#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:31:44 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178569 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/78/4067865.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4067865
loop_
_publ_author_name
'Buchner, Magnus R.'
'Bechlars, Bettina'
'Wahl, Bernhard'
'Ruhland, Klaus'
_publ_section_title
;
 Influence of Electronically and Sterically Tunable Cinnamate Ligands on
 the Spectroscopic, Kinetic, and Thermodynamic Properties of
 Bis(triphenylphosphine)palladium(0) Olefin Complexes
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              588
_journal_paper_doi               10.1021/om200849n
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C56 H53 N O5 P2 Pd'
_chemical_formula_weight         988.33
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                114.200(2)
_cell_angle_beta                 90.494(2)
_cell_angle_gamma                106.366(2)
_cell_formula_units_Z            2
_cell_length_a                   9.7516(2)
_cell_length_b                   15.3223(2)
_cell_length_c                   18.6487(4)
_cell_measurement_reflns_used    22758
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.6776
_cell_measurement_theta_min      2.7099
_cell_volume                     2413.93(10)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET)
(compiled Feb 27 2009,15:38:38)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET)
(compiled Feb 27 2009,15:38:38)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET)
(compiled Feb 27 2009,15:38:38)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16.0238
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type
'Goniometer KM4/Xcalibur, detector: Sapphire3'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0162
_diffrn_reflns_av_sigmaI/netI    0.0329
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            15830
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.72
_exptl_absorpt_coefficient_mu    0.500
_exptl_absorpt_correction_T_max  0.82
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.360
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.4
_refine_diff_density_max         0.477
_refine_diff_density_min         -0.413
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     587
_refine_ls_number_reflns         8953
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0284
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0450P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0720
_refine_ls_wR_factor_ref         0.0738
_reflns_number_gt                7426
_reflns_number_total             8953
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200849n_si_001.cif
_cod_data_source_block           dppbPdPhNO2-PhOMe
_cod_original_cell_volume        2413.93(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4067865
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pd2 Pd 0.015592(17) 0.296779(12) 0.234413(9) 0.02198(6) Uani 1 1 d .
P1 P -0.16491(6) 0.19418(4) 0.26984(3) 0.02332(12) Uani 1 1 d .
P2 P -0.10136(6) 0.37444(4) 0.18393(3) 0.02325(12) Uani 1 1 d .
O1 O 0.4283(2) 0.44490(14) 0.62667(10) 0.0540(5) Uani 1 1 d .
O2 O 0.4093(2) 0.28861(15) 0.58847(11) 0.0589(6) Uani 1 1 d .
O3 O 0.23274(17) 0.22069(12) 0.08935(9) 0.0333(4) Uani 1 1 d .
O4 O 0.30029(17) 0.38687(11) 0.11949(9) 0.0321(4) Uani 1 1 d .
O5 O 0.51025(18) 0.35477(13) -0.16137(9) 0.0394(4) Uani 1 1 d .
N1 N 0.3972(2) 0.35851(17) 0.57524(12) 0.0388(5) Uani 1 1 d .
C1 C 0.3453(2) 0.33742(17) 0.49441(13) 0.0297(5) Uani 1 1 d .
C2 C 0.3324(2) 0.41466(18) 0.47734(14) 0.0326(5) Uani 1 1 d .
H2A H 0.3535 0.4811 0.5182 0.039 Uiso 1 1 calc R
C3 C 0.2883(2) 0.39372(17) 0.40005(14) 0.0309(5) Uani 1 1 d .
H3 H 0.2808 0.4468 0.3879 0.037 Uiso 1 1 calc R
C4 C 0.2542(2) 0.29623(16) 0.33892(13) 0.0244(5) Uani 1 1 d .
C5 C 0.2667(2) 0.22031(17) 0.35947(13) 0.0285(5) Uani 1 1 d .
