#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:19:19 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178645 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/56/4075688.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_4075688
loop_
_publ_author_name
'Lindsell, W. Edward'
'Palmer, Daniel D.'
'Preston, Peter N.'
'Rosair, Georgina M.'
'Jones, Ray V. H.'
'Whitton, Alan J.'
_publ_section_title
;
 Investigations of Benzyl and Aryl Palladium Complexes with Pendant
 Hydroxy Substituents and Their Transformation into Benzolactones on
 Carbonylation
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1119
_journal_paper_doi               10.1021/om049131p
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C58 H58 O2 P2 Pd2, C H2 Cl2'
_chemical_formula_sum            'C59 H60 Cl2 O2 P2 Pd2'
_chemical_formula_weight         1146.72
_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                99.900(5)
_cell_angle_beta                 95.560(5)
_cell_angle_gamma                103.680(5)
_cell_formula_units_Z            1
_cell_length_a                   8.782(5)
_cell_length_b                   12.163(5)
_cell_length_c                   12.816(5)
_cell_measurement_reflns_used    35
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      12.41
_cell_measurement_theta_min      4.88
_cell_volume                     1296.7(10)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      160(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_av_sigmaI/netI    0.0496
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4838
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.59
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.901
_exptl_absorpt_correction_T_max  0.8939
_exptl_absorpt_correction_T_min  0.730
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'North etal., 1968'
_exptl_crystal_colour            pale_yellow
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       square_block
_exptl_crystal_F_000             586
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.16
_refine_diff_density_max         4.395
_refine_diff_density_min         -5.489
_refine_diff_density_rms         0.344
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4466
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      2.078
_refine_ls_R_factor_all          0.1179
_refine_ls_R_factor_gt           0.1055
_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)+(0.0500P)²+10.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2570
_refine_ls_wR_factor_ref         0.2678
_reflns_number_gt                3885
_reflns_number_total             4466
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om049131psi20041109_111226.cif
_cod_data_source_block           8
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4075688
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
Pd1 Pd 0.87440(9) 0.07732(8) 0.53473(6) 0.0167(3) Uani 1 1 d .
P1 P 0.7637(3) 0.1364(3) 0.6760(2) 0.0172(6) Uani 1 1 d .
O8 O 0.9823(9) 0.0261(7) 0.4074(6) 0.0198(16) Uani 1 1 d .
C1 C 0.7554(13) 0.1623(12) 0.4422(10) 0.029(3) Uani 1 1 d .
H1A H 0.6683 0.1058 0.3915 0.035 Uiso 1 1 calc R
H1B H 0.7091 0.2159 0.4884 0.035 Uiso 1 1 calc R
C2 C 0.8671(13) 0.2265(10) 0.3834(9) 0.022(2) Uani 1 1 d .
C3 C 0.8907(14) 0.3454(12) 0.3977(10) 0.029(3) Uani 1 1 d .
H3A H 0.8379 0.3830 0.4484 0.035 Uiso 1 1 calc R
C4 C 0.9892(15) 0.4108(12) 0.3403(11) 0.033(3) Uani 1 1 d .
H4A H 1.0032 0.4920 0.3513 0.040 Uiso 1 1 calc R
C5 C 1.0678(14) 0.3557(12) 0.2658(10) 0.030(3) Uani 1 1 d .
H5A H 1.1345 0.3989 0.2249 0.037 Uiso 1 1 calc R
C6 C 1.0474(14) 0.2380(12) 0.2526(10) 0.031(3) Uani 1 1 d .
H6A H 1.1014 0.2013 0.2022 0.037 Uiso 1 1 calc R
C7 C 0.9509(12) 0.1709(11) 0.3102(8) 0.021(2) Uani 1 1 d .
