#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:54:25 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180160 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/56/7105676.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_7105676
loop_
_publ_author_name
'Crisobal Melero'
'Luis Martinez-Prieto'
'Pilar Palma'
'Diego del Rio'
'Eleuterio Alvarez'
'Juan Campora'
_publ_section_title
;
 Selective Reduction of a Pd Pincer PCP Complex to Well-Defined Pd(0)
 Species
;
_journal_name_full               Chem.Commun.
_journal_page_first              8851
_journal_paper_doi               10.1039/c0cc02972f
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C21 H38 O P2 Pd'
_chemical_formula_sum            'C21 H38 O P2 Pd'
_chemical_formula_weight         474.85
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.271(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.3085(8)
_cell_length_b                   14.3116(10)
_cell_length_c                   28.797(2)
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.54
_cell_measurement_theta_min      2.93
_cell_volume                     4612.1(6)
_computing_cell_refinement       'Bruker (2006). APEX 2. Version 2.1.'
_computing_data_collection       'Bruker (2006). APEX 2. Version 2.1.'
_computing_data_reduction        'Bruker (2006). APEX 2. Version 2.1.'
_computing_molecular_graphics    'XP, SHELXTL v. 6.14 (Bruker, 2003)'
_computing_publication_material  'XCIF, SHELXTL v. 6.14 (Bruker, 2003)'
_computing_structure_refinement  'XL, SHELXTL v. 6.14 (Bruker, 2003)'
_computing_structure_solution    'Bruker (2006). APEX 2. Version 2.1.'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type
;
Bruker-Nonius X8kappa APEX II CCD area detector'
;
_diffrn_measurement_method       'phi and omega scans with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_sigmaI/netI    0.0393
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            60067
_diffrn_reflns_theta_full        30.65
_diffrn_reflns_theta_max         30.65
_diffrn_reflns_theta_min         1.86
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.950
_exptl_absorpt_correction_T_max  0.7283
_exptl_absorpt_correction_T_min  0.6304
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS, Bruker (2006). APEX 2. Version 2.1. Bruker Analytical
X-ray Solutions, Madison, Wisconsin, USA.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1984
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.34
_refine_diff_density_max         1.405
_refine_diff_density_min         -1.573
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.187
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         13900
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.171
_refine_ls_R_factor_all          0.1086
_refine_ls_R_factor_gt           0.0745
_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)+(0.0265P)²+7.0401P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1548
_refine_ls_wR_factor_ref         0.1741
_reflns_number_gt                8353
_reflns_number_total             13900
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC02972F.TXT
_cod_data_source_block           (iPrPCP)PdOMe
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7105676
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.74249(4) 0.10331(3) 0.132445(19) 0.04195(14) Uani 1 1 d U . .
P1 P 0.91836(13) 0.04919(12) 0.11255(6) 0.0380(4) Uani 1 1 d U A .
P2 P 0.57268(13) 0.18295(12) 0.13930(5) 0.0367(3) Uani 1 1 d U A .
O1A O 0.6973(10) 0.0074(7) 0.1816(4) 0.097(4) Uani 0.70 1 d PDU A 1
C21A C 0.7332(13) -0.0786(8) 0.1859(4) 0.067(3) Uani 0.70 1 d PDU A 1
H21A H 0.7450 -0.1028 0.1550 0.100 Uiso 0.70 1 d PR A 1
H21B H 0.6731 -0.1165 0.1985 0.100 Uiso 0.70 1 d PR A 1
H21C H 0.8089 -0.0815 0.2072 0.100 Uiso 0.70 1 d PR A 1
O1B O 0.7125(17) -0.0323(11) 0.1533(6) 0.051(4) Uani 0.30 1 d PDU A 2
C21B C 0.676(2) -0.038(2) 0.1936(8) 0.060(7) Uani 0.30 1 d PDU A 2
H21D H 0.7176 0.0087 0.2151 0.089 Uiso 0.30 1 d PR A 2
H21E H 0.6932 -0.1005 0.2065 0.089 Uiso 0.30 1 d PR A 2
H21F H 0.5899 -0.0263 0.1899 0.089 Uiso 0.30 1 d PR A 2
C1 C 0.7752(5) 0.2128(4) 0.09188(19) 0.0331(11) Uani 1 1 d U A .
C2 C 0.8671(5) 0.2102(4) 0.06391(19) 0.0333(11) Uani 1 1 d U . .
C3 C 0.8841(5) 0.2850(4) 0.03373(19) 0.0371(12) Uani 1 1 d U A .
H3 H 0.9467 0.2819 0.0150 0.044 Uiso 1 1 d R . .
C4 C 0.8112(5) 0.3622(4) 0.0310(2) 0.0434(14) Uani 1 1 d U . .
H4 H 0.8229 0.4121 0.0104 0.052 Uiso 1 1 d R A .
C5 C 0.7203(5) 0.3667(4) 0.0585(2) 0.0409(13) Uani 1 1 d U A .
H5 H 0.6699 0.4201 0.0567 0.049 Uiso 1 1 d R . .
C6 C 0.7017(5) 0.2932(4) 0.0892(2) 0.0358(12) Uani 1 1 d U . .
C7 C 0.9472(6) 0.1257(5) 0.0647(2) 0.0461(15) Uani 1 1 d U A .
H7A H 1.0319 0.1454 0.0695 0.055 Uiso 1 1 d R . .