H5 H 0.2425 0.1531 0.3194 0.034 Uiso 1 1 calc R
C6 C 0.3129(2) 0.24039(18) 0.43601(14) 0.0327(5) Uani 1 1 d .
H6 H 0.3224 0.1880 0.4485 0.039 Uiso 1 1 calc R
C7 C 0.2111(2) 0.27024(17) 0.25542(13) 0.0262(5) Uani 1 1 d .
H7 H 0.2154 0.2024 0.2179 0.031 Uiso 1 1 calc R
C8 C 0.2382(2) 0.34114(17) 0.22232(13) 0.0250(5) Uani 1 1 d .
H8 H 0.2968 0.4119 0.2582 0.030 Uiso 1 1 calc R
C9 C 0.2542(2) 0.30603(17) 0.13835(13) 0.0262(5) Uani 1 1 d .
C10 C 0.3432(2) 0.37001(16) 0.04449(13) 0.0266(5) Uani 1 1 d .
C11 C 0.2797(2) 0.40077(17) -0.00284(14) 0.0318(5) Uani 1 1 d .
H11 H 0.2003 0.4253 0.0125 0.038 Uiso 1 1 calc R
C12 C 0.3310(2) 0.39626(17) -0.07291(14) 0.0325(5) Uani 1 1 d .
H12 H 0.2874 0.4181 -0.1055 0.039 Uiso 1 1 calc R
C13 C 0.4465(2) 0.35969(17) -0.09527(13) 0.0282(5) Uani 1 1 d .
C14 C 0.5068(2) 0.32621(17) -0.04815(13) 0.0290(5) Uani 1 1 d .
H14 H 0.5839 0.2992 -0.0641 0.035 Uiso 1 1 calc R
C15 C 0.4562(2) 0.33166(17) 0.02151(13) 0.0284(5) Uani 1 1 d .
H15 H 0.4988 0.3091 0.0539 0.034 Uiso 1 1 calc R
C16 C 0.4491(3) 0.3842(2) -0.21409(15) 0.0480(7) Uani 1 1 d .
H16A H 0.3479 0.3426 -0.2331 0.072 Uiso 1 1 calc R
H16B H 0.5028 0.3752 -0.2594 0.072 Uiso 1 1 calc R
H16C H 0.4544 0.4552 -0.1860 0.072 Uiso 1 1 calc R
C17 C -0.1458(2) 0.06988(16) 0.24350(13) 0.0260(5) Uani 1 1 d .
C18 C -0.1869(3) -0.00340(18) 0.16518(14) 0.0385(6) Uani 1 1 d .
H18 H -0.2237 0.0121 0.1261 0.046 Uiso 1 1 calc R
C19 C -0.1747(3) -0.09812(19) 0.14387(16) 0.0469(7) Uani 1 1 d .
H19 H -0.2041 -0.1476 0.0905 0.056 Uiso 1 1 calc R
C20 C -0.1199(3) -0.12086(19) 0.20002(17) 0.0426(6) Uani 1 1 d .
H20 H -0.1128 -0.1864 0.1855 0.051 Uiso 1 1 calc R
C21 C -0.0756(3) -0.04893(19) 0.27675(16) 0.0386(6) Uani 1 1 d .
H21 H -0.0358 -0.0642 0.3152 0.046 Uiso 1 1 calc R
C22 C -0.0889(2) 0.04657(17) 0.29863(14) 0.0314(5) Uani 1 1 d .
H22 H -0.0584 0.0960 0.3520 0.038 Uiso 1 1 calc R
C23 C -0.1838(2) 0.23985(16) 0.37516(13) 0.0265(5) Uani 1 1 d .
C24 C -0.2938(3) 0.18780(19) 0.40341(14) 0.0370(6) Uani 1 1 d .
H24 H -0.3596 0.1248 0.3678 0.044 Uiso 1 1 calc R
C25 C -0.3073(3) 0.2279(2) 0.48373(16) 0.0471(7) Uani 1 1 d .
