#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:01:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179089 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/51/4305190.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_4305190
loop_
_publ_author_name
'D. Fernández-Anca'
'M. Inés García-Seijo'
'Alfonso Castiñeiras'
'M. Esther García-Fernández'
_publ_section_title
;
Novel Chelate Ring-Opening Induced by Silver(I) of Five-Coordinate
Palladium(II) and Platinum(II) Complexes Containing Tripodal Polyphosphines
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5685
_journal_page_last               5695
_journal_paper_doi               10.1021/ic702419r
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C42 H42 Ag Br5 P4 Pd2'
_chemical_formula_weight         1390.86
_chemical_name_systematic
;
 [Pd4Ag2(PP3)2Br9]Br
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 95.638(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   26.348(8)
_cell_length_b                   9.770(3)
_cell_length_c                   35.539(11)
_cell_measurement_reflns_used    969
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.34
_cell_measurement_theta_min      2.54
_cell_volume                     9104(5)
_computing_cell_refinement       'Bruker Smart'
_computing_data_collection       'Bruker Smart'
_computing_data_reduction        'Bruker Shelxtl'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    sir-92
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0872
_diffrn_reflns_av_sigmaI/netI    0.0767
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9883
_diffrn_reflns_theta_full        26.42
_diffrn_reflns_theta_max         26.42
_diffrn_reflns_theta_min         1.15
_exptl_absorpt_coefficient_mu    5.767
_exptl_absorpt_correction_T_max  0.6249
_exptl_absorpt_correction_T_min  0.2063
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.029
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5344
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.871
_refine_diff_density_min         -4.158
_refine_diff_density_rms         0.403
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         9322
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.1508
_refine_ls_R_factor_gt           0.0840
_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)+(0.1879P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2599
_refine_ls_wR_factor_ref         0.3049
_reflns_number_gt                5020
_reflns_number_total             9322
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702419r-file002.cif
_cod_data_source_block           PdAgBr
_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_cell_volume        9105(5)
_cod_database_code               4305190
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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 0.88876(3) 0.64130(9) 0.09142(2) 0.0330(3) Uani 1 1 d . . .
Br1 Br 0.85144(5) 0.49670(15) 0.03919(4) 0.0561(4) Uani 1 1 d . . .
Ag1 Ag 1.07747(6) 0.41481(14) 0.19016(5) 0.0953(6) Uani 1 1 d . . .
P4 P 1.09344(12) 0.6459(3) 0.17328(9) 0.0396(7) Uani 1 1 d . . .
P1 P 0.91986(11) 0.8137(3) 0.05492(9) 0.0385(7) Uani 1 1 d . . .
P3 P 0.84506(12) 0.5450(3) 0.13820(9) 0.0415(8) Uani 1 1 d . . .
P2 P 0.93179(11) 0.7498(3) 0.13914(9) 0.0375(7) Uani 1 1 d . . .
C39 C 1.1730(6) 0.9157(16) 0.2461(4) 0.062(4) Uani 1 1 d . . .
H39 H 1.1677 0.9983 0.2581 0.074 Uiso 1 1 calc R . .
C1 C 0.9440(5) 0.9256(13) 0.1251(4) 0.046(3) Uani 1 1 d . . .
H1A H 0.9130 0.9794 0.1247 0.055 Uiso 1 1 calc R . .
H1B H 0.9697 0.9671 0.1430 0.055 Uiso 1 1 calc R . .
C42 C 1.1878(5) 0.6678(16) 0.2112(5) 0.069(5) Uani 1 1 d . . .
H42 H 1.1929 0.5830 0.2003 0.083 Uiso 1 1 calc R . .
C3 C 0.8986(5) 0.7354(13) 0.1822(4) 0.046(3) Uani 1 1 d . . .
H3A H 0.9221 0.7544 0.2044 0.055 Uiso 1 1 calc R . .
H3B H 0.8708 0.8006 0.1814 0.055 Uiso 1 1 calc R . .
C37 C 1.1399(4) 0.7308(13) 0.2047(3) 0.042(3) Uani 1 1 d . . .
C36 C 1.1268(7) 0.806(2) 0.1164(5) 0.091(6) Uani 1 1 d . . .
H36 H 1.1261 0.8776 0.1337 0.109 Uiso 1 1 calc R . .
C31 C 1.1115(5) 0.6811(18) 0.1263(4) 0.056(4) Uani 1 1 d . . .
C19 C 0.7834(5) 0.6315(15) 0.1356(4) 0.050(3) Uani 1 1 d . . .
C18 C 0.8259(5) 0.8550(15) 0.0163(5) 0.061(4) Uani 1 1 d . . .
