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The title compound, [PdCl2(C38H34N2O4P2)], is effective in enantioselective bis-alkoxy­carbonyl­ation of styrene. The Pd atoms are located on twofold rotation axes, and there are two independent half-mol­ecules in the asymmetric unit. In the bipyridine systems, the pyridine rings make dihedral angles of 65.2 (6) and 67.9 (7)° with respect to each other.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802009558/ob6134sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536802009558/ob6134Isup2.hkl
Contains datablock I

CCDC reference: 189860

Key indicators

  • Single-crystal X-ray study
  • T = 294 K
  • Mean [sigma](C-C) = 0.009 Å
  • R factor = 0.068
  • wR factor = 0.155
  • Data-to-parameter ratio = 19.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 66 CL2 -PD2 -P2 -C33 -160.30 0.40 2.656 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 69 CL2 -PD2 -P2 -C27 -42.70 0.40 2.656 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 72 CL2 -PD2 -P2 -C20 75.90 0.40 2.656 1.555 1.555 1.555 PLAT_731 Alert C Bond Calc 1.370(11), Rep 1.368(5) .... 2.20 s.u-Ratio C14 -C19 1.555 1.555 PLAT_731 Alert C Bond Calc 1.373(15), Rep 1.372(6) .... 2.50 s.u-Ratio C16 -C17 1.555 1.555 PLAT_731 Alert C Bond Calc 1.366(13), Rep 1.366(6) .... 2.17 s.u-Ratio C17 -C18 1.555 1.555 General Notes
REFLT_03 From the CIF: _diffrn_reflns_theta_max 27.51 From the CIF: _reflns_number_total 6304 Count of symmetry unique reflns 4564 Completeness (_total/calc) 138.12% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1740 Fraction of Friedel pairs measured 0.381 Are heavy atom types Z>Si present yes WARNING: Large fraction of Friedel related reflns may be needed to determine absolute structure
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
6 Alert Level C = Please check

Computing details top

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.

A Cationic Palladium (R)-2,2',6,6'-Tetramethoxy-4,4'-Bis(diphenylphosphino)- 3,3'-Bipyridine Complex top
Crystal data top
[PdCl2(C38H34N2O4P2)]F(000) = 1672
Mr = 821.91Dx = 1.439 Mg m3
Monoclinic, C2Mo Kα radiation, λ = 0.71073 Å
a = 19.551 (3) ÅCell parameters from 7972 reflections
b = 12.1135 (19) Åθ = 1–27.5°
c = 18.410 (3) ŵ = 0.76 mm1
β = 119.529 (3)°T = 294 K
V = 3793.7 (10) Å3Plate, red
Z = 40.28 × 0.24 × 0.22 mm
Data collection top
