cis-to-trans Isomerization Promoted by Pyridine as a Crucial Step for the Selective Preparation oftrans-Pt(SAr)(Cl)(PAr‘3)2
Yamashita, Fumikazu; Kuniyasu, Hitoshi; Terao, Jun; Kambe, Nobuaki; Inorganic Chemistry 45 (2006) 1399–1404; doi:10.1021/ic051780l

data_4331894
_publ_section_title
;
 cis-to-trans Isomerization Promoted by Pyridine as a Crucial Step for the
 Selective Preparation oftrans-Pt(SAr)(Cl)(PAr&#x2018;3)2
;
_journal_issue                   3
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1399
_journal_page_last               1404
_journal_paper_doi               10.1021/ic051780l
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C43 H36 Br Cl3 P2 Pt S'
_chemical_formula_weight         1028.12
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.714(2)
_cell_angle_beta                 88.574(2)
_cell_angle_gamma                79.061(3)
_cell_formula_units_Z            2
_cell_length_a                   11.6513(5)
_cell_length_b                   12.5267(8)
_cell_length_c                   14.5392(8)
_cell_measurement_reflns_used    15900
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.2
_cell_volume                     2027.32(19)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9935
_diffrn_measured_fraction_theta_max 0.9935
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19612
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    4.794
_exptl_absorpt_correction_T_max  0.487
_exptl_absorpt_correction_T_min  0.236
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.750
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         2.66
_refine_diff_density_min         -1.87
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.913
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     460
_refine_ls_number_reflns         8358
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.0115
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1149
_reflns_number_gt                8358
_reflns_number_total             9213
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic051780lsup1.cif
_cod_data_source_block           yama4
_cod_original_cell_volume        2027.3(2)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C43 H36 Br Cl3 P2 Pt S '
_cod_database_code               4331894