117.8 (3) | C35—C34—H45 | 109.0 |
C12—C13—C14 | 120.8 (3) | H44—C34—H45 | 109.5 |
C12—C13—H10 | 119.6 | C34—C35—C36 | 111.0 (3) |
C14—C13—H10 | 119.6 | C34—C35—H46 | 109.1 |
C13—C14—C15 | 120.5 (3) | C34—C35—H47 | 109.1 |
C13—C14—H11 | 119.7 | C36—C35—H46 | 109.1 |
C15—C14—H11 | 119.7 | C36—C35—H47 | 109.1 |
C14—C15—C16 | 120.3 (3) | H46—C35—H47 | 109.5 |
C14—C15—H12 | 119.8 | C35—C36—C37 | 112.1 (3) |
C16—C15—H12 | 119.8 | C35—C36—H48 | 108.8 |
C15—C16—C17 | 119.6 (3) | C35—C36—H49 | 108.8 |
C15—C16—H13 | 120.2 | C37—C36—H48 | 108.8 |
C17—C16—H13 | 120.2 | C37—C36—H49 | 108.8 |
C12—C17—C16 | 120.9 (3) | H48—C36—H49 | 109.5 |
C12—C17—H14 | 119.5 | C32—C37—C36 | 110.9 (3) |
C16—C17—H14 | 119.5 | C32—C37—H50 | 109.1 |
P1—C18—C19 | 112.8 (2) | C32—C37—H51 | 109.1 |
P1—C18—H15 | 108.6 | C36—C37—H50 | 109.1 |
P1—C18—H16 | 108.6 | C36—C37—H51 | 109.1 |
C19—C18—H15 | 108.6 | H50—C37—H51 | 109.5 |
C19—C18—H16 | 108.6 | P2—C38—C39 | 109.4 (2) |
H15—C18—H16 | 109.5 | P2—C38—C43 | 111.5 (2) |
P2—C19—C18 | 113.4 (2) | P2—C38—H52 | 108.7 |
P2—C19—H17 | 108.5 | C39—C38—C43 | 109.9 (2) |
P2—C19—H18 | 108.5 | C39—C38—H52 | 108.7 |
C18—C19—H17 | 108.5 | C43—C38—H52 | 108.7 |
C18—C19—H18 | 108.5 | C38—C39—C40 | 111.8 (2) |
H17—C19—H18 | 109.5 | C38—C39—H53 | 108.9 |
P1—C20—C21 | 112.2 (2) | C38—C39—H54 | 108.9 |
P1—C20—C25 | 112.3 (2) | C40—C39—H53 | 108.9 |
P1—C20—H19 | 107.3 | C40—C39—H54 | 108.9 |
C21—C20—C25 | 110.1 (2) | H53—C39—H54 | 109.5 |
C21—C20—H19 | 107.3 | C39—C40—C41 | 111.1 (2) |
C25—C20—H19 | 107.3 | C39—C40—H55 | 109.1 |
C20—C21—C22 | 111.7 (2) | C39—C40—H56 | 109.1 |
C20—C21—H20 | 108.9 | C41—C40—H55 | 109.1 |
C20—C21—H21 | 108.9 | C41—C40—H56 | 109.1 |
C22—C21—H20 | 108.9 | H55—C40—H56 | 109.5 |
C22—C21—H21 | 108.9 | C40—C41—C42 | 110.4 (2) |
H20—C21—H21 | 109.5 | C40—C41—H57 | 109.2 |
C21—C22—C23 | 112.2 (2) | C40—C41—H58 | 109.2 |
C21—C22—H22 | 108.8 | C42—C41—H57 | 109.2 |
C21—C22—H23 | 108.8 | C42—C41—H58 | 109.2 |
C23—C22—H22 | 108.8 | H57—C41—H58 | 109.5 |
C23—C22—H23 | 108.8 | C41—C42—C43 | 112.0 (3) |
