Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802009558/ob6134sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536802009558/ob6134Isup2.hkl |
CCDC reference: 189860
Data collection: SMART (Bruker, 1995); cell refinement: SMART; data reduction: SHELXTL-NT (Bruker, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-NT; software used to prepare material for publication: SHELXTL-NT.
[PdCl2(C38H34N2O4P2)] | F(000) = 1672 |
Mr = 821.91 | Dx = 1.439 Mg m−3 |
Monoclinic, C2 | Mo Kα radiation, λ = 0.71073 Å |
a = 19.551 (3) Å | Cell parameters from 7972 reflections |
b = 12.1135 (19) Å | θ = 1–27.5° |
c = 18.410 (3) Å | µ = 0.76 mm−1 |
β = 119.529 (3)° | T = 294 K |
V = 3793.7 (10) Å3 | Plate, red |
Z = 4 | 0.28 × 0.24 × 0.22 mm |
Siemens CCD area-detector diffractometer | 6304 independent reflections |
Radiation source: fine-focus sealed tube | 5366 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.031 |
φ and ω scans | θmax = 27.5°, θmin = 2.1° |
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996) | h = −25→24 |
Tmin = 0.816, Tmax = 0.851 | k = −15→9 |
12943 measured reflections | l = −23→23 |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.068 | H-atom parameters constrained |
wR(F2) = 0.155 | w = 1/[σ2(Fo2) + (0.05P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.13 | (Δ/σ)max < 0.001 |
8354 reflections | Δρmax = 0.64 e Å−3 |
433 parameters | Δρmin = −0.35 e Å−3 |
1 restraint | Absolute structure: (Flack, 1983), 1740 Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.01 (10) |
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 | 0.33049 (4) | 0.0000 | 0.03876 (13) | |
Cl1 | 0.06969 (10) | 0.19553 (13) | −0.02810 (11) | 0.0839 (5) | |
P1 | −0.03788 (6) | 0.45652 (10) | 0.06288 (6) | 0.0373 (3) | |
O1 | 0.17941 (18) | 0.6860 (3) | 0.29516 (18) | 0.0648 (10) | |
O2 | 0.08494 (19) | 0.8132 (3) | 0.02641 (18) | 0.0624 (9) | |
N1 | 0.1330 (2) | 0.7517 (3) | 0.1615 (2) | 0.0479 (10) | |
C1 | 0.0282 (2) | 0.5746 (4) | 0.1016 (2) | 0.0377 (10) | |
C2 | 0.0811 (2) | 0.5864 (4) | 0.1866 (2) | 0.0440 (11) | |
H2A | 0.0829 | 0.5350 | 0.2250 | 0.053* | |
C3 | 0.1307 (2) | 0.6766 (4) | 0.2122 (2) | 0.0444 (11) | |
C4 | 0.0830 (3) | 0.7389 (4) | 0.0799 (3) | 0.0456 (11) | |
C5 | 0.0287 (2) | 0.6533 (4) | 0.0463 (2) | 0.0405 (10) | |
C6 | 0.2256 (3) | 0.7853 (6) | 0.3248 (3) | 0.087 (2) | |
H6A | 0.2524 | 0.7865 | 0.3847 | 0.131* | |
H6B | 0.1918 | 0.8485 | 0.3034 | 0.131* | |