H7B H 0.9309 0.0920 0.0344 0.055 Uiso 1 1 d R . .
C8 C 0.6049(5) 0.3007(5) 0.1197(2) 0.0444(14) Uani 1 1 d U A .
H8A H 0.5321 0.3284 0.1018 0.053 Uiso 1 1 d R . .
H8B H 0.6315 0.3411 0.1471 0.053 Uiso 1 1 d R . .
C9 C 1.0504(6) 0.0619(6) 0.1576(3) 0.0589(19) Uani 1 1 d U . .
H9 H 1.1230 0.0408 0.1444 0.071 Uiso 1 1 d R A .
C10 C 1.0340(8) 0.0009(8) 0.1999(3) 0.087(3) Uani 1 1 d U A .
H10A H 1.1035 0.0079 0.2243 0.131 Uiso 1 1 d R . .
H10B H 1.0262 -0.0647 0.1902 0.131 Uiso 1 1 d R . .
H10C H 0.9617 0.0204 0.2125 0.131 Uiso 1 1 d R . .
C11 C 1.0656(8) 0.1624(7) 0.1725(4) 0.089(3) Uani 1 1 d U A .
H11A H 0.9893 0.1868 0.1797 0.133 Uiso 1 1 d R . .
H11B H 1.0910 0.1990 0.1469 0.133 Uiso 1 1 d R . .
H11C H 1.1261 0.1671 0.2004 0.133 Uiso 1 1 d R . .
C12 C 0.9227(6) -0.0707(5) 0.0897(3) 0.0507(16) Uani 1 1 d U . .
H12 H 0.9097 -0.1142 0.1157 0.061 Uiso 1 1 d R A .
C13 C 0.8194(7) -0.0835(7) 0.0506(3) 0.077(3) Uani 1 1 d U A .
H13A H 0.8289 -0.0413 0.0246 0.115 Uiso 1 1 d R . .
H13B H 0.7444 -0.0693 0.0624 0.115 Uiso 1 1 d R . .
H13C H 0.8179 -0.1483 0.0395 0.115 Uiso 1 1 d R . .
C14 C 1.0416(7) -0.0967(6) 0.0741(3) 0.069(2) Uani 1 1 d U A .
H14A H 1.0343 -0.1577 0.0585 0.103 Uiso 1 1 d R . .
H14B H 1.1036 -0.0998 0.1016 0.103 Uiso 1 1 d R . .
H14C H 1.0633 -0.0494 0.0522 0.103 Uiso 1 1 d R . .
C15 C 0.5211(6) 0.1970(6) 0.1969(2) 0.0521(17) Uani 1 1 d U . .
H15 H 0.4961 0.1340 0.2068 0.063 Uiso 1 1 d R A .
C16 C 0.6244(8) 0.2293(8) 0.2333(3) 0.085(3) Uani 1 1 d U A .
H16A H 0.6516 0.2910 0.2245 0.128 Uiso 1 1 d R . .
H16B H 0.6903 0.1845 0.2346 0.128 Uiso 1 1 d R . .
H16C H 0.5976 0.2331 0.2641 0.128 Uiso 1 1 d R . .
C17 C 0.4135(8) 0.2622(8) 0.1955(4) 0.096(4) Uani 1 1 d U A .
H17A H 0.3907 0.2669 0.2270 0.144 Uiso 1 1 d R . .
H17B H 0.3465 0.2368 0.1738 0.144 Uiso 1 1 d R . .
H17C H 0.4341 0.3244 0.1849 0.144 Uiso 1 1 d R . .
C18 C 0.4433(5) 0.1439(5) 0.0988(2) 0.0435(14) Uani 1 1 d U . .
H18 H 0.3803 0.1932 0.0973 0.052 Uiso 1 1 d R A .
C19 C 0.3927(7) 0.0529(6) 0.1170(3) 0.064(2) Uani 1 1 d U A .
H19A H 0.3264 0.0304 0.0941 0.096 Uiso 1 1 d R . .
H19B H 0.3638 0.0652 0.1470 0.096 Uiso 1 1 d R . .
H19C H 0.4556 0.0053 0.1217 0.096 Uiso 1 1 d R . .
C20 C 0.4738(7) 0.1297(6) 0.0501(2) 0.061(2) Uani 1 1 d U A .
H20A H 0.5304 0.0778 0.0502 0.091 Uiso 1 1 d R . .
H20B H 0.5101 0.1868 0.0397 0.091 Uiso 1 1 d R . .
H20C H 0.4009 0.1153 0.0285 0.091 Uiso 1 1 d R . .
Pd2 Pd 0.24241(4) 0.60633(3) 0.139174(17) 0.03689(13) Uani 1 1 d U . .
P3 P 0.41961(12) 0.66016(11) 0.11981(6) 0.0340(3) Uani 1 1 d U B .
P4 P 0.07127(12) 0.52732(11) 0.14510(5) 0.0327(3) Uani 1 1 d U B .
