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_4104223
_publ_contact_author_email       schweizer@org.chem.ethz.ch
_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 ETH Zurich'
_chemical_formula_moiety         'C57 H44 Cl8 Cu F3 N4 O3 Pt2 S '
_chemical_formula_sum            'C57 H44 Cl8 Cu F3 N4 O3 Pt2 S'
_chemical_formula_weight         1659.406
_chemical_name_systematic
;
 ?
;
_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_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           maXus
_cell_angle_alpha                90.00
_cell_angle_beta                 110.0366(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.8903(4)
_cell_length_b                   18.8114(5)
_cell_length_c                   17.0905(3)
_cell_measurement_reflns_used    11606
_cell_measurement_temperature    203
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.425
_cell_volume                     6007.6(2)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       KappaCCD
_computing_data_reduction
'Denzo and Scalepak (Otwinowski & Minor, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
'SIR97(Altomare et al., J. Appl. Cryst.,1999)'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       KappaCCD
_diffrn_measurement_method       CCD
_diffrn_orient_matrix_type       X=UH
_diffrn_orient_matrix_UB_11      -0.00787
_diffrn_orient_matrix_UB_12      -0.04890
_diffrn_orient_matrix_UB_13      -0.02027
_diffrn_orient_matrix_UB_21      -0.00786
_diffrn_orient_matrix_UB_22      -0.01905
_diffrn_orient_matrix_UB_23      0.04900
_diffrn_orient_matrix_UB_31      -0.06036
_diffrn_orient_matrix_UB_32      -0.00829
_diffrn_orient_matrix_UB_33      -0.01291
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           ' MoK\a'
_diffrn_radiation_wavelength_id  all
_diffrn_reflns_av_R_equivalents  0.074
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18502
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         2.54
_exptl_absorpt_coefficient_mu    5.443
_exptl_absorpt_correction_T_max  0.601
_exptl_absorpt_correction_T_min  0.449
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.835
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Cube
_exptl_crystal_F_000             3208.0
_exptl_crystal_size_max          .2
_exptl_crystal_size_mid          .14
_exptl_crystal_size_min          .1
_refine_diff_density_max         1.069
_refine_diff_density_min         -1.711
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.860
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         6866
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      0.860
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.007
_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_gt          0.1085
_refine_ls_wR_factor_ref         0.1218
_reflns_number_gt                5768
_reflns_number_total             6866
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja900449y_si_004.cif
_cod_data_source_block           global
_cod_original_sg_symbol_H-M      'C 2/c         '
_cod_original_formula_sum        'C57 H44 Cl8 Cu F3 N4 O3 Pt2 S '
_cod_database_code               4104223