H6C | 0.2635 | 0.7871 | 0.3060 | 0.131* | |
C7 | 0.1369 (4) | 0.9066 (6) | 0.0600 (5) | 0.114 (3) | |
H7A | 0.1340 | 0.9502 | 0.0150 | 0.171* | |
H7B | 0.1898 | 0.8811 | 0.0945 | 0.171* | |
H7C | 0.1214 | 0.9508 | 0.0927 | 0.171* | |
C8 | −0.1353 (2) | 0.5162 (4) | 0.0059 (3) | 0.0464 (12) | |
C9 | −0.1916 (3) | 0.4656 (5) | −0.0656 (3) | 0.0735 (17) | |
H9A | −0.1791 | 0.4024 | −0.0854 | 0.088* | |
C10 | −0.2670 (3) | 0.5087 (7) | −0.1082 (4) | 0.0934 (16) | |
H10A | −0.3052 | 0.4736 | −0.1560 | 0.112* | |
C11 | −0.2851 (4) | 0.6004 (7) | −0.0811 (4) | 0.0887 (16) | |
H11A | −0.3356 | 0.6294 | −0.1107 | 0.106* | |
C12 | −0.2312 (4) | 0.6510 (6) | −0.0118 (4) | 0.0800 (18) | |
H12A | −0.2449 | 0.7141 | 0.0068 | 0.096* | |
C13 | −0.1554 (3) | 0.6106 (5) | 0.0325 (3) | 0.0644 (15) | |
H13A | −0.1181 | 0.6472 | 0.0800 | 0.077* | |
C14 | −0.0297 (3) | 0.3935 (4) | 0.1570 (3) | 0.0540 (13) | |
C15 | 0.0369 (3) | 0.3337 (5) | 0.2085 (3) | 0.0816 (18) | |
H15A | 0.0749 | 0.3233 | 0.1927 | 0.098* | |
C16 | 0.0488 (5) | 0.2888 (6) | 0.2831 (4) | 0.130 (4) | |
H16A | 0.0951 | 0.2523 | 0.3195 | 0.157* | |
C17 | −0.0117 (5) | 0.3012 (7) | 0.3001 (5) | 0.115 (3) | |
H17A | −0.0053 | 0.2711 | 0.3495 | 0.138* | |
C18 | −0.0807 (5) | 0.3546 (6) | 0.2495 (4) | 0.112 (2) | |
H18A | −0.1207 | 0.3591 | 0.2629 | 0.134* | |
C19 | −0.0881 (4) | 0.4019 (6) | 0.1774 (4) | 0.099 (2) | |
H19A | −0.1338 | 0.4403 | 0.1420 | 0.118* | |
Pd2 | 0.5000 | −0.00810 (3) | 0.5000 | 0.03204 (12) | |
Cl2 | 0.40637 (6) | −0.14603 (10) | 0.46162 (8) | 0.0600 (3) | |
P2 | 0.40733 (6) | 0.12048 (10) | 0.47772 (7) | 0.0339 (3) | |
O3 | 0.5687 (2) | 0.4785 (3) | 0.5845 (2) | 0.0671 (10) | |
O4 | 0.4656 (2) | 0.3371 (4) | 0.7413 (2) | 0.0865 (13) | |
N2 | 0.5166 (2) | 0.4106 (3) | 0.6634 (3) | 0.0565 (11) | |
C20 | 0.4471 (2) | 0.2403 (4) | 0.5477 (2) | 0.0363 (9) | |
C21 | 0.4925 (2) | 0.3191 (4) | 0.5365 (3) | 0.0417 (10) | |
C22 | 0.5246 (3) | 0.4027 (4) | 0.5953 (3) | 0.0515 (12) | |
C23 | 0.4745 (3) | 0.3340 (5) | 0.6733 (3) | 0.0581 (12) | |
C24 | 0.4384 (3) | 0.2479 (4) | 0.6179 (3) | 0.0486 (11) | |
H24A | 0.4087 | 0.1959 | 0.6276 | 0.058* | |
C25 | 0.5946 (5) | 0.5728 (7) | 0.6372 (6) | 0.133 (3) | |
H25A | 0.6435 | 0.5983 | 0.6429 | 0.200* | |
H25B | 0.6018 | 0.5536 | 0.6912 | 0.200* | |
H25C | 0.5559 | 0.6302 | 0.6132 | 0.200* | |
C26 | 0.5021 (5) | 0.4223 (8) | 0.7998 (5) | 0.136 (4) | |
H26A | 0.4906 | 0.4139 | 0.8445 | 0.204* | |
