μ-1,2-Bis­(di­cyclo­hexyl­phosphino)­ethane-κ²P:P′-bis{[1,2-bis­(di­cyclo­hexyl­phosphino)­ethane-κ²P,P′]­palladium(0)}

The title compound, [Pd₂(C₂₆H₄₈P₂)₃], crystallizes in an `extended' conformation with crystallographically imposed centrosymmetry. The crystal used was twinned via a 180° rotation about the reciprocal axis (0,0,1). The ratio of the two twin components is 54.16 (4):46.84 (4). The crystal packing involves significant interdigitation of the cyclo­hexyl groups with a considerable number of short H...H contacts.

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](C-C) = 0.004 Å
• R factor = 0.041
• wR factor = 0.089
• Data-to-parameter ratio = 37.9

checkCIF/PLATON results

No syntax errors found



Alert level A
REFLT03_ALERT_3_A  Reflection count > 15% excess reflns - sys abs data present?
           From the CIF: _diffrn_reflns_theta_max           27.50
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total              14762
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         8645
           Completeness (_total/calc)            170.76%

Author Response: This crystal is twinned and final refinement was executed using a SHELXL HKLF 5 reflection file which sets MERGE 0. Thus, equivalent reflections in the data set were not merged because of possible differing degrees of overlap resulting from the twinning. I believe this is the proper way to refine the twinned data but would welcome a suggestion as to how to obtain the desired reflection count. Also, this alert indicates a value of 0 for the item _diffrn_reflns_theta_full from the CIF but as can be seen just above, this CIF has a value of 27.50 for this item.

 _PLAT094_ALERT_2_C:
 Explanation given in _refine_special_details


Alert level B
PLAT021_ALERT_1_B Ratio Unique / Expected Reflections too High ...       1.71

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.28
PLAT155_ALERT_4_C The Triclinic Unitcell is NOT Reduced ..........          ?

   1 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT (Bruker, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2000); software used to prepare material for publication: SHELXTL.

µ-1,2-Bis(dicyclohexylphosphino)ethane-κ²P:P'- bis{[1,2-bis(dicyclohexylphosphino)ethane-κ²P,P']palladium(0)}

Crystal data

[Pd2(C26H48P2)3]	Z = 1
Mr = 1480.55	F(000) = 794
Triclinic, P1	Dx = 1.303 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.732 (1) Å	Cell parameters from 9913 reflections
b = 12.442 (1) Å	θ = 2.3–28.2°
c = 15.523 (1) Å	µ = 0.65 mm^−1
α = 106.244 (2)°	T = 100 K
β = 73.645 (2)°	Plate, yellow
γ = 102.621 (2)°	0.20 × 0.16 × 0.02 mm
V = 1887.4 (3) Å^3

Data collection

Bruker SMART CCD area-detector diffractometer	14762 independent reflections
Radiation source: fine-focus sealed tube	11113 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.034
φ and ω scans	θmax = 27.5°, θmin = 1.4°
Absorption correction: multi-scan (TWINABS; Sheldrick, 2002)	h = −13→13
Tmin = 0.851, Tmax = 0.987	k = −16→15
19239 measured reflections	l = 0→20

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.041	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.089	H-atom parameters constrained
S = 0.94	w = 1/[σ^2(Fo^2) + (0.0366P)^2] where P = (Fo^2 + 2Fc^2)/3
14762 reflections	(Δ/σ)max = 0.002
389 parameters	Δρmax = 1.56 e Å^−3
0 restraints	Δρmin = −0.68 e Å^−3

Special details

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. H-atoms were placed in calculated positions (C—H = 0.99 Å) and included as riding contributions with isotropic displacement parameters 1.2 times those of the attached carbon atoms. The largest features in the final difference map are < 1 Å from the metals atoms and are considered to reflect inadequacies in the absorption correction as a consequence of the plate-like habit of the crystal.