C8 C 0.9360(13) 0.0451(10) 0.3040(8) 0.020(2) Uani 1 1 d U
H8A H 0.8251 0.0007 0.2774 0.025 Uiso 1 1 calc R
H8B H 1.0043 0.0182 0.2536 0.025 Uiso 1 1 calc R
C131 C 0.6492(12) 0.0184(11) 0.7322(8) 0.020(2) Uani 1 1 d .
C132 C 0.5484(13) 0.0400(12) 0.8088(9) 0.025(3) Uani 1 1 d .
H13A H 0.5379 0.1160 0.8322 0.030 Uiso 1 1 calc R
C133 C 0.4653(14) -0.0511(13) 0.8492(10) 0.032(3) Uani 1 1 d .
H13B H 0.3990 -0.0364 0.9014 0.039 Uiso 1 1 calc R
C134 C 0.4760(13) -0.1630(13) 0.8158(10) 0.032(3) Uani 1 1 d .
C135 C 0.5738(14) -0.1830(12) 0.7383(10) 0.030(3) Uani 1 1 d .
H13C H 0.5819 -0.2592 0.7128 0.036 Uiso 1 1 calc R
C136 C 0.6589(13) -0.0912(11) 0.6985(9) 0.025(3) Uani 1 1 d .
H13D H 0.7255 -0.1059 0.6465 0.030 Uiso 1 1 calc R
C137 C 0.3873(17) -0.2609(15) 0.8620(13) 0.048(4) Uani 1 1 d .
H13E H 0.3254 -0.2313 0.9146 0.072 Uiso 1 1 calc R
H13F H 0.4628 -0.2957 0.8969 0.072 Uiso 1 1 calc R
H13G H 0.3159 -0.3192 0.8044 0.072 Uiso 1 1 calc R
C121 C 0.9145(12) 0.2277(11) 0.7857(9) 0.022(2) Uani 1 1 d .
C122 C 1.0711(15) 0.2578(14) 0.7659(11) 0.040(3) Uani 1 1 d .
H12A H 1.0976 0.2284 0.6985 0.048 Uiso 1 1 calc R
C123 C 1.1869(17) 0.3303(17) 0.8444(12) 0.051(4) Uani 1 1 d .
H12B H 1.2931 0.3489 0.8300 0.061 Uiso 1 1 calc R
C124 C 1.1544(16) 0.3770(15) 0.9436(11) 0.041(3) Uani 1 1 d .
C125 C 0.9970(15) 0.3428(15) 0.9632(10) 0.042(4) Uani 1 1 d .
H12C H 0.9706 0.3699 1.0314 0.050 Uiso 1 1 calc R
C126 C 0.8823(14) 0.2715(13) 0.8858(10) 0.031(3) Uani 1 1 d .
H12D H 0.7767 0.2510 0.9009 0.038 Uiso 1 1 calc R
C127 C 1.2820(19) 0.4552(18) 1.0286(13) 0.061(5) Uani 1 1 d .
H12E H 1.3830 0.4693 1.0003 0.091 Uiso 1 1 calc R
H12F H 1.2910 0.4187 1.0906 0.091 Uiso 1 1 calc R
H12G H 1.2552 0.5288 1.0505 0.091 Uiso 1 1 calc R
C111 C 0.6250(11) 0.2232(9) 0.6601(8) 0.016(2) Uani 1 1 d .
C112 C 0.6681(14) 0.3426(12) 0.6841(10) 0.029(3) Uani 1 1 d .
H11A H 0.7722 0.3815 0.7189 0.034 Uiso 1 1 calc R
C113 C 0.5645(16) 0.4077(12) 0.6591(11) 0.035(3) Uani 1 1 d .
H11B H 0.5969 0.4897 0.6780 0.042 Uiso 1 1 calc R
C114 C 0.4091(14) 0.3505(12) 0.6048(10) 0.031(3) Uani 1 1 d .
C115 C 0.3652(13) 0.2342(11) 0.5825(9) 0.025(3) Uani 1 1 d .