H26B | 0.4828 | 0.4923 | 0.7731 | 0.204* | |
H26C | 0.5579 | 0.4189 | 0.8217 | 0.204* | |
C27 | 0.3274 (2) | 0.0716 (4) | 0.4946 (3) | 0.0419 (10) | |
C28 | 0.3436 (2) | 0.0060 (4) | 0.5616 (3) | 0.0518 (12) | |
H28A | 0.3952 | −0.0151 | 0.5979 | 0.062* | |
C29 | 0.2837 (3) | −0.0293 (5) | 0.5759 (3) | 0.0640 (14) | |
H29A | 0.2951 | −0.0731 | 0.6220 | 0.077* | |
C30 | 0.2082 (3) | 0.0007 (5) | 0.5219 (4) | 0.0748 (14) | |
H30A | 0.1678 | −0.0215 | 0.5315 | 0.090* | |
C31 | 0.1924 (4) | 0.0612 (7) | 0.4560 (6) | 0.123 (3) | |
H31A | 0.1403 | 0.0795 | 0.4190 | 0.148* | |
C32 | 0.2510 (3) | 0.0990 (6) | 0.4397 (4) | 0.088 (2) | |
H32A | 0.2384 | 0.1417 | 0.3928 | 0.106* | |
C33 | 0.3559 (2) | 0.1692 (4) | 0.3705 (3) | 0.0448 (11) | |
C34 | 0.3509 (4) | 0.0990 (7) | 0.3101 (3) | 0.108 (2) | |
H34A | 0.3790 | 0.0331 | 0.3253 | 0.129* | |
C35 | 0.3047 (5) | 0.1245 (8) | 0.2271 (5) | 0.140 (3) | |
H35A | 0.3031 | 0.0782 | 0.1860 | 0.168* | |
C36 | 0.2595 (4) | 0.2228 (8) | 0.2052 (4) | 0.126 (3) | |
H36A | 0.2240 | 0.2379 | 0.1496 | 0.151* | |
C37 | 0.2682 (3) | 0.2943 (5) | 0.2651 (3) | 0.0742 (17) | |
H37A | 0.2422 | 0.3619 | 0.2505 | 0.089* | |
C38 | 0.3146 (3) | 0.2682 (4) | 0.3468 (3) | 0.0505 (12) | |
H38A | 0.3188 | 0.3172 | 0.3877 | 0.061* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pd1 | 0.0404 (3) | 0.0344 (3) | 0.0483 (3) | 0.000 | 0.0270 (2) | 0.000 |
Cl1 | 0.1217 (13) | 0.0572 (10) | 0.1172 (12) | 0.0419 (10) | 0.0930 (11) | 0.0284 (10) |
P1 | 0.0383 (5) | 0.0389 (7) | 0.0368 (5) | −0.0051 (5) | 0.0201 (5) | −0.0047 (5) |
O1 | 0.0548 (19) | 0.082 (3) | 0.0391 (16) | −0.0184 (19) | 0.0085 (14) | −0.0111 (19) |
O2 | 0.076 (2) | 0.052 (2) | 0.0520 (19) | −0.0232 (19) | 0.0265 (17) | 0.0040 (19) |
N1 | 0.049 (2) | 0.045 (2) | 0.048 (2) | −0.0108 (19) | 0.0226 (18) | −0.011 (2) |
C1 | 0.042 (2) | 0.038 (3) | 0.033 (2) | −0.0039 (19) | 0.0189 (18) | −0.003 (2) |
C2 | 0.045 (2) | 0.048 (3) | 0.035 (2) | −0.005 (2) | 0.0173 (19) | 0.001 (2) |
C3 | 0.037 (2) | 0.057 (3) | 0.033 (2) | −0.005 (2) | 0.0128 (18) | −0.003 (2) |
C4 | 0.049 (3) | 0.041 (3) | 0.046 (3) | −0.012 (2) | 0.024 (2) | −0.006 (2) |
C5 | 0.045 (2) | 0.040 (3) | 0.036 (2) | 0.000 (2) | 0.0192 (19) | −0.005 (2) |
C6 | 0.065 (3) | 0.115 (6) | 0.058 (3) | −0.047 (4) | 0.011 (3) | −0.034 (4) |
C7 | 0.163 (7) | 0.080 (5) | 0.096 (5) | −0.062 (5) | 0.061 (5) | −0.014 (4) |
C8 | 0.042 (2) | 0.055 (3) | 0.048 (2) | 0.003 (2) | 0.026 (2) | −0.005 (2) |