Siemens CCD area-detector
diffractometer
6304 independent reflections
Radiation source: fine-focus sealed tube5366 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.031
φ and ω scansθmax = 27.5°, θmin = 2.1°
Absorption correction: empirical (using intensity measurements)
(SADABS; Sheldrick, 1996)
h = 2524
Tmin = 0.816, Tmax = 0.851k = 159
12943 measured reflectionsl = 2323
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.068H-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 reflectionsΔρmax = 0.64 e Å3
433 parametersΔρmin = 0.35 e Å3
1 restraintAbsolute structure: (Flack, 1983), 1740 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.01 (10)
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pd10.00000.33049 (4)0.00000.03876 (13)
Cl10.06969 (10)0.19553 (13)0.02810 (11)0.0839 (5)
P10.03788 (6)0.45652 (10)0.06288 (6)0.0373 (3)
O10.17941 (18)0.6860 (3)0.29516 (18)0.0648 (10)
O20.08494 (19)0.8132 (3)0.02641 (18)0.0624 (9)
N10.1330 (2)0.7517 (3)0.1615 (2)0.0479 (10)
C10.0282 (2)0.5746 (4)0.1016 (2)0.0377 (10)
C20.0811 (2)0.5864 (4)0.1866 (2)0.0440 (11)
H2A0.08290.53500.22500.053*
C30.1307 (2)0.6766 (4)0.2122 (2)0.0444 (11)
C40.0830 (3)0.7389 (4)0.0799 (3)0.0456 (11)
C50.0287 (2)0.6533 (4)0.0463 (2)0.0405 (10)
C60.2256 (3)0.7853 (6)0.3248 (3)0.087 (2)
H6A0.25240.78650.38470.131*
H6B0.19180.84850.30340.131*
H6C0.26350.78710.30600.131*
C70.1369 (4)0.9066 (6)0.0600 (5)0.114 (3)
H7A0.13400.95020.01500.171*
H7B0.18980.88110.09450.171*
H7C0.12140.95080.09270.171*
C80.1353 (2)0.5162 (4)0.0059 (3)0.0464 (12)
C90.1916 (3)0.4656 (5)0.0656 (3)0.0735 (17)
H9A0.17910.40240.08540.088*
C100.2670 (3)0.5087 (7)0.1082 (4)0.0934 (16)
H10A0.30520.47360.15600.112*
C110.2851 (4)0.6004 (7)0.0811 (4)0.0887 (16)
H11A0.33560.62940.11070.106*
C120.2312 (4)0.6510 (6)0.0118 (4)0.0800 (18)
H12A0.24490.71410.00680.096*
C130.1554 (3)0.6106 (5)0.0325 (3)0.0644 (15)
H13A0.11810.64720.08000.077*
C140.0297 (3)0.3935 (4)0.1570 (3)0.0540 (13)
C150.0369 (3)0.3337 (5)0.2085 (3)0.0816 (18)
H15A0.07490.32330.19270.098*
C160.0488 (5)0.2888 (6)0.2831 (4)0.130 (4)
H16A0.09510.25230.31950.157*
C170.0117 (5)0.3012 (7)0.3001 (5)0.115 (3)
H17A0.00530.27110.34950.138*
C180.0807 (5)0.3546 (6)0.2495 (4)0.112 (2)
H18A0.12070.35910.26290.134*
C190.0881 (4)0.4019 (6)0.1774 (4)0.099 (2)
H19A0.13380.44030.14200.118*
Pd20.50000.00810 (3)0.50000.03204 (12)