H18 H 0.8283 0.7641 0.0090 0.074 Uiso 1 1 calc R . .
C10 C 1.0021(8) 0.708(2) -0.0485(5) 0.086(6) Uani 1 1 d . . .
H10 H 1.0176 0.6799 -0.0696 0.103 Uiso 1 1 calc R . .
C40 C 1.2198(6) 0.8526(18) 0.2512(4) 0.068(4) Uani 1 1 d . . .
H40 H 1.2463 0.8930 0.2666 0.082 Uiso 1 1 calc R . .
C2 C 0.9622(5) 0.9213(14) 0.0865(4) 0.050(3) Uani 1 1 d . . .
H2A H 0.9966 0.8849 0.0881 0.060 Uiso 1 1 calc R . .
H2B H 0.9629 1.0133 0.0763 0.060 Uiso 1 1 calc R . .
C13 C 0.8660(5) 0.9152(13) 0.0392(3) 0.044(3) Uani 1 1 d . . .
C17 C 0.7831(6) 0.9293(19) 0.0046(5) 0.081(5) Uani 1 1 d . . .
H17 H 0.7570 0.8875 -0.0108 0.098 Uiso 1 1 calc R . .
C6 C 1.0339(4) 0.7403(13) 0.1732(3) 0.040(3) Uani 1 1 d . . .
H6A H 1.0234 0.7440 0.1986 0.048 Uiso 1 1 calc R . .
H6B H 1.0384 0.8332 0.1645 0.048 Uiso 1 1 calc R . .
C4 C 0.8783(5) 0.5911(16) 0.1840(4) 0.056(4) Uani 1 1 d . . .
H4A H 0.8550 0.5851 0.2035 0.067 Uiso 1 1 calc R . .
H4B H 0.9062 0.5280 0.1904 0.067 Uiso 1 1 calc R . .
C7 C 0.9516(5) 0.7780(14) 0.0126(4) 0.049(3) Uani 1 1 d . . .
C11 C 1.0226(8) 0.669(3) -0.0131(6) 0.127(10) Uani 1 1 d . . .
H11 H 1.0524 0.6179 -0.0100 0.153 Uiso 1 1 calc R . .
C5 C 0.9945(4) 0.6688(12) 0.1475(3) 0.039(3) Uani 1 1 d . . .
H5A H 0.9897 0.5781 0.1577 0.047 Uiso 1 1 calc R . .
H5B H 1.0079 0.6571 0.1232 0.047 Uiso 1 1 calc R . .
C8 C 0.9349(6) 0.821(2) -0.0214(5) 0.079(5) Uani 1 1 d . . .
H8 H 0.9058 0.8750 -0.0246 0.094 Uiso 1 1 calc R . .
C38 C 1.1329(5) 0.8543(15) 0.2224(4) 0.050(3) Uani 1 1 d . . .
H38 H 1.1015 0.8979 0.2187 0.060 Uiso 1 1 calc R . .
C14 C 0.8592(6) 1.0551(16) 0.0491(4) 0.061(4) Uani 1 1 d . . .
H14 H 0.8858 1.0985 0.0636 0.073 Uiso 1 1 calc R . .
C15 C 0.8165(6) 1.1286(16) 0.0389(5) 0.071(5) Uani 1 1 d . . .
H15 H 0.8129 1.2178 0.0474 0.085 Uiso 1 1 calc R . .
C32 C 1.1089(6) 0.580(2) 0.0998(4) 0.085(6) Uani 1 1 d . . .
H32 H 1.0971 0.4941 0.1062 0.102 Uiso 1 1 calc R . .
C34 C 1.1408(10) 0.727(5) 0.0547(6) 0.160(17) Uani 1 1 d . . .
H34 H 1.1507 0.7417 0.0306 0.192 Uiso 1 1 calc R . .
C33 C 1.1235(10) 0.600(3) 0.0635(6) 0.122(11) Uani 1 1 d . . .
H33 H 1.1214 0.5298 0.0458 0.146 Uiso 1 1 calc R . .
C41 C 1.2277(6) 0.7281(19) 0.2334(5) 0.080(5) Uani 1 1 d . . .
H41 H 1.2596 0.6862 0.2364 0.096 Uiso 1 1 calc R . .
C16 C 0.7777(6) 1.0648(19) 0.0150(6) 0.079(5) Uani 1 1 d . . .
H16 H 0.7485 1.1134 0.0062 0.095 Uiso 1 1 calc R . .
C35 C 1.1441(10) 0.834(3) 0.0804(7) 0.136(10) Uani 1 1 d . . .
