A palladium(0) complex of di­benzyl­idene­acetone and a chelating diphosphine

In the crystal structure of [Pd{η²–PhCH=CHC(O)CH=CHPh}{(C₆H₁₁)₂PCH₂CH₂P(C₆H₁₁)₂}] or [Pd(η²-dba)(dcpe)], where dba is di­benzyl­idene­acetone (C₁₇H₁₄O) and dcpe is 1,2-bis­(di­cyclo­hexyl­phosphino)­ethane (C₂₆H₄₈P₂), the complex has a trigonal-planar coordination and only one double bond of the dba ligand is coordinated to the metal.

Key indicators

• Single-crystal X-ray study
• T = 200 K
• Mean [sigma](C-C) = 0.004 Å
• R factor = 0.040
• wR factor = 0.049
• Data-to-parameter ratio = 18.5

checkCIF results

No syntax errors found



ADDSYM reports no extra symmetry


 Alert Level A:



PLAT_701  Alert A Bond    Calc    3.795(5), Rep    1.385(4), Dev.    482.00 Sigma
                     C10  -C1)     1.555   1.555


 Alert Level C:



PLAT_601  Alert C Structure Contains Solvent Accessible VOIDS of      46.00 A   3


 1 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check

---

Computing details

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.

(II)

Crystal data

[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) Å^3	Plate, orange
Z = 4	0.35 × 0.16 × 0.12 mm

Data collection

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

Refinement on F	0 restraints
Least-squares matrix: full	0 constraints
R[F^2 > 2σ(F^2)] = 0.040	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.049	Weighting scheme based on measured s.u.'s w = 1/[σ^2(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

Special details

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(F_o) 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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	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*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
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)

Geometric parameters (Å, º)

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.