O2A O 0.2094(13) 0.6899(8) 0.1926(4) 0.049(3) Uani 0.50 1 d PDU B 1
C42A C 0.199(2) 0.7754(13) 0.1857(10) 0.093(9) Uani 0.50 1 d PDU B 1
H42A H 0.2720 0.7989 0.1752 0.139 Uiso 0.50 1 d PR B 1
H42B H 0.1872 0.8068 0.2150 0.139 Uiso 0.50 1 d PR B 1
H42C H 0.1304 0.7881 0.1616 0.139 Uiso 0.50 1 d PR B 1
O2B O 0.1868(15) 0.7224(10) 0.1767(7) 0.082(5) Uani 0.50 1 d PDU B 2
C42B C 0.2503(16) 0.7909(13) 0.1940(6) 0.052(4) Uani 0.50 1 d PDU B 2
H42D H 0.3316 0.7689 0.2049 0.079 Uiso 0.50 1 d PR B 2
H42E H 0.2158 0.8171 0.2205 0.079 Uiso 0.50 1 d PR B 2
H42F H 0.2528 0.8393 0.1700 0.079 Uiso 0.50 1 d PR B 2
C22 C 0.2716(5) 0.4987(4) 0.09644(19) 0.0311(11) Uani 1 1 d U B .
C23 C 0.3638(5) 0.5029(4) 0.06787(18) 0.0312(11) Uani 1 1 d U . .
C24 C 0.3780(5) 0.4311(4) 0.0369(2) 0.0382(13) Uani 1 1 d U B .
H24 H 0.4391 0.4352 0.0175 0.046 Uiso 1 1 d R . .
C25 C 0.3049(6) 0.3536(4) 0.0337(2) 0.0430(14) Uani 1 1 d U . .
H25 H 0.3155 0.3046 0.0124 0.052 Uiso 1 1 d R B .
C26 C 0.2158(5) 0.3478(4) 0.0618(2) 0.0423(13) Uani 1 1 d U B .
H26 H 0.1653 0.2945 0.0598 0.051 Uiso 1 1 d R . .
C27 C 0.1991(5) 0.4191(4) 0.0933(2) 0.0329(11) Uani 1 1 d U . .
C28 C 0.4423(5) 0.5871(4) 0.0696(2) 0.0399(13) Uani 1 1 d U B .
H28A H 0.4230 0.6233 0.0402 0.048 Uiso 1 1 d R . .
H28B H 0.5271 0.5676 0.0725 0.048 Uiso 1 1 d R . .
C29 C 0.1027(5) 0.4102(4) 0.1243(2) 0.0393(12) Uani 1 1 d U B .
H29A H 0.1302 0.3689 0.1513 0.047 Uiso 1 1 d R . .
H29B H 0.0296 0.3829 0.1064 0.047 Uiso 1 1 d R . .
C30 C 0.4347(6) 0.7796(5) 0.0996(2) 0.0458(14) Uani 1 1 d U . .
H30 H 0.4300 0.8217 0.1270 0.055 Uiso 1 1 d R B .
C31 C 0.3293(6) 0.8041(5) 0.0622(3) 0.0586(19) Uani 1 1 d U B .
H31A H 0.3343 0.8700 0.0535 0.088 Uiso 1 1 d R . .
H31B H 0.2544 0.7930 0.0747 0.088 Uiso 1 1 d R . .
H31C H 0.3317 0.7648 0.0345 0.088 Uiso 1 1 d R . .
C32 C 0.5531(6) 0.8002(6) 0.0820(3) 0.061(2) Uani 1 1 d U B .
H32A H 0.5620 0.7588 0.0556 0.092 Uiso 1 1 d R . .
H32B H 0.6192 0.7895 0.1074 0.092 Uiso 1 1 d R . .
H32C H 0.5543 0.8654 0.0717 0.092 Uiso 1 1 d R . .
C33 C 0.5504(6) 0.6410(6) 0.1645(3) 0.0570(18) Uani 1 1 d U . .
H33 H 0.6241 0.6602 0.1514 0.068 Uiso 1 1 d R B .
C34 C 0.5395(8) 0.6995(7) 0.2078(3) 0.081(3) Uani 1 1 d U B .
H34A H 0.4668 0.6815 0.2204 0.122 Uiso 1 1 d R . .
H34B H 0.5354 0.7659 0.1994 0.122 Uiso 1 1 d R . .
H34C H 0.6093 0.6885 0.2316 0.122 Uiso 1 1 d R . .
C35 C 0.5584(8) 0.5368(7) 0.1768(3) 0.082(3) Uani 1 1 d U B .
H35A H 0.6264 0.5263 0.2014 0.123 Uiso 1 1 d R . .
H35B H 0.5695 0.5006 0.1489 0.123 Uiso 1 1 d R . .
H35C H 0.4846 0.5170 0.1881 0.123 Uiso 1 1 d R . .
C36 C -0.0595(5) 0.5695(4) 0.1057(2) 0.0377(13) Uani 1 1 d U . .
H36 H -0.1244 0.5217 0.1044 0.045 Uiso 1 1 d R B .
C37 C -0.0260(6) 0.5811(6) 0.0566(2) 0.0513(17) Uani 1 1 d U B .
H37A H -0.0962 0.6022 0.0352 0.077 Uiso 1 1 d R . .
H37B H 0.0017 0.5212 0.0457 0.077 Uiso 1 1 d R . .
H37C H 0.0378 0.6276 0.0574 0.077 Uiso 1 1 d R . .
C38 C -0.1045(7) 0.6601(6) 0.1235(3) 0.0598(19) Uani 1 1 d U B .
H38A H -0.0381 0.7044 0.1300 0.090 Uiso 1 1 d R . .
H38B H -0.1385 0.6483 0.1524 0.090 Uiso 1 1 d R . .