H25 H -0.3839 0.1930 0.5026 0.057 Uiso 1 1 calc R
C26 C -0.2109(4) 0.3174(2) 0.53565(16) 0.0535(8) Uani 1 1 d .
H26 H -0.2202 0.3440 0.5905 0.064 Uiso 1 1 calc R
C27 C -0.1010(3) 0.3687(2) 0.50889(16) 0.0549(8) Uani 1 1 d .
H27 H -0.0340 0.4306 0.5452 0.066 Uiso 1 1 calc R
C28 C -0.0873(3) 0.33035(19) 0.42854(14) 0.0381(6) Uani 1 1 d .
H28 H -0.0112 0.3665 0.4102 0.046 Uiso 1 1 calc R
C29 C -0.3501(2) 0.15905(17) 0.22080(14) 0.0293(5) Uani 1 1 d .
H29A H -0.3464 0.1431 0.1639 0.035 Uiso 1 1 calc R
H29B H -0.4090 0.0968 0.2240 0.035 Uiso 1 1 calc R
C30 C -0.4269(2) 0.23860(18) 0.25485(14) 0.0336(5) Uani 1 1 d .
H30A H -0.5197 0.2147 0.2202 0.040 Uiso 1 1 calc R
H30B H -0.4498 0.2435 0.3077 0.040 Uiso 1 1 calc R
C31 C -0.3444(2) 0.34395(17) 0.26379(13) 0.0301(5) Uani 1 1 d .
H31A H -0.2579 0.3722 0.3041 0.036 Uiso 1 1 calc R
H31B H -0.4064 0.3877 0.2836 0.036 Uiso 1 1 calc R
C32 C -0.2966(2) 0.34633(16) 0.18626(13) 0.0257(5) Uani 1 1 d .
H32A H -0.3282 0.3977 0.1775 0.031 Uiso 1 1 calc R
H32B H -0.3464 0.2801 0.1417 0.031 Uiso 1 1 calc R
C33 C -0.0939(2) 0.34075(16) 0.07859(12) 0.0244(5) Uani 1 1 d .
C34 C -0.0768(2) 0.24823(17) 0.03157(13) 0.0287(5) Uani 1 1 d .
H34 H -0.0607 0.2073 0.0556 0.034 Uiso 1 1 calc R
C35 C -0.0828(2) 0.21474(18) -0.04988(13) 0.0335(5) Uani 1 1 d .
H35 H -0.0721 0.1508 -0.0814 0.040 Uiso 1 1 calc R
C36 C -0.1042(2) 0.27402(18) -0.08538(14) 0.0343(6) Uani 1 1 d .
H36 H -0.1085 0.2510 -0.1413 0.041 Uiso 1 1 calc R
C37 C -0.1195(2) 0.36693(18) -0.03920(13) 0.0322(5) Uani 1 1 d .
H37 H -0.1330 0.4083 -0.0633 0.039 Uiso 1 1 calc R
C38 C -0.1152(2) 0.39996(17) 0.04215(13) 0.0286(5) Uani 1 1 d .
H38 H -0.1269 0.4636 0.0734 0.034 Uiso 1 1 calc R
C39 C -0.0328(2) 0.51199(16) 0.22930(12) 0.0246(5) Uani 1 1 d .
C40 C 0.1070(2) 0.55871(17) 0.22099(13) 0.0300(5) Uani 1 1 d .
H40 H 0.1647 0.5188 0.1927 0.036 Uiso 1 1 calc R
C41 C 0.1624(3) 0.66215(18) 0.25332(14) 0.0383(6) Uani 1 1 d .
H41 H 0.2572 0.6933 0.2464 0.046 Uiso 1 1 calc R
C42 C 0.0799(3) 0.72058(18) 0.29584(15) 0.0430(6) Uani 1 1 d .