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

	x	y	z	Uiso*/Ueq
Pd	0.87043 (2)	0.207392 (19)	0.198566 (16)	0.01494 (6)
P1	0.84338 (7)	0.12225 (6)	0.31803 (5)	0.01629 (16)
P2	0.75923 (7)	0.34801 (6)	0.29766 (5)	0.01570 (16)
P3	0.95151 (7)	0.17745 (6)	0.04164 (5)	0.01135 (15)
C1	0.9697 (3)	0.0913 (2)	0.36509 (19)	0.0179 (6)
H1	0.9264	0.0769	0.4277	0.021*
C2	1.0795 (3)	0.1913 (2)	0.3752 (2)	0.0197 (6)
H2A	1.0415	0.2597	0.4141	0.024*
H2B	1.1248	0.2060	0.3137	0.024*
C3	1.1790 (3)	0.1683 (2)	0.4192 (2)	0.0227 (7)
H3A	1.2497	0.2342	0.4244	0.027*
H3B	1.1349	0.1578	0.4821	0.027*
C4	1.2383 (3)	0.0630 (2)	0.3615 (2)	0.0253 (7)
H4A	1.2925	0.0776	0.3016	0.030*
H4B	1.2965	0.0460	0.3938	0.030*
C5	1.1339 (3)	−0.0376 (2)	0.3445 (2)	0.0234 (7)
H5A	1.0903	−0.0604	0.4033	0.028*
H5B	1.1757	−0.1018	0.3009	0.028*
C6	1.0307 (3)	−0.0131 (2)	0.3050 (2)	0.0206 (7)
H6A	0.9606	−0.0795	0.3000	0.025*
H6B	1.0719	−0.0010	0.2422	0.025*
C7	0.7247 (3)	−0.0129 (2)	0.31320 (19)	0.0165 (6)
H7	0.7712	−0.0712	0.2635	0.020*
C8	0.6069 (3)	−0.0032 (2)	0.2808 (2)	0.0206 (7)
H8A	0.5566	0.0536	0.3278	0.025*
H8B	0.6380	0.0229	0.2227	0.025*
C9	0.5180 (3)	−0.1168 (2)	0.2651 (2)	0.0231 (7)
H9A	0.4397	−0.1072	0.2478	0.028*
H9B	0.5655	−0.1710	0.2133	0.028*
C10	0.4744 (3)	−0.1642 (2)	0.3500 (2)	0.0251 (7)
H10A	0.4217	−0.2401	0.3358	0.030*
H10B	0.4178	−0.1145	0.3997	0.030*
C11	0.5904 (3)	−0.1737 (2)	0.3834 (2)	0.0262 (7)
H11A	0.6406	−0.2311	0.3371	0.031*
H11B	0.5581	−0.1993	0.4418	0.031*
C12	0.6807 (3)	−0.0602 (2)	0.3990 (2)	0.0228 (7)
H12A	0.6337	−0.0054	0.4509	0.027*
H12B	0.7588	−0.0702	0.4162	0.027*
C13	0.7614 (3)	0.2206 (2)	0.42402 (18)	0.0177 (6)
H13A	0.7005	0.1747	0.4658	0.021*
H13B	0.8295	0.2672	0.4563	0.021*
C14	0.6845 (3)	0.3001 (2)	0.40744 (18)	0.0186 (6)
H14A	0.6786	0.3675	0.4598	0.022*
H14B	0.5940	0.2608	0.4063	0.022*
C15	0.6170 (3)	0.3893 (2)	0.27606 (19)	0.0158 (6)
H15	0.6531	0.4223	0.2206	0.019*
C16	0.5199 (3)	0.2841 (2)	0.2470 (2)	0.0182 (6)
H16A	0.5676	0.2285	0.1966	0.022*