H22—C22—H23 | 109.5 | C41—C42—H59 | 108.8 |
C22—C23—C24 | 111.6 (2) | C41—C42—H60 | 108.8 |
C22—C23—H24 | 108.9 | C43—C42—H59 | 108.8 |
C22—C23—H25 | 108.9 | C43—C42—H60 | 108.8 |
C24—C23—H24 | 108.9 | H59—C42—H60 | 109.5 |
C24—C23—H25 | 108.9 | C38—C43—C42 | 112.4 (2) |
H24—C23—H25 | 109.5 | C38—C43—H61 | 108.7 |
C23—C24—C25 | 111.3 (2) | C38—C43—H62 | 108.7 |
C23—C24—H26 | 109.0 | C42—C43—H61 | 108.7 |
C23—C24—H27 | 109.0 | C42—C43—H62 | 108.7 |
C25—C24—H26 | 109.0 | H61—C43—H62 | 109.5 |
C25—C24—H27 | 109.0 | ||
Pd1—P1—C18—C19 | 29.8 (2) | C3—C4—C5—C12 | 173.7 (2) |
Pd1—P1—C20—C21 | −44.6 (2) | C4—C5—C12—C13 | 173.6 (3) |
Pd1—P1—C20—C25 | 80.1 (2) | C4—C5—C12—C17 | −9.7 (4) |
Pd1—P1—C26—C27 | 47.8 (2) | C5—C12—C13—C14 | 177.2 (3) |
Pd1—P1—C26—C31 | 174.6 (1) | C5—C12—C17—C16 | −176.0 (2) |
Pd1—P2—C19—C18 | 31.4 (2) | C6—C7—C8—C9 | −0.8 (4) |
Pd1—P2—C32—C33 | −38.6 (2) | C6—C11—C10—C9 | −1.2 (4) |
Pd1—P2—C32—C37 | −167.3 (2) | C7—C6—C11—C10 | 1.5 (4) |
Pd1—P2—C38—C39 | 43.8 (2) | C7—C8—C9—C10 | 1.1 (4) |
Pd1—P2—C38—C43 | −78.0 (2) | C8—C7—C6—C11 | −0.5 (4) |
Pd1—C1—C2—C3 | −88.7 (2) | C8—C9—C10—C11 | −0.1 (4) |
Pd1—C1—C6—C7 | 122.0 (2) | C12—C13—C14—C15 | −0.8 (5) |
Pd1—C1—C6—C11 | −59.4 (3) | C12—C17—C16—C15 | −1.4 (4) |
Pd1—C2—C1—C6 | −112.1 (2) | C13—C12—C17—C16 | 0.7 (4) |
Pd1—C2—C3—O1 | −82.1 (3) | C13—C14—C15—C16 | 0.2 (5) |
Pd1—C2—C3—C4 | 98.3 (2) | C14—C13—C12—C17 | 0.4 (4) |
P1—Pd1—P2—C19 | −9.80 (8) | C14—C15—C16—C17 | 0.9 (5) |
P1—Pd1—P2—C32 | 107.22 (9) | C18—P1—C20—C21 | 73.0 (2) |
P1—Pd1—P2—C38 | −126.41 (9) | C18—P1—C20—C25 | −162.4 (2) |
P1—Pd1—C1—C2 | 1.8 (3) | C18—P1—C26—C27 | −70.1 (2) |
P1—Pd1—C1—C6 | 118.9 (2) | C18—P1—C26—C31 | 56.7 (2) |
P1—Pd1—C2—C1 | −179.2 (1) | C18—C19—P2—C32 | −90.7 (2) |
P1—Pd1—C2—C3 | −57.9 (2) | C18—C19—P2—C38 | 159.5 (2) |
P1—C18—C19—P2 | −40.4 (2) | C19—P2—C32—C33 | 78.7 (2) |
P1—C20—C21—C22 | −179.4 (2) | C19—P2—C32—C37 | −49.9 (2) |
P1—C20—C25—C24 | 177.9 (2) | C19—P2—C38—C39 | −74.9 (2) |