H38C H -0.1662 0.6864 0.0997 0.090 Uiso 1 1 d R . .
C39 C 0.0199(6) 0.5116(6) 0.2019(2) 0.0528(17) Uani 1 1 d U . .
H39 H -0.0094 0.5737 0.2113 0.063 Uiso 1 1 d R B .
C40 C 0.1241(8) 0.4843(8) 0.2388(3) 0.083(3) Uani 1 1 d U B .
H40A H 0.0972 0.4818 0.2696 0.124 Uiso 1 1 d R . .
H40B H 0.1882 0.5306 0.2394 0.124 Uiso 1 1 d R . .
H40C H 0.1541 0.4228 0.2311 0.124 Uiso 1 1 d R . .
C41 C -0.0850(8) 0.4435(9) 0.2004(4) 0.101(4) Uani 1 1 d U B .
H41A H -0.0593 0.3814 0.1915 0.151 Uiso 1 1 d R . .
H41B H -0.1518 0.4648 0.1773 0.151 Uiso 1 1 d R . .
H41C H -0.1107 0.4403 0.2315 0.151 Uiso 1 1 d 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'
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
_geom_angle_publ_flag
C1 Pd1 O1B 160.8(5) . . ?
C1 Pd1 O1A 170.1(3) . . ?
O1B Pd1 O1A 28.6(5) . . ?
C1 Pd1 P2 83.58(17) . . ?
O1B Pd1 P2 105.6(6) . . ?
O1A Pd1 P2 88.8(2) . . ?
C1 Pd1 P1 83.08(17) . . ?
O1B Pd1 P1 86.6(6) . . ?
O1A Pd1 P1 104.7(2) . . ?
P2 Pd1 P1 166.49(6) . . ?
C7 P1 C9 105.0(4) . . ?
C7 P1 C12 105.8(3) . . ?
C9 P1 C12 106.5(4) . . ?
C7 P1 Pd1 104.0(2) . . ?
C9 P1 Pd1 115.9(3) . . ?
C12 P1 Pd1 118.4(2) . . ?
C18 P2 C8 105.2(3) . . ?
C18 P2 C15 106.3(3) . . ?
C8 P2 C15 106.2(3) . . ?
C18 P2 Pd1 113.7(2) . . ?
C8 P2 Pd1 103.2(2) . . ?
C15 P2 Pd1 120.9(2) . . ?
C21A O1A Pd1 125.8(9) . . ?
C21A O1A H21D 84.1 . . ?
Pd1 O1A H21D 128.5 . . ?
C21A O1A H21F 85.5 . . ?
Pd1 O1A H21F 131.7 . . ?
H21D O1A H21F 85.4 . . ?
O1A C21A H21A 109.3 . . ?
O1A C21A H21B 109.6 . . ?
H21A C21A H21B 109.5 . . ?
O1A C21A H21C 109.5 . . ?
H21A C21A H21C 109.5 . . ?
H21B C21A H21C 109.5 . . ?
H21A C21A H21D 145.9 . . ?
H21B C21A H21D 96.1 . . ?
H21C C21A H21D 81.3 . . ?
O1A C21A H21E 102.9 . . ?
H21A C21A H21E 130.9 . . ?
H21C C21A H21E 92.8 . . ?
H21D C21A H21E 78.6 . . ?
C21B O1B Pd1 113.9(18) . . ?
C21B O1B H21A 93.0 . . ?
Pd1 O1B H21A 145.5 . . ?
O1B C21B H21B 101.0 . . ?
O1B C21B H21D 110.0 . . ?
H21B C21B H21D 128.0 . . ?
O1B C21B H21E 109.0 . . ?
H21D C21B H21E 109.5 . . ?
O1B C21B H21F 109.4 . . ?
H21B C21B H21F 97.6 . . ?
H21D C21B H21F 109.5 . . ?
H21E C21B H21F 109.5 . . ?
C2 C1 C6 117.9(5) . . ?
C2 C1 Pd1 121.6(4) . . ?
C6 C1 Pd1 120.5(4) . . ?
C1 C2 C3 120.8(5) . . ?
C1 C2 C7 120.3(5) . . ?
C3 C2 C7 118.9(5) . . ?
C4 C3 C2 120.8(6) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C5 119.5(6) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.3 . . ?
C4 C5 C6 120.9(6) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 120.1(6) . . ?
C5 C6 C8 120.0(5) . . ?
C1 C6 C8 119.9(5) . . ?
C2 C7 P1 108.7(4) . . ?
C2 C7 H7A 109.9 . . ?
P1 C7 H7A 109.9 . . ?
C2 C7 H7B 110.0 . . ?
P1 C7 H7B 110.0 . . ?
H7A C7 H7B 108.3 . . ?
C6 C8 P2 108.0(4) . . ?
C6 C8 H8A 110.1 . . ?
P2 C8 H8A 110.1 . . ?
C6 C8 H8B 110.1 . . ?
P2 C8 H8B 110.1 . . ?
H8A C8 H8B 108.4 . . ?
C11 C9 C10 109.9(8) . . ?
C11 C9 P1 110.0(6) . . ?
C10 C9 P1 109.1(6) . . ?
C11 C9 H9 109.3 . . ?
C10 C9 H9 109.3 . . ?
P1 C9 H9 109.3 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.4 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.3 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.6 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C14 111.8(7) . . ?
C13 C12 P1 108.8(5) . . ?
C14 C12 P1 113.8(5) . . ?