H11C H 0.2605 0.1956 0.5487 0.030 Uiso 1 1 calc R
C116 C 0.4693(12) 0.1685(11) 0.6076(9) 0.024(3) Uani 1 1 d .
H11D H 0.4352 0.0865 0.5893 0.029 Uiso 1 1 calc R
C117 C 0.299(2) 0.4227(16) 0.5757(14) 0.055(5) Uani 1 1 d .
H11E H 0.1970 0.3716 0.5391 0.083 Uiso 1 1 calc R
H11F H 0.3458 0.4722 0.5283 0.083 Uiso 1 1 calc R
H11G H 0.2819 0.4708 0.6410 0.083 Uiso 1 1 calc R
Cl1 Cl 0.183(3) 0.1126(16) 0.9766(11) 0.037(4) Uani 0.33 1 d P
C1S C 0.083(4) -0.021(4) 1.004(3) 0.031(9) Uani 0.50 1 d P
H1S1 H 0.1045 -0.0847 0.9522 0.037 Uiso 0.50 1 calc PR
H1S2 H 0.1252 -0.0271 1.0765 0.037 Uiso 0.50 1 calc PR
Cl2 Cl -0.120(3) -0.039(2) 0.9947(14) 0.045(5) Uani 0.33 1 d P
Cl3 Cl 0.163(7) 0.089(6) 0.994(5) 0.18(4) Uani 0.33 1 d P
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'
Cl Cl 0.1484 0.1585 '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
O8 Pd1 C1 89.7(4) . .
O8 Pd1 O8 75.6(3) . 2_756
C1 Pd1 O8 165.2(4) . 2_756
O8 Pd1 P1 178.3(2) . .
C1 Pd1 P1 91.0(3) . .
O8 Pd1 P1 103.8(2) 2_756 .
C111 P1 C121 103.2(5) . .
C111 P1 C131 102.4(5) . .
C121 P1 C131 106.2(5) . .
C111 P1 Pd1 118.4(3) . .
C121 P1 Pd1 111.0(4) . .
C131 P1 Pd1 114.4(4) . .
C8 O8 Pd1 121.2(6) . .
C8 O8 Pd1 133.5(6) . 2_756
Pd1 O8 Pd1 104.4(3) . 2_756
C2 C1 Pd1 108.6(7) . .
C2 C1 H1A 110.0 . .
Pd1 C1 H1A 110.0 . .
C2 C1 H1B 110.0 . .
Pd1 C1 H1B 110.0 . .
H1A C1 H1B 108.4 . .
C3 C2 C7 118.9(10) . .
C3 C2 C1 119.0(11) . .
C7 C2 C1 122.1(11) . .
C2 C3 C4 121.9(12) . .
C2 C3 H3A 119.1 . .
C4 C3 H3A 119.1 . .
C3 C4 C5 119.2(12) . .
C3 C4 H4A 120.4 . .
C5 C4 H4A 120.4 . .
C6 C5 C4 119.2(11) . .
C6 C5 H5A 120.4 . .
C4 C5 H5A 120.4 . .
C5 C6 C7 122.6(12) . .
C5 C6 H6A 118.7 . .
C7 C6 H6A 118.7 . .
C6 C7 C2 118.1(11) . .
C6 C7 C8 123.9(11) . .
C2 C7 C8 117.9(9) . .
O8 C8 C7 109.3(9) . .
O8 C8 H8A 109.8 . .
C7 C8 H8A 109.8 . .
O8 C8 H8B 109.8 . .
C7 C8 H8B 109.8 . .
H8A C8 H8B 108.3 . .
C136 C131 C132 119.2(11) . .
C136 C131 P1 119.7(8) . .
C132 C131 P1 121.1(9) . .
C133 C132 C131 119.1(12) . .
C133 C132 H13A 120.5 . .
C131 C132 H13A 120.5 . .
C134 C133 C132 122.0(11) . .
C134 C133 H13B 119.0 . .
C132 C133 H13B 119.0 . .
