#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:59:54 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179224 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/46/4314666.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_4314666
loop_
_publ_author_name
'Mingjun Yuan'
'Na Zhang'
'Sumod A. Pullarkat'
'Yongxin Li'
'Fengli Liu'
'Phuong-Tu Pham'
'Pak-Hing Leung'
_publ_section_title
;
 Asymmetric Synthesis of Functionalized 1,3-Diphosphines via Chiral
 Palladium Complex Promoted Hydrophosphination of Activated Olefins
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              989
_journal_page_last               996
_journal_paper_doi               10.1021/ic9018053
_journal_volume                  49
_journal_year                    2010
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C30 H30 Cl2 O P2 Pd'
_chemical_formula_sum            'C30 H30 Cl2 O P2 Pd'
_chemical_formula_weight         645.78
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           1
_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                97.704(5)
_cell_angle_beta                 99.824(5)
_cell_angle_gamma                107.217(5)
_cell_formula_units_Z            2
_cell_length_a                   8.5973(10)
_cell_length_b                   10.8849(12)
_cell_length_c                   16.260(2)
_cell_measurement_reflns_used    9972
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     1404.3(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0408
_diffrn_reflns_av_sigmaI/netI    0.0396
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            35186
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    0.987
_exptl_absorpt_correction_T_max  0.9252
_exptl_absorpt_correction_T_min  0.8270
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.717
_refine_diff_density_min         -0.966
_refine_diff_density_rms         0.088
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.06(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     651
_refine_ls_number_reflns         9991
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0302
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0397P)²+1.1710P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0916
_reflns_number_gt                8868
_reflns_number_total             9991
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9018053_si_001_3.cif
_cod_data_source_block           leung274
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4314666
loop_
_symmetry_equiv_pos_as_xyz
'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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.06546(3) 0.38908(3) 0.90858(2) 0.02430(13) Uani 1 1 d . . .
Pd2 Pd 0.22929(3) 0.23331(3) 0.36131(2) 0.02501(13) Uani 1 1 d . . .
C1 C 0.3049(9) 0.2112(8) 0.9792(5) 0.0319(18) Uani 1 1 d D . .
C2 C 0.2318(11) 0.2125(9) 1.0496(5) 0.041(2) Uani 1 1 d D . .
H2 H 0.1333 0.2341 1.0478 0.050 Uiso 1 1 calc R . .
C3 C 0.3084(12) 0.1812(11) 1.1221(6) 0.057(3) Uani 1 1 d D . .
H3 H 0.2558 0.1764 1.1683 0.068 Uiso 1 1 calc R . .
C4 C 0.4566(11) 0.1570(10) 1.1298(6) 0.051(2) Uani 1 1 d D . .
H4 H 0.5056 0.1362 1.1800 0.062 Uiso 1 1 calc R . .
C5 C 0.5316(11) 0.1640(11) 1.0616(6) 0.056(2) Uani 1 1 d D . .
H5 H 0.6369 0.1529 1.0665 0.067 Uiso 1 1 calc R . .
C6 C 0.4546(11) 0.1872(11) 0.9857(6) 0.049(2) Uani 1 1 d D . .
H6 H 0.5048 0.1865 0.9387 0.059 Uiso 1 1 calc R . .
C7 C 0.0579(9) 0.0746(8) 0.8272(5) 0.0293(17) Uani 1 1 d . . .
C8 C 0.0620(11) -0.0305(8) 0.8636(5) 0.041(2) Uani 1 1 d . . .
H8 H 0.1325 -0.0208 0.9167 0.049 Uiso 1 1 calc R . .
C9 C -0.0475(15) -0.1577(10) 0.8164(8) 0.063(3) Uani 1 1 d . . .
H9 H -0.0470 -0.2327 0.8391 0.076 Uiso 1 1 calc R . .
C10 C -0.1491(13) -0.1716(10) 0.7418(7) 0.058(3) Uani 1 1 d . . .
H10 H -0.2211 -0.2550 0.7127 0.069 Uiso 1 1 calc R . .
C11 C -0.1470(12) -0.0615(10) 0.7078(6) 0.060(3) Uani 1 1 d . . .
H11 H -0.2150 -0.0715 0.6539 0.072 Uiso 1 1 calc R . .
C12 C -0.0471(11) 0.0637(9) 0.7511(6) 0.046(2) Uani 1 1 d . . .