H35 H 1.1569 0.9193 0.0745 0.163 Uiso 1 1 calc R . .
Br2 Br 1.13585(7) 0.2875(2) 0.24271(5) 0.0875(6) Uani 1 1 d . . .
Br3 Br 1.01830(17) 0.2347(3) 0.15310(6) 0.195(2) Uani 1 1 d . . .
C28 C 0.8065(12) 0.081(2) 0.1479(9) 0.124(11) Uani 1 1 d . . .
H28 H 0.7993 -0.0115 0.1498 0.149 Uiso 1 1 calc R . .
C27 C 0.7747(9) 0.167(2) 0.1285(9) 0.121(10) Uani 1 1 d . . .
H27 H 0.7441 0.1332 0.1171 0.146 Uiso 1 1 calc R . .
C25 C 0.8281(6) 0.3645(15) 0.1398(5) 0.063(4) Uani 1 1 d . . .
C24 C 0.7500(6) 0.602(2) 0.1630(5) 0.077(5) Uani 1 1 d . . .
H24 H 0.7608 0.5441 0.1828 0.092 Uiso 1 1 calc R . .
C22 C 0.6891(7) 0.749(3) 0.1338(8) 0.114(8) Uani 1 1 d . . .
H22 H 0.6579 0.7934 0.1331 0.136 Uiso 1 1 calc R . .
C26 C 0.7858(8) 0.315(2) 0.1241(6) 0.093(6) Uani 1 1 d . . .
H26 H 0.7625 0.3715 0.1102 0.112 Uiso 1 1 calc R . .
C30 C 0.8663(9) 0.2718(18) 0.1625(6) 0.096(7) Uani 1 1 d . . .
H30 H 0.8976 0.3026 0.1738 0.116 Uiso 1 1 calc R . .
C23 C 0.7032(8) 0.655(3) 0.1615(7) 0.108(8) Uani 1 1 d . . .
H23 H 0.6807 0.6296 0.1788 0.130 Uiso 1 1 calc R . .
C20 C 0.7679(6) 0.7179(18) 0.1086(5) 0.071(5) Uani 1 1 d . . .
H20 H 0.7891 0.7403 0.0901 0.085 Uiso 1 1 calc R . .
C21 C 0.7212(8) 0.774(2) 0.1079(8) 0.114(8) Uani 1 1 d . . .
H21 H 0.7108 0.8340 0.0884 0.137 Uiso 1 1 calc R . .
C12 C 0.9990(9) 0.707(3) 0.0169(6) 0.132(11) Uani 1 1 d . . .
H12 H 1.0138 0.6859 0.0411 0.159 Uiso 1 1 calc R . .
C29 C 0.8500(15) 0.138(3) 0.1647(8) 0.153(15) Uani 1 1 d . . .
H29 H 0.8715 0.0791 0.1795 0.184 Uiso 1 1 calc R . .
Br4 Br 1.0000 -0.0160(2) 0.2500 0.0764(8) Uani 1 2 d S . .
C9 C 0.9601(8) 0.786(2) -0.0532(5) 0.089(6) Uani 1 1 d . . .
H9 H 0.9478 0.8174 -0.0772 0.107 Uiso 1 1 calc R . .
Pd2 Pd 1.04444(12) 0.2041(3) 0.23083(8) 0.1870(14) Uani 1 1 d . . .
Br6 Br 1.0000 0.4848(3) 0.2500 0.0643(6) Uani 1 2 d S . .
Br5 Br 1.0408(2) 0.2273(6) 0.27862(15) 0.228(2) 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
Ag Ag -0.8971 1.1015 '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 P3 84.14(12) . . ?
P2 Pd1 P1 84.18(12) . . ?
P3 Pd1 P1 157.47(12) . . ?
P2 Pd1 Br1 171.57(10) . . ?
P3 Pd1 Br1 96.81(10) . . ?
P1 Pd1 Br1 97.57(9) . . ?
P4 Ag1 Br2 121.62(11) . . ?
P4 Ag1 Br3 128.38(12) . . ?
Br2 Ag1 Br3 108.60(11) . . ?
P4 Ag1 Pd2 158.16(14) . . ?
Br2 Ag1 Pd2 56.94(9) . . ?
Br3 Ag1 Pd2 63.31(9) . . ?
C37 P4 C31 105.3(6) . . ?
C37 P4 C6 107.7(6) . . ?
C31 P4 C6 101.9(6) . . ?
C37 P4 Ag1 114.2(4) . . ?
C31 P4 Ag1 118.7(6) . . ?