H16B	0.4786	0.2485	0.3000	0.022*
C17	0.4135 (3)	0.3144 (2)	0.2145 (2)	0.0214 (7)
H17A	0.4537	0.3407	0.1567	0.026*
H17B	0.3484	0.2460	0.2008	0.026*
C18	0.3445 (3)	0.4060 (2)	0.2862 (2)	0.0219 (7)
H18A	0.2821	0.4281	0.2603	0.026*
H18B	0.2932	0.3755	0.3404	0.026*
C19	0.4389 (3)	0.5090 (2)	0.3170 (2)	0.0217 (7)
H19A	0.3898	0.5636	0.3676	0.026*
H19B	0.4809	0.5460	0.2650	0.026*
C20	0.5451 (3)	0.4792 (2)	0.35045 (19)	0.0185 (6)
H20A	0.5045	0.4505	0.4070	0.022*
H20B	0.6087	0.5481	0.3660	0.022*
C21	0.8604 (3)	0.4863 (2)	0.33486 (19)	0.0173 (6)
H21	0.8050	0.5340	0.3886	0.021*
C22	0.9761 (3)	0.4682 (2)	0.36416 (19)	0.0197 (7)
H22A	1.0251	0.4134	0.3137	0.024*
H22B	0.9431	0.4352	0.4189	0.024*
C23	1.0688 (3)	0.5775 (2)	0.3872 (2)	0.0221 (7)
H23A	1.1444	0.5608	0.4033	0.027*
H23B	1.0225	0.6295	0.4417	0.027*
C24	1.1188 (3)	0.6352 (2)	0.3071 (2)	0.0276 (8)
H24A	1.1755	0.7078	0.3254	0.033*
H24B	1.1720	0.5864	0.2540	0.033*
C25	1.0036 (3)	0.6568 (2)	0.2796 (2)	0.0253 (7)
H25A	1.0367	0.6913	0.2256	0.030*
H25B	0.9558	0.7113	0.3311	0.030*
C26	0.9088 (3)	0.5478 (2)	0.2555 (2)	0.0249 (7)
H26A	0.9536	0.4969	0.1994	0.030*
H26B	0.8324	0.5664	0.2418	0.030*
C27	0.8374 (2)	0.1719 (2)	−0.03045 (18)	0.0117 (6)
H27	0.8900	0.1677	−0.0954	0.014*
C28	0.7723 (3)	0.2784 (2)	0.00085 (19)	0.0162 (6)
H28A	0.8405	0.3445	−0.0092	0.019*
H28B	0.7317	0.2908	0.0679	0.019*
C29	0.6672 (3)	0.2714 (2)	−0.0504 (2)	0.0195 (6)
H29A	0.6233	0.3396	−0.0238	0.023*
H29B	0.7093	0.2699	−0.1162	0.023*
C30	0.5660 (3)	0.1670 (2)	−0.04361 (19)	0.0178 (6)
H30A	0.5005	0.1633	−0.0786	0.021*
H30B	0.5196	0.1704	0.0218	0.021*
C31	0.6328 (3)	0.0619 (2)	−0.08251 (18)	0.0154 (6)
H31A	0.6760	0.0570	−0.1486	0.018*
H31B	0.5659	−0.0064	−0.0779	0.018*
C32	0.7349 (2)	0.0652 (2)	−0.03011 (18)	0.0131 (6)
H32A	0.7795	−0.0023	−0.0586	0.016*
H32B	0.6900	0.0622	0.0345	0.016*
C33	1.0848 (2)	0.2928 (2)	0.01040 (17)	0.0117 (6)
H33	1.0423	0.3620	0.0260	0.014*
C34	1.1819 (3)	0.3192 (2)	0.07177 (19)	0.0162 (6)
H34A	1.1335	0.3336	0.1374	0.019*