Cl20.40637 (6)0.14603 (10)0.46162 (8)0.0600 (3)
P20.40733 (6)0.12048 (10)0.47772 (7)0.0339 (3)
O30.5687 (2)0.4785 (3)0.5845 (2)0.0671 (10)
O40.4656 (2)0.3371 (4)0.7413 (2)0.0865 (13)
N20.5166 (2)0.4106 (3)0.6634 (3)0.0565 (11)
C200.4471 (2)0.2403 (4)0.5477 (2)0.0363 (9)
C210.4925 (2)0.3191 (4)0.5365 (3)0.0417 (10)
C220.5246 (3)0.4027 (4)0.5953 (3)0.0515 (12)
C230.4745 (3)0.3340 (5)0.6733 (3)0.0581 (12)
C240.4384 (3)0.2479 (4)0.6179 (3)0.0486 (11)
H24A0.40870.19590.62760.058*
C250.5946 (5)0.5728 (7)0.6372 (6)0.133 (3)
H25A0.64350.59830.64290.200*
H25B0.60180.55360.69120.200*
H25C0.55590.63020.61320.200*
C260.5021 (5)0.4223 (8)0.7998 (5)0.136 (4)
H26A0.49060.41390.84450.204*
H26B0.48280.49230.77310.204*
H26C0.55790.41890.82170.204*
C270.3274 (2)0.0716 (4)0.4946 (3)0.0419 (10)
C280.3436 (2)0.0060 (4)0.5616 (3)0.0518 (12)
H28A0.39520.01510.59790.062*
C290.2837 (3)0.0293 (5)0.5759 (3)0.0640 (14)
H29A0.29510.07310.62200.077*
C300.2082 (3)0.0007 (5)0.5219 (4)0.0748 (14)
H30A0.16780.02150.53150.090*
C310.1924 (4)0.0612 (7)0.4560 (6)0.123 (3)
H31A0.14030.07950.41900.148*
C320.2510 (3)0.0990 (6)0.4397 (4)0.088 (2)
H32A0.23840.14170.39280.106*
C330.3559 (2)0.1692 (4)0.3705 (3)0.0448 (11)
C340.3509 (4)0.0990 (7)0.3101 (3)0.108 (2)
H34A0.37900.03310.32530.129*
C350.3047 (5)0.1245 (8)0.2271 (5)0.140 (3)
H35A0.30310.07820.18600.168*
C360.2595 (4)0.2228 (8)0.2052 (4)0.126 (3)
H36A0.22400.23790.14960.151*
C370.2682 (3)0.2943 (5)0.2651 (3)0.0742 (17)
H37A0.24220.36190.25050.089*
C380.3146 (3)0.2682 (4)0.3468 (3)0.0505 (12)
H38A0.31880.31720.38770.061*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pd10.0404 (3)0.0344 (3)0.0483 (3)0.0000.0270 (2)0.000
Cl10.1217 (13)0.0572 (10)0.1172 (12)0.0419 (10)0.0930 (11)0.0284 (10)
P10.0383 (5)0.0389 (7)0.0368 (5)0.0051 (5)0.0201 (5)0.0047 (5)
O10.0548 (19)0.082 (3)0.0391 (16)0.0184 (19)0.0085 (14)0.0111 (19)
O20.076 (2)0.052 (2)0.0520 (19)0.0232 (19)0.0265 (17)0.0040 (19)
N10.049 (2)0.045 (2)0.048 (2)0.0108 (19)0.0226 (18)0.011 (2)
C10.042 (2)0.038 (3)0.033 (2)0.0039 (19)0.0189 (18)0.003 (2)
C20.045 (2)0.048 (3)0.035 (2)0.005 (2)0.0173 (19)0.001 (2)
C30.037 (2)0.057 (3)0.033 (2)0.005 (2)0.0128 (18)0.003 (2)
C40.049 (3)0.041 (3)0.046 (3)0.012 (2)0.024 (2)0.006 (2)
C50.045 (2)0.040 (3)0.036 (2)0.000 (2)0.0192 (19)0.005 (2)
C60.065 (3)0.115 (6)0.058 (3)0.047 (4)0.011 (3)0.034 (4)
C70.163 (7)0.080 (5)0.096 (5)0.062 (5)0.061 (5)0.014 (4)