H42 H 0.1184 0.7920 0.3184 0.052 Uiso 1 1 calc R
C43 C -0.0572(3) 0.67572(18) 0.30548(15) 0.0417(6) Uani 1 1 d .
H43 H -0.1132 0.7162 0.3350 0.050 Uiso 1 1 calc R
C44 C -0.1147(3) 0.57155(17) 0.27240(13) 0.0341(5) Uani 1 1 d .
H44 H -0.2099 0.5409 0.2792 0.041 Uiso 1 1 calc R
C45 C 0.4989(3) 0.9061(2) 0.3568(3) 0.0690(10) Uani 1 1 d .
H45 H 0.5531 0.8890 0.3888 0.083 Uiso 1 1 calc R
C46 C 0.3974(3) 0.9508(2) 0.38707(18) 0.0555(8) Uani 1 1 d .
H46 H 0.3801 0.9645 0.4401 0.067 Uiso 1 1 calc R
C47 C 0.3209(3) 0.9757(2) 0.3420(2) 0.0548(8) Uani 1 1 d .
H47 H 0.2508 1.0076 0.3638 0.066 Uiso 1 1 calc R
C48 C 0.3428(4) 0.9558(2) 0.2664(2) 0.0699(10) Uani 1 1 d .
H48 H 0.2873 0.9730 0.2352 0.084 Uiso 1 1 calc R
C49 C 0.4426(5) 0.9118(3) 0.2348(2) 0.0838(13) Uani 1 1 d .
H49 H 0.4577 0.8986 0.1816 0.101 Uiso 1 1 calc R
C50 C 0.5237(4) 0.8855(2) 0.2792(3) 0.0833(13) Uani 1 1 d .
H50 H 0.5943 0.8543 0.2572 0.100 Uiso 1 1 calc R
C51 C 0.5683(3) 0.92788(19) -0.01559(15) 0.0428(6) Uani 1 1 d .
H51 H 0.6151 0.8780 -0.0266 0.051 Uiso 1 1 calc R
C52 C 0.4427(3) 0.9197(2) 0.01795(16) 0.0438(6) Uani 1 1 d .
H52 H 0.4031 0.8645 0.0307 0.053 Uiso 1 1 calc R
C53 C 0.3745(3) 0.9917(2) 0.03298(15) 0.0452(7) Uani 1 1 d .
H53 H 0.2873 0.9856 0.0555 0.054 Uiso 1 1 calc R
C54 C 0.1297(3) 0.0734(2) 0.53209(17) 0.0537(8) Uani 1 1 d .
H54 H 0.2202 0.1245 0.5544 0.064 Uiso 1 1 calc R
C55 C 0.0156(3) 0.0959(2) 0.50981(15) 0.0484(7) Uani 1 1 d .
H55 H 0.0266 0.1626 0.5167 0.058 Uiso 1 1 calc R
C56 C -0.1143(3) 0.0228(2) 0.47760(17) 0.0504(7) Uani 1 1 d .
H56 H -0.1939 0.0384 0.4619 0.060 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C7 Pd2 C8 39.08(8) . .
C7 Pd2 P2 147.84(6) . .
C8 Pd2 P2 108.83(6) . .
C7 Pd2 P1 107.32(6) . .
C8 Pd2 P1 146.35(6) . .
P2 Pd2 P1 104.63(2) . .
C23 P1 C17 103.84(10) . .
C23 P1 C29 103.49(10) . .
C17 P1 C29 100.79(10) . .
C23 P1 Pd2 116.75(7) . .
C17 P1 Pd2 113.36(7) . .
C29 P1 Pd2 116.60(7) . .
C33 P2 C39 103.20(10) . .
C33 P2 C32 101.02(9) . .
C39 P2 C32 103.91(10) . .
C33 P2 Pd2 114.00(7) . .
C39 P2 Pd2 115.67(7) . .
C32 P2 Pd2 117.06(7) . .