H34B	1.2269	0.2529	0.0588	0.019*
C35	1.2838 (3)	0.4221 (2)	0.05517 (19)	0.0199 (7)
H35A	1.3473	0.4352	0.0939	0.024*
H35B	1.2398	0.4899	0.0733	0.024*
C36	1.3569 (3)	0.4046 (2)	−0.04638 (19)	0.0178 (6)
H36A	1.4195	0.4738	−0.0563	0.021*
H36B	1.4077	0.3412	−0.0630	0.021*
C37	1.2614 (3)	0.3787 (2)	−0.10780 (19)	0.0159 (6)
H37A	1.3105	0.3635	−0.1733	0.019*
H37B	1.2178	0.4455	−0.0956	0.019*
C38	1.1575 (2)	0.2767 (2)	−0.09139 (18)	0.0144 (6)
H38A	1.2000	0.2079	−0.1107	0.017*
H38B	1.0937	0.2657	−0.1295	0.017*
C39	1.0297 (2)	0.0507 (2)	−0.02197 (18)	0.0115 (6)
H39A	1.0197	0.0298	−0.0863	0.014*
H39B	1.1248	0.0689	−0.0239	0.014*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Pd	0.01583 (11)	0.01456 (11)	0.01474 (11)	0.00201 (8)	−0.00347 (9)	0.00428 (9)
P1	0.0181 (4)	0.0154 (4)	0.0162 (4)	0.0028 (3)	−0.0040 (3)	0.0048 (3)
P2	0.0167 (4)	0.0152 (4)	0.0161 (4)	0.0027 (3)	−0.0043 (3)	0.0042 (3)
P3	0.0115 (4)	0.0092 (4)	0.0136 (4)	0.0007 (3)	−0.0026 (3)	0.0040 (3)
C1	0.0187 (15)	0.0188 (15)	0.0188 (16)	0.0023 (12)	−0.0045 (12)	0.0089 (13)
C2	0.0211 (16)	0.0184 (15)	0.0206 (16)	0.0054 (13)	−0.0053 (13)	0.0041 (13)
C3	0.0173 (16)	0.0280 (17)	0.0231 (17)	−0.0013 (13)	−0.0085 (13)	0.0063 (14)
C4	0.0247 (17)	0.0291 (18)	0.0268 (18)	0.0071 (14)	−0.0095 (14)	0.0080 (15)
C5	0.0220 (17)	0.0219 (16)	0.0311 (18)	0.0077 (13)	−0.0038 (14)	0.0125 (15)
C6	0.0195 (16)	0.0174 (15)	0.0256 (17)	0.0011 (12)	−0.0062 (13)	0.0064 (13)
C7	0.0201 (15)	0.0107 (14)	0.0167 (15)	−0.0003 (12)	−0.0046 (12)	0.0017 (12)
C8	0.0177 (16)	0.0201 (16)	0.0240 (17)	0.0005 (13)	−0.0051 (13)	0.0068 (13)
C9	0.0185 (16)	0.0229 (16)	0.0294 (18)	0.0047 (13)	−0.0107 (14)	0.0019 (14)
C10	0.0218 (17)	0.0196 (16)	0.0300 (19)	−0.0039 (13)	−0.0060 (14)	0.0051 (14)
C11	0.0330 (18)	0.0214 (17)	0.0234 (17)	−0.0020 (14)	−0.0056 (14)	0.0095 (14)
C12	0.0259 (17)	0.0222 (16)	0.0214 (17)	−0.0008 (13)	−0.0076 (14)	0.0081 (13)
C13	0.0205 (16)	0.0201 (15)	0.0122 (15)	0.0036 (13)	−0.0028 (12)	0.0039 (12)