C80.042 (2)0.055 (3)0.048 (2)0.003 (2)0.026 (2)0.005 (2)
C90.059 (5)0.081 (5)0.070 (3)0.004 (3)0.024 (2)0.029 (3)
C100.044 (3)0.116 (4)0.091 (4)0.014 (4)0.011 (3)0.024 (5)
C110.061 (4)0.103 (4)0.101 (5)0.029 (4)0.039 (4)0.010 (5)
C120.071 (4)0.084 (5)0.102 (4)0.024 (4)0.056 (4)0.000 (4)
C130.068 (3)0.064 (4)0.075 (3)0.002 (3)0.045 (3)0.010 (3)
C140.079 (3)0.043 (3)0.045 (3)0.022 (3)0.034 (3)0.008 (2)
C150.085 (4)0.077 (4)0.055 (3)0.024 (4)0.013 (3)0.020 (4)
C160.143 (7)0.100 (6)0.073 (4)0.067 (5)0.005 (4)0.027 (4)
C170.163 (7)0.104 (7)0.078 (5)0.078 (6)0.059 (4)0.016 (5)
C180.172 (6)0.090 (6)0.131 (6)0.047 (6)0.119 (4)0.039 (6)
C190.163 (6)0.086 (6)0.109 (5)0.024 (5)0.114 (5)0.013 (4)
Pd20.0273 (2)0.0288 (3)0.0369 (2)0.0000.01345 (19)0.000
Cl20.0455 (6)0.0448 (8)0.0821 (8)0.0168 (5)0.0255 (6)0.0162 (7)
P20.0324 (5)0.0320 (6)0.0437 (6)0.0011 (5)0.0237 (5)0.0032 (6)
O30.095 (2)0.036 (2)0.107 (3)0.026 (2)0.078 (2)0.023 (2)
O40.109 (3)0.109 (3)0.073 (2)0.053 (3)0.069 (2)0.038 (3)
N20.068 (3)0.048 (3)0.075 (3)0.016 (2)0.053 (2)0.024 (2)
C200.038 (2)0.034 (2)0.047 (2)0.0012 (18)0.0288 (19)0.001 (2)
C210.053 (2)0.033 (2)0.057 (3)0.003 (2)0.041 (2)0.002 (2)
C220.060 (3)0.039 (3)0.083 (4)0.003 (2)0.056 (3)0.006 (3)
C230.066 (3)0.065 (3)0.062 (3)0.009 (3)0.046 (2)0.014 (3)
C240.057 (3)0.048 (3)0.055 (3)0.013 (2)0.039 (2)0.005 (2)
C250.187 (8)0.104 (8)0.174 (8)0.087 (5)0.139 (7)0.073 (6)
C260.175 (7)0.169 (9)0.103 (5)0.081 (7)0.099 (6)0.077 (6)
C270.037 (2)0.038 (3)0.057 (3)0.001 (2)0.028 (2)0.007 (2)
C280.043 (2)0.058 (4)0.056 (3)0.008 (2)0.027 (2)0.009 (3)
C290.071 (3)0.066 (4)0.064 (3)0.014 (3)0.040 (3)0.009 (3)
C300.057 (3)0.076 (4)0.114 (3)0.004 (3)0.059 (2)0.023 (4)
C310.108 (7)0.115 (7)0.178 (7)0.020 (5)0.094 (4)0.081 (6)
C320.049 (3)0.105 (5)0.117 (5)0.012 (3)0.046 (3)0.062 (4)
C330.050 (2)0.049 (3)0.041 (2)0.016 (2)0.027 (2)0.010 (2)
C340.112 (7)0.126 (7)0.046 (3)0.083 (4)0.010 (3)0.003 (4)
C350.152 (8)0.157 (9)0.089 (8)0.085 (6)0.043 (3)0.001 (6)
C360.144 (8)0.148 (8)0.057 (4)0.087 (5)0.028 (4)0.035 (5)
C370.088 (4)0.074 (5)0.064 (3)0.041 (3)0.040 (3)0.023 (3)
C380.058 (3)0.045 (3)0.055 (3)0.014 (2)0.033 (2)0.010 (2)
Geometric parameters (Å, º) top
Pd1—P1i2.2504 (11)Pd2—P2ii2.2681 (11)
Pd1—P12.2504 (11)Pd2—P22.2681 (11)
Pd1—Cl1i2.3433 (14)Pd2—Cl22.3167 (12)
Pd1—Cl12.3433 (14)Pd2—Cl2ii2.3167 (12)