C13 C12 H12 107.5 . . ?
C14 C12 H12 107.4 . . ?
P1 C12 H12 107.3 . . ?
C12 C13 H13A 109.7 . . ?
C12 C13 H13B 109.3 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.4 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.4 . . ?
C12 C14 H14B 109.4 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C17 111.2(8) . . ?
C16 C15 P2 109.9(5) . . ?
C17 C15 P2 113.4(6) . . ?
C16 C15 H15 107.3 . . ?
C17 C15 H15 107.5 . . ?
P2 C15 H15 107.3 . . ?
C15 C16 H16A 109.6 . . ?
C15 C16 H16B 109.4 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.4 . . ?
C15 C17 H17B 109.3 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.8 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C20 C18 C19 110.4(6) . . ?
C20 C18 P2 111.5(5) . . ?
C19 C18 P2 110.1(5) . . ?
C20 C18 H18 108.2 . . ?
C19 C18 H18 108.2 . . ?
P2 C18 H18 108.2 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.4 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O2A Pd2 C22 166.7(4) . . ?
O2A Pd2 O2B 18.6(6) . . ?
C22 Pd2 O2B 171.1(5) . . ?
O2A Pd2 P4 89.1(4) . . ?
C22 Pd2 P4 83.22(16) . . ?
O2B Pd2 P4 91.9(5) . . ?
O2A Pd2 P3 104.5(4) . . ?
C22 Pd2 P3 83.31(16) . . ?
O2B Pd2 P3 101.2(5) . . ?
P4 Pd2 P3 166.40(6) . . ?
C30 P3 C28 104.6(3) . . ?
C30 P3 C33 105.2(3) . . ?
C28 P3 C33 106.1(3) . . ?
C30 P3 Pd2 121.3(2) . . ?
C28 P3 Pd2 103.1(2) . . ?
C33 P3 Pd2 115.1(3) . . ?
C39 P4 C29 106.3(3) . . ?
C39 P4 C36 105.3(3) . . ?
C29 P4 C36 106.1(3) . . ?
C39 P4 Pd2 120.9(2) . . ?
C29 P4 Pd2 102.9(2) . . ?
C36 P4 Pd2 114.2(2) . . ?
C42A O2A Pd2 119.0(17) . . ?
O2A C42A H42A 108.7 . . ?
O2A C42A H42B 109.6 . . ?
H42A C42A H42B 109.5 . . ?
O2A C42A H42C 110.1 . . ?
H42A C42A H42C 109.5 . . ?
H42B C42A H42C 109.5 . . ?
O2A C42A H42D 79.3 . . ?
H42A C42A H42D 45.9 . . ?
H42B C42A H42D 87.9 . . ?
H42C C42A H42D 154.8 . . ?
O2A C42A H42E 111.7 . . ?
H42A C42A H42E 92.8 . . ?
H42C C42A H42E 122.2 . . ?
H42D C42A H42E 71.7 . . ?
O2A C42A H42F 139.0 . . ?
H42B C42A H42F 96.4 . . ?
H42C C42A H42F 89.2 . . ?
H42D C42A H42F 70.3 . . ?
H42E C42A H42F 84.6 . . ?
C42B O2B Pd2 127.5(14) . . ?
Pd2 O2B H42A 109.0 . . ?
C42B O2B H42C 77.0 . . ?
Pd2 O2B H42C 128.2 . . ?
H42A O2B H42C 73.5 . . ?
O2B C42B H42A 94.0 . . ?
O2B C42B H42B 90.0 . . ?
H42A C42B H42B 148.0 . . ?
O2B C42B H42C 48.8 . . ?
H42A C42B H42C 84.3 . . ?
H42B C42B H42C 74.5 . . ?
O2B C42B H42D 109.1 . . ?
H42A C42B H42D 82.7 . . ?
H42B C42B H42D 125.7 . . ?
H42C C42B H42D 153.4 . . ?
O2B C42B H42E 109.5 . . ?
H42A C42B H42E 147.1 . . ?
H42C C42B H42E 93.9 . . ?
H42D C42B H42E 109.5 . . ?
O2B C42B H42F 109.8 . . ?
H42B C42B H42F 110.6 . . ?
H42C C42B H42F 72.7 . . ?
H42D C42B H42F 109.5 . . ?
H42E C42B H42F 109.5 . . ?
C27 C22 C23 118.0(5) . . ?
C27 C22 Pd2 120.9(4) . . ?
C23 C22 Pd2 121.1(4) . . ?
C24 C23 C22 120.3(5) . . ?
C24 C23 C28 119.8(5) . . ?
C22 C23 C28 119.9(5) . . ?
C25 C24 C23 121.1(6) . . ?
C25 C24 H24 119.4 . . ?
C23 C24 H24 119.5 . . ?
C24 C25 C26 119.3(6) . . ?
C24 C25 H25 120.4 . . ?
C26 C25 H25 120.3 . . ?
C25 C26 C27 121.0(6) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 H26 119.5 . . ?
C26 C27 C22 120.4(6) . . ?
C26 C27 C29 120.0(5) . . ?
C22 C27 C29 119.7(5) . . ?
C23 C28 P3 109.6(4) . . ?
C23 C28 H28A 109.7 . . ?
P3 C28 H28A 109.7 . . ?
C23 C28 H28B 109.8 . . ?
P3 C28 H28B 109.7 . . ?