C14	0.0196 (16)	0.0200 (16)	0.0143 (15)	0.0038 (13)	−0.0007 (12)	0.0038 (13)
C15	0.0138 (14)	0.0184 (15)	0.0172 (15)	0.0023 (12)	−0.0032 (12)	0.0080 (12)
C16	0.0155 (15)	0.0150 (15)	0.0205 (16)	0.0014 (12)	−0.0032 (12)	0.0001 (12)
C17	0.0198 (16)	0.0215 (16)	0.0253 (18)	−0.0001 (13)	−0.0092 (13)	0.0077 (13)
C18	0.0186 (16)	0.0259 (17)	0.0243 (17)	0.0058 (13)	−0.0042 (13)	0.0095 (14)
C19	0.0199 (16)	0.0220 (16)	0.0243 (17)	0.0097 (13)	−0.0001 (13)	0.0073 (14)
C20	0.0190 (16)	0.0174 (15)	0.0190 (16)	0.0040 (12)	−0.0036 (13)	0.0038 (12)
C21	0.0198 (16)	0.0132 (14)	0.0184 (16)	−0.0001 (12)	−0.0070 (12)	0.0024 (12)
C22	0.0190 (16)	0.0192 (16)	0.0209 (17)	0.0033 (13)	−0.0041 (13)	0.0047 (13)
C23	0.0209 (16)	0.0207 (16)	0.0257 (17)	0.0036 (13)	−0.0093 (13)	0.0026 (13)
C24	0.0255 (18)	0.0165 (16)	0.041 (2)	−0.0042 (13)	−0.0148 (16)	0.0063 (15)
C25	0.0295 (18)	0.0166 (16)	0.0356 (19)	−0.0039 (13)	−0.0165 (15)	0.0120 (14)
C26	0.0259 (17)	0.0221 (17)	0.0324 (19)	−0.0042 (14)	−0.0140 (15)	0.0142 (14)
C27	0.0124 (14)	0.0106 (13)	0.0127 (14)	0.0010 (11)	−0.0041 (11)	0.0032 (11)
C28	0.0148 (15)	0.0128 (14)	0.0226 (16)	−0.0010 (12)	−0.0067 (12)	0.0067 (12)
C29	0.0198 (16)	0.0173 (15)	0.0259 (17)	0.0070 (12)	−0.0066 (13)	0.0074 (13)
C30	0.0164 (15)	0.0192 (15)	0.0218 (16)	0.0044 (12)	−0.0087 (13)	0.0054 (13)
C31	0.0152 (15)	0.0144 (14)	0.0170 (15)	−0.0013 (12)	−0.0062 (12)	0.0045 (12)
C32	0.0102 (14)	0.0116 (14)	0.0183 (15)	0.0016 (11)	−0.0045 (12)	0.0036 (12)
C33	0.0127 (14)	0.0087 (13)	0.0133 (14)	0.0005 (11)	−0.0019 (11)	0.0041 (11)
C34	0.0141 (14)	0.0153 (15)	0.0179 (16)	−0.0025 (12)	−0.0046 (12)	0.0046 (12)
C35	0.0192 (16)	0.0203 (16)	0.0224 (17)	−0.0018 (12)	−0.0099 (13)	0.0070 (13)
C36	0.0140 (15)	0.0154 (15)	0.0249 (17)	−0.0021 (12)	−0.0039 (13)	0.0098 (13)
C37	0.0147 (15)	0.0159 (14)	0.0174 (15)	0.0011 (12)	−0.0014 (12)	0.0078 (12)
C38	0.0119 (14)	0.0129 (14)	0.0177 (15)	−0.0024 (11)	−0.0055 (12)	0.0036 (12)
C39	0.0104 (13)	0.0134 (14)	0.0122 (14)	0.0023 (11)	−0.0029 (11)	0.0047 (11)