C9 | 0.059 (5) | 0.081 (5) | 0.070 (3) | 0.004 (3) | 0.024 (2) | −0.029 (3) |
C10 | 0.044 (3) | 0.116 (4) | 0.091 (4) | 0.014 (4) | 0.011 (3) | −0.024 (5) |
C11 | 0.061 (4) | 0.103 (4) | 0.101 (5) | 0.029 (4) | 0.039 (4) | 0.010 (5) |
C12 | 0.071 (4) | 0.084 (5) | 0.102 (4) | 0.024 (4) | 0.056 (4) | 0.000 (4) |
C13 | 0.068 (3) | 0.064 (4) | 0.075 (3) | 0.002 (3) | 0.045 (3) | −0.010 (3) |
C14 | 0.079 (3) | 0.043 (3) | 0.045 (3) | −0.022 (3) | 0.034 (3) | −0.008 (2) |
C15 | 0.085 (4) | 0.077 (4) | 0.055 (3) | −0.024 (4) | 0.013 (3) | 0.020 (4) |
C16 | 0.143 (7) | 0.100 (6) | 0.073 (4) | −0.067 (5) | −0.005 (4) | 0.027 (4) |
C17 | 0.163 (7) | 0.104 (7) | 0.078 (5) | −0.078 (6) | 0.059 (4) | −0.016 (5) |
C18 | 0.172 (6) | 0.090 (6) | 0.131 (6) | −0.047 (6) | 0.119 (4) | −0.039 (6) |
C19 | 0.163 (6) | 0.086 (6) | 0.109 (5) | −0.024 (5) | 0.114 (5) | −0.013 (4) |
Pd2 | 0.0273 (2) | 0.0288 (3) | 0.0369 (2) | 0.000 | 0.01345 (19) | 0.000 |
Cl2 | 0.0455 (6) | 0.0448 (8) | 0.0821 (8) | −0.0168 (5) | 0.0255 (6) | −0.0162 (7) |
P2 | 0.0324 (5) | 0.0320 (6) | 0.0437 (6) | 0.0011 (5) | 0.0237 (5) | 0.0032 (6) |
O3 | 0.095 (2) | 0.036 (2) | 0.107 (3) | −0.026 (2) | 0.078 (2) | −0.023 (2) |
O4 | 0.109 (3) | 0.109 (3) | 0.073 (2) | −0.053 (3) | 0.069 (2) | −0.038 (3) |
N2 | 0.068 (3) | 0.048 (3) | 0.075 (3) | −0.016 (2) | 0.053 (2) | −0.024 (2) |
C20 | 0.038 (2) | 0.034 (2) | 0.047 (2) | 0.0012 (18) | 0.0288 (19) | −0.001 (2) |
C21 | 0.053 (2) | 0.033 (2) | 0.057 (3) | 0.003 (2) | 0.041 (2) | −0.002 (2) |
C22 | 0.060 (3) | 0.039 (3) | 0.083 (4) | −0.003 (2) | 0.056 (3) | −0.006 (3) |
C23 | 0.066 (3) | 0.065 (3) | 0.062 (3) | −0.009 (3) | 0.046 (2) | −0.014 (3) |
C24 | 0.057 (3) | 0.048 (3) | 0.055 (3) | −0.013 (2) | 0.039 (2) | −0.005 (2) |
C25 | 0.187 (8) | 0.104 (8) | 0.174 (8) | −0.087 (5) | 0.139 (7) | −0.073 (6) |
C26 | 0.175 (7) | 0.169 (9) | 0.103 (5) | −0.081 (7) | 0.099 (6) | −0.077 (6) |
C27 | 0.037 (2) | 0.038 (3) | 0.057 (3) | −0.001 (2) | 0.028 (2) | 0.007 (2) |
C28 | 0.043 (2) | 0.058 (4) | 0.056 (3) | −0.008 (2) | 0.027 (2) | 0.009 (3) |
C29 | 0.071 (3) | 0.066 (4) | 0.064 (3) | −0.014 (3) | 0.040 (3) | 0.009 (3) |
C30 | 0.057 (3) | 0.076 (4) | 0.114 (3) | −0.004 (3) | 0.059 (2) | 0.023 (4) |
C31 | 0.108 (7) | 0.115 (7) | 0.178 (7) | 0.020 (5) | 0.094 (4) | 0.081 (6) |
C32 | 0.049 (3) | 0.105 (5) | 0.117 (5) | 0.012 (3) | 0.046 (3) | 0.062 (4) |
C33 | 0.050 (2) | 0.049 (3) | 0.041 (2) | 0.016 (2) | 0.027 (2) | 0.010 (2) |
