#------------------------------------------------------------------------------
#$Date: 2018-09-26 06:29:44 +0300 (Wed, 26 Sep 2018) $
#$Revision: 211175 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/26/8102665.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_8102665
loop_
_publ_author_name
'Chen Xu'
'Zhi-Qiang Wang'
'Ya-Peng Zhang'
'Ting Liang'
'Yan Xu'
_publ_section_title
;
 Crystal structure of
 di-m-iodido-bis[(triphenylphosphine)iodidopalladium(II)],
 Pd2I4(PC18H15)2
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              273
_journal_volume                  225
_journal_year                    2010
_chemical_formula_sum            'C36 H30 I4 P2 Pd2'
_chemical_formula_weight         1244.94
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 118.0050(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.1033(12)
_cell_length_b                   15.8597(11)
_cell_length_c                   16.9778(12)
_cell_measurement_reflns_used    7655
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.80
_cell_measurement_theta_min      2.40
_cell_volume                     3828.3(5)
_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      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0356
_diffrn_reflns_av_sigmaI/netI    0.0319
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            28169
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.40
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.273
_exptl_absorpt_correction_T_max  0.5480
_exptl_absorpt_correction_T_min  0.2551
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.160
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2320
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.481
_refine_diff_density_min         -1.145
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         7139
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0271P)²+13.9343P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0735
_refine_ls_wR_factor_ref         0.0830
_reflns_number_gt                5443
_reflns_number_total             7139
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2917.cff
_cod_data_source_block           b
_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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               8102665
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.19832(3) 0.51420(3) 0.26981(3) 0.03568(11) Uani 1 1 d . . .
Pd2 Pd 0.33164(3) 0.30068(3) 0.30585(3) 0.04597(13) Uani 1 1 d . . .
I1 I 0.35567(3) 0.45648(2) 0.27430(3) 0.05149(12) Uani 1 1 d . . .
I2 I 0.17654(3) 0.35922(2) 0.30580(3) 0.04796(12) Uani 1 1 d . . .
I3 I 0.22340(3) 0.65878(3) 0.21234(3) 0.05891(13) Uani 1 1 d . . .
I4 I 0.29297(4) 0.15044(3) 0.33997(5) 0.0885(2) Uani 1 1 d . . .
P1 P 0.06441(10) 0.56311(9) 0.26638(10) 0.0342(3) Uani 1 1 d . . .
P2 P 0.45975(12) 0.24981(10) 0.29816(12) 0.0485(4) Uani 1 1 d . . .
C1 C 0.0061(4) 0.4868(3) 0.3045(4) 0.0401(13) Uani 1 1 d . . .
C2 C -0.0731(5) 0.4422(5) 0.2493(5) 0.066(2) Uani 1 1 d . . .
H2 H -0.1017 0.4514 0.1881 0.080 Uiso 1 1 calc R . .
C3 C -0.1104(6) 0.3843(5) 0.2837(6) 0.087(3) Uani 1 1 d . . .
H3 H -0.1636 0.3539 0.2454 0.105 Uiso 1 1 calc R . .
C4 C -0.0708(7) 0.3705(5) 0.3728(7) 0.080(2) Uani 1 1 d . . .
H4 H -0.0970 0.3312 0.3954 0.096 Uiso 1 1 calc R . .
C5 C 0.0064(6) 0.4137(4) 0.4287(5) 0.066(2) Uani 1 1 d . . .
H5 H 0.0333 0.4044 0.4898 0.079 Uiso 1 1 calc R . .
C6 C 0.0459(5) 0.4718(4) 0.3957(5) 0.0572(17) Uani 1 1 d . . .
H6 H 0.0996 0.5011 0.4347 0.069 Uiso 1 1 calc R . .
C7 C -0.0206(4) 0.5894(3) 0.1522(4) 0.0368(12) Uani 1 1 d . . .
C8 C -0.0436(5) 0.5292(4) 0.0872(4) 0.0577(17) Uani 1 1 d . . .