C133 C134 C135 118.1(12) . .
C133 C134 C137 121.3(12) . .
C135 C134 C137 120.6(14) . .
C136 C135 C134 120.0(13) . .
C136 C135 H13C 120.0 . .
C134 C135 H13C 120.0 . .
C131 C136 C135 121.6(11) . .
C131 C136 H13D 119.2 . .
C135 C136 H13D 119.2 . .
C134 C137 H13E 109.5 . .
C134 C137 H13F 109.5 . .
H13E C137 H13F 109.5 . .
C134 C137 H13G 109.5 . .
H13E C137 H13G 109.5 . .
H13F C137 H13G 109.5 . .
C126 C121 C122 117.9(12) . .
C126 C121 P1 124.2(8) . .
C122 C121 P1 117.9(10) . .
C123 C122 C121 119.9(13) . .
C123 C122 H12A 120.1 . .
C121 C122 H12A 120.1 . .
C122 C123 C124 122.5(13) . .
C122 C123 H12B 118.8 . .
C124 C123 H12B 118.8 . .
C123 C124 C125 116.8(13) . .
C123 C124 C127 121.9(13) . .
C125 C124 C127 121.2(13) . .
C126 C125 C124 120.8(12) . .
C126 C125 H12C 119.6 . .
C124 C125 H12C 119.6 . .
C125 C126 C121 122.1(11) . .
C125 C126 H12D 118.9 . .
C121 C126 H12D 118.9 . .
C124 C127 H12E 109.5 . .
C124 C127 H12F 109.5 . .
H12E C127 H12F 109.5 . .
C124 C127 H12G 109.5 . .
H12E C127 H12G 109.5 . .
H12F C127 H12G 109.5 . .
C112 C111 C116 117.1(10) . .
C112 C111 P1 123.3(8) . .
C116 C111 P1 119.0(9) . .
C111 C112 C113 122.3(12) . .
C111 C112 H11A 118.8 . .
C113 C112 H11A 118.8 . .
C112 C113 C114 119.4(13) . .
C112 C113 H11B 120.3 . .
C114 C113 H11B 120.3 . .
C115 C114 C113 118.7(11) . .
C115 C114 C117 122.4(13) . .
C113 C114 C117 118.9(13) . .
C114 C115 C116 121.9(11) . .
C114 C115 H11C 119.0 . .
C116 C115 H11C 119.0 . .
C115 C116 C111 120.4(12) . .
C115 C116 H11D 119.8 . .
C111 C116 H11D 119.8 . .
C114 C117 H11E 109.5 . .
C114 C117 H11F 109.5 . .
H11E C117 H11F 109.5 . .
C114 C117 H11G 109.5 . .
H11E C117 H11G 109.5 . .
H11F C117 H11G 109.5 . .
Cl2 Cl1 C1S 9.3(15) 2_557 .
Cl2 C1S Cl1 113(3) . .
Cl2 C1S H1S1 109.1 . .
Cl1 C1S H1S1 109.1 . .
Cl2 C1S H1S2 109.1 . .
Cl1 C1S H1S2 109.1 . .
H1S1 C1S H1S2 107.8 . .
Cl3 Cl2 C1S 164(6) 2_557 2_557
Cl3 Cl2 Cl1 8(5) 2_557 2_557
C1S Cl2 Cl1 157(4) 2_557 2_557
Cl3 Cl2 C1S 116(7) 2_557 .
C1S Cl2 C1S 72(4) 2_557 .
Cl1 Cl2 C1S 115(3) 2_557 .
Cl3 Cl2 Cl2 135(7) 2_557 2_557
C1S Cl2 Cl2 52(3) 2_557 2_557
Cl1 Cl2 Cl2 132(3) 2_557 2_557
C1S Cl2 Cl2 19.3(14) . 2_557
Cl2 Cl3 C1S 47(5) 2_557 2_557
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 O8 2.044(7) .