P1—C81.812 (4)P2—C331.816 (4)
P1—C11.822 (4)P2—C271.834 (4)
P1—C141.828 (5)P2—C201.839 (4)
O1—C31.348 (5)O3—C221.341 (5)
O1—C61.441 (6)O3—C251.420 (7)
O2—C41.348 (5)O4—C231.347 (5)
O2—C71.440 (7)O4—C261.406 (8)
N1—C31.321 (6)N2—C231.312 (6)
N1—C41.337 (5)N2—C221.340 (6)
C1—C21.394 (5)C20—C241.387 (5)
C1—C51.397 (6)C20—C211.387 (6)
C2—C31.381 (6)C21—C221.386 (6)
C2—H2A0.9300C21—C21ii1.510 (7)
C4—C51.392 (6)C23—C241.385 (7)
C5—C5i1.511 (8)C24—H24A0.9300
C6—H6A0.9600C25—H25A0.9600
C6—H6B0.9600C25—H25B0.9600
C6—H6C0.9600C25—H25C0.9600
C7—H7A0.9600C26—H26A0.9600
C7—H7B0.9600C26—H26B0.9600
C7—H7C0.9600C26—H26C0.9600
C8—C131.374 (7)C27—C281.367 (6)
C8—C91.376 (6)C27—C321.369 (6)
C9—C101.385 (7)C28—C291.389 (6)
C9—H9A0.9300C28—H28A0.9300
C10—C111.335 (9)C29—C301.362 (7)
C10—H10A0.9300C29—H29A0.9300
C11—C121.337 (8)C30—C311.316 (9)
C11—H11A0.9300C30—H30A0.9300
C12—C131.382 (7)C31—C321.398 (8)
C12—H12A0.9300C31—H31A0.9300
C13—H13A0.9300C32—H32A0.9300
C14—C191.368 (5)C33—C341.365 (7)
C14—C151.379 (6)C33—C381.390 (6)
C15—C161.386 (6)C34—C351.374 (9)
C15—H15A0.9300C34—H34A0.9300
C16—C171.372 (6)C35—C361.418 (9)
C16—H16A0.9300C35—H35A0.9300
C17—C181.366 (6)C36—C371.346 (9)
C17—H17A0.9300C36—H36A0.9300
C18—C191.388 (6)C37—C381.357 (6)
C18—H18A0.9300C37—H37A0.9300
C19—H19A0.9300C38—H38A0.9300
P1i—Pd1—P194.57 (6)P2ii—Pd2—P293.26 (6)
P1i—Pd1—Cl1i164.02 (5)P2ii—Pd2—Cl2172.37 (5)
P1—Pd1—Cl1i89.15 (5)P2—Pd2—Cl289.97 (4)
P1i—Pd1—Cl189.15 (5)P2ii—Pd2—Cl2ii89.97 (4)
P1—Pd1—Cl1164.02 (5)P2—Pd2—Cl2ii172.37 (5)
Cl1i—Pd1—Cl191.52 (8)Cl2—Pd2—Cl2ii87.69 (6)
C8—P1—C1104.7 (2)C33—P2—C27103.14 (19)
C8—P1—C14106.9 (2)C33—P2—C20108.8 (2)
C1—P1—C14104.11 (19)C27—P2—C20103.72 (19)
C8—P1—Pd1119.46 (15)C33—P2—Pd2112.62 (14)
C1—P1—Pd1112.60 (14)C27—P2—Pd2114.76 (15)
C14—P1—Pd1107.90 (16)C20—P2—Pd2113.01 (13)
C3—O1—C6117.4 (4)C22—O3—C25119.2 (4)
C4—O2—C7118.6 (4)C23—O4—C26118.9 (5)
C3—N1—C4117.0 (4)C23—N2—C22116.7 (4)
C2—C1—C5118.7 (4)C24—C20—C21118.3 (4)
C2—C1—P1120.7 (3)C24—C20—P2120.1 (3)
C5—C1—P1120.6 (3)C21—C20—P2121.3 (3)
C3—C2—C1118.1 (4)C22—C21—C20117.5 (3)
C3—C2—H2A120.9C22—C21—C21ii119.0 (3)
C1—C2—H2A120.9C20—C21—C21ii123.5 (3)
N1—C3—O1119.5 (4)N2—C22—O3118.0 (4)
N1—C3—C2124.5 (4)N2—C22—C21124.5 (4)
O1—C3—C2116.0 (4)O3—C22—C21117.4 (4)
N1—C4—O2118.3 (4)N2—C23—O4119.1 (5)
N1—C4—C5124.1 (4)N2—C23—C24123.9 (4)
O2—C4—C5117.6 (4)O4—C23—C24116.9 (5)
C4—C5—C1117.5 (4)C23—C24—C20118.9 (4)