H12 H -0.0515 0.1383 0.7289 0.055 Uiso 1 1 calc R . .
C13 C 0.3313(9) 0.2925(7) 0.8078(5) 0.0331(16) Uani 1 1 d . . .
H13 H 0.2610 0.3191 0.7635 0.040 Uiso 1 1 calc R . .
C14 C 0.3831(7) 0.1892(5) 0.7590(3) 0.0380(11) Uani 1 1 d . . .
H14A H 0.2963 0.1038 0.7508 0.046 Uiso 1 1 calc R . .
H14B H 0.4862 0.1839 0.7927 0.046 Uiso 1 1 calc R . .
C15 C 0.4119(11) 0.2166(9) 0.6729(5) 0.045(2) Uani 1 1 d . . .
C16 C 0.4971(11) 0.1354(7) 0.6272(5) 0.072(2) Uani 1 1 d . . .
H16A H 0.5023 0.1575 0.5716 0.108 Uiso 1 1 calc R . .
H16B H 0.4346 0.0431 0.6203 0.108 Uiso 1 1 calc R . .
H16C H 0.6094 0.1533 0.6600 0.108 Uiso 1 1 calc R . .
C17 C 0.4841(11) 0.4180(9) 0.8457(7) 0.052(3) Uani 1 1 d . . .
H17A H 0.5843 0.3915 0.8504 0.062 Uiso 1 1 calc R . .
H17B H 0.4895 0.4751 0.8038 0.062 Uiso 1 1 calc R . .
C18 C 0.4968(9) 0.4993(10) 0.9293(6) 0.046(2) Uani 1 1 d . . .
H18A H 0.5957 0.5777 0.9404 0.055 Uiso 1 1 calc R . .
H18B H 0.5132 0.4493 0.9739 0.055 Uiso 1 1 calc R . .
C19 C 0.3267(11) 0.6696(8) 0.8654(6) 0.037(2) Uani 1 1 d . . .
C20 C 0.2192(13) 0.6359(10) 0.7862(6) 0.048(2) Uani 1 1 d . . .
H20 H 0.1286 0.5572 0.7716 0.058 Uiso 1 1 calc R . .
C21 C 0.2454(17) 0.7178(11) 0.7288(7) 0.067(3) Uani 1 1 d . . .
H21 H 0.1709 0.6965 0.6756 0.081 Uiso 1 1 calc R . .
C22 C 0.3786(16) 0.8291(12) 0.7491(7) 0.064(3) Uani 1 1 d D . .
H22 H 0.3989 0.8822 0.7084 0.077 Uiso 1 1 calc R . .
C23 C 0.4834(15) 0.8655(10) 0.8270(7) 0.069(3) Uani 1 1 d D . .
H23 H 0.5717 0.9456 0.8409 0.083 Uiso 1 1 calc R . .
C24 C 0.4608(10) 0.7854(8) 0.8860(6) 0.044(2) Uani 1 1 d D . .
H24 H 0.5353 0.8090 0.9394 0.053 Uiso 1 1 calc R . .
C25 C 0.3578(10) 0.6409(8) 1.0457(5) 0.0349(19) Uani 1 1 d . . .
C26 C 0.3254(12) 0.7572(8) 1.0666(6) 0.044(2) Uani 1 1 d . . .
H26 H 0.2856 0.7958 1.0228 0.053 Uiso 1 1 calc R . .
C27 C 0.3500(13) 0.8178(10) 1.1503(7) 0.052(2) Uani 1 1 d . . .
H27 H 0.3250 0.8958 1.1628 0.062 Uiso 1 1 calc R . .
C28 C 0.4108(13) 0.7641(12) 1.2149(7) 0.063(3) Uani 1 1 d . . .
H28 H 0.4280 0.8058 1.2718 0.075 Uiso 1 1 calc R . .
C29 C 0.4469(14) 0.6495(13) 1.1971(7) 0.067(3) Uani 1 1 d . . .
H29 H 0.4895 0.6135 1.2417 0.080 Uiso 1 1 calc R . .
C30 C 0.4196(13) 0.5857(10) 1.1109(6) 0.052(3) Uani 1 1 d . . .
H30 H 0.4431 0.5071 1.0983 0.062 Uiso 1 1 calc R . .
