#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:59:54 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179224 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/46/4314665.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_4314665
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 O2 P2 Pd'
_chemical_formula_sum            'C30 H30 Cl2 O2 P2 Pd'
_chemical_formula_weight         661.78
_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                96.552(2)
_cell_angle_beta                 99.248(2)
_cell_angle_gamma                106.096(2)
_cell_formula_units_Z            2
_cell_length_a                   8.6202(3)
_cell_length_b                   10.7327(4)
_cell_length_c                   16.3388(6)
_cell_measurement_reflns_used    8179
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     1413.29(9)
_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 0.972
_diffrn_measured_fraction_theta_max 0.972
_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  0.0352
_diffrn_reflns_av_sigmaI/netI    0.0508
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            31857
_diffrn_reflns_theta_full        30.60
_diffrn_reflns_theta_max         30.60
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    0.986
_exptl_absorpt_correction_T_max  0.9616
_exptl_absorpt_correction_T_min  0.7837
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             672
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.391
_refine_diff_density_min         -1.474
_refine_diff_density_rms         0.161
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.148
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     667
_refine_ls_number_reflns         14208
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.148
_refine_ls_R_factor_all          0.0590
_refine_ls_R_factor_gt           0.0467
_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)+(0.0583P)²+3.8890P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1372
_refine_ls_wR_factor_ref         0.1534
_reflns_number_gt                11993
_reflns_number_total             14208
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9018053_si_001_2.cif
_cod_data_source_block           leung268
_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               4314665
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 0.40705(4) 0.85335(3) 0.55425(2) 0.02202(13) Uani 1 1 d . . .
Pd2 Pd 0.55247(4) 0.66480(3) -0.00277(2) 0.02324(14) Uani 1 1 d . . .
C1 C 0.6313(10) 0.6577(9) 0.6216(5) 0.0217(16) Uani 1 1 d . . .
C2 C 0.5528(13) 0.6526(11) 0.6891(7) 0.039(2) Uani 1 1 d . . .
H2 H 0.4494 0.6670 0.6848 0.047 Uiso 1 1 calc R . .
C3 C 0.6322(16) 0.6251(13) 0.7648(6) 0.047(3) Uani 1 1 d . . .
H3 H 0.5798 0.6198 0.8110 0.056 Uiso 1 1 calc R . .
C4 C 0.7805(15) 0.6064(13) 0.7714(7) 0.045(3) Uani 1 1 d . . .
H4 H 0.8307 0.5880 0.8221 0.054 Uiso 1 1 calc R . .
C5 C 0.8594(18) 0.6138(16) 0.7059(8) 0.054(3) Uani 1 1 d . . .
H5 H 0.9641 0.6014 0.7117 0.065 Uiso 1 1 calc R . .
C6 C 0.7845(13) 0.6401(12) 0.6290(7) 0.039(2) Uani 1 1 d . . .
H6 H 0.8389 0.6456 0.5834 0.047 Uiso 1 1 calc R . .
C7 C 0.3868(12) 0.5400(10) 0.4691(6) 0.0289(19) Uani 1 1 d . . .
C8 C 0.3882(15) 0.4237(11) 0.4981(7) 0.038(2) Uani 1 1 d . . .
H8 H 0.4583 0.4241 0.5486 0.046 Uiso 1 1 calc R . .
C9 C 0.2799(19) 0.3037(13) 0.4490(9) 0.054(3) Uani 1 1 d . . .
H9 H 0.2768 0.2235 0.4676 0.064 Uiso 1 1 calc R . .
C10 C 0.183(2) 0.3044(17) 0.3768(10) 0.070(4) Uani 1 1 d . . .
H10 H 0.1111 0.2249 0.3449 0.084 Uiso 1 1 calc R . .
C11 C 0.1880(19) 0.4223(17) 0.3486(9) 0.073(4) Uani 1 1 d . . .
H11 H 0.1212 0.4209 0.2968 0.087 Uiso 1 1 calc R . .
C12 C 0.2875(15) 0.5410(13) 0.3940(7) 0.049(3) Uani 1 1 d . . .
H12 H 0.2880 0.6203 0.3747 0.059 Uiso 1 1 calc R . .
C13 C 0.6708(13) 0.7477(9) 0.4535(6) 0.0314(18) Uani 1 1 d . . .
