Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates
Marc-Etienne Moret; Peter Chen; Journal of the American Chemical Society 131 (2009) 5675–5690; doi:10.1021/ja900449y

data_4104224
_publ_contact_author_name        'B. Schweizer'
_publ_section_title
;
 Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal
 Triflates
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5675
_journal_page_last               5690
_journal_paper_doi               10.1021/ja900449y
_journal_volume                  131
_journal_year                    2009
_chemical_compound_source        'LOC laboratory'
_chemical_formula_moiety         'C56 H44 Ag2 Cl8 N4 Pt2 , C F3 O3 S '
_chemical_formula_sum            'C57 H44 Ag2 Cl8 F3 N4 O3 Pt2 S'
_chemical_formula_weight         1811.586
_chemical_name_systematic
;
 ?
;
_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_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           maXus
_cell_angle_alpha                90.00
_cell_angle_beta                 95.2584(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9459(3)
_cell_length_b                   31.7926(5)
_cell_length_c                   15.7455(3)
_cell_measurement_temperature    223
_cell_volume                     5954.8(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_orient_matrix_type       X=UH
_diffrn_orient_matrix_UB_11      0.08211
_diffrn_orient_matrix_UB_12      0.00097
_diffrn_orient_matrix_UB_13      -0.01799
_diffrn_orient_matrix_UB_21      0.00236
_diffrn_orient_matrix_UB_22      0.02885
_diffrn_orient_matrix_UB_23      0.01231
_diffrn_orient_matrix_UB_31      0.01846
_diffrn_orient_matrix_UB_32      -0.02523
_diffrn_orient_matrix_UB_33      0.05559
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           ' MoK\a'
_diffrn_radiation_wavelength_id  all
_diffrn_reflns_av_R_equivalents  0.086
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20652
_diffrn_reflns_theta_full        27.07
_diffrn_reflns_theta_max         27.07
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    5.46
_exptl_absorpt_correction_T_max  0.945
_exptl_absorpt_correction_T_min  0.644
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
 Sortav (Blessing 1995)
;
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    2.021
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3280.0
_exptl_crystal_size_max          .2
_exptl_crystal_size_mid          .1
_exptl_crystal_size_min          .01
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.251
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     646
_refine_ls_number_reflns         10643
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.251
_refine_ls_R_factor_all          0.1143
_refine_ls_R_factor_gt           0.0776
_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/[\s^2^(Fo^2^)+ (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2210
_reflns_number_gt                7542
_reflns_number_total             10643
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja900449y_si_005.cif
_cod_data_source_block           global
_cod_original_sg_symbol_H-M      'P 21/c        '
_cod_original_formula_sum        'C57 H44 Ag2 Cl8 F3 N4 O3 Pt2 S '
_cod_database_code               4104224