C34 | 0.112 (7) | 0.126 (7) | 0.046 (3) | 0.083 (4) | 0.010 (3) | 0.003 (4) |
C35 | 0.152 (8) | 0.157 (9) | 0.089 (8) | 0.085 (6) | 0.043 (3) | 0.001 (6) |
C36 | 0.144 (8) | 0.148 (8) | 0.057 (4) | 0.087 (5) | 0.028 (4) | 0.035 (5) |
C37 | 0.088 (4) | 0.074 (5) | 0.064 (3) | 0.041 (3) | 0.040 (3) | 0.023 (3) |
C38 | 0.058 (3) | 0.045 (3) | 0.055 (3) | 0.014 (2) | 0.033 (2) | 0.010 (2) |
Pd1—P1i | 2.2504 (11) | Pd2—P2ii | 2.2681 (11) |
Pd1—P1 | 2.2504 (11) | Pd2—P2 | 2.2681 (11) |
Pd1—Cl1i | 2.3433 (14) | Pd2—Cl2 | 2.3167 (12) |
Pd1—Cl1 | 2.3433 (14) | Pd2—Cl2ii | 2.3167 (12) |
P1—C8 | 1.812 (4) | P2—C33 | 1.816 (4) |
P1—C1 | 1.822 (4) | P2—C27 | 1.834 (4) |
P1—C14 | 1.828 (5) | P2—C20 | 1.839 (4) |
O1—C3 | 1.348 (5) | O3—C22 | 1.341 (5) |
O1—C6 | 1.441 (6) | O3—C25 | 1.420 (7) |
O2—C4 | 1.348 (5) | O4—C23 | 1.347 (5) |
O2—C7 | 1.440 (7) | O4—C26 | 1.406 (8) |
N1—C3 | 1.321 (6) | N2—C23 | 1.312 (6) |
N1—C4 | 1.337 (5) | N2—C22 | 1.340 (6) |
C1—C2 | 1.394 (5) | C20—C24 | 1.387 (5) |
C1—C5 | 1.397 (6) | C20—C21 | 1.387 (6) |
C2—C3 | 1.381 (6) | C21—C22 | 1.386 (6) |
C2—H2A | 0.9300 | C21—C21ii | 1.510 (7) |
C4—C5 | 1.392 (6) | C23—C24 | 1.385 (7) |
C5—C5i | 1.511 (8) | C24—H24A | 0.9300 |
C6—H6A | 0.9600 | C25—H25A | 0.9600 |
C6—H6B | 0.9600 | C25—H25B | 0.9600 |
C6—H6C | 0.9600 | C25—H25C | 0.9600 |
C7—H7A | 0.9600 | C26—H26A | 0.9600 |
C7—H7B | 0.9600 | C26—H26B | 0.9600 |
C7—H7C | 0.9600 | C26—H26C | 0.9600 |
C8—C13 | 1.374 (7) | C27—C28 | 1.367 (6) |
C8—C9 | 1.376 (6) | C27—C32 | 1.369 (6) |
C9—C10 | 1.385 (7) | C28—C29 | 1.389 (6) |
C9—H9A | 0.9300 | C28—H28A | 0.9300 |
C10—C11 | 1.335 (9) | C29—C30 | 1.362 (7) |
C10—H10A | 0.9300 | C29—H29A | 0.9300 |
C11—C12 | 1.337 (8) | C30—C31 | 1.316 (9) |
C11—H11A | 0.9300 | C30—H30A | 0.9300 |
C12—C13 | 1.382 (7) | C31—C32 | 1.398 (8) |
C12—H12A | 0.9300 | C31—H31A | 0.9300 |
C13—H13A | 0.9300 | C32—H32A | 0.9300 |
C14—C19 | 1.368 (5) | C33—C34 | 1.365 (7) |
C14—C15 | 1.379 (6) | C33—C38 | 1.390 (6) |
C15—C16 | 1.386 (6) | C34—C35 | 1.374 (9) |
C15—H15A | 0.9300 | C34—H34A | 0.9300 |
C16—C17 | 1.372 (6) | C35—C36 | 1.418 (9) |
C16—H16A | 0.9300 | C35—H35A | 0.9300 |
C17—C18 | 1.366 (6) | C36—C37 | 1.346 (9) |
C17—H17A | 0.9300 | C36—H36A | 0.9300 |
C18—C19 | 1.388 (6) | C37—C38 | 1.357 (6) |
C18—H18A | 0.9300 | C37—H37A | 0.9300 |
C19—H19A | 0.9300 | C38—H38A | 0.9300 |
P1i—Pd1—P1 | 94.57 (6) | P2ii—Pd2—P2 | 93.26 (6) |