Geometric parameters (Å, º)

Pd—P2	2.2857 (8)	C18—H18A	0.9900
Pd—P3	2.2956 (8)	C18—H18B	0.9900
Pd—P1	2.3037 (8)	C19—C20	1.527 (4)
P1—C1	1.861 (3)	C19—H19A	0.9900
P1—C7	1.872 (3)	C19—H19B	0.9900
P1—C13	1.873 (3)	C20—H20A	0.9900
P2—C15	1.853 (3)	C20—H20B	0.9900
P2—C21	1.858 (3)	C21—C22	1.515 (4)
P2—C14	1.869 (3)	C21—C26	1.538 (4)
P3—C39	1.846 (3)	C21—H21	1.0000
P3—C33	1.856 (2)	C22—C23	1.518 (4)
P3—C27	1.857 (3)	C22—H22A	0.9900
C1—C2	1.521 (4)	C22—H22B	0.9900
C1—C6	1.528 (4)	C23—C24	1.518 (4)
C1—H1	1.0000	C23—H23A	0.9900
C2—C3	1.530 (4)	C23—H23B	0.9900
C2—H2A	0.9900	C24—C25	1.513 (4)
C2—H2B	0.9900	C24—H24A	0.9900
C3—C4	1.520 (4)	C24—H24B	0.9900
C3—H3A	0.9900	C25—C26	1.530 (4)
C3—H3B	0.9900	C25—H25A	0.9900
C4—C5	1.504 (4)	C25—H25B	0.9900
C4—H4A	0.9900	C26—H26A	0.9900
C4—H4B	0.9900	C26—H26B	0.9900
C5—C6	1.527 (4)	C27—C32	1.528 (3)
C5—H5A	0.9900	C27—C28	1.528 (3)
C5—H5B	0.9900	C27—H27	1.0000
C6—H6A	0.9900	C28—C29	1.529 (4)
C6—H6B	0.9900	C28—H28A	0.9900
C7—C12	1.519 (4)	C28—H28B	0.9900
C7—C8	1.523 (4)	C29—C30	1.508 (4)
C7—H7	1.0000	C29—H29A	0.9900
C8—C9	1.522 (4)	C29—H29B	0.9900
C8—H8A	0.9900	C30—C31	1.520 (3)
C8—H8B	0.9900	C30—H30A	0.9900
C9—C10	1.507 (4)	C30—H30B	0.9900
C9—H9A	0.9900	C31—C32	1.525 (3)
C9—H9B	0.9900	C31—H31A	0.9900
C10—C11	1.514 (4)	C31—H31B	0.9900
C10—H10A	0.9900	C32—H32A	0.9900
C10—H10B	0.9900	C32—H32B	0.9900
C11—C12	1.529 (4)	C33—C34	1.528 (3)
C11—H11A	0.9900	C33—C38	1.530 (3)
C11—H11B	0.9900	C33—H33	1.0000
C12—H12A	0.9900	C34—C35	1.521 (3)
C12—H12B	0.9900	C34—H34A	0.9900
C13—C14	1.531 (4)	C34—H34B	0.9900
C13—H13A	0.9900	C35—C36	1.528 (4)
C13—H13B	0.9900	C35—H35A	0.9900
C14—H14A	0.9900	C35—H35B	0.9900
C14—H14B	0.9900	C36—C37	1.515 (3)
C15—C20	1.527 (4)	C36—H36A	0.9900
C15—C16	1.530 (3)	C36—H36B	0.9900
C15—H15	1.0000	C37—C38	1.523 (3)
C16—C17	1.523 (4)	C37—H37A	0.9900
C16—H16A	0.9900	C37—H37B	0.9900
C16—H16B	0.9900	C38—H38A	0.9900
C17—C18	1.510 (4)	C38—H38B	0.9900
C17—H17A	0.9900	C39—C39^i	1.532 (5)
C17—H17B	0.9900	C39—H39A	0.9900
C18—C19	1.504 (4)	C39—H39B	0.9900
P2—Pd—P3	129.24 (3)	H18A—C18—H18B	107.9
P2—Pd—P1	90.22 (3)	C18—C19—C20	111.9 (2)
P3—Pd—P1	140.36 (3)	C18—C19—H19A	109.2
C1—P1—C7	101.58 (12)	C20—C19—H19A	109.2
C1—P1—C13	98.65 (12)	C18—C19—H19B	109.2
C7—P1—C13	103.45 (12)	C20—C19—H19B	109.2
C1—P1—Pd	129.42 (9)	H19A—C19—H19B	107.9
C7—P1—Pd	114.69 (9)	C19—C20—C15	110.6 (2)