Pd1 C1 2.064(11) .
Pd1 O8 2.146(7) 2_756
Pd1 P1 2.227(3) .
P1 C111 1.809(11) .
P1 C121 1.836(12) .
P1 C131 1.844(12) .
O8 C8 1.420(12) .
O8 Pd1 2.146(7) 2_756
C1 C2 1.457(16) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 C3 1.388(18) .
C2 C7 1.425(16) .
C3 C4 1.386(18) .
C3 H3A 0.9500 .
C4 C5 1.401(19) .
C4 H4A 0.9500 .
C5 C6 1.378(19) .
C5 H5A 0.9500 .
C6 C7 1.388(16) .
C6 H6A 0.9500 .
C7 C8 1.493(17) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C131 C136 1.355(17) .
C131 C132 1.417(15) .
C132 C133 1.385(18) .
C132 H13A 0.9500 .
C133 C134 1.38(2) .
C133 H13B 0.9500 .
C134 C135 1.401(18) .
C134 C137 1.506(19) .
C135 C136 1.393(17) .
C135 H13C 0.9500 .
C136 H13D 0.9500 .
C137 H13E 0.9800 .
C137 H13F 0.9800 .
C137 H13G 0.9800 .
C121 C126 1.384(17) .
C121 C122 1.396(16) .
C122 C123 1.38(2) .
C122 H12A 0.9500 .
C123 C124 1.39(2) .
C123 H12B 0.9500 .
C124 C125 1.406(18) .
C124 C127 1.50(2) .
C125 C126 1.36(2) .
C125 H12C 0.9500 .
C126 H12D 0.9500 .
C127 H12E 0.9800 .
C127 H12F 0.9800 .
C127 H12G 0.9800 .
C111 C112 1.382(17) .
C111 C116 1.416(14) .
C112 C113 1.389(17) .
C112 H11A 0.9500 .
C113 C114 1.424(19) .
C113 H11B 0.9500 .
C114 C115 1.347(19) .
C114 C117 1.515(17) .
C115 C116 1.398(16) .
C115 H11C 0.9500 .
C116 H11D 0.9500 .
C117 H11E 0.9800 .
C117 H11F 0.9800 .
C117 H11G 0.9800 .
Cl1 Cl2 1.08(4) 2_557
Cl1 C1S 1.77(5) .
C1S Cl2 1.74(4) .
C1S H1S1 0.9900 .
C1S H1S2 0.9900 .
Cl2 Cl3 0.68(9) 2_557
Cl2 C1S 0.73(3) 2_557
Cl2 Cl1 1.08(4) 2_557
Cl2 Cl2 2.08(5) 2_557
Cl3 Cl2 0.68(9) 2_557
Cl3 C1S 2.13(7) 2_557
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_4
O8 Pd1 P1 C111 114(8) . .
C1 Pd1 P1 C111 1.1(5) . .
O8 Pd1 P1 C111 -177.7(4) 2_756 .
O8 Pd1 P1 C121 -5(8) . .
C1 Pd1 P1 C121 -118.0(6) . .
O8 Pd1 P1 C121 63.3(4) 2_756 .
O8 Pd1 P1 C131 -125(8) . .
C1 Pd1 P1 C131 121.9(5) . .
O8 Pd1 P1 C131 -56.9(4) 2_756 .
C1 Pd1 O8 C8 -8.2(9) . .
O8 Pd1 O8 C8 170.2(10) 2_756 .
P1 Pd1 O8 C8 -121(7) . .
C1 Pd1 O8 Pd1 -178.4(5) . 2_756
O8 Pd1 O8 Pd1 0.0 2_756 2_756
P1 Pd1 O8 Pd1 69(8) . 2_756
O8 Pd1 C1 C2 -44.9(9) . .
O8 Pd1 C1 C2 -51(2) 2_756 .
P1 Pd1 C1 C2 133.6(9) . .