C9 O4 C10 118.52(16) . .
C13 O5 C16 117.86(19) . .
O1 N1 O2 122.8(2) . .
O1 N1 C1 118.8(2) . .
O2 N1 C1 118.5(2) . .
C6 C1 C2 121.3(2) . .
C6 C1 N1 118.8(2) . .
C2 C1 N1 119.9(2) . .
C3 C2 C1 118.9(2) . .
C3 C2 H2A 120.6 . .
C1 C2 H2A 120.6 . .
C2 C3 C4 121.7(2) . .
C2 C3 H3 119.1 . .
C4 C3 H3 119.1 . .
C5 C4 C3 117.2(2) . .
C5 C4 C7 118.7(2) . .
C3 C4 C7 124.03(19) . .
C6 C5 C4 121.7(2) . .
C6 C5 H5 119.1 . .
C4 C5 H5 119.1 . .
C5 C6 C1 119.2(2) . .
C5 C6 H6 120.4 . .
C1 C6 H6 120.4 . .
C8 C7 C4 124.2(2) . .
C8 C7 Pd2 70.64(11) . .
C4 C7 Pd2 113.73(14) . .
C8 C7 H7 113.7 . .
C4 C7 H7 113.7 . .
Pd2 C7 H7 113.7 . .
C7 C8 C9 118.25(19) . .
C7 C8 Pd2 70.29(11) . .
C9 C8 Pd2 109.61(14) . .
C7 C8 H8 116.6 . .
C9 C8 H8 116.6 . .
Pd2 C8 H8 116.6 . .
O3 C9 O4 121.8(2) . .
O3 C9 C8 128.1(2) . .
O4 C9 C8 110.11(19) . .
C11 C10 C15 120.2(2) . .
C11 C10 O4 118.75(19) . .
C15 C10 O4 120.80(19) . .
C10 C11 C12 120.3(2) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C11 C12 C13 119.6(2) . .
C11 C12 H12 120.2 . .
C13 C12 H12 120.2 . .
O5 C13 C14 115.24(19) . .
O5 C13 C12 125.21(19) . .
C14 C13 C12 119.5(2) . .
C15 C14 C13 120.5(2) . .
C15 C14 H14 119.7 . .
C13 C14 H14 119.7 . .
C14 C15 C10 119.8(2) . .
C14 C15 H15 120.1 . .
C10 C15 H15 120.1 . .
O5 C16 H16A 109.5 . .
O5 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
O5 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C22 C17 C18 118.5(2) . .
C22 C17 P1 121.82(17) . .
C18 C17 P1 119.62(17) . .
C19 C18 C17 120.8(2) . .
C19 C18 H18 119.6 . .
C17 C18 H18 119.6 . .
C20 C19 C18 120.0(2) . .
C20 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
C21 C20 C19 119.9(2) . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C20 C21 C22 120.2(2) . .
C20 C21 H21 119.9 . .
C22 C21 H21 119.9 . .
C17 C22 C21 120.5(2) . .
C17 C22 H22 119.7 . .
C21 C22 H22 119.7 . .
C28 C23 C24 118.9(2) . .
C28 C23 P1 118.90(17) . .
C24 C23 P1 122.23(18) . .
C25 C24 C23 120.0(2) . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C26 C25 C24 120.3(3) . .
C26 C25 H25 119.9 . .
C24 C25 H25 119.9 . .
C27 C26 C25 120.3(2) . .
C27 C26 H26 119.9 . .
C25 C26 H26 119.9 . .
C26 C27 C28 120.1(3) . .
C26 C27 H27 119.9 . .
C28 C27 H27 119.9 . .
C23 C28 C27 120.4(2) . .
C23 C28 H28 119.8 . .
C27 C28 H28 119.8 . .
C30 C29 P1 115.68(16) . .
C30 C29 H29A 108.4 . .
P1 C29 H29A 108.4 . .