H8 H -0.0151 0.4765 0.1016 0.069 Uiso 1 1 calc R . .
C9 C -0.1096(6) 0.5471(5) -0.0001(5) 0.069(2) Uani 1 1 d . . .
H9 H -0.1264 0.5055 -0.0436 0.083 Uiso 1 1 calc R . .
C10 C -0.1500(5) 0.6244(5) -0.0228(5) 0.065(2) Uani 1 1 d . . .
H10 H -0.1952 0.6357 -0.0812 0.078 Uiso 1 1 calc R . .
C11 C -0.1232(5) 0.6855(5) 0.0413(4) 0.0632(19) Uani 1 1 d . . .
H11 H -0.1488 0.7392 0.0259 0.076 Uiso 1 1 calc R . .
C12 C -0.0591(4) 0.6685(4) 0.1279(4) 0.0480(15) Uani 1 1 d . . .
H12 H -0.0415 0.7109 0.1707 0.058 Uiso 1 1 calc R . .
C13 C 0.0743(4) 0.6526(4) 0.3375(4) 0.0409(13) Uani 1 1 d . . .
C14 C -0.0053(5) 0.6786(4) 0.3427(4) 0.0521(16) Uani 1 1 d . . .
H14 H -0.0627 0.6525 0.3074 0.063 Uiso 1 1 calc R . .
C15 C -0.0003(7) 0.7421(5) 0.3991(5) 0.073(2) Uani 1 1 d . . .
H15 H -0.0545 0.7592 0.4013 0.087 Uiso 1 1 calc R . .
C16 C 0.0829(7) 0.7808(5) 0.4520(5) 0.074(2) Uani 1 1 d . . .
H16 H 0.0853 0.8239 0.4901 0.089 Uiso 1 1 calc R . .
C17 C 0.1609(7) 0.7571(5) 0.4495(5) 0.078(2) Uani 1 1 d . . .
H17 H 0.2175 0.7837 0.4863 0.094 Uiso 1 1 calc R . .
C18 C 0.1588(5) 0.6918(4) 0.3913(4) 0.0588(18) Uani 1 1 d . . .
H18 H 0.2135 0.6757 0.3895 0.071 Uiso 1 1 calc R . .
C19 C 0.5419(5) 0.3300(4) 0.2978(5) 0.0596(18) Uani 1 1 d . . .
C20 C 0.5203(6) 0.3761(5) 0.2205(6) 0.075(2) Uani 1 1 d . . .
H20 H 0.4644 0.3659 0.1688 0.090 Uiso 1 1 calc R . .
C21 C 0.5817(8) 0.4368(5) 0.2209(8) 0.093(3) Uani 1 1 d . . .
H21 H 0.5666 0.4686 0.1699 0.112 Uiso 1 1 calc R . .
C22 C 0.6645(9) 0.4500(7) 0.2961(10) 0.119(4) Uani 1 1 d . . .
H22 H 0.7072 0.4890 0.2953 0.142 Uiso 1 1 calc R . .
C23 C 0.6846(8) 0.4085(7) 0.3695(9) 0.130(4) Uani 1 1 d . . .
H23 H 0.7401 0.4204 0.4210 0.155 Uiso 1 1 calc R . .
C24 C 0.6241(6) 0.3464(5) 0.3718(7) 0.092(3) Uani 1 1 d . . .
H24 H 0.6403 0.3164 0.4240 0.111 Uiso 1 1 calc R . .
C25 C 0.5327(4) 0.1820(4) 0.3909(4) 0.0478(15) Uani 1 1 d . . .
C26 C 0.5492(6) 0.2065(5) 0.4757(5) 0.074(2) Uani 1 1 d . . .
H26 H 0.5199 0.2542 0.4828 0.089 Uiso 1 1 calc R . .
C27 C 0.6095(7) 0.1596(6) 0.5497(6) 0.086(3) Uani 1 1 d . . .
H27 H 0.6220 0.1774 0.6064 0.104 Uiso 1 1 calc R . .