C13—P1—Pd	105.36 (9)	C19—C20—H20A	109.5
C15—P2—C21	103.22 (12)	C15—C20—H20A	109.5
C15—P2—C14	101.99 (12)	C19—C20—H20B	109.5
C21—P2—C14	103.36 (13)	C15—C20—H20B	109.5
C15—P2—Pd	123.16 (9)	H20A—C20—H20B	108.1
C21—P2—Pd	116.41 (9)	C22—C21—C26	110.3 (2)
C14—P2—Pd	106.17 (9)	C22—C21—P2	110.13 (18)
C39—P3—C33	101.53 (11)	C26—C21—P2	109.86 (18)
C39—P3—C27	101.09 (11)	C22—C21—H21	108.8
C33—P3—C27	102.52 (11)	C26—C21—H21	108.9
C39—P3—Pd	119.64 (8)	P2—C21—H21	108.8
C33—P3—Pd	111.52 (8)	C21—C22—C23	112.4 (2)
C27—P3—Pd	118.00 (9)	C21—C22—H22A	109.1
C2—C1—C6	108.4 (2)	C23—C22—H22A	109.1
C2—C1—P1	111.32 (18)	C21—C22—H22B	109.1
C6—C1—P1	112.52 (19)	C23—C22—H22B	109.1
C2—C1—H1	108.2	H22A—C22—H22B	107.9
C6—C1—H1	108.2	C22—C23—C24	111.8 (2)
P1—C1—H1	108.2	C22—C23—H23A	109.3
C1—C2—C3	111.2 (2)	C24—C23—H23A	109.3
C1—C2—H2A	109.4	C22—C23—H23B	109.3
C3—C2—H2A	109.4	C24—C23—H23B	109.3
C1—C2—H2B	109.4	H23A—C23—H23B	107.9
C3—C2—H2B	109.4	C25—C24—C23	109.6 (2)
H2A—C2—H2B	108.0	C25—C24—H24A	109.8
C4—C3—C2	110.7 (2)	C23—C24—H24A	109.8
C4—C3—H3A	109.5	C25—C24—H24B	109.8
C2—C3—H3A	109.5	C23—C24—H24B	109.8
C4—C3—H3B	109.5	H24A—C24—H24B	108.2
C2—C3—H3B	109.5	C24—C25—C26	111.9 (2)
H3A—C3—H3B	108.1	C24—C25—H25A	109.2
C5—C4—C3	111.6 (2)	C26—C25—H25A	109.2
C5—C4—H4A	109.3	C24—C25—H25B	109.2
C3—C4—H4A	109.3	C26—C25—H25B	109.2
C5—C4—H4B	109.3	H25A—C25—H25B	107.9
C3—C4—H4B	109.3	C25—C26—C21	111.8 (2)
H4A—C4—H4B	108.0	C25—C26—H26A	109.3
C4—C5—C6	112.4 (2)	C21—C26—H26A	109.3
C4—C5—H5A	109.1	C25—C26—H26B	109.3
C6—C5—H5A	109.1	C21—C26—H26B	109.3
C4—C5—H5B	109.1	H26A—C26—H26B	107.9
C6—C5—H5B	109.1	C32—C27—C28	111.2 (2)
H5A—C5—H5B	107.9	C32—C27—P3	110.45 (17)
C5—C6—C1	112.0 (2)	C28—C27—P3	111.52 (17)
C5—C6—H6A	109.2	C32—C27—H27	107.8
C1—C6—H6A	109.2	C28—C27—H27	107.8
C5—C6—H6B	109.2	P3—C27—H27	107.8
C1—C6—H6B	109.2	C27—C28—C29	112.9 (2)
H6A—C6—H6B	107.9	C27—C28—H28A	109.0
C12—C7—C8	111.0 (2)	C29—C28—H28A	109.0
C12—C7—P1	117.20 (19)	C27—C28—H28B	109.0
C8—C7—P1	110.26 (18)	C29—C28—H28B	109.0
C12—C7—H7	105.8	H28A—C28—H28B	107.8
C8—C7—H7	105.8	C30—C29—C28	111.3 (2)
P1—C7—H7	105.8	C30—C29—H29A	109.4
C9—C8—C7	110.9 (2)	C28—C29—H29A	109.4
C9—C8—H8A	109.5	C30—C29—H29B	109.4
C7—C8—H8A	109.5	C28—C29—H29B	109.4
C9—C8—H8B	109.5	H29A—C29—H29B	108.0
C7—C8—H8B	109.5	C29—C30—C31	109.8 (2)
H8A—C8—H8B	108.1	C29—C30—H30A	109.7