H28A C28 H28B 108.2 . . ?
C27 C29 P4 107.9(4) . . ?
C27 C29 H29A 110.1 . . ?
P4 C29 H29A 110.1 . . ?
C27 C29 H29B 110.2 . . ?
P4 C29 H29B 110.2 . . ?
H29A C29 H29B 108.5 . . ?
C31 C30 C32 110.8(6) . . ?
C31 C30 P3 110.0(4) . . ?
C32 C30 P3 114.4(5) . . ?
C31 C30 H30 107.1 . . ?
C32 C30 H30 107.1 . . ?
P3 C30 H30 107.1 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.4 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C35 110.7(7) . . ?
C34 C33 P3 109.9(5) . . ?
C35 C33 P3 108.9(5) . . ?
C34 C33 H33 109.1 . . ?
C35 C33 H33 109.2 . . ?
P3 C33 H33 109.1 . . ?
C33 C34 H34A 109.3 . . ?
C33 C34 H34B 109.7 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.4 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.4 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C38 C36 C37 111.3(6) . . ?
C38 C36 P4 110.7(4) . . ?
C37 C36 P4 108.9(4) . . ?
C38 C36 H36 108.6 . . ?
C37 C36 H36 108.5 . . ?
P4 C36 H36 108.7 . . ?
C36 C37 H37A 109.4 . . ?
C36 C37 H37B 109.6 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.4 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.4 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 C41 112.1(7) . . ?
C40 C39 P4 110.1(5) . . ?
C41 C39 P4 113.5(6) . . ?
C40 C39 H39 107.0 . . ?
C41 C39 H39 106.7 . . ?
P4 C39 H39 107.1 . . ?
C39 C40 H40A 109.4 . . ?
C39 C40 H40B 109.7 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.4 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.0 . . ?
C39 C41 H41B 109.8 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 C1 2.020(5) . ?
Pd1 O1B 2.074(15) . ?
Pd1 O1A 2.088(9) . ?
Pd1 P2 2.2660(16) . ?
Pd1 P1 2.2829(16) . ?
P1 C7 1.825(7) . ?
P1 C9 1.840(7) . ?
P1 C12 1.841(7) . ?
P2 C18 1.823(6) . ?
P2 C8 1.829(7) . ?
P2 C15 1.847(7) . ?
O1A C21A 1.297(12) . ?
C21A H21A 0.9800 . ?
C21A H21B 0.9800 . ?
C21A H21C 0.9800 . ?
O1B C21B 1.289(17) . ?
C21B H21D 0.9800 . ?
C21B H21E 0.9800 . ?
C21B H21F 0.9800 . ?
C1 C2 1.404(8) . ?
C1 C6 1.415(8) . ?
C2 C3 1.408(8) . ?
C2 C7 1.509(8) . ?
C3 C4 1.375(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.387(9) . ?
C4 H4 0.9500 . ?
C5 C6 1.409(8) . ?
C5 H5 0.9500 . ?
C6 C8 1.503(9) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C11 1.504(12) . ?
C9 C10 1.532(12) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.512(11) . ?
C12 C14 1.524(10) . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.524(10) . ?
C15 C17 1.529(11) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C20 1.507(9) . ?
C18 C19 1.545(10) . ?
C18 H18 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
Pd2 O2A 2.024(13) . ?
Pd2 C22 2.028(5) . ?
Pd2 O2B 2.125(15) . ?
Pd2 P4 2.2691(15) . ?
Pd2 P3 2.2894(16) . ?
P3 C30 1.822(7) . ?
P3 C28 1.833(6) . ?
P3 C33 1.835(6) . ?
P4 C39 1.826(6) . ?
P4 C29 1.831(6) . ?
P4 C36 1.832(6) . ?
O2A C42A 1.243(16) . ?
C42A H42A 0.9800 . ?
C42A H42B 0.9800 . ?
C42A H42C 0.9800 . ?
O2B C42B 1.275(16) . ?
C42B H42D 0.9800 . ?
C42B H42E 0.9800 . ?
C42B H42F 0.9800 . ?
C22 C27 1.399(7) . ?
C22 C23 1.420(8) . ?
C23 C24 1.386(8) . ?
C23 C28 1.493(8) . ?
C24 C25 1.379(9) . ?
C24 H24 0.9500 . ?
C25 C26 1.383(9) . ?
C25 H25 0.9500 . ?
C26 C27 1.395(8) . ?
C26 H26 0.9500 . ?
C27 C29 1.512(8) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.526(10) . ?
C30 C32 1.527(9) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.524(11) . ?
C33 C35 1.532(12) . ?
C33 H33 1.0000 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C38 1.510(9) . ?
C36 C37 1.523(9) . ?
C36 H36 1.0000 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.519(9) . ?
C39 C41 1.532(11) . ?
C39 H39 1.0000 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Pd1 P1 C7 -12.6(3) . . . . ?
O1B Pd1 P1 C7 151.2(5) . . . . ?
O1A Pd1 P1 C7 173.5(5) . . . . ?
P2 Pd1 P1 C7 -3.6(4) . . . . ?
C1 Pd1 P1 C9 102.1(4) . . . . ?
O1B Pd1 P1 C9 -94.1(5) . . . . ?
O1A Pd1 P1 C9 -71.8(5) . . . . ?
P2 Pd1 P1 C9 111.1(4) . . . . ?
C1 Pd1 P1 C12 -129.6(3) . . . . ?