C28 C 0.6512(6) 0.0871(6) 0.5401(6) 0.083(3) Uani 1 1 d . . .
H28 H 0.6895 0.0549 0.5899 0.100 Uiso 1 1 calc R . .
C29 C 0.6358(6) 0.0629(5) 0.4577(5) 0.073(2) Uani 1 1 d . . .
H29 H 0.6647 0.0146 0.4511 0.088 Uiso 1 1 calc R . .
C30 C 0.5767(5) 0.1104(4) 0.3824(5) 0.0593(18) Uani 1 1 d . . .
H30 H 0.5669 0.0936 0.3262 0.071 Uiso 1 1 calc R . .
C31 C 0.4280(5) 0.1940(4) 0.1957(4) 0.0571(17) Uani 1 1 d . . .
C32 C 0.4971(6) 0.1724(5) 0.1714(5) 0.070(2) Uani 1 1 d . . .
H32 H 0.5592 0.1885 0.2076 0.084 Uiso 1 1 calc R . .
C33 C 0.4741(8) 0.1277(6) 0.0944(6) 0.091(3) Uani 1 1 d . . .
H33 H 0.5208 0.1130 0.0793 0.109 Uiso 1 1 calc R . .
C34 C 0.3836(9) 0.1049(7) 0.0405(7) 0.111(4) Uani 1 1 d . . .
H34 H 0.3685 0.0740 -0.0110 0.133 Uiso 1 1 calc R . .
C35 C 0.3137(8) 0.1275(7) 0.0620(6) 0.113(4) Uani 1 1 d . . .
H35 H 0.2515 0.1132 0.0237 0.136 Uiso 1 1 calc R . .
C36 C 0.3353(6) 0.1711(5) 0.1394(5) 0.080(2) Uani 1 1 d . . .
H36 H 0.2880 0.1852 0.1539 0.096 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'
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'
I I -0.4742 1.8119 '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 I3 90.12(4) . . ?
P1 Pd1 I2 95.62(4) . . ?
I3 Pd1 I2 170.59(2) . . ?
P1 Pd1 I1 179.82(5) . . ?
I3 Pd1 I1 90.030(18) . . ?
I2 Pd1 I1 84.241(17) . . ?
P2 Pd2 I4 90.36(5) . . ?
P2 Pd2 I1 95.66(5) . . ?
I4 Pd2 I1 173.96(2) . . ?
P2 Pd2 I2 177.05(5) . . ?
I4 Pd2 I2 89.82(2) . . ?
I1 Pd2 I2 84.189(17) . . ?
Pd2 I1 Pd1 95.807(18) . . ?
Pd1 I2 Pd2 95.725(18) . . ?
C7 P1 C13 108.4(3) . . ?
C7 P1 C1 105.9(3) . . ?
C13 P1 C1 100.4(3) . . ?
C7 P1 Pd1 109.69(18) . . ?
C13 P1 Pd1 117.6(2) . . ?
C1 P1 Pd1 113.93(18) . . ?
C31 P2 C25 108.8(3) . . ?
C31 P2 C19 102.5(3) . . ?
C25 P2 C19 103.9(3) . . ?
C31 P2 Pd2 112.1(2) . . ?
C25 P2 Pd2 113.3(2) . . ?
C19 P2 Pd2 115.4(2) . . ?
C2 C1 C6 117.9(6) . . ?
C2 C1 P1 124.5(5) . . ?
C6 C1 P1 117.5(5) . . ?
C3 C2 C1 120.5(7) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C4 C3 C2 120.9(8) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C3 C4 C5 120.0(7) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 120.3(7) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C5 C6 C1 120.4(7) . . ?
C5 C6 H6 119.8 . . ?
C1 C6 H6 119.8 . . ?
C12 C7 C8 118.7(5) . . ?
C12 C7 P1 122.5(4) . . ?
C8 C7 P1 118.8(5) . . ?
C7 C8 C9 119.9(6) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C10 C9 C8 120.9(7) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 C11 118.9(7) . . ?