P1i—Pd1—Cl1i | 164.02 (5) | P2ii—Pd2—Cl2 | 172.37 (5) |
P1—Pd1—Cl1i | 89.15 (5) | P2—Pd2—Cl2 | 89.97 (4) |
P1i—Pd1—Cl1 | 89.15 (5) | P2ii—Pd2—Cl2ii | 89.97 (4) |
P1—Pd1—Cl1 | 164.02 (5) | P2—Pd2—Cl2ii | 172.37 (5) |
Cl1i—Pd1—Cl1 | 91.52 (8) | Cl2—Pd2—Cl2ii | 87.69 (6) |
C8—P1—C1 | 104.7 (2) | C33—P2—C27 | 103.14 (19) |
C8—P1—C14 | 106.9 (2) | C33—P2—C20 | 108.8 (2) |
C1—P1—C14 | 104.11 (19) | C27—P2—C20 | 103.72 (19) |
C8—P1—Pd1 | 119.46 (15) | C33—P2—Pd2 | 112.62 (14) |
C1—P1—Pd1 | 112.60 (14) | C27—P2—Pd2 | 114.76 (15) |
C14—P1—Pd1 | 107.90 (16) | C20—P2—Pd2 | 113.01 (13) |
C3—O1—C6 | 117.4 (4) | C22—O3—C25 | 119.2 (4) |
C4—O2—C7 | 118.6 (4) | C23—O4—C26 | 118.9 (5) |
C3—N1—C4 | 117.0 (4) | C23—N2—C22 | 116.7 (4) |
C2—C1—C5 | 118.7 (4) | C24—C20—C21 | 118.3 (4) |
C2—C1—P1 | 120.7 (3) | C24—C20—P2 | 120.1 (3) |
C5—C1—P1 | 120.6 (3) | C21—C20—P2 | 121.3 (3) |
C3—C2—C1 | 118.1 (4) | C22—C21—C20 | 117.5 (3) |
C3—C2—H2A | 120.9 | C22—C21—C21ii | 119.0 (3) |
C1—C2—H2A | 120.9 | C20—C21—C21ii | 123.5 (3) |
N1—C3—O1 | 119.5 (4) | N2—C22—O3 | 118.0 (4) |
N1—C3—C2 | 124.5 (4) | N2—C22—C21 | 124.5 (4) |
O1—C3—C2 | 116.0 (4) | O3—C22—C21 | 117.4 (4) |
N1—C4—O2 | 118.3 (4) | N2—C23—O4 | 119.1 (5) |
N1—C4—C5 | 124.1 (4) | N2—C23—C24 | 123.9 (4) |
O2—C4—C5 | 117.6 (4) | O4—C23—C24 | 116.9 (5) |
C4—C5—C1 | 117.5 (4) | C23—C24—C20 | 118.9 (4) |
C4—C5—C5i | 118.7 (3) | C23—C24—H24A | 120.5 |
C1—C5—C5i | 123.7 (3) | C20—C24—H24A | 120.5 |
O1—C6—H6A | 109.5 | O3—C25—H25A | 109.5 |
O1—C6—H6B | 109.5 | O3—C25—H25B | 109.5 |
H6A—C6—H6B | 109.5 | H25A—C25—H25B | 109.5 |
O1—C6—H6C | 109.5 | O3—C25—H25C | 109.5 |
H6A—C6—H6C | 109.5 | H25A—C25—H25C | 109.5 |
H6B—C6—H6C | 109.5 | H25B—C25—H25C | 109.5 |
O2—C7—H7A | 109.5 | O4—C26—H26A | 109.5 |
O2—C7—H7B | 109.5 | O4—C26—H26B | 109.5 |
H7A—C7—H7B | 109.5 | H26A—C26—H26B | 109.5 |
O2—C7—H7C | 109.5 | O4—C26—H26C | 109.5 |
H7A—C7—H7C | 109.5 | H26A—C26—H26C | 109.5 |
H7B—C7—H7C | 109.5 | H26B—C26—H26C | 109.5 |
C13—C8—C9 | 118.5 (5) | C28—C27—C32 | 119.3 (4) |
C13—C8—P1 | 121.9 (4) | C28—C27—P2 | 120.1 (3) |
C9—C8—P1 | 119.5 (4) | C32—C27—P2 | 120.5 (4) |
C8—C9—C10 | 119.9 (6) | C27—C28—C29 | 120.6 (4) |
C8—C9—H9A | 120.0 | C27—C28—H28A | 119.7 |
C10—C9—H9A | 120.0 | C29—C28—H28A | 119.7 |
C11—C10—C9 | 120.5 (6) | C30—C29—C28 | 119.4 (5) |
C11—C10—H10A | 119.8 | C30—C29—H29A | 120.3 |
C9—C10—H10A | 119.8 | C28—C29—H29A | 120.3 |
C10—C11—C12 | 120.5 (6) | C31—C30—C29 | 120.0 (5) |