C30 C29 H29B 108.4 . .
P1 C29 H29B 108.4 . .
H29A C29 H29B 107.4 . .
C31 C30 C29 116.19(18) . .
C31 C30 H30A 108.2 . .
C29 C30 H30A 108.2 . .
C31 C30 H30B 108.2 . .
C29 C30 H30B 108.2 . .
H30A C30 H30B 107.4 . .
C30 C31 C32 113.58(19) . .
C30 C31 H31A 108.9 . .
C32 C31 H31A 108.9 . .
C30 C31 H31B 108.9 . .
C32 C31 H31B 108.9 . .
H31A C31 H31B 107.7 . .
C31 C32 P2 114.53(14) . .
C31 C32 H32A 108.6 . .
P2 C32 H32A 108.6 . .
C31 C32 H32B 108.6 . .
P2 C32 H32B 108.6 . .
H32A C32 H32B 107.6 . .
C34 C33 C38 118.5(2) . .
C34 C33 P2 118.24(16) . .
C38 C33 P2 123.12(16) . .
C35 C34 C33 120.9(2) . .
C35 C34 H34 119.6 . .
C33 C34 H34 119.6 . .
C36 C35 C34 120.2(2) . .
C36 C35 H35 119.9 . .
C34 C35 H35 119.9 . .
C35 C36 C37 119.6(2) . .
C35 C36 H36 120.2 . .
C37 C36 H36 120.2 . .
C36 C37 C38 120.2(2) . .
C36 C37 H37 119.9 . .
C38 C37 H37 119.9 . .
C37 C38 C33 120.6(2) . .
C37 C38 H38 119.7 . .
C33 C38 H38 119.7 . .
C44 C39 C40 118.9(2) . .
C44 C39 P2 122.39(17) . .
C40 C39 P2 118.66(16) . .
C41 C40 C39 120.7(2) . .
C41 C40 H40 119.7 . .
C39 C40 H40 119.7 . .
C40 C41 C42 119.9(2) . .
C40 C41 H41 120.1 . .
C42 C41 H41 120.1 . .
C43 C42 C41 120.1(2) . .
C43 C42 H42 119.9 . .
C41 C42 H42 119.9 . .
C42 C43 C44 120.4(2) . .
C42 C43 H43 119.8 . .
C44 C43 H43 119.8 . .
C43 C44 C39 119.9(2) . .
C43 C44 H44 120.0 . .
C39 C44 H44 120.0 . .
C46 C45 C50 119.9(3) . .
C46 C45 H45 120.0 . .
C50 C45 H45 120.0 . .
C47 C46 C45 120.2(3) . .
C47 C46 H46 119.9 . .
C45 C46 H46 119.9 . .
C48 C47 C46 120.8(3) . .
C48 C47 H47 119.6 . .
C46 C47 H47 119.6 . .
C49 C48 C47 120.5(3) . .
C49 C48 H48 119.8 . .
C47 C48 H48 119.8 . .
C48 C49 C50 120.5(3) . .
C48 C49 H49 119.8 . .
C50 C49 H49 119.8 . .
C49 C50 C45 118.2(3) . .
C49 C50 H50 120.9 . .
C45 C50 H50 120.9 . .
C53 C51 C52 119.7(2) 2_675 .
C53 C51 H51 120.2 2_675 .
C52 C51 H51 120.2 . .
C51 C52 C53 119.9(3) . .
C51 C52 H52 120.1 . .
C53 C52 H52 120.1 . .
C51 C53 C52 120.4(3) 2_675 .
C51 C53 H53 119.8 2_675 .
C52 C53 H53 119.8 . .
C55 C54 C56 120.2(3) . 2_556
C55 C54 H54 119.9 . .
C56 C54 H54 119.9 2_556 .
C54 C55 C56 120.1(3) . .
C54 C55 H55 120.0 . .
C56 C55 H55 120.0 . .