C9 C10 H10 120.5 . . ?
C11 C10 H10 120.5 . . ?
C10 C11 C12 120.9(7) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C7 C12 C11 120.6(6) . . ?
C7 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C18 C13 C14 118.5(6) . . ?
C18 C13 P1 122.8(5) . . ?
C14 C13 P1 118.6(5) . . ?
C15 C14 C13 120.8(7) . . ?
C15 C14 H14 119.6 . . ?
C13 C14 H14 119.6 . . ?
C14 C15 C16 120.7(8) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C17 C16 C15 120.3(7) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 120.9(7) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C13 C18 C17 118.8(7) . . ?
C13 C18 H18 120.6 . . ?
C17 C18 H18 120.6 . . ?
C24 C19 C20 118.3(8) . . ?
C24 C19 P2 121.5(6) . . ?
C20 C19 P2 120.3(6) . . ?
C21 C20 C19 120.0(9) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C22 C21 C20 119.7(10) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C23 C22 C21 120.8(10) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C22 C23 C24 121.1(11) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C19 C24 C23 120.0(9) . . ?
C19 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C26 C25 C30 118.7(6) . . ?
C26 C25 P2 117.7(5) . . ?
C30 C25 P2 123.5(5) . . ?
C25 C26 C27 120.0(7) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C28 C27 C26 120.8(8) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C29 C28 C27 119.6(7) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C28 C29 C30 120.4(7) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C25 C30 C29 120.5(7) . . ?
C25 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C36 C31 C32 118.6(7) . . ?
C36 C31 P2 121.3(6) . . ?
C32 C31 P2 120.1(6) . . ?
C33 C32 C31 120.7(8) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C34 C33 C32 120.1(9) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C33 C34 C35 120.2(10) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C36 C35 C34 120.6(10) . . ?
C36 C35 H35 119.7 . . ?
C34 C35 H35 119.7 . . ?
C35 C36 C31 119.7(9) . . ?
C35 C36 H36 120.2 . . ?
C31 C36 H36 120.2 . . ?
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 2.2665(14) . ?
Pd1 I3 2.5967(6) . ?
Pd1 I2 2.5959(6) . ?
Pd1 I1 2.6613(6) . ?
Pd2 P2 2.2754(16) . ?
Pd2 I4 2.5960(7) . ?
Pd2 I1 2.5956(6) . ?
Pd2 I2 2.6643(6) . ?
P1 C7 1.820(6) . ?
P1 C13 1.821(6) . ?
P1 C1 1.827(6) . ?
P2 C31 1.799(7) . ?
P2 C25 1.811(6) . ?
P2 C19 1.836(7) . ?
C1 C2 1.372(9) . ?
C1 C6 1.389(8) . ?
C2 C3 1.369(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.356(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.344(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.379(9) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.374(8) . ?
C7 C8 1.373(8) . ?
C8 C9 1.388(9) . ?
C8 H8 0.9300 . ?
C9 C10 1.356(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.367(10) . ?
C10 H10 0.9300 . ?
C11 C12 1.370(9) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C18 1.381(9) . ?
C13 C14 1.388(8) . ?
C14 C15 1.366(9) . ?
C14 H14 0.9300 . ?
C15 C16 1.359(11) . ?
C15 H15 0.9300 . ?
C16 C17 1.330(12) . ?
C16 H16 0.9300 . ?
C17 C18 1.421(10) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.355(11) . ?
C19 C20 1.396(10) . ?
C20 C21 1.378(12) . ?
C20 H20 0.9300 . ?
C21 C22 1.362(15) . ?
C21 H21 0.9300 . ?
C22 C23 1.308(15) . ?
C22 H22 0.9300 . ?
C23 C24 1.399(12) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.390(9) . ?
C25 C30 1.381(9) . ?
C26 C27 1.388(11) . ?
C26 H26 0.9300 . ?
C27 C28 1.380(12) . ?
C27 H27 0.9300 . ?
C28 C29 1.357(11) . ?