C4—C5—C5i118.7 (3)C23—C24—H24A120.5
C1—C5—C5i123.7 (3)C20—C24—H24A120.5
O1—C6—H6A109.5O3—C25—H25A109.5
O1—C6—H6B109.5O3—C25—H25B109.5
H6A—C6—H6B109.5H25A—C25—H25B109.5
O1—C6—H6C109.5O3—C25—H25C109.5
H6A—C6—H6C109.5H25A—C25—H25C109.5
H6B—C6—H6C109.5H25B—C25—H25C109.5
O2—C7—H7A109.5O4—C26—H26A109.5
O2—C7—H7B109.5O4—C26—H26B109.5
H7A—C7—H7B109.5H26A—C26—H26B109.5
O2—C7—H7C109.5O4—C26—H26C109.5
H7A—C7—H7C109.5H26A—C26—H26C109.5
H7B—C7—H7C109.5H26B—C26—H26C109.5
C13—C8—C9118.5 (5)C28—C27—C32119.3 (4)
C13—C8—P1121.9 (4)C28—C27—P2120.1 (3)
C9—C8—P1119.5 (4)C32—C27—P2120.5 (4)
C8—C9—C10119.9 (6)C27—C28—C29120.6 (4)
C8—C9—H9A120.0C27—C28—H28A119.7
C10—C9—H9A120.0C29—C28—H28A119.7
C11—C10—C9120.5 (6)C30—C29—C28119.4 (5)
C11—C10—H10A119.8C30—C29—H29A120.3
C9—C10—H10A119.8C28—C29—H29A120.3
C10—C11—C12120.5 (6)C31—C30—C29120.0 (5)
C10—C11—H11A119.7C31—C30—H30A120.0
C12—C11—H11A119.7C29—C30—H30A120.0
C11—C12—C13120.9 (6)C30—C31—C32122.3 (7)
C11—C12—H12A119.6C30—C31—H31A118.8
C13—C12—H12A119.6C32—C31—H31A118.8
C8—C13—C12119.7 (5)C27—C32—C31118.3 (6)
C8—C13—H13A120.2C27—C32—H32A120.8
C12—C13—H13A120.2C31—C32—H32A120.8
C19—C14—C15118.9 (5)C34—C33—C38119.0 (4)
C19—C14—P1122.2 (4)C34—C33—P2117.5 (4)
C15—C14—P1118.9 (4)C38—C33—P2123.1 (3)
C14—C15—C16121.9 (6)C33—C34—C35120.7 (6)
C14—C15—H15A119.1C33—C34—H34A119.7
C16—C15—H15A119.1C35—C34—H34A119.7
C17—C16—C15116.1 (7)C34—C35—C36118.7 (7)
C17—C16—H16A122.0C34—C35—H35A120.6
C15—C16—H16A122.0C36—C35—H35A120.6
C18—C17—C16124.7 (7)C37—C36—C35120.0 (6)
C18—C17—H17A117.6C37—C36—H36A120.0
C16—C17—H17A117.6C35—C36—H36A120.0
C17—C18—C19116.7 (7)C36—C37—C38120.2 (5)
C17—C18—H18A121.6C36—C37—H37A119.9
C19—C18—H18A121.6C38—C37—H37A119.9
C14—C19—C18121.6 (6)C37—C38—C33121.1 (5)
C14—C19—H19A119.2C37—C38—H38A119.4
C18—C19—H19A119.2C33—C38—H38A119.4
P1i—Pd1—P1—C884.13 (18)P2ii—Pd2—P2—C3384.79 (18)
Cl1i—Pd1—P1—C880.32 (18)Cl2—Pd2—P2—C3388.28 (18)
Cl1—Pd1—P1—C8172.9 (2)Cl2ii—Pd2—P2—C33160.3 (4)
P1i—Pd1—P1—C139.31 (14)P2ii—Pd2—P2—C27157.60 (17)
Cl1i—Pd1—P1—C1156.25 (15)Cl2—Pd2—P2—C2729.32 (16)
Cl1—Pd1—P1—C163.7 (2)Cl2ii—Pd2—P2—C2742.7 (4)
P1i—Pd1—P1—C14153.63 (16)P2ii—Pd2—P2—C2038.94 (13)
Cl1i—Pd1—P1—C1441.93 (16)Cl2—Pd2—P2—C20147.98 (15)
Cl1—Pd1—P1—C1450.6 (3)Cl2ii—Pd2—P2—C2075.9 (4)
C8—P1—C1—C2124.0 (4)C33—P2—C20—C24134.4 (4)
C14—P1—C1—C211.9 (4)C27—P2—C20—C2425.1 (4)
Pd1—P1—C1—C2104.7 (3)Pd2—P2—C20—C2499.8 (3)