C31 C 0.0017(9) 0.4110(8) 0.2831(4) 0.0275(16) Uani 1 1 d . . .
C32 C 0.0789(11) 0.4146(10) 0.2174(5) 0.042(2) Uani 1 1 d . . .
H32 H 0.1837 0.4023 0.2251 0.050 Uiso 1 1 calc R . .
C33 C 0.0097(11) 0.4358(10) 0.1384(5) 0.044(2) Uani 1 1 d . . .
H33 H 0.0645 0.4342 0.0931 0.053 Uiso 1 1 calc R . .
C34 C -0.1366(12) 0.4585(11) 0.1288(6) 0.053(2) Uani 1 1 d . . .
H34 H -0.1863 0.4713 0.0759 0.064 Uiso 1 1 calc R . .
C35 C -0.2135(14) 0.4631(15) 0.1945(7) 0.079(4) Uani 1 1 d . . .
H35 H -0.3115 0.4860 0.1875 0.095 Uiso 1 1 calc R . .
C36 C -0.1520(12) 0.4351(11) 0.2718(6) 0.050(2) Uani 1 1 d . . .
H36 H -0.2112 0.4323 0.3155 0.060 Uiso 1 1 calc R . .
C37 C 0.2446(10) 0.5466(8) 0.4362(5) 0.0296(17) Uani 1 1 d . . .
C38 C 0.2332(12) 0.6631(9) 0.4088(6) 0.045(2) Uani 1 1 d . . .
H38 H 0.1476 0.6560 0.3621 0.053 Uiso 1 1 calc R . .
C39 C 0.3400(14) 0.7827(9) 0.4470(6) 0.050(2) Uani 1 1 d . . .
H39 H 0.3310 0.8574 0.4261 0.060 Uiso 1 1 calc R . .
C40 C 0.4619(14) 0.7947(11) 0.5165(7) 0.065(3) Uani 1 1 d . . .
H40 H 0.5375 0.8783 0.5430 0.078 Uiso 1 1 calc R . .
C41 C 0.4760(11) 0.6869(10) 0.5484(6) 0.053(2) Uani 1 1 d . . .
H41 H 0.5588 0.6971 0.5971 0.064 Uiso 1 1 calc R . .
C42 C 0.3689(11) 0.5644(9) 0.5091(5) 0.0381(18) Uani 1 1 d . . .
H42 H 0.3789 0.4910 0.5313 0.046 Uiso 1 1 calc R . .
C43 C -0.0587(9) 0.3485(8) 0.4479(5) 0.0313(15) Uani 1 1 d . . .
H43 H -0.1265 0.4064 0.4369 0.038 Uiso 1 1 calc R . .
C44 C 0.0241(7) 0.3872(6) 0.5442(3) 0.0466(13) Uani 1 1 d . . .
H44A H 0.0949 0.3332 0.5571 0.056 Uiso 1 1 calc R . .
H44B H 0.0967 0.4789 0.5568 0.056 Uiso 1 1 calc R . .
C45 C -0.0997(13) 0.3715(9) 0.6029(6) 0.052(2) Uani 1 1 d . . .
C46 C -0.2214(11) 0.4441(7) 0.5952(6) 0.075(2) Uani 1 1 d . . .
H46A H -0.2749 0.4393 0.6432 0.112 Uiso 1 1 calc R . .
H46B H -0.3052 0.4054 0.5427 0.112 Uiso 1 1 calc R . .
H46C H -0.1634 0.5352 0.5949 0.112 Uiso 1 1 calc R . .
C47 C -0.1823(11) 0.2068(10) 0.4263(6) 0.043(2) Uani 1 1 d . . .
H47A H -0.2931 0.2106 0.4307 0.052 Uiso 1 1 calc R . .
H47B H -0.1484 0.1596 0.4697 0.052 Uiso 1 1 calc R . .
C48 C -0.1981(10) 0.1252(8) 0.3372(5) 0.0353(19) Uani 1 1 d . . .
H48A H -0.2121 0.1781 0.2940 0.042 Uiso 1 1 calc R . .
H48B H -0.2982 0.0475 0.3246 0.042 Uiso 1 1 calc R . .
C49 C -0.0388(11) -0.0466(9) 0.3986(5) 0.0358(19) Uani 1 1 d . . .
C50 C 0.0665(12) -0.0157(10) 0.4776(6) 0.049(2) Uani 1 1 d . . .