C28 H28 0.9300 . ?
C29 C30 1.402(10) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C36 1.391(10) . ?
C31 C32 1.400(10) . ?
C32 C33 1.376(11) . ?
C32 H32 0.9300 . ?
C33 C34 1.357(14) . ?
C33 H33 0.9300 . ?
C34 C35 1.383(14) . ?
C34 H34 0.9300 . ?
C35 C36 1.377(12) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
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
P2 Pd2 I1 Pd1 175.57(5) . . . . ?
I4 Pd2 I1 Pd1 -9.2(3) . . . . ?
I2 Pd2 I1 Pd1 -1.47(2) . . . . ?
P1 Pd1 I1 Pd2 44(20) . . . . ?
I3 Pd1 I1 Pd2 -171.02(2) . . . . ?
I2 Pd1 I1 Pd2 1.50(2) . . . . ?
P1 Pd1 I2 Pd2 178.66(4) . . . . ?
I3 Pd1 I2 Pd2 51.26(14) . . . . ?
I1 Pd1 I2 Pd2 -1.47(2) . . . . ?
P2 Pd2 I2 Pd1 -85.8(9) . . . . ?
I4 Pd2 I2 Pd1 -179.31(2) . . . . ?
I1 Pd2 I2 Pd1 1.50(2) . . . . ?
I3 Pd1 P1 C7 62.74(19) . . . . ?
I2 Pd1 P1 C7 -109.79(19) . . . . ?
I1 Pd1 P1 C7 -152(100) . . . . ?
I3 Pd1 P1 C13 -61.7(2) . . . . ?
I2 Pd1 P1 C13 125.8(2) . . . . ?
I1 Pd1 P1 C13 83(20) . . . . ?
I3 Pd1 P1 C1 -178.7(2) . . . . ?
I2 Pd1 P1 C1 8.7(2) . . . . ?
I1 Pd1 P1 C1 -34(20) . . . . ?
I4 Pd2 P2 C31 75.8(2) . . . . ?
I1 Pd2 P2 C31 -104.7(2) . . . . ?
I2 Pd2 P2 C31 -17.8(10) . . . . ?
I4 Pd2 P2 C25 -47.9(2) . . . . ?
I1 Pd2 P2 C25 131.6(2) . . . . ?
I2 Pd2 P2 C25 -141.4(9) . . . . ?
I4 Pd2 P2 C19 -167.4(3) . . . . ?
I1 Pd2 P2 C19 12.1(3) . . . . ?
I2 Pd2 P2 C19 99.0(10) . . . . ?
C7 P1 C1 C2 16.9(6) . . . . ?
C13 P1 C1 C2 129.6(6) . . . . ?
Pd1 P1 C1 C2 -103.7(6) . . . . ?
C7 P1 C1 C6 -164.5(5) . . . . ?
C13 P1 C1 C6 -51.8(5) . . . . ?
Pd1 P1 C1 C6 74.9(5) . . . . ?
C6 C1 C2 C3 -0.7(11) . . . . ?
P1 C1 C2 C3 177.9(6) . . . . ?
C1 C2 C3 C4 0.9(13) . . . . ?
C2 C3 C4 C5 -0.4(14) . . . . ?
C3 C4 C5 C6 -0.3(13) . . . . ?
C4 C5 C6 C1 0.5(11) . . . . ?
C2 C1 C6 C5 0.0(10) . . . . ?
P1 C1 C6 C5 -178.7(5) . . . . ?
C13 P1 C7 C12 7.0(6) . . . . ?
C1 P1 C7 C12 114.0(5) . . . . ?
Pd1 P1 C7 C12 -122.7(5) . . . . ?
C13 P1 C7 C8 -176.4(5) . . . . ?
C1 P1 C7 C8 -69.4(5) . . . . ?
Pd1 P1 C7 C8 54.0(5) . . . . ?
C12 C7 C8 C9 -4.4(10) . . . . ?
P1 C7 C8 C9 178.8(6) . . . . ?
C7 C8 C9 C10 2.0(12) . . . . ?