C10—C11—H11A | 119.7 | C31—C30—H30A | 120.0 |
C12—C11—H11A | 119.7 | C29—C30—H30A | 120.0 |
C11—C12—C13 | 120.9 (6) | C30—C31—C32 | 122.3 (7) |
C11—C12—H12A | 119.6 | C30—C31—H31A | 118.8 |
C13—C12—H12A | 119.6 | C32—C31—H31A | 118.8 |
C8—C13—C12 | 119.7 (5) | C27—C32—C31 | 118.3 (6) |
C8—C13—H13A | 120.2 | C27—C32—H32A | 120.8 |
C12—C13—H13A | 120.2 | C31—C32—H32A | 120.8 |
C19—C14—C15 | 118.9 (5) | C34—C33—C38 | 119.0 (4) |
C19—C14—P1 | 122.2 (4) | C34—C33—P2 | 117.5 (4) |
C15—C14—P1 | 118.9 (4) | C38—C33—P2 | 123.1 (3) |
C14—C15—C16 | 121.9 (6) | C33—C34—C35 | 120.7 (6) |
C14—C15—H15A | 119.1 | C33—C34—H34A | 119.7 |
C16—C15—H15A | 119.1 | C35—C34—H34A | 119.7 |
C17—C16—C15 | 116.1 (7) | C34—C35—C36 | 118.7 (7) |
C17—C16—H16A | 122.0 | C34—C35—H35A | 120.6 |
C15—C16—H16A | 122.0 | C36—C35—H35A | 120.6 |
C18—C17—C16 | 124.7 (7) | C37—C36—C35 | 120.0 (6) |
C18—C17—H17A | 117.6 | C37—C36—H36A | 120.0 |
C16—C17—H17A | 117.6 | C35—C36—H36A | 120.0 |
C17—C18—C19 | 116.7 (7) | C36—C37—C38 | 120.2 (5) |
C17—C18—H18A | 121.6 | C36—C37—H37A | 119.9 |
C19—C18—H18A | 121.6 | C38—C37—H37A | 119.9 |
C14—C19—C18 | 121.6 (6) | C37—C38—C33 | 121.1 (5) |
C14—C19—H19A | 119.2 | C37—C38—H38A | 119.4 |
C18—C19—H19A | 119.2 | C33—C38—H38A | 119.4 |
P1i—Pd1—P1—C8 | 84.13 (18) | P2ii—Pd2—P2—C33 | 84.79 (18) |
Cl1i—Pd1—P1—C8 | −80.32 (18) | Cl2—Pd2—P2—C33 | −88.28 (18) |
Cl1—Pd1—P1—C8 | −172.9 (2) | Cl2ii—Pd2—P2—C33 | −160.3 (4) |
P1i—Pd1—P1—C1 | −39.31 (14) | P2ii—Pd2—P2—C27 | −157.60 (17) |
Cl1i—Pd1—P1—C1 | 156.25 (15) | Cl2—Pd2—P2—C27 | 29.32 (16) |
Cl1—Pd1—P1—C1 | 63.7 (2) | Cl2ii—Pd2—P2—C27 | −42.7 (4) |
P1i—Pd1—P1—C14 | −153.63 (16) | P2ii—Pd2—P2—C20 | −38.94 (13) |
Cl1i—Pd1—P1—C14 | 41.93 (16) | Cl2—Pd2—P2—C20 | 147.98 (15) |
Cl1—Pd1—P1—C14 | −50.6 (3) | Cl2ii—Pd2—P2—C20 | 75.9 (4) |
C8—P1—C1—C2 | 124.0 (4) | C33—P2—C20—C24 | 134.4 (4) |
C14—P1—C1—C2 | 11.9 (4) | C27—P2—C20—C24 | 25.1 (4) |
Pd1—P1—C1—C2 | −104.7 (3) | Pd2—P2—C20—C24 | −99.8 (3) |
C8—P1—C1—C5 | −58.1 (4) | C33—P2—C20—C21 | −51.8 (4) |
C14—P1—C1—C5 | −170.1 (4) | C27—P2—C20—C21 | −161.1 (4) |
Pd1—P1—C1—C5 | 73.2 (4) | Pd2—P2—C20—C21 | 74.0 (4) |
C5—C1—C2—C3 | 0.9 (6) | C24—C20—C21—C22 | −1.8 (6) |
P1—C1—C2—C3 | 178.9 (3) | P2—C20—C21—C22 | −175.8 (3) |
C4—N1—C3—O1 | −179.4 (4) | C24—C20—C21—C21ii | 179.1 (4) |
C4—N1—C3—C2 | 0.6 (7) | P2—C20—C21—C21ii | 5.2 (6) |
C6—O1—C3—N1 | 6.8 (7) | C23—N2—C22—O3 | −178.6 (4) |
C6—O1—C3—C2 | −173.2 (4) | C23—N2—C22—C21 | −1.0 (7) |