H50 H 0.1553 0.0640 0.4940 0.059 Uiso 1 1 calc R . .
C51 C 0.0412(14) -0.1032(13) 0.5338(7) 0.068(3) Uani 1 1 d . . .
H51 H 0.1105 -0.0805 0.5886 0.082 Uiso 1 1 calc R . .
C52 C -0.0837(16) -0.2211(12) 0.5091(8) 0.073(3) Uani 1 1 d . . .
H52 H -0.0972 -0.2804 0.5464 0.088 Uiso 1 1 calc R . .
C53 C -0.1895(15) -0.2540(10) 0.4309(7) 0.062(3) Uani 1 1 d . . .
H53 H -0.2760 -0.3350 0.4148 0.075 Uiso 1 1 calc R . .
C54 C -0.1686(13) -0.1662(9) 0.3742(6) 0.059(3) Uani 1 1 d . . .
H54 H -0.2416 -0.1880 0.3204 0.071 Uiso 1 1 calc R . .
C55 C -0.0613(10) -0.0131(8) 0.2212(5) 0.0325(19) Uani 1 1 d . . .
C56 C -0.0277(12) -0.1280(10) 0.2014(6) 0.046(2) Uani 1 1 d . . .
H56 H 0.0175 -0.1647 0.2448 0.055 Uiso 1 1 calc R . .
C57 C -0.0610(13) -0.1897(11) 0.1165(7) 0.058(3) Uani 1 1 d . . .
H57 H -0.0447 -0.2711 0.1031 0.069 Uiso 1 1 calc R . .
C58 C -0.1173(11) -0.1332(10) 0.0523(6) 0.048(2) Uani 1 1 d . . .
H58 H -0.1371 -0.1742 -0.0049 0.058 Uiso 1 1 calc R . .
C59 C -0.1441(13) -0.0166(10) 0.0727(6) 0.048(2) Uani 1 1 d . . .
H59 H -0.1808 0.0236 0.0290 0.058 Uiso 1 1 calc R . .
C60 C -0.1187(12) 0.0420(9) 0.1550(6) 0.044(2) Uani 1 1 d . . .
H60 H -0.1403 0.1214 0.1676 0.053 Uiso 1 1 calc R . .
Cl1 Cl -0.1876(3) 0.2225(2) 0.90044(17) 0.0449(6) Uani 1 1 d . . .
Cl2 Cl -0.0576(3) 0.5560(2) 0.92791(16) 0.0396(6) Uani 1 1 d . . .
Cl3 Cl 0.4891(3) 0.3924(2) 0.36840(18) 0.0461(6) Uani 1 1 d . . .
Cl4 Cl 0.3484(3) 0.0656(2) 0.33998(17) 0.0416(6) Uani 1 1 d . . .
O1 O 0.3709(10) 0.3023(8) 0.6415(4) 0.076(2) Uani 1 1 d . . .
O2 O -0.0946(11) 0.3034(10) 0.6543(5) 0.108(3) Uani 1 1 d . . .
P1 P 0.1943(3) 0.2408(2) 0.88322(14) 0.0253(5) Uani 1 1 d . . .
P2 P 0.3112(3) 0.5516(2) 0.93621(16) 0.0314(5) Uani 1 1 d . . .
P3 P 0.1033(3) 0.3860(2) 0.38393(14) 0.0254(5) Uani 1 1 d . . .
P4 P -0.0184(3) 0.0736(2) 0.33056(15) 0.0281(5) Uani 1 1 d . . .
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'
Cl Cl 0.1484 0.1585 '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
P1 Pd1 P2 90.13(9) . . ?
P1 Pd1 Cl1 91.42(9) . . ?
P2 Pd1 Cl1 171.97(10) . . ?
P1 Pd1 Cl2 175.13(9) . . ?
P2 Pd1 Cl2 86.54(9) . . ?
Cl1 Pd1 Cl2 92.36(9) . . ?
P4 Pd2 P3 90.44(9) . . ?
P4 Pd2 Cl4 86.72(9) . . ?
P3 Pd2 Cl4 176.78(10) . . ?
P4 Pd2 Cl3 170.08(10) . . ?
P3 Pd2 Cl3 92.93(8) . . ?
Cl4 Pd2 Cl3 90.12(9) . . ?