H13 H 0.6036 0.7756 0.4083 0.038 Uiso 1 1 calc R . .
C14 C 0.7179(8) 0.6353(7) 0.4073(4) 0.0311(12) Uani 1 1 d . . .
H14A H 0.8235 0.6314 0.4380 0.037 Uiso 1 1 calc R . .
H14B H 0.6344 0.5517 0.4065 0.037 Uiso 1 1 calc R . .
C15 C 0.7318(13) 0.6523(10) 0.3202(6) 0.033(2) Uani 1 1 d . . .
C16 C 0.8449(17) 0.5872(11) 0.2044(7) 0.063(3) Uani 1 1 d . . .
H16A H 0.7538 0.5233 0.1649 0.095 Uiso 1 1 calc R . .
H16B H 0.9466 0.5674 0.1998 0.095 Uiso 1 1 calc R . .
H16C H 0.8530 0.6747 0.1918 0.095 Uiso 1 1 calc R . .
C17 C 0.8178(13) 0.8684(11) 0.4875(7) 0.035(2) Uani 1 1 d . . .
H17A H 0.8219 0.9273 0.4458 0.042 Uiso 1 1 calc R . .
H17B H 0.9172 0.8402 0.4909 0.042 Uiso 1 1 calc R . .
C18 C 0.8291(11) 0.9491(10) 0.5722(7) 0.032(2) Uani 1 1 d . . .
H18A H 0.9291 1.0246 0.5838 0.038 Uiso 1 1 calc R . .
H18B H 0.8402 0.8950 0.6160 0.038 Uiso 1 1 calc R . .
C19 C 0.6698(12) 1.1266(10) 0.5082(7) 0.032(2) Uani 1 1 d . . .
C20 C 0.5759(16) 1.0960(14) 0.4291(8) 0.047(3) Uani 1 1 d . . .
H20 H 0.4895 1.0166 0.4132 0.056 Uiso 1 1 calc R . .
C21 C 0.608(2) 1.1827(16) 0.3706(8) 0.059(4) Uani 1 1 d . . .
H21 H 0.5408 1.1618 0.3165 0.071 Uiso 1 1 calc R . .
C22 C 0.734(2) 1.2959(14) 0.3925(9) 0.058(3) Uani 1 1 d . . .
H22 H 0.7578 1.3512 0.3525 0.070 Uiso 1 1 calc R . .
C23 C 0.8274(19) 1.3303(12) 0.4707(10) 0.058(4) Uani 1 1 d . . .
H23 H 0.9124 1.4106 0.4853 0.069 Uiso 1 1 calc R . .
C24 C 0.7989(15) 1.2474(12) 0.5308(8) 0.045(3) Uani 1 1 d . . .
H24 H 0.8644 1.2715 0.5853 0.054 Uiso 1 1 calc R . .
C25 C 0.6935(12) 1.0931(9) 0.6869(6) 0.030(2) Uani 1 1 d . . .
C26 C 0.6587(15) 1.2099(11) 0.7084(8) 0.041(3) Uani 1 1 d . . .
H26 H 0.6191 1.2520 0.6659 0.049 Uiso 1 1 calc R . .
C27 C 0.6817(16) 1.2644(12) 0.7915(8) 0.045(3) Uani 1 1 d . . .
H27 H 0.6555 1.3426 0.8053 0.054 Uiso 1 1 calc R . .
C28 C 0.7434(16) 1.2052(13) 0.8553(7) 0.045(3) Uani 1 1 d . . .
H28 H 0.7621 1.2441 0.9120 0.054 Uiso 1 1 calc R . .
C29 C 0.7757(19) 1.0927(15) 0.8351(8) 0.052(3) Uani 1 1 d . . .
H29 H 0.8154 1.0518 0.8783 0.062 Uiso 1 1 calc R . .
C30 C 0.7518(16) 1.0326(12) 0.7504(7) 0.047(3) Uani 1 1 d . . .
H30 H 0.7751 0.9529 0.7375 0.056 Uiso 1 1 calc R . .
C31 C 0.3359(11) 0.8584(9) -0.0738(6) 0.0252(18) Uani 1 1 d . . .
C32 C 0.4181(15) 0.8623(13) -0.1410(6) 0.045(3) Uani 1 1 d . . .
H32 H 0.5211 0.8468 -0.1340 0.054 Uiso 1 1 calc R . .