C1—C2—C3—N1 | −1.6 (7) | C25—O3—C22—N2 | −10.0 (8) |
C1—C2—C3—O1 | 178.4 (4) | C25—O3—C22—C21 | 172.3 (6) |
C3—N1—C4—O2 | −178.9 (4) | C20—C21—C22—N2 | 2.1 (7) |
C3—N1—C4—C5 | 1.2 (7) | C21ii—C21—C22—N2 | −178.8 (5) |
C7—O2—C4—N1 | −4.1 (7) | C20—C21—C22—O3 | 179.7 (4) |
C7—O2—C4—C5 | 175.8 (5) | C21ii—C21—C22—O3 | −1.2 (7) |
N1—C4—C5—C1 | −1.8 (7) | C22—N2—C23—O4 | 179.0 (5) |
O2—C4—C5—C1 | 178.3 (4) | C22—N2—C23—C24 | −0.3 (8) |
N1—C4—C5—C5i | 175.4 (4) | C26—O4—C23—N2 | −0.3 (9) |
O2—C4—C5—C5i | −4.6 (7) | C26—O4—C23—C24 | 179.2 (6) |
C2—C1—C5—C4 | 0.7 (6) | N2—C23—C24—C20 | 0.5 (8) |
P1—C1—C5—C4 | −177.3 (3) | O4—C23—C24—C20 | −178.9 (5) |
C2—C1—C5—C5i | −176.4 (4) | C21—C20—C24—C23 | 0.6 (7) |
P1—C1—C5—C5i | 5.7 (6) | P2—C20—C24—C23 | 174.6 (4) |
C1—P1—C8—C13 | −37.0 (4) | C33—P2—C27—C28 | 165.1 (4) |
C14—P1—C8—C13 | 73.1 (5) | C20—P2—C27—C28 | −81.5 (4) |
Pd1—P1—C8—C13 | −164.2 (4) | Pd2—P2—C27—C28 | 42.2 (4) |
C1—P1—C8—C9 | 143.7 (4) | C33—P2—C27—C32 | −14.0 (5) |
C14—P1—C8—C9 | −106.2 (4) | C20—P2—C27—C32 | 99.4 (5) |
Pd1—P1—C8—C9 | 16.5 (5) | Pd2—P2—C27—C32 | −136.9 (5) |
C13—C8—C9—C10 | −1.3 (8) | C32—C27—C28—C29 | −2.4 (8) |
P1—C8—C9—C10 | 178.1 (5) | P2—C27—C28—C29 | 178.5 (4) |
C8—C9—C10—C11 | 1.2 (10) | C27—C28—C29—C30 | 0.9 (9) |
C9—C10—C11—C12 | −1.0 (11) | C28—C29—C30—C31 | 1.1 (10) |
C10—C11—C12—C13 | 1.1 (11) | C29—C30—C31—C32 | −1.5 (13) |
C9—C8—C13—C12 | 1.3 (8) | C28—C27—C32—C31 | 1.9 (10) |
P1—C8—C13—C12 | −178.0 (4) | P2—C27—C32—C31 | −179.0 (6) |
C11—C12—C13—C8 | −1.2 (9) | C30—C31—C32—C27 | 0.0 (13) |
C8—P1—C14—C19 | −4.2 (5) | C27—P2—C33—C34 | −97.1 (5) |
C1—P1—C14—C19 | 106.3 (5) | C20—P2—C33—C34 | 153.3 (5) |
Pd1—P1—C14—C19 | −133.9 (4) | Pd2—P2—C33—C34 | 27.2 (5) |
C8—P1—C14—C15 | 174.6 (4) | C27—P2—C33—C38 | 75.5 (4) |
C1—P1—C14—C15 | −74.9 (5) | C20—P2—C33—C38 | −34.2 (4) |
Pd1—P1—C14—C15 | 45.0 (5) | Pd2—P2—C33—C38 | −160.3 (3) |
C19—C14—C15—C16 | −4.7 (9) | C38—C33—C34—C35 | −1.1 (11) |
P1—C14—C15—C16 | 176.5 (5) | P2—C33—C34—C35 | 171.8 (7) |
C14—C15—C16—C17 | 4.0 (10) | C33—C34—C35—C36 | −2.9 (14) |
C15—C16—C17—C18 | −0.6 (12) | C34—C35—C36—C37 | 6.4 (14) |
C16—C17—C18—C19 | −1.9 (12) | C35—C36—C37—C38 | −6.0 (12) |
C15—C14—C19—C18 | 1.9 (9) | C36—C37—C38—C33 | 2.0 (9) |
P1—C14—C19—C18 | −179.3 (5) | C34—C33—C38—C37 | 1.6 (8) |
C17—C18—C19—C14 | 1.3 (10) | P2—C33—C38—C37 | −170.8 (4) |
Symmetry codes: (i) −x, y, −z; (ii) −x+1, y, −z+1. |