C6 C1 C2 119.4(8) . . ?
C6 C1 P1 123.4(6) . . ?
C2 C1 P1 117.1(6) . . ?
C3 C2 C1 118.1(8) . . ?
C4 C3 C2 123.2(8) . . ?
C3 C4 C5 117.7(8) . . ?
C4 C5 C6 121.2(8) . . ?
C1 C6 C5 120.1(8) . . ?
C8 C7 C12 122.9(8) . . ?
C8 C7 P1 119.5(6) . . ?
C12 C7 P1 117.6(6) . . ?
C7 C8 C9 116.7(9) . . ?
C10 C9 C8 121.8(10) . . ?
C9 C10 C11 118.9(10) . . ?
C10 C11 C12 121.8(9) . . ?
C7 C12 C11 117.7(9) . . ?
C14 C13 C17 110.4(6) . . ?
C14 C13 P1 117.7(5) . . ?
C17 C13 P1 114.3(6) . . ?
C13 C14 C15 112.9(5) . . ?
O1 C15 C16 120.7(8) . . ?
O1 C15 C14 122.5(8) . . ?
C16 C15 C14 116.8(7) . . ?
C18 C17 C13 120.3(7) . . ?
C17 C18 P2 114.2(6) . . ?
C20 C19 C24 119.6(8) . . ?
C20 C19 P2 120.1(7) . . ?
C24 C19 P2 119.6(7) . . ?
C21 C20 C19 119.8(10) . . ?
C22 C21 C20 120.0(11) . . ?
C21 C22 C23 121.2(10) . . ?
C22 C23 C24 120.2(10) . . ?
C23 C24 C19 119.1(9) . . ?
C26 C25 C30 118.8(8) . . ?
C26 C25 P2 122.7(7) . . ?
C30 C25 P2 118.3(7) . . ?
C27 C26 C25 121.7(8) . . ?
C28 C27 C26 119.9(9) . . ?
C27 C28 C29 120.5(10) . . ?
C28 C29 C30 119.8(10) . . ?
C25 C30 C29 119.3(9) . . ?
C32 C31 C36 117.9(7) . . ?
C32 C31 P3 119.7(6) . . ?
C36 C31 P3 122.3(6) . . ?
C31 C32 C33 122.9(8) . . ?
C34 C33 C32 118.4(8) . . ?
C33 C34 C35 120.7(9) . . ?
C34 C35 C36 121.9(9) . . ?
C35 C36 C31 118.1(8) . . ?
C42 C37 C38 115.9(8) . . ?
C42 C37 P3 121.5(6) . . ?
C38 C37 P3 122.5(6) . . ?
C39 C38 C37 122.6(9) . . ?
C38 C39 C40 119.3(9) . . ?
C39 C40 C41 121.1(10) . . ?
C42 C41 C40 119.8(9) . . ?
C41 C42 C37 121.1(8) . . ?
C47 C43 C44 110.2(6) . . ?
C47 C43 P3 116.5(6) . . ?
C44 C43 P3 110.2(4) . . ?
C45 C44 C43 114.4(6) . . ?
O2 C45 C46 121.5(9) . . ?
O2 C45 C44 119.7(9) . . ?
C46 C45 C44 118.8(7) . . ?
C43 C47 C48 116.4(7) . . ?
C47 C48 P4 112.7(6) . . ?
C50 C49 C54 119.6(8) . . ?
C50 C49 P4 119.7(7) . . ?
C54 C49 P4 120.5(7) . . ?
C49 C50 C51 120.0(10) . . ?
C52 C51 C50 120.2(11) . . ?
C51 C52 C53 120.8(10) . . ?
C52 C53 C54 119.9(10) . . ?
C49 C54 C53 119.5(10) . . ?
C56 C55 C60 118.4(8) . . ?
C56 C55 P4 121.9(7) . . ?
C60 C55 P4 119.5(6) . . ?
C55 C56 C57 119.6(9) . . ?
C58 C57 C56 120.7(9) . . ?
C59 C58 C57 119.1(9) . . ?
C60 C59 C58 120.8(9) . . ?
C59 C60 C55 121.2(9) . . ?
C1 P1 C7 103.1(4) . . ?
C1 P1 C13 112.8(3) . . ?
C7 P1 C13 102.5(4) . . ?
C1 P1 Pd1 113.0(3) . . ?