C55 C56 C54 119.7(3) . 2_556
C55 C56 H56 120.1 . .
C54 C56 H56 120.1 2_556 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd2 C7 2.124(2) .
Pd2 C8 2.128(2) .
Pd2 P2 2.2952(5) .
Pd2 P1 2.3062(6) .
P1 C23 1.826(2) .
P1 C17 1.827(2) .
P1 C29 1.846(2) .
P2 C33 1.823(2) .
P2 C39 1.827(2) .
P2 C32 1.835(2) .
O1 N1 1.221(3) .
O2 N1 1.229(3) .
O3 C9 1.205(3) .
O4 C9 1.381(3) .
O4 C10 1.404(2) .
O5 C13 1.369(3) .
O5 C16 1.426(3) .
N1 C1 1.459(3) .
C1 C6 1.378(3) .
C1 C2 1.382(3) .
C2 C3 1.378(3) .
C2 H2A 0.9500 .
C3 C4 1.400(3) .
C3 H3 0.9500 .
C4 C5 1.400(3) .
C4 C7 1.465(3) .
C5 C6 1.373(3) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.422(3) .
C7 H7 1.0000 .
C8 C9 1.458(3) .
C8 H8 1.0000 .
C10 C11 1.371(3) .
C10 C15 1.383(3) .
C11 C12 1.385(3) .
C11 H11 0.9500 .
C12 C13 1.389(3) .
C12 H12 0.9500 .
C13 C14 1.383(3) .
C14 C15 1.372(3) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C22 1.377(3) .
C17 C18 1.395(3) .
C18 C19 1.380(3) .
C18 H18 0.9500 .
C19 C20 1.378(4) .
C19 H19 0.9500 .
C20 C21 1.370(4) .
C20 H20 0.9500 .
C21 C22 1.394(3) .
C21 H21 0.9500 .
C22 H22 0.9500 .
C23 C28 1.385(3) .
C23 C24 1.391(3) .
C24 C25 1.390(3) .
C24 H24 0.9500 .
C25 C26 1.368(4) .
C25 H25 0.9500 .
C26 C27 1.368(4) .
C26 H26 0.9500 .
C27 C28 1.391(3) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 C30 1.528(3) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.525(3) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.534(3) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.387(3) .
C33 C38 1.392(3) .
C34 C35 1.384(3) .
C34 H34 0.9500 .
C35 C36 1.380(3) .
C35 H35 0.9500 .
C36 C37 1.381(3) .
C36 H36 0.9500 .
C37 C38 1.385(3) .
C37 H37 0.9500 .
C38 H38 0.9500 .
C39 C44 1.392(3) .
C39 C40 1.393(3) .
C40 C41 1.377(3) .
C40 H40 0.9500 .
C41 C42 1.383(4) .
C41 H41 0.9500 .
C42 C43 1.371(4) .
C42 H42 0.9500 .
C43 C44 1.387(3) .
C43 H43 0.9500 .
C44 H44 0.9500 .
C45 C46 1.357(5) .
C45 C50 1.388(6) .
C45 H45 0.9500 .
C46 C47 1.349(4) .
C46 H46 0.9500 .
C47 C48 1.348(5) .
C47 H47 0.9500 .
C48 C49 1.343(5) .
C48 H48 0.9500 .
C49 C50 1.383(6) .
C49 H49 0.9500 .
C50 H50 0.9500 .
C51 C53 1.370(4) 2_675
C51 C52 1.378(4) .
C51 H51 0.9500 .
C52 C53 1.380(4) .
C52 H52 0.9500 .
C53 C51 1.370(4) 2_675
C53 H53 0.9500 .
C54 C55 1.361(4) .
C54 C56 1.374(4) 2_556
C54 H54 0.9500 .
C55 C56 1.362(4) .
C55 H55 0.9500 .
C56 C54 1.374(4) 2_556
C56 H56 0.9500 .