C6 P4 Ag1 107.9(4) . . ?
C13 P1 C7 105.3(6) . . ?
C13 P1 C2 107.0(6) . . ?
C7 P1 C2 108.2(6) . . ?
C13 P1 Pd1 105.4(4) . . ?
C7 P1 Pd1 122.5(5) . . ?
C2 P1 Pd1 107.5(5) . . ?
C25 P3 C19 103.3(7) . . ?
C25 P3 C4 108.0(8) . . ?
C19 P3 C4 106.1(7) . . ?
C25 P3 Pd1 123.8(5) . . ?
C19 P3 Pd1 106.1(5) . . ?
C4 P3 Pd1 108.1(5) . . ?
C1 P2 C5 105.7(6) . . ?
C1 P2 C3 114.2(6) . . ?
C5 P2 C3 109.1(6) . . ?
C1 P2 Pd1 109.4(4) . . ?
C5 P2 Pd1 107.7(4) . . ?
C3 P2 Pd1 110.5(4) . . ?
C40 C39 C38 119.7(14) . . ?
C2 C1 P2 107.7(9) . . ?
C41 C42 C37 121.9(15) . . ?
C4 C3 P2 107.9(9) . . ?
C38 C37 C42 117.8(12) . . ?
C38 C37 P4 125.4(9) . . ?
C42 C37 P4 116.8(10) . . ?
C31 C36 C35 123(2) . . ?
C36 C31 C32 118.3(17) . . ?
C36 C31 P4 121.8(14) . . ?
C32 C31 P4 119.9(15) . . ?
C20 C19 C24 117.6(14) . . ?
C20 C19 P3 123.2(11) . . ?
C24 C19 P3 119.1(12) . . ?
C17 C18 C13 120.4(14) . . ?
C9 C10 C11 121.2(17) . . ?
C39 C40 C41 120.2(14) . . ?
C1 C2 P1 110.2(8) . . ?
C18 C13 C14 116.2(12) . . ?
C18 C13 P1 118.9(10) . . ?
C14 C13 P1 124.8(10) . . ?
C18 C17 C16 121.9(16) . . ?
C5 C6 P4 108.2(8) . . ?
C3 C4 P3 109.4(9) . . ?
C8 C7 C12 117.7(15) . . ?
C8 C7 P1 123.9(12) . . ?
C12 C7 P1 118.2(12) . . ?
C12 C11 C10 118.9(18) . . ?
C6 C5 P2 117.5(8) . . ?
C7 C8 C9 121.5(16) . . ?
C37 C38 C39 121.0(12) . . ?
C15 C14 C13 124.2(14) . . ?
C14 C15 C16 117.5(15) . . ?
C31 C32 C33 122(2) . . ?
C33 C34 C35 122(2) . . ?
C34 C33 C32 118(2) . . ?
C42 C41 C40 119.4(14) . . ?
C17 C16 C15 119.7(14) . . ?
C34 C35 C36 116(3) . . ?
Pd2 Br2 Ag1 63.37(9) . . ?
Ag1 Br3 Pd2 59.89(8) . . ?
C27 C28 C29 116(2) . . ?
C28 C27 C26 123(2) . . ?
C26 C25 C30 120.3(17) . . ?
C26 C25 P3 123.7(16) . . ?
C30 C25 P3 116.0(13) . . ?
C23 C24 C19 122.4(19) . . ?
C21 C22 C23 118.5(19) . . ?
C25 C26 C27 119(2) . . ?
C29 C30 C25 114(2) . . ?
C24 C23 C22 118.1(19) . . ?
C19 C20 C21 119.7(18) . . ?
C22 C21 C20 124(2) . . ?
C11 C12 C7 121.3(18) . . ?
C28 C29 C30 128(3) . . ?
Pd2 Br4 Pd2 66.54(18) . 2_755 ?
Pd2 Br4 Br5 37.53(13) . . ?
Pd2 Br4 Br5 49.74(14) 2_755 . ?
Pd2 Br4 Br5 49.74(14) . 2_755 ?
Pd2 Br4 Br5 37.53(13) 2_755 2_755 ?
Br5 Br4 Br5 61.2(2) . 2_755 ?
C10 C9 C8 118.9(17) . . ?
Br5 Pd2 Br5 89.0(3) . 2_755 ?
Br5 Pd2 Br2 86.4(2) . . ?
Br5 Pd2 Br2 155.5(2) 2_755 . ?
Br5 Pd2 Br4 77.2(2) . . ?
Br5 Pd2 Br4 69.50(17) 2_755 . ?
Br2 Pd2 Br4 132.32(15) . . ?