C33 C 0.3511(15) 0.8885(14) -0.2179(7) 0.047(3) Uani 1 1 d . . .
H33 H 0.4089 0.8912 -0.2621 0.056 Uiso 1 1 calc R . .
C34 C 0.1992(14) 0.9106(12) -0.2292(7) 0.040(2) Uani 1 1 d . . .
H34 H 0.1523 0.9279 -0.2811 0.049 Uiso 1 1 calc R . .
C35 C 0.1174(17) 0.9068(17) -0.1627(9) 0.058(3) Uani 1 1 d . . .
H35 H 0.0130 0.9198 -0.1700 0.070 Uiso 1 1 calc R . .
C36 C 0.1871(16) 0.8841(14) -0.0857(7) 0.050(3) Uani 1 1 d . . .
H36 H 0.1317 0.8864 -0.0407 0.060 Uiso 1 1 calc R . .
C37 C 0.5812(12) 0.9810(10) 0.0775(6) 0.0284(19) Uani 1 1 d . . .
C38 C 0.5708(16) 1.1000(11) 0.0541(7) 0.040(2) Uani 1 1 d . . .
H38 H 0.4880 1.0993 0.0088 0.047 Uiso 1 1 calc R . .
C39 C 0.6785(18) 1.2172(12) 0.0957(9) 0.052(3) Uani 1 1 d . . .
H39 H 0.6741 1.2963 0.0774 0.063 Uiso 1 1 calc R . .
C40 C 0.7944(19) 1.2181(13) 0.1653(9) 0.063(4) Uani 1 1 d . . .
H40 H 0.8630 1.2992 0.1964 0.076 Uiso 1 1 calc R . .
C41 C 0.8124(17) 1.1039(15) 0.1903(9) 0.064(3) Uani 1 1 d . . .
H41 H 0.8953 1.1054 0.2358 0.076 Uiso 1 1 calc R . .
C42 C 0.7028(15) 0.9864(12) 0.1455(7) 0.046(2) Uani 1 1 d . . .
H42 H 0.7116 0.9072 0.1621 0.055 Uiso 1 1 calc R . .
C43 C 0.2789(12) 0.7941(10) 0.0887(6) 0.0323(19) Uani 1 1 d . . .
H43 H 0.2179 0.8583 0.0781 0.039 Uiso 1 1 calc R . .
C44 C 0.3500(11) 0.8246(9) 0.1828(4) 0.0488(18) Uani 1 1 d . . .
H44A H 0.4515 0.8987 0.1945 0.059 Uiso 1 1 calc R . .
H44B H 0.3778 0.7482 0.2009 0.059 Uiso 1 1 calc R . .
C45 C 0.2225(17) 0.8602(15) 0.2342(8) 0.057(4) Uani 1 1 d . . .
C46 C 0.1308(13) 0.8744(15) 0.3573(6) 0.074(4) Uani 1 1 d . . .
H46A H 0.1996 0.9267 0.4097 0.111 Uiso 1 1 calc R . .
H46B H 0.0481 0.8007 0.3694 0.111 Uiso 1 1 calc R . .
H46C H 0.0769 0.9284 0.3268 0.111 Uiso 1 1 calc R . .
C47 C 0.1452(15) 0.6557(12) 0.0655(7) 0.040(3) Uani 1 1 d . . .
H47A H 0.1696 0.6031 0.1083 0.048 Uiso 1 1 calc R . .
H47B H 0.0381 0.6684 0.0693 0.048 Uiso 1 1 calc R . .
C48 C 0.1272(12) 0.5742(10) -0.0217(7) 0.032(2) Uani 1 1 d . . .
H48A H 0.1157 0.6289 -0.0650 0.038 Uiso 1 1 calc R . .
H48B H 0.0266 0.4994 -0.0326 0.038 Uiso 1 1 calc R . .
C49 C 0.2798(14) 0.3885(10) 0.0393(7) 0.036(2) Uani 1 1 d . . .
C50 C 0.3820(17) 0.4226(12) 0.1192(7) 0.045(3) Uani 1 1 d . . .
H50 H 0.4633 0.5049 0.1347 0.054 Uiso 1 1 calc R . .
C51 C 0.3632(18) 0.3353(16) 0.1754(10) 0.060(4) Uani 1 1 d . . .