C10—C9—C8	111.8 (2)	C31—C30—H30A	109.7
C10—C9—H9A	109.3	C29—C30—H30B	109.7
C8—C9—H9A	109.3	C31—C30—H30B	109.7
C10—C9—H9B	109.3	H30A—C30—H30B	108.2
C8—C9—H9B	109.3	C30—C31—C32	110.9 (2)
H9A—C9—H9B	107.9	C30—C31—H31A	109.5
C9—C10—C11	111.7 (2)	C32—C31—H31A	109.5
C9—C10—H10A	109.3	C30—C31—H31B	109.5
C11—C10—H10A	109.3	C32—C31—H31B	109.5
C9—C10—H10B	109.3	H31A—C31—H31B	108.0
C11—C10—H10B	109.3	C31—C32—C27	112.1 (2)
H10A—C10—H10B	107.9	C31—C32—H32A	109.2
C10—C11—C12	111.2 (2)	C27—C32—H32A	109.2
C10—C11—H11A	109.4	C31—C32—H32B	109.2
C12—C11—H11A	109.4	C27—C32—H32B	109.2
C10—C11—H11B	109.4	H32A—C32—H32B	107.9
C12—C11—H11B	109.4	C34—C33—C38	110.6 (2)
H11A—C11—H11B	108.0	C34—C33—P3	110.11 (17)
C7—C12—C11	111.5 (2)	C38—C33—P3	116.72 (17)
C7—C12—H12A	109.3	C34—C33—H33	106.2
C11—C12—H12A	109.3	C38—C33—H33	106.2
C7—C12—H12B	109.3	P3—C33—H33	106.2
C11—C12—H12B	109.3	C35—C34—C33	111.3 (2)
H12A—C12—H12B	108.0	C35—C34—H34A	109.4
C14—C13—P1	115.58 (19)	C33—C34—H34A	109.4
C14—C13—H13A	108.4	C35—C34—H34B	109.4
P1—C13—H13A	108.4	C33—C34—H34B	109.4
C14—C13—H13B	108.4	H34A—C34—H34B	108.0
P1—C13—H13B	108.4	C34—C35—C36	110.8 (2)
H13A—C13—H13B	107.4	C34—C35—H35A	109.5
C13—C14—P2	113.75 (18)	C36—C35—H35A	109.5
C13—C14—H14A	108.8	C34—C35—H35B	109.5
P2—C14—H14A	108.8	C36—C35—H35B	109.5
C13—C14—H14B	108.8	H35A—C35—H35B	108.1
P2—C14—H14B	108.8	C37—C36—C35	110.7 (2)
H14A—C14—H14B	107.7	C37—C36—H36A	109.5
C20—C15—C16	110.6 (2)	C35—C36—H36A	109.5
C20—C15—P2	118.27 (19)	C37—C36—H36B	109.5
C16—C15—P2	110.32 (18)	C35—C36—H36B	109.5
C20—C15—H15	105.5	H36A—C36—H36B	108.1
C16—C15—H15	105.5	C36—C37—C38	111.8 (2)
P2—C15—H15	105.5	C36—C37—H37A	109.3
C17—C16—C15	111.1 (2)	C38—C37—H37A	109.3
C17—C16—H16A	109.4	C36—C37—H37B	109.3
C15—C16—H16A	109.4	C38—C37—H37B	109.3
C17—C16—H16B	109.4	H37A—C37—H37B	107.9
C15—C16—H16B	109.4	C37—C38—C33	111.3 (2)
H16A—C16—H16B	108.0	C37—C38—H38A	109.4
C18—C17—C16	111.7 (2)	C33—C38—H38A	109.4
C18—C17—H17A	109.3	C37—C38—H38B	109.4
C16—C17—H17A	109.3	C33—C38—H38B	109.4
C18—C17—H17B	109.3	H38A—C38—H38B	108.0
C16—C17—H17B	109.3	C39^i—C39—P3	112.5 (2)
H17A—C17—H17B	107.9	C39^i—C39—H39A	109.1
C19—C18—C17	112.3 (2)	P3—C39—H39A	109.1
C19—C18—H18A	109.1	C39^i—C39—H39B	109.1
C17—C18—H18A	109.1	P3—C39—H39B	109.1
C19—C18—H18B	109.1	H39A—C39—H39B	107.8
C17—C18—H18B	109.1

Symmetry code: (i) −x+2, −y, −z.