Br5 Pd2 Ag1 118.5(3) . . ?
Br5 Pd2 Ag1 102.3(2) 2_755 . ?
Br2 Pd2 Ag1 59.69(7) . . ?
Br4 Pd2 Ag1 162.86(14) . . ?
Br5 Pd2 Br3 157.9(3) . . ?
Br5 Pd2 Br3 72.34(19) 2_755 . ?
Br2 Pd2 Br3 105.53(12) . . ?
Br4 Pd2 Br3 106.06(11) . . ?
Ag1 Pd2 Br3 56.80(7) . . ?
Br5 Pd2 Pd2 52.9(2) . 2_755 ?
Br5 Pd2 Pd2 37.67(15) 2_755 2_755 ?
Br2 Pd2 Pd2 137.58(17) . 2_755 ?
Br4 Pd2 Pd2 56.73(9) . 2_755 ?
Ag1 Pd2 Pd2 125.67(11) . 2_755 ?
Br3 Pd2 Pd2 109.97(19) . 2_755 ?
Pd2 Br5 Pd2 89.5(3) . 2_755 ?
Pd2 Br5 Br4 65.29(19) . . ?
Pd2 Br5 Br4 60.76(15) 2_755 . ?
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 2.215(3) . ?
Pd1 P3 2.313(3) . ?
Pd1 P1 2.324(3) . ?
Pd1 Br1 2.4599(16) . ?
Ag1 P4 2.385(4) . ?
Ag1 Br2 2.615(2) . ?
Ag1 Br3 2.619(2) . ?
Ag1 Pd2 2.707(3) . ?
P4 C37 1.779(13) . ?
P4 C31 1.812(15) . ?
P4 C6 1.819(12) . ?
P1 C13 1.777(13) . ?
P1 C7 1.824(14) . ?
P1 C2 1.833(13) . ?
P3 C25 1.822(14) . ?
P3 C19 1.824(14) . ?
P3 C4 1.828(14) . ?
P2 C1 1.825(13) . ?
P2 C5 1.830(11) . ?
P2 C3 1.840(12) . ?
C39 C40 1.37(2) . ?
C39 C38 1.418(19) . ?
C1 C2 1.501(18) . ?
C42 C41 1.38(2) . ?
C42 C37 1.404(17) . ?
C3 C4 1.511(19) . ?
C37 C38 1.381(18) . ?
C36 C31 1.35(3) . ?
C36 C35 1.42(3) . ?
C31 C32 1.36(2) . ?
C19 C20 1.31(2) . ?
C19 C24 1.41(2) . ?
C18 C17 1.37(2) . ?
C18 C13 1.396(19) . ?
C10 C9 1.34(3) . ?
C10 C11 1.37(3) . ?
C40 C41 1.40(2) . ?
C13 C14 1.43(2) . ?
C17 C16 1.39(3) . ?
C6 C5 1.488(15) . ?
C7 C8 1.32(2) . ?
C7 C12 1.42(2) . ?
C11 C12 1.34(2) . ?
C8 C9 1.41(2) . ?
C14 C15 1.35(2) . ?
C15 C16 1.41(2) . ?
C32 C33 1.40(3) . ?
C34 C33 1.36(4) . ?
C34 C35 1.39(5) . ?
Br2 Pd2 2.538(4) . ?
Br3 Pd2 2.796(4) . ?
C28 C27 1.33(4) . ?
C28 C29 1.36(4) . ?
C27 C26 1.48(3) . ?
C25 C26 1.29(2) . ?
C25 C30 1.53(3) . ?
C24 C23 1.33(3) . ?
C22 C21 1.33(3) . ?
C22 C23 1.36(3) . ?
C30 C29 1.38(3) . ?
C20 C21 1.35(2) . ?
Br4 Pd2 2.573(3) . ?
Br4 Pd2 2.573(3) 2_755 ?
Br4 Br5 2.762(6) . ?
Br4 Br5 2.762(6) 2_755 ?
Pd2 Br5 1.725(6) . ?
Pd2 Br5 2.250(6) 2_755 ?
Pd2 Pd2 2.823(6) 2_755 ?
Br5 Pd2 2.250(6) 2_755 ?
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
Br2 Ag1 P4 C37 -10.9(5) . . . . ?
Br3 Ag1 P4 C37 -175.8(5) . . . . ?
Pd2 Ag1 P4 C37 68.4(6) . . . . ?
Br2 Ag1 P4 C31 114.3(5) . . . . ?
Br3 Ag1 P4 C31 -50.6(5) . . . . ?
Pd2 Ag1 P4 C31 -166.4(5) . . . . ?