H51 H 0.4303 0.3572 0.2295 0.072 Uiso 1 1 calc R . .
C52 C 0.244(2) 0.2154(16) 0.1503(10) 0.066(4) Uani 1 1 d . . .
H52 H 0.2315 0.1547 0.1877 0.079 Uiso 1 1 calc R . .
C53 C 0.140(2) 0.1809(13) 0.0712(10) 0.070(4) Uani 1 1 d . . .
H53 H 0.0606 0.0980 0.0556 0.084 Uiso 1 1 calc R . .
C54 C 0.1567(18) 0.2701(12) 0.0158(9) 0.052(3) Uani 1 1 d . . .
H54 H 0.0849 0.2502 -0.0369 0.062 Uiso 1 1 calc R . .
C55 C 0.2582(13) 0.4305(10) -0.1378(6) 0.031(2) Uani 1 1 d . . .
C56 C 0.2949(15) 0.3151(12) -0.1579(7) 0.041(2) Uani 1 1 d . . .
H56 H 0.3394 0.2760 -0.1150 0.049 Uiso 1 1 calc R . .
C57 C 0.2658(17) 0.2557(13) -0.2425(8) 0.046(3) Uani 1 1 d . . .
H57 H 0.2799 0.1727 -0.2565 0.055 Uiso 1 1 calc R . .
C58 C 0.2165(16) 0.3210(14) -0.3043(8) 0.050(3) Uani 1 1 d . . .
H58 H 0.2078 0.2858 -0.3608 0.060 Uiso 1 1 calc R . .
C59 C 0.1789(17) 0.4377(14) -0.2861(8) 0.044(3) Uani 1 1 d . . .
H59 H 0.1395 0.4790 -0.3292 0.053 Uiso 1 1 calc R . .
C60 C 0.2013(15) 0.4905(12) -0.2029(6) 0.039(2) Uani 1 1 d . . .
H60 H 0.1776 0.5698 -0.1892 0.047 Uiso 1 1 calc R . .
Cl1 Cl 0.1536(3) 0.6925(3) 0.55089(19) 0.0368(6) Uani 1 1 d . . .
Cl2 Cl 0.2887(4) 1.0260(3) 0.57415(18) 0.0345(6) Uani 1 1 d . . .
Cl3 Cl 0.6660(4) 0.4896(3) -0.02513(17) 0.0350(6) Uani 1 1 d . . .
Cl4 Cl 0.8083(4) 0.8177(3) -0.0026(2) 0.0472(8) Uani 1 1 d . . .
O1 O 0.6699(10) 0.7210(8) 0.2791(4) 0.069(2) Uani 1 1 d . . .
O2 O 0.8177(8) 0.5816(5) 0.2863(3) 0.0456(13) Uani 1 1 d . . .
O3 O 0.1294(15) 0.9207(9) 0.2071(6) 0.104(3) Uani 1 1 d . . .
O4 O 0.2347(9) 0.8245(8) 0.3053(4) 0.0671(19) Uani 1 1 d . . .
P1 P 0.5285(3) 0.6963(3) 0.52657(15) 0.0212(5) Uani 1 1 d . . .
P2 P 0.6532(3) 1.0090(3) 0.57919(17) 0.0263(5) Uani 1 1 d . . .
P3 P 0.3032(3) 0.5133(3) -0.02912(17) 0.0271(5) Uani 1 1 d . . .
P4 P 0.4372(3) 0.8244(3) 0.02366(16) 0.0234(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
P2 Pd1 P1 90.24(10) . . ?
P2 Pd1 Cl2 87.28(10) . . ?
P1 Pd1 Cl2 175.25(10) . . ?
P2 Pd1 Cl1 171.14(11) . . ?
P1 Pd1 Cl1 91.31(10) . . ?
Cl2 Pd1 Cl1 91.76(10) . . ?
P4 Pd2 P3 90.19(10) . . ?
P4 Pd2 Cl4 92.26(11) . . ?
P3 Pd2 Cl4 169.32(11) . . ?
P4 Pd2 Cl3 176.66(11) . . ?
P3 Pd2 Cl3 87.71(11) . . ?
Cl4 Pd2 Cl3 90.27(11) . . ?
C6 C1 C2 120.5(9) . . ?
C6 C1 P1 122.2(7) . . ?
C2 C1 P1 117.2(7) . . ?
C1 C2 C3 118.4(10) . . ?