P1—C26—C27—C28 | −176.7 (2) | C19—P2—C38—C43 | 163.3 (2) |
P1—C26—C31—C30 | 176.8 (2) | C19—C18—P1—C20 | −95.8 (2) |
P2—Pd1—P1—C18 | −8.32 (8) | C19—C18—P1—C26 | 156.5 (2) |
P2—Pd1—P1—C20 | 108.02 (9) | C20—P1—C26—C27 | −178.3 (2) |
P2—Pd1—P1—C26 | −124.76 (9) | C20—P1—C26—C31 | −51.5 (2) |
P2—Pd1—C1—C2 | 177.1 (1) | C20—C21—C22—C23 | −53.9 (3) |
P2—Pd1—C1—C6 | −65.8 (2) | C20—C25—C24—C23 | 56.3 (3) |
P2—Pd1—C2—C1 | −5.7 (2) | C21—C20—P1—C26 | −179.1 (2) |
P2—Pd1—C2—C3 | 115.7 (2) | C21—C20—C25—C24 | −56.3 (3) |
P2—C32—C33—C34 | 172.0 (3) | C21—C22—C23—C24 | 53.2 (3) |
P2—C32—C37—C36 | −174.4 (2) | C22—C21—C20—C25 | 54.8 (3) |
P2—C38—C39—C40 | −176.8 (2) | C22—C23—C24—C25 | −54.2 (3) |
P2—C38—C43—C42 | 174.1 (2) | C25—C20—P1—C26 | −54.4 (2) |
O1—C3—C2—C1 | −7.7 (4) | C26—C27—C28—C29 | −54.8 (3) |
O1—C3—C4—C5 | −4.1 (4) | C26—C31—C30—C29 | 56.9 (3) |
C1—Pd1—P1—C18 | 167.3 (2) | C27—C26—C31—C30 | −56.0 (3) |
C1—Pd1—P1—C20 | −76.3 (2) | C27—C28—C29—C30 | 55.4 (3) |
C1—Pd1—P1—C26 | 50.9 (2) | C28—C27—C26—C31 | 54.7 (3) |
C1—Pd1—P2—C19 | 171.9 (1) | C28—C29—C30—C31 | −56.5 (3) |
C1—Pd1—P2—C32 | −71.1 (1) | C32—P2—C38—C39 | 174.2 (2) |
C1—Pd1—P2—C38 | 55.3 (1) | C32—P2—C38—C43 | 52.4 (2) |
C1—Pd1—C2—C3 | 121.3 (2) | C32—C33—C34—C35 | 56.3 (4) |
C1—C2—C3—C4 | 172.7 (2) | C32—C37—C36—C35 | −55.6 (4) |
C1—C6—C7—C8 | 178.2 (2) | C33—C32—P2—C38 | −172.9 (2) |
C1—C6—C11—C10 | −177.1 (2) | C33—C32—C37—C36 | 56.0 (4) |
C2—Pd1—P1—C18 | 168.6 (1) | C33—C34—C35—C36 | −55.2 (4) |
C2—Pd1—P1—C20 | −75.0 (1) | C34—C33—C32—C37 | −56.5 (4) |
C2—Pd1—P1—C26 | 52.2 (1) | C34—C35—C36—C37 | 55.0 (4) |
C2—Pd1—P2—C19 | 175.8 (2) | C37—C32—P2—C38 | 58.4 (2) |
C2—Pd1—P2—C32 | −67.2 (2) | C38—C39—C40—C41 | 57.1 (3) |
C2—Pd1—P2—C38 | 59.2 (2) | C38—C43—C42—C41 | −54.8 (3) |
C2—Pd1—C1—C6 | 117.1 (3) | C39—C38—C43—C42 | 52.6 (3) |
C2—C1—C6—C7 | −155.0 (2) | C39—C40—C41—C42 | −57.4 (3) |
C2—C1—C6—C11 | 23.5 (4) | C40—C39—C38—C43 | −54.0 (3) |
C2—C3—C4—C5 | 175.6 (2) | C40—C41—C42—C43 | 56.1 (3) |
C3—C2—C1—C6 | 159.2 (2) |
Symmetry code: (i) x, y−1, z. |