C7 P1 Pd1 116.1(3) . . ?
C13 P1 Pd1 108.9(2) . . ?
C25 P2 C19 108.5(4) . . ?
C25 P2 C18 104.2(4) . . ?
C19 P2 C18 102.3(4) . . ?
C25 P2 Pd1 109.9(3) . . ?
C19 P2 Pd1 115.4(3) . . ?
C18 P2 Pd1 115.7(3) . . ?
C37 P3 C31 104.3(4) . . ?
C37 P3 C43 105.0(4) . . ?
C31 P3 C43 106.4(3) . . ?
C37 P3 Pd2 114.2(3) . . ?
C31 P3 Pd2 110.2(3) . . ?
C43 P3 Pd2 115.9(3) . . ?
C48 P4 C49 102.0(4) . . ?
C48 P4 C55 104.8(4) . . ?
C49 P4 C55 107.9(4) . . ?
C48 P4 Pd2 116.2(3) . . ?
C49 P4 Pd2 115.3(3) . . ?
C55 P4 Pd2 109.7(3) . . ?
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 P1 2.245(2) . ?
Pd1 P2 2.246(3) . ?
Pd1 Cl1 2.353(2) . ?
Pd1 Cl2 2.370(2) . ?
Pd2 P4 2.241(2) . ?
Pd2 P3 2.261(2) . ?
Pd2 Cl4 2.358(2) . ?
Pd2 Cl3 2.360(2) . ?
C1 C6 1.376(9) . ?
C1 C2 1.398(9) . ?
C1 P1 1.804(8) . ?
C2 C3 1.384(9) . ?
C3 C4 1.364(9) . ?
C4 C5 1.374(10) . ?
C5 C6 1.389(10) . ?
C7 C8 1.363(12) . ?
C7 C12 1.370(12) . ?
C7 P1 1.848(8) . ?
C8 C9 1.445(14) . ?
C9 C10 1.329(15) . ?
C10 C11 1.383(14) . ?
C11 C12 1.391(14) . ?
C13 C14 1.507(8) . ?
C13 C17 1.552(12) . ?
C13 P1 1.869(8) . ?
C14 C15 1.516(9) . ?
C15 O1 1.231(10) . ?
C15 C16 1.504(11) . ?
C17 C18 1.487(14) . ?
C18 P2 1.861(8) . ?
C19 C20 1.384(13) . ?
C19 C24 1.388(13) . ?
C19 P2 1.827(8) . ?
C20 C21 1.375(14) . ?
C21 C22 1.353(18) . ?
C22 C23 1.356(11) . ?
C23 C24 1.380(10) . ?
C25 C26 1.386(12) . ?
C25 C30 1.391(12) . ?
C25 P2 1.827(9) . ?
C26 C27 1.382(13) . ?
C27 C28 1.370(15) . ?
C28 C29 1.379(16) . ?
C29 C30 1.425(14) . ?
C31 C32 1.350(10) . ?
C31 C36 1.408(9) . ?
C31 P3 1.815(7) . ?
C32 C33 1.400(10) . ?
C33 C34 1.340(11) . ?
C34 C35 1.350(13) . ?
C35 C36 1.388(13) . ?
C37 C42 1.403(12) . ?
C37 C38 1.423(11) . ?
C37 P3 1.801(9) . ?
C38 C39 1.344(14) . ?
C39 C40 1.367(15) . ?
C40 C41 1.373(15) . ?
C41 C42 1.371(13) . ?
C43 C47 1.546(12) . ?
C43 C44 1.550(9) . ?
C43 P3 1.860(8) . ?
C44 C45 1.535(10) . ?
C45 O2 1.193(10) . ?
C45 C46 1.486(12) . ?
C47 C48 1.556(12) . ?
C48 P4 1.808(8) . ?
C49 C50 1.375(13) . ?
C49 C54 1.396(13) . ?
C49 P4 1.811(8) . ?
C50 C51 1.402(12) . ?
C51 C52 1.364(18) . ?
C52 C53 1.365(14) . ?
C53 C54 1.409(12) . ?
C55 C56 1.374(12) . ?
C55 C60 1.389(12) . ?
C55 P4 1.819(9) . ?
C56 C57 1.393(14) . ?
C57 C58 1.370(14) . ?
C58 C59 1.364(14) . ?
C59 C60 1.355(13) . ?