Pd1 C1 C2 C3 -121.1(10) . .
Pd1 C1 C2 C7 60.0(13) . .
C7 C2 C3 C4 2.2(16) . .
C1 C2 C3 C4 -176.7(11) . .
C2 C3 C4 C5 -0.2(18) . .
C3 C4 C5 C6 -1.0(17) . .
C4 C5 C6 C7 0.2(18) . .
C5 C6 C7 C2 1.7(16) . .
C5 C6 C7 C8 -175.0(10) . .
C3 C2 C7 C6 -2.9(15) . .
C1 C2 C7 C6 176.0(10) . .
C3 C2 C7 C8 174.1(9) . .
C1 C2 C7 C8 -7.1(15) . .
Pd1 O8 C8 C7 56.7(10) . .
Pd1 O8 C8 C7 -136.4(8) 2_756 .
C6 C7 C8 O8 120.5(11) . .
C2 C7 C8 O8 -56.3(12) . .
C111 P1 C131 C136 139.8(9) . .
C121 P1 C131 C136 -112.3(9) . .
Pd1 P1 C131 C136 10.5(10) . .
C111 P1 C131 C132 -39.0(9) . .
C121 P1 C131 C132 68.9(9) . .
Pd1 P1 C131 C132 -168.3(7) . .
C136 C131 C132 C133 1.5(16) . .
P1 C131 C132 C133 -179.7(8) . .
C131 C132 C133 C134 -1.0(17) . .
C132 C133 C134 C135 -0.4(17) . .
C132 C133 C134 C137 178.9(11) . .
C133 C134 C135 C136 1.2(17) . .
C137 C134 C135 C136 -178.1(11) . .
C132 C131 C136 C135 -0.8(16) . .
P1 C131 C136 C135 -179.6(8) . .
C134 C135 C136 C131 -0.6(17) . .
C111 P1 C121 C126 56.2(11) . .
C131 P1 C121 C126 -51.1(12) . .
Pd1 P1 C121 C126 -176.0(10) . .
C111 P1 C121 C122 -121.9(10) . .
C131 P1 C121 C122 130.8(10) . .
Pd1 P1 C121 C122 5.9(11) . .
C126 C121 C122 C123 -1(2) . .
P1 C121 C122 C123 177.2(13) . .
C121 C122 C123 C124 -1(3) . .
C122 C123 C124 C125 3(3) . .
C122 C123 C124 C127 179.6(17) . .
C123 C124 C125 C126 -3(2) . .
C127 C124 C125 C126 -179.7(16) . .
C124 C125 C126 C121 1(2) . .
C122 C121 C126 C125 1(2) . .
P1 C121 C126 C125 -177.2(11) . .
C121 P1 C111 C112 28.7(11) . .
C131 P1 C111 C112 138.9(10) . .
Pd1 P1 C111 C112 -94.3(10) . .
C121 P1 C111 C116 -160.0(8) . .
C131 P1 C111 C116 -49.8(9) . .
Pd1 P1 C111 C116 77.0(9) . .
C116 C111 C112 C113 0.4(18) . .
P1 C111 C112 C113 171.9(10) . .
C111 C112 C113 C114 -1(2) . .
C112 C113 C114 C115 2.3(19) . .
C112 C113 C114 C117 -178.6(13) . .
C113 C114 C115 C116 -2.3(19) . .
C117 C114 C115 C116 178.6(12) . .
C114 C115 C116 C111 1.4(18) . .
C112 C111 C116 C115 -0.4(16) . .
P1 C111 C116 C115 -172.2(9) . .
Cl2 Cl1 C1S Cl2 74(10) 2_557 .
Cl1 C1S Cl2 Cl3 -179(6) . 2_557
Cl1 C1S Cl2 C1S -14(3) . 2_557
Cl1 C1S Cl2 Cl1 -170.1(16) . 2_557
Cl1 C1S Cl2 Cl2 -14(3) . 2_557
