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_4104226
_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         'C34 H28 Cl10 Cu3 F9 N2 O9 Pt S3 '
_chemical_formula_sum            'C34 H28 Cl10 Cu3 F9 N2 O9 Pt S3'
_chemical_formula_weight         1616.035
_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_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           maXus
_cell_angle_alpha                77.4279(11)
_cell_angle_beta                 80.5915(10)
_cell_angle_gamma                69.5194(9)
_cell_formula_units_Z            2
_cell_length_a                   12.6180(2)
_cell_length_b                   12.8711(3)
_cell_length_c                   17.6498(4)
_cell_measurement_reflns_used    73165
_cell_measurement_temperature    223
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.753
_cell_volume                     2608.91(10)
_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 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device       KappaCCD
_diffrn_measurement_method       CCD
_diffrn_orient_matrix_type       X=UH
_diffrn_orient_matrix_UB_11      -0.01759
_diffrn_orient_matrix_UB_12      0.00970
_diffrn_orient_matrix_UB_13      -0.08258
_diffrn_orient_matrix_UB_21      0.08137
_diffrn_orient_matrix_UB_22      0.01737
_diffrn_orient_matrix_UB_23      0.01300
_diffrn_orient_matrix_UB_31      0.00221
_diffrn_orient_matrix_UB_32      -0.05825
_diffrn_orient_matrix_UB_33      -0.00158
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           ' MoK\a'
_diffrn_radiation_wavelength_id  all
_diffrn_reflns_av_R_equivalents  0.0947
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            36432
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    4.59
_exptl_absorpt_correction_T_max  0.883
_exptl_absorpt_correction_T_min  0.443
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    2.057
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1564.0
_exptl_crystal_size_max          .2
_exptl_crystal_size_mid          .06
_exptl_crystal_size_min          .03
_refine_diff_density_max         2.585
_refine_diff_density_min         -1.588
_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     642
_refine_ls_number_reflns         11895
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0522
_refine_ls_shift/su_max          0.199
_refine_ls_shift/su_mean         0.005
_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          0.1432
_refine_ls_wR_factor_ref         0.1555
_reflns_number_gt                9986
_reflns_number_total             11895
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja900449y_si_007.cif
_cod_data_source_block           global
_cod_original_cell_volume        2608.91(9)
_cod_original_sg_symbol_H-M      'P -1          '
_cod_original_formula_sum        'C34 H28 Cl10 Cu3 F9 N2 O9 Pt S3 '
_cod_database_code               4104226