Br2 Ag1 P4 C6 -130.6(4) . . . . ?
Br3 Ag1 P4 C6 64.5(4) . . . . ?
Pd2 Ag1 P4 C6 -51.3(5) . . . . ?
P2 Pd1 P1 C13 -110.4(5) . . . . ?
P3 Pd1 P1 C13 -51.3(6) . . . . ?
Br1 Pd1 P1 C13 77.9(5) . . . . ?
P2 Pd1 P1 C7 129.6(5) . . . . ?
P3 Pd1 P1 C7 -171.3(5) . . . . ?
Br1 Pd1 P1 C7 -42.1(5) . . . . ?
P2 Pd1 P1 C2 3.5(5) . . . . ?
P3 Pd1 P1 C2 62.6(6) . . . . ?
Br1 Pd1 P1 C2 -168.2(5) . . . . ?
P2 Pd1 P3 C25 -137.1(7) . . . . ?
P1 Pd1 P3 C25 163.8(7) . . . . ?
Br1 Pd1 P3 C25 34.5(7) . . . . ?
P2 Pd1 P3 C19 104.1(5) . . . . ?
P1 Pd1 P3 C19 45.0(6) . . . . ?
Br1 Pd1 P3 C19 -84.4(5) . . . . ?
P2 Pd1 P3 C4 -9.5(5) . . . . ?
P1 Pd1 P3 C4 -68.5(6) . . . . ?
Br1 Pd1 P3 C4 162.1(5) . . . . ?
P3 Pd1 P2 C1 -140.7(5) . . . . ?
P1 Pd1 P2 C1 20.1(5) . . . . ?
Br1 Pd1 P2 C1 122.5(8) . . . . ?
P3 Pd1 P2 C5 104.9(5) . . . . ?
P1 Pd1 P2 C5 -94.4(4) . . . . ?
Br1 Pd1 P2 C5 8.0(9) . . . . ?
P3 Pd1 P2 C3 -14.1(5) . . . . ?
P1 Pd1 P2 C3 146.6(5) . . . . ?
Br1 Pd1 P2 C3 -111.0(8) . . . . ?
C5 P2 C1 C2 70.2(9) . . . . ?
C3 P2 C1 C2 -169.9(8) . . . . ?
Pd1 P2 C1 C2 -45.5(9) . . . . ?
C1 P2 C3 C4 164.3(9) . . . . ?
C5 P2 C3 C4 -77.7(10) . . . . ?
Pd1 P2 C3 C4 40.5(10) . . . . ?
C41 C42 C37 C38 -2(2) . . . . ?
C41 C42 C37 P4 176.3(14) . . . . ?
C31 P4 C37 C38 101.7(13) . . . . ?
C6 P4 C37 C38 -6.5(13) . . . . ?
Ag1 P4 C37 C38 -126.4(11) . . . . ?
C31 P4 C37 C42 -76.7(13) . . . . ?
C6 P4 C37 C42 175.1(11) . . . . ?
Ag1 P4 C37 C42 55.2(12) . . . . ?
C35 C36 C31 C32 -5(3) . . . . ?
C35 C36 C31 P4 176.1(17) . . . . ?
C37 P4 C31 C36 -42.7(16) . . . . ?
C6 P4 C31 C36 69.7(15) . . . . ?
Ag1 P4 C31 C36 -172.1(13) . . . . ?
C37 P4 C31 C32 138.4(12) . . . . ?
C6 P4 C31 C32 -109.2(12) . . . . ?
Ag1 P4 C31 C32 9.0(13) . . . . ?
C25 P3 C19 C20 -124.4(15) . . . . ?
C4 P3 C19 C20 122.1(14) . . . . ?
Pd1 P3 C19 C20 7.2(15) . . . . ?
C25 P3 C19 C24 53.8(14) . . . . ?
C4 P3 C19 C24 -59.7(14) . . . . ?
Pd1 P3 C19 C24 -174.6(11) . . . . ?
C38 C39 C40 C41 0(3) . . . . ?
P2 C1 C2 P1 48.6(11) . . . . ?
C13 P1 C2 C1 80.7(11) . . . . ?
C7 P1 C2 C1 -166.3(9) . . . . ?
Pd1 P1 C2 C1 -32.2(11) . . . . ?
C17 C18 C13 C14 0(2) . . . . ?
C17 C18 C13 P1 178.0(13) . . . . ?
C7 P1 C13 C18 68.8(12) . . . . ?
C2 P1 C13 C18 -176.2(11) . . . . ?
Pd1 P1 C13 C18 -62.0(11) . . . . ?