C4 C3 C2 121.0(11) . . ?
C3 C4 C5 120.9(10) . . ?
C4 C5 C6 120.1(11) . . ?
C1 C6 C5 119.1(10) . . ?
C12 C7 C8 121.8(10) . . ?
C12 C7 P1 118.0(9) . . ?
C8 C7 P1 120.1(7) . . ?
C7 C8 C9 117.8(11) . . ?
C10 C9 C8 120.5(14) . . ?
C9 C10 C11 120.0(14) . . ?
C12 C11 C10 122.1(13) . . ?
C11 C12 C7 117.8(13) . . ?
C17 C13 C14 112.4(8) . . ?
C17 C13 P1 116.2(7) . . ?
C14 C13 P1 114.6(6) . . ?
C15 C14 C13 112.0(6) . . ?
O1 C15 O2 120.4(8) . . ?
O1 C15 C14 125.7(7) . . ?
O2 C15 C14 113.8(7) . . ?
C13 C17 C18 119.3(8) . . ?
C17 C18 P2 114.2(7) . . ?
C20 C19 C24 118.7(11) . . ?
C20 C19 P2 121.6(9) . . ?
C24 C19 P2 119.1(9) . . ?
C19 C20 C21 120.4(13) . . ?
C22 C21 C20 120.1(13) . . ?
C23 C22 C21 120.9(13) . . ?
C22 C23 C24 120.7(14) . . ?
C23 C24 C19 119.2(13) . . ?
C30 C25 C26 118.9(10) . . ?
C30 C25 P2 117.9(8) . . ?
C26 C25 P2 123.1(9) . . ?
C27 C26 C25 120.4(11) . . ?
C26 C27 C28 120.7(10) . . ?
C29 C28 C27 119.1(11) . . ?
C28 C29 C30 122.0(12) . . ?
C25 C30 C29 118.9(11) . . ?
C36 C31 C32 117.7(9) . . ?
C36 C31 P4 125.0(8) . . ?
C32 C31 P4 117.3(7) . . ?
C33 C32 C31 121.6(10) . . ?
C34 C33 C32 119.8(11) . . ?
C33 C34 C35 118.7(10) . . ?
C36 C35 C34 121.0(11) . . ?
C31 C36 C35 121.1(10) . . ?
C42 C37 C38 117.5(10) . . ?
C42 C37 P4 120.6(9) . . ?
C38 C37 P4 121.8(8) . . ?
C39 C38 C37 121.3(11) . . ?
C38 C39 C40 119.1(12) . . ?
C41 C40 C39 122.1(12) . . ?
C40 C41 C42 117.1(12) . . ?
C37 C42 C41 122.8(12) . . ?
C44 C43 C47 110.2(8) . . ?
C44 C43 P4 113.5(7) . . ?
C47 C43 P4 116.0(7) . . ?
C43 C44 C45 111.1(8) . . ?
O3 C45 O4 125.5(13) . . ?
O3 C45 C44 121.9(11) . . ?
O4 C45 C44 112.5(12) . . ?
C48 C47 C43 117.6(9) . . ?
C47 C48 P3 112.4(7) . . ?
C54 C49 C50 121.3(11) . . ?
C54 C49 P3 121.1(9) . . ?
C50 C49 P3 117.3(8) . . ?
C51 C50 C49 119.9(12) . . ?
C52 C51 C50 118.3(13) . . ?
C51 C52 C53 122.2(13) . . ?
C54 C53 C52 119.3(14) . . ?
C49 C54 C53 118.9(13) . . ?
C56 C55 C60 118.8(9) . . ?
C56 C55 P3 120.9(8) . . ?
C60 C55 P3 120.0(8) . . ?
C55 C56 C57 120.0(10) . . ?
C58 C57 C56 118.9(11) . . ?
C57 C58 C59 122.2(11) . . ?
C60 C59 C58 117.5(11) . . ?
C59 C60 C55 122.3(10) . . ?
C15 O2 C16 121.5(8) . . ?
C45 O4 C46 111.8(10) . . ?
C1 P1 C7 105.5(5) . . ?
C1 P1 C13 112.3(4) . . ?
C7 P1 C13 103.0(5) . . ?
C1 P1 Pd1 112.1(3) . . ?
C7 P1 Pd1 114.3(3) . . ?