O1B Pd1 P1 C12 34.3(5) . . . . ?
O1A Pd1 P1 C12 56.5(5) . . . . ?
P2 Pd1 P1 C12 -120.6(4) . . . . ?
C1 Pd1 P2 C18 97.0(3) . . . . ?
O1B Pd1 P2 C18 -65.9(5) . . . . ?
O1A Pd1 P2 C18 -89.3(5) . . . . ?
P1 Pd1 P2 C18 88.0(4) . . . . ?
C1 Pd1 P2 C8 -16.5(3) . . . . ?
O1B Pd1 P2 C8 -179.3(5) . . . . ?
O1A Pd1 P2 C8 157.3(5) . . . . ?
P1 Pd1 P2 C8 -25.5(4) . . . . ?
C1 Pd1 P2 C15 -134.7(3) . . . . ?
O1B Pd1 P2 C15 62.4(6) . . . . ?
O1A Pd1 P2 C15 39.0(5) . . . . ?
P1 Pd1 P2 C15 -143.7(4) . . . . ?
O1B Pd1 O1A C21A 28.7(14) . . . . ?
P2 Pd1 O1A C21A 155.8(13) . . . . ?
P1 Pd1 O1A C21A -23.5(14) . . . . ?
C1 Pd1 O1B C21B -168.9(14) . . . . ?
O1A Pd1 O1B C21B 3.8(16) . . . . ?
P2 Pd1 O1B C21B -52.1(18) . . . . ?
P1 Pd1 O1B C21B 133.8(17) . . . . ?
O1B Pd1 C1 C2 -47.9(17) . . . . ?
P2 Pd1 C1 C2 -168.1(4) . . . . ?
P1 Pd1 C1 C2 9.8(4) . . . . ?
O1B Pd1 C1 C6 129.1(16) . . . . ?
P2 Pd1 C1 C6 8.9(4) . . . . ?
P1 Pd1 C1 C6 -173.2(4) . . . . ?
C6 C1 C2 C3 -0.9(8) . . . . ?
Pd1 C1 C2 C3 176.2(4) . . . . ?
C6 C1 C2 C7 -179.1(5) . . . . ?
Pd1 C1 C2 C7 -2.0(7) . . . . ?
C1 C2 C3 C4 0.1(8) . . . . ?
C7 C2 C3 C4 178.3(5) . . . . ?
C2 C3 C4 C5 0.4(8) . . . . ?
C3 C4 C5 C6 0.0(9) . . . . ?
C4 C5 C6 C1 -0.8(8) . . . . ?
C4 C5 C6 C8 178.3(5) . . . . ?
C2 C1 C6 C5 1.2(8) . . . . ?
Pd1 C1 C6 C5 -175.9(4) . . . . ?
C2 C1 C6 C8 -177.9(5) . . . . ?
Pd1 C1 C6 C8 5.0(7) . . . . ?
C1 C2 C7 P1 -9.8(7) . . . . ?
C3 C2 C7 P1 172.0(4) . . . . ?
C9 P1 C7 C2 -107.4(5) . . . . ?
C12 P1 C7 C2 140.3(5) . . . . ?
Pd1 P1 C7 C2 14.9(5) . . . . ?
C5 C6 C8 P2 161.4(4) . . . . ?
C1 C6 C8 P2 -19.5(7) . . . . ?
C18 P2 C8 C6 -96.8(4) . . . . ?
C15 P2 C8 C6 150.8(4) . . . . ?
Pd1 P2 C8 C6 22.7(4) . . . . ?
C7 P1 C9 C11 58.6(7) . . . . ?
C12 P1 C9 C11 170.5(6) . . . . ?
Pd1 P1 C9 C11 -55.6(7) . . . . ?
C7 P1 C9 C10 179.2(6) . . . . ?
C12 P1 C9 C10 -68.9(7) . . . . ?
Pd1 P1 C9 C10 65.1(6) . . . . ?
C7 P1 C12 C13 -65.7(6) . . . . ?
C9 P1 C12 C13 -177.1(5) . . . . ?
Pd1 P1 C12 C13 50.3(6) . . . . ?
C7 P1 C12 C14 59.5(6) . . . . ?
C9 P1 C12 C14 -51.8(7) . . . . ?
Pd1 P1 C12 C14 175.6(5) . . . . ?
C18 P2 C15 C16 179.7(6) . . . . ?
C8 P2 C15 C16 -68.6(7) . . . . ?
Pd1 P2 C15 C16 48.1(7) . . . . ?
C18 P2 C15 C17 -55.2(7) . . . . ?
C8 P2 C15 C17 56.5(7) . . . . ?
Pd1 P2 C15 C17 173.2(6) . . . . ?
C8 P2 C18 C20 67.6(6) . . . . ?
C15 P2 C18 C20 180.0(5) . . . . ?
Pd1 P2 C18 C20 -44.5(6) . . . . ?
C8 P2 C18 C19 -169.4(5) . . . . ?
C15 P2 C18 C19 -57.1(6) . . . . ?
Pd1 P2 C18 C19 78.4(5) . . . . ?
O2A Pd2 P3 C30 -60.7(4) . . . . ?
C22 Pd2 P3 C30 130.2(3) . . . . ?
O2B Pd2 P3 C30 -42.0(6) . . . . ?
P4 Pd2 P3 C30 122.2(3) . . . . ?