C8 C9 C10 C11 1.4(12) . . . . ?
C9 C10 C11 C12 -2.3(11) . . . . ?
C8 C7 C12 C11 3.6(9) . . . . ?
P1 C7 C12 C11 -179.7(5) . . . . ?
C10 C11 C12 C7 -0.3(11) . . . . ?
C7 P1 C13 C18 -124.0(5) . . . . ?
C1 P1 C13 C18 125.3(5) . . . . ?
Pd1 P1 C13 C18 1.1(6) . . . . ?
C7 P1 C13 C14 60.8(5) . . . . ?
C1 P1 C13 C14 -50.0(5) . . . . ?
Pd1 P1 C13 C14 -174.1(4) . . . . ?
C18 C13 C14 C15 0.7(9) . . . . ?
P1 C13 C14 C15 176.1(5) . . . . ?
C13 C14 C15 C16 -0.6(11) . . . . ?
C14 C15 C16 C17 0.0(12) . . . . ?
C15 C16 C17 C18 0.5(12) . . . . ?
C14 C13 C18 C17 -0.1(9) . . . . ?
P1 C13 C18 C17 -175.4(5) . . . . ?
C16 C17 C18 C13 -0.4(11) . . . . ?
C31 P2 C19 C24 -134.9(7) . . . . ?
C25 P2 C19 C24 -21.7(8) . . . . ?
Pd2 P2 C19 C24 103.0(7) . . . . ?
C31 P2 C19 C20 45.4(6) . . . . ?
C25 P2 C19 C20 158.7(6) . . . . ?
Pd2 P2 C19 C20 -76.6(6) . . . . ?
C24 C19 C20 C21 -0.3(11) . . . . ?
P2 C19 C20 C21 179.4(6) . . . . ?
C19 C20 C21 C22 1.7(13) . . . . ?
C20 C21 C22 C23 -3.2(17) . . . . ?
C21 C22 C23 C24 3.2(19) . . . . ?
C20 C19 C24 C23 0.2(14) . . . . ?
P2 C19 C24 C23 -179.4(8) . . . . ?
C22 C23 C24 C19 -1.7(18) . . . . ?
C31 P2 C25 C26 -167.3(6) . . . . ?
C19 P2 C25 C26 84.0(6) . . . . ?
Pd2 P2 C25 C26 -41.9(6) . . . . ?
C31 P2 C25 C30 16.4(7) . . . . ?
C19 P2 C25 C30 -92.2(6) . . . . ?
Pd2 P2 C25 C30 141.8(5) . . . . ?
C30 C25 C26 C27 0.6(11) . . . . ?
P2 C25 C26 C27 -175.9(7) . . . . ?
C25 C26 C27 C28 -2.2(14) . . . . ?
C26 C27 C28 C29 2.5(14) . . . . ?
C27 C28 C29 C30 -1.2(13) . . . . ?
C26 C25 C30 C29 0.7(11) . . . . ?
P2 C25 C30 C29 176.9(6) . . . . ?
C28 C29 C30 C25 -0.4(12) . . . . ?
C25 P2 C31 C36 113.7(6) . . . . ?
C19 P2 C31 C36 -136.8(6) . . . . ?
Pd2 P2 C31 C36 -12.5(7) . . . . ?
C25 P2 C31 C32 -66.2(6) . . . . ?
C19 P2 C31 C32 43.4(6) . . . . ?
Pd2 P2 C31 C32 167.7(5) . . . . ?
C36 C31 C32 C33 -1.6(11) . . . . ?
P2 C31 C32 C33 178.2(6) . . . . ?
C31 C32 C33 C34 0.9(13) . . . . ?
C32 C33 C34 C35 0.9(16) . . . . ?
C33 C34 C35 C36 -2.0(17) . . . . ?
C34 C35 C36 C31 1.2(15) . . . . ?
C32 C31 C36 C35 0.6(12) . . . . ?
P2 C31 C36 C35 -179.2(7) . . . . ?