C8—P1—C1—C558.1 (4)C33—P2—C20—C2151.8 (4)
C14—P1—C1—C5170.1 (4)C27—P2—C20—C21161.1 (4)
Pd1—P1—C1—C573.2 (4)Pd2—P2—C20—C2174.0 (4)
C5—C1—C2—C30.9 (6)C24—C20—C21—C221.8 (6)
P1—C1—C2—C3178.9 (3)P2—C20—C21—C22175.8 (3)
C4—N1—C3—O1179.4 (4)C24—C20—C21—C21ii179.1 (4)
C4—N1—C3—C20.6 (7)P2—C20—C21—C21ii5.2 (6)
C6—O1—C3—N16.8 (7)C23—N2—C22—O3178.6 (4)
C6—O1—C3—C2173.2 (4)C23—N2—C22—C211.0 (7)
C1—C2—C3—N11.6 (7)C25—O3—C22—N210.0 (8)
C1—C2—C3—O1178.4 (4)C25—O3—C22—C21172.3 (6)
C3—N1—C4—O2178.9 (4)C20—C21—C22—N22.1 (7)
C3—N1—C4—C51.2 (7)C21ii—C21—C22—N2178.8 (5)
C7—O2—C4—N14.1 (7)C20—C21—C22—O3179.7 (4)
C7—O2—C4—C5175.8 (5)C21ii—C21—C22—O31.2 (7)
N1—C4—C5—C11.8 (7)C22—N2—C23—O4179.0 (5)
O2—C4—C5—C1178.3 (4)C22—N2—C23—C240.3 (8)
N1—C4—C5—C5i175.4 (4)C26—O4—C23—N20.3 (9)
O2—C4—C5—C5i4.6 (7)C26—O4—C23—C24179.2 (6)
C2—C1—C5—C40.7 (6)N2—C23—C24—C200.5 (8)
P1—C1—C5—C4177.3 (3)O4—C23—C24—C20178.9 (5)
C2—C1—C5—C5i176.4 (4)C21—C20—C24—C230.6 (7)
P1—C1—C5—C5i5.7 (6)P2—C20—C24—C23174.6 (4)
C1—P1—C8—C1337.0 (4)C33—P2—C27—C28165.1 (4)
C14—P1—C8—C1373.1 (5)C20—P2—C27—C2881.5 (4)
Pd1—P1—C8—C13164.2 (4)Pd2—P2—C27—C2842.2 (4)
C1—P1—C8—C9143.7 (4)C33—P2—C27—C3214.0 (5)
C14—P1—C8—C9106.2 (4)C20—P2—C27—C3299.4 (5)
Pd1—P1—C8—C916.5 (5)Pd2—P2—C27—C32136.9 (5)
C13—C8—C9—C101.3 (8)C32—C27—C28—C292.4 (8)
P1—C8—C9—C10178.1 (5)P2—C27—C28—C29178.5 (4)
C8—C9—C10—C111.2 (10)C27—C28—C29—C300.9 (9)
C9—C10—C11—C121.0 (11)C28—C29—C30—C311.1 (10)
C10—C11—C12—C131.1 (11)C29—C30—C31—C321.5 (13)
C9—C8—C13—C121.3 (8)C28—C27—C32—C311.9 (10)
P1—C8—C13—C12178.0 (4)P2—C27—C32—C31179.0 (6)
C11—C12—C13—C81.2 (9)C30—C31—C32—C270.0 (13)
C8—P1—C14—C194.2 (5)C27—P2—C33—C3497.1 (5)
C1—P1—C14—C19106.3 (5)C20—P2—C33—C34153.3 (5)
Pd1—P1—C14—C19133.9 (4)Pd2—P2—C33—C3427.2 (5)
C8—P1—C14—C15174.6 (4)C27—P2—C33—C3875.5 (4)
C1—P1—C14—C1574.9 (5)C20—P2—C33—C3834.2 (4)
Pd1—P1—C14—C1545.0 (5)Pd2—P2—C33—C38160.3 (3)
C19—C14—C15—C164.7 (9)C38—C33—C34—C351.1 (11)
P1—C14—C15—C16176.5 (5)P2—C33—C34—C35171.8 (7)
C14—C15—C16—C174.0 (10)C33—C34—C35—C362.9 (14)
C15—C16—C17—C180.6 (12)C34—C35—C36—C376.4 (14)
C16—C17—C18—C191.9 (12)C35—C36—C37—C386.0 (12)
C15—C14—C19—C181.9 (9)C36—C37—C38—C332.0 (9)
P1—C14—C19—C18179.3 (5)C34—C33—C38—C371.6 (8)
C17—C18—C19—C141.3 (10)P2—C33—C38—C37170.8 (4)
Symmetry codes: (i) x, y, z; (ii) x+1, y, z+1.
 

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