C7 P1 C13 C14 -113.5(12) . . . . ?
C2 P1 C13 C14 1.5(13) . . . . ?
Pd1 P1 C13 C14 115.8(11) . . . . ?
C13 C18 C17 C16 0(3) . . . . ?
C37 P4 C6 C5 -179.0(8) . . . . ?
C31 P4 C6 C5 70.5(10) . . . . ?
Ag1 P4 C6 C5 -55.2(9) . . . . ?
P2 C3 C4 P3 -48.2(11) . . . . ?
C25 P3 C4 C3 173.1(9) . . . . ?
C19 P3 C4 C3 -76.7(11) . . . . ?
Pd1 P3 C4 C3 36.9(10) . . . . ?
C13 P1 C7 C8 -1.0(16) . . . . ?
C2 P1 C7 C8 -115.1(15) . . . . ?
Pd1 P1 C7 C8 119.0(14) . . . . ?
C13 P1 C7 C12 175.0(17) . . . . ?
C2 P1 C7 C12 60.9(18) . . . . ?
Pd1 P1 C7 C12 -64.9(18) . . . . ?
C9 C10 C11 C12 2(4) . . . . ?
P4 C6 C5 P2 -175.2(7) . . . . ?
C1 P2 C5 C6 51.6(11) . . . . ?
C3 P2 C5 C6 -71.5(11) . . . . ?
Pd1 P2 C5 C6 168.5(8) . . . . ?
C12 C7 C8 C9 6(3) . . . . ?
P1 C7 C8 C9 -177.9(14) . . . . ?
C42 C37 C38 C39 0(2) . . . . ?
P4 C37 C38 C39 -177.9(11) . . . . ?
C40 C39 C38 C37 1(2) . . . . ?
C18 C13 C14 C15 2(2) . . . . ?
P1 C13 C14 C15 -175.5(13) . . . . ?
C13 C14 C15 C16 -4(3) . . . . ?
C36 C31 C32 C33 3(2) . . . . ?
P4 C31 C32 C33 -178.5(14) . . . . ?
C35 C34 C33 C32 0(4) . . . . ?
C31 C32 C33 C34 0(3) . . . . ?
C37 C42 C41 C40 3(3) . . . . ?
C39 C40 C41 C42 -1(3) . . . . ?
C18 C17 C16 C15 -1(3) . . . . ?
C14 C15 C16 C17 4(3) . . . . ?
C33 C34 C35 C36 -2(4) . . . . ?
C31 C36 C35 C34 5(4) . . . . ?
P4 Ag1 Br2 Pd2 154.14(17) . . . . ?
Br3 Ag1 Br2 Pd2 -38.33(15) . . . . ?
P4 Ag1 Br3 Pd2 -157.99(18) . . . . ?
Br2 Ag1 Br3 Pd2 35.57(14) . . . . ?
C29 C28 C27 C26 2(4) . . . . ?
C19 P3 C25 C26 29.8(16) . . . . ?
C4 P3 C25 C26 142.0(15) . . . . ?
Pd1 P3 C25 C26 -90.3(15) . . . . ?
C19 P3 C25 C30 -147.7(11) . . . . ?
C4 P3 C25 C30 -35.6(12) . . . . ?
Pd1 P3 C25 C30 92.2(12) . . . . ?
C20 C19 C24 C23 2(3) . . . . ?
P3 C19 C24 C23 -175.9(17) . . . . ?
C30 C25 C26 C27 0(3) . . . . ?
P3 C25 C26 C27 -177.4(15) . . . . ?
C28 C27 C26 C25 0(4) . . . . ?
C26 C25 C30 C29 -1(2) . . . . ?
P3 C25 C30 C29 176.2(13) . . . . ?
C19 C24 C23 C22 -5(3) . . . . ?
C21 C22 C23 C24 5(4) . . . . ?
C24 C19 C20 C21 0(3) . . . . ?
P3 C19 C20 C21 177.8(17) . . . . ?
C23 C22 C21 C20 -3(4) . . . . ?
C19 C20 C21 C22 1(4) . . . . ?
C10 C11 C12 C7 4(4) . . . . ?
C8 C7 C12 C11 -8(4) . . . . ?
P1 C7 C12 C11 175(2) . . . . ?
C27 C28 C29 C30 -4(4) . . . . ?
C25 C30 C29 C28 3(3) . . . . ?
C11 C10 C9 C8 -4(3) . . . . ?
C7 C8 C9 C10 0(3) . . . . ?
Ag1 Br2 Pd2 Br5 -126.2(3) . . . . ?