C13 P1 Pd1 109.4(3) . . ?
C19 P2 C25 110.0(5) . . ?
C19 P2 C18 103.3(5) . . ?
C25 P2 C18 104.9(5) . . ?
C19 P2 Pd1 114.5(4) . . ?
C25 P2 Pd1 108.1(3) . . ?
C18 P2 Pd1 115.6(4) . . ?
C55 P3 C48 103.8(5) . . ?
C55 P3 C49 108.4(5) . . ?
C48 P3 C49 103.0(5) . . ?
C55 P3 Pd2 108.9(4) . . ?
C48 P3 Pd2 116.7(4) . . ?
C49 P3 Pd2 115.2(4) . . ?
C31 P4 C37 105.5(5) . . ?
C31 P4 C43 105.0(4) . . ?
C37 P4 C43 102.9(4) . . ?
C31 P4 Pd2 110.4(3) . . ?
C37 P4 Pd2 114.7(3) . . ?
C43 P4 Pd2 117.2(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 P2 2.249(3) . ?
Pd1 P1 2.258(2) . ?
Pd1 Cl2 2.366(3) . ?
Pd1 Cl1 2.367(3) . ?
Pd2 P4 2.241(3) . ?
Pd2 P3 2.248(3) . ?
Pd2 Cl4 2.355(3) . ?
Pd2 Cl3 2.368(2) . ?
C1 C6 1.374(12) . ?
C1 C2 1.381(13) . ?
C1 P1 1.810(8) . ?
C2 C3 1.417(15) . ?
C3 C4 1.337(16) . ?
C4 C5 1.354(17) . ?
C5 C6 1.414(15) . ?
C7 C12 1.381(14) . ?
C7 C8 1.387(15) . ?
C7 P1 1.823(10) . ?
C8 C9 1.426(17) . ?
C9 C10 1.33(2) . ?
C10 C11 1.39(2) . ?
C11 C12 1.372(19) . ?
C13 C17 1.514(14) . ?
C13 C14 1.533(10) . ?
C13 P1 1.866(9) . ?
C14 C15 1.475(11) . ?
C15 O1 1.222(11) . ?
C15 O2 1.333(10) . ?
C16 O2 1.400(11) . ?
C17 C18 1.521(14) . ?
C18 P2 1.818(9) . ?
C19 C20 1.362(17) . ?
C19 C24 1.419(16) . ?
C19 P2 1.802(11) . ?
C20 C21 1.414(17) . ?
C21 C22 1.36(2) . ?
C22 C23 1.35(2) . ?
C23 C24 1.404(17) . ?
C25 C30 1.385(16) . ?
C25 C26 1.389(14) . ?
C25 P2 1.816(10) . ?
C26 C27 1.376(16) . ?
C27 C28 1.391(18) . ?
C28 C29 1.331(19) . ?
C29 C30 1.415(16) . ?
C31 C36 1.374(15) . ?
C31 C32 1.398(13) . ?
C31 P4 1.814(9) . ?
C32 C33 1.388(15) . ?
C33 C34 1.381(15) . ?
C34 C35 1.387(17) . ?
C35 C36 1.382(17) . ?
C37 C42 1.384(14) . ?
C37 C38 1.396(14) . ?
C37 P4 1.815(11) . ?
C38 C39 1.365(17) . ?
C39 C40 1.38(2) . ?
C40 C41 1.38(2) . ?
C41 C42 1.387(18) . ?
C43 C44 1.522(12) . ?
C43 C47 1.569(15) . ?
C43 P4 1.843(10) . ?
C44 C45 1.585(16) . ?
C45 O3 1.226(17) . ?
C45 O4 1.263(14) . ?
C46 O4 1.489(13) . ?
C47 C48 1.544(16) . ?
C48 P3 1.826(10) . ?
C49 C54 1.377(16) . ?
C49 C50 1.399(16) . ?
C49 P3 1.830(11) . ?
C50 C51 1.382(17) . ?
C51 C52 1.38(2) . ?
C52 C53 1.39(2) . ?
C53 C54 1.385(19) . ?
C55 C56 1.378(15) . ?
C55 C60 1.396(13) . ?
C55 P3 1.822(10) . ?
C56 C57 1.408(16) . ?
C57 C58 1.370(18) . ?
C58 C59 1.390(18) . ?
C59 C60 1.374(15) . ?