O2A Pd2 P3 C28 -177.2(4) . . . . ?
C22 Pd2 P3 C28 13.8(3) . . . . ?
O2B Pd2 P3 C28 -158.4(6) . . . . ?
P4 Pd2 P3 C28 5.8(4) . . . . ?
O2A Pd2 P3 C33 67.8(5) . . . . ?
C22 Pd2 P3 C33 -101.3(3) . . . . ?
O2B Pd2 P3 C33 86.5(6) . . . . ?
P4 Pd2 P3 C33 -109.3(4) . . . . ?
O2A Pd2 P4 C39 -33.4(5) . . . . ?
C22 Pd2 P4 C39 135.8(3) . . . . ?
O2B Pd2 P4 C39 -51.7(6) . . . . ?
P3 Pd2 P4 C39 143.8(4) . . . . ?
O2A Pd2 P4 C29 -151.6(4) . . . . ?
C22 Pd2 P4 C29 17.5(3) . . . . ?
O2B Pd2 P4 C29 -170.0(6) . . . . ?
P3 Pd2 P4 C29 25.5(3) . . . . ?
O2A Pd2 P4 C36 93.9(4) . . . . ?
C22 Pd2 P4 C36 -97.0(3) . . . . ?
O2B Pd2 P4 C36 75.5(6) . . . . ?
P3 Pd2 P4 C36 -89.0(3) . . . . ?
C22 Pd2 O2A C42A -175.3(16) . . . . ?
O2B Pd2 O2A C42A -22(2) . . . . ?
P4 Pd2 O2A C42A -120.7(18) . . . . ?
P3 Pd2 O2A C42A 60.0(18) . . . . ?
O2A Pd2 O2B C42B 86(3) . . . . ?
P4 Pd2 O2B C42B 167(2) . . . . ?
P3 Pd2 O2B C42B -16(2) . . . . ?
O2A Pd2 C22 C27 45(2) . . . . ?
P4 Pd2 C22 C27 -10.2(4) . . . . ?
P3 Pd2 C22 C27 171.7(4) . . . . ?
O2A Pd2 C22 C23 -136.9(19) . . . . ?
P4 Pd2 C22 C23 167.9(4) . . . . ?
P3 Pd2 C22 C23 -10.2(4) . . . . ?
C27 C22 C23 C24 2.0(7) . . . . ?
Pd2 C22 C23 C24 -176.3(4) . . . . ?
C27 C22 C23 C28 179.1(5) . . . . ?
Pd2 C22 C23 C28 0.9(7) . . . . ?
C22 C23 C24 C25 -1.2(8) . . . . ?
C28 C23 C24 C25 -178.3(5) . . . . ?
C23 C24 C25 C26 0.1(9) . . . . ?
C24 C25 C26 C27 0.1(9) . . . . ?
C25 C26 C27 C22 0.8(8) . . . . ?
C25 C26 C27 C29 -178.8(5) . . . . ?
C23 C22 C27 C26 -1.8(8) . . . . ?
Pd2 C22 C27 C26 176.5(4) . . . . ?
C23 C22 C27 C29 177.8(5) . . . . ?
Pd2 C22 C27 C29 -4.0(7) . . . . ?
C24 C23 C28 P3 -170.8(4) . . . . ?
C22 C23 C28 P3 12.0(6) . . . . ?
C30 P3 C28 C23 -144.7(4) . . . . ?
C33 P3 C28 C23 104.4(5) . . . . ?
Pd2 P3 C28 C23 -17.0(4) . . . . ?
C26 C27 C29 P4 -160.9(4) . . . . ?
C22 C27 C29 P4 19.6(6) . . . . ?
C39 P4 C29 C27 -151.6(4) . . . . ?
C36 P4 C29 C27 96.7(4) . . . . ?
Pd2 P4 C29 C27 -23.6(4) . . . . ?
C28 P3 C30 C31 68.9(5) . . . . ?
C33 P3 C30 C31 -179.6(5) . . . . ?
Pd2 P3 C30 C31 -46.8(6) . . . . ?
C28 P3 C30 C32 -56.6(6) . . . . ?
C33 P3 C30 C32 55.0(6) . . . . ?
Pd2 P3 C30 C32 -172.3(4) . . . . ?
C30 P3 C33 C34 69.4(7) . . . . ?
C28 P3 C33 C34 179.9(6) . . . . ?
Pd2 P3 C33 C34 -66.8(7) . . . . ?
C30 P3 C33 C35 -169.3(6) . . . . ?
C28 P3 C33 C35 -58.7(6) . . . . ?
Pd2 P3 C33 C35 54.6(6) . . . . ?
C39 P4 C36 C38 59.5(6) . . . . ?
C29 P4 C36 C38 171.9(5) . . . . ?
Pd2 P4 C36 C38 -75.5(5) . . . . ?
C39 P4 C36 C37 -177.8(5) . . . . ?
C29 P4 C36 C37 -65.4(5) . . . . ?
Pd2 P4 C36 C37 47.3(5) . . . . ?
C29 P4 C39 C40 72.5(7) . . . . ?
C36 P4 C39 C40 -175.2(6) . . . . ?
Pd2 P4 C39 C40 -44.0(7) . . . . ?
C29 P4 C39 C41 -54.0(7) . . . . ?
C36 P4 C39 C41 58.3(7) . . . . ?
Pd2 P4 C39 C41 -170.5(6) . . . . ?