Ag1 Br2 Pd2 Br5 -46.5(5) . . . 2_755 ?
Ag1 Br2 Pd2 Br4 164.7(2) . . . . ?
Ag1 Br2 Pd2 Br3 34.84(13) . . . . ?
Ag1 Br2 Pd2 Pd2 -111.20(17) . . . 2_755 ?
Pd2 Br4 Pd2 Br5 53.7(2) 2_755 . . . ?
Br5 Br4 Pd2 Br5 93.8(3) 2_755 . . . ?
Pd2 Br4 Pd2 Br5 -40.07(16) 2_755 . . 2_755 ?
Br5 Br4 Pd2 Br5 -93.8(3) . . . 2_755 ?
Pd2 Br4 Pd2 Br2 126.6(3) 2_755 . . . ?
Br5 Br4 Pd2 Br2 72.9(3) . . . . ?
Br5 Br4 Pd2 Br2 166.7(3) 2_755 . . . ?
Pd2 Br4 Pd2 Ag1 -103.8(6) 2_755 . . . ?
Br5 Br4 Pd2 Ag1 -157.6(7) . . . . ?
Br5 Br4 Pd2 Ag1 -63.8(6) 2_755 . . . ?
Pd2 Br4 Pd2 Br3 -103.7(2) 2_755 . . . ?
Br5 Br4 Pd2 Br3 -157.4(3) . . . . ?
Br5 Br4 Pd2 Br3 -63.6(2) 2_755 . . . ?
Br5 Br4 Pd2 Pd2 -53.7(2) . . . 2_755 ?
Br5 Br4 Pd2 Pd2 40.07(16) 2_755 . . 2_755 ?
P4 Ag1 Pd2 Br5 -26.9(5) . . . . ?
Br2 Ag1 Pd2 Br5 66.4(3) . . . . ?
Br3 Ag1 Pd2 Br5 -154.8(3) . . . . ?
P4 Ag1 Pd2 Br5 68.7(4) . . . 2_755 ?
Br2 Ag1 Pd2 Br5 162.0(2) . . . 2_755 ?
Br3 Ag1 Pd2 Br5 -59.1(2) . . . 2_755 ?
P4 Ag1 Pd2 Br2 -93.3(3) . . . . ?
Br3 Ag1 Pd2 Br2 138.86(17) . . . . ?
P4 Ag1 Pd2 Br4 128.1(5) . . . . ?
Br2 Ag1 Pd2 Br4 -138.6(6) . . . . ?
Br3 Ag1 Pd2 Br4 0.2(6) . . . . ?
P4 Ag1 Pd2 Br3 127.8(3) . . . . ?
Br2 Ag1 Pd2 Br3 -138.86(17) . . . . ?
P4 Ag1 Pd2 Pd2 36.0(4) . . . 2_755 ?
Br2 Ag1 Pd2 Pd2 129.3(2) . . . 2_755 ?
Br3 Ag1 Pd2 Pd2 -91.9(2) . . . 2_755 ?
Ag1 Br3 Pd2 Br5 84.6(6) . . . . ?
Ag1 Br3 Pd2 Br5 118.4(2) . . . 2_755 ?
Ag1 Br3 Pd2 Br2 -36.12(14) . . . . ?
Ag1 Br3 Pd2 Br4 -179.93(17) . . . . ?
Ag1 Br3 Pd2 Pd2 120.25(10) . . . 2_755 ?
Br5 Pd2 Br5 Pd2 11.4(3) 2_755 . . 2_755 ?
Br2 Pd2 Br5 Pd2 167.31(18) . . . 2_755 ?
Br4 Pd2 Br5 Pd2 -57.76(19) . . . 2_755 ?
Ag1 Pd2 Br5 Pd2 114.89(19) . . . 2_755 ?
Br3 Pd2 Br5 Pd2 43.4(7) . . . 2_755 ?
Br5 Pd2 Br5 Br4 69.18(19) 2_755 . . . ?
Br2 Pd2 Br5 Br4 -134.93(15) . . . . ?
Ag1 Pd2 Br5 Br4 172.7(2) . . . . ?
Br3 Pd2 Br5 Br4 101.2(6) . . . . ?
Pd2 Pd2 Br5 Br4 57.76(19) 2_755 . . . ?
Pd2 Br4 Br5 Pd2 -104.2(3) 2_755 . . . ?
Br5 Br4 Br5 Pd2 -60.3(2) 2_755 . . . ?
Pd2 Br4 Br5 Pd2 104.2(3) . . . 2_755 ?
Br5 Br4 Br5 Pd2 43.91(17) 2_755 . . 2_755 ?
