Synthesis, Structure, and Reactivity of Arylchlorobis(dialkyl sulfide)platinum(II) Complexes
Ola F. Wendt; Åke Oskarsson; Johann G. Leipoldt; Lars I. Elding; Inorganic Chemistry 36 (1997) 4514–4519; doi:10.1021/ic970189o

data_4323589
_publ_section_title
;
 Synthesis, Structure, and Reactivity of Arylchlorobis(dialkyl
 sulfide)platinum(II) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4514
_journal_page_last               4519
_journal_paper_doi               10.1021/ic970189o
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C11 H19 Cl O Pt S2'
_chemical_formula_weight         461.93
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Tue Jun 17 18:03:43 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 96.56(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.879(4)
_cell_length_b                   8.128(2)
_cell_length_c                   19.460(5)
_cell_measurement_reflns_used    46
_cell_measurement_temperature    298
_cell_measurement_theta_max      16.99
_cell_measurement_theta_min      6.65
_cell_volume                     1552.3(8)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'CAD 4'
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      -0.09505
_diffrn_orient_matrix_UB_12      0.04007
_diffrn_orient_matrix_UB_13      -0.01322
_diffrn_orient_matrix_UB_21      -0.03364
_diffrn_orient_matrix_UB_22      -0.07562
_diffrn_orient_matrix_UB_23      0.03503
_diffrn_orient_matrix_UB_31      0.01422
_diffrn_orient_matrix_UB_32      0.08889
_diffrn_orient_matrix_UB_33      0.03591
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  7.35
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            7219
_diffrn_reflns_theta_max         26.98
_diffrn_standards_decay_%        -7.92
_diffrn_standards_interval_count 120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.424
_exptl_absorpt_correction_T_max  0.705
_exptl_absorpt_correction_T_min  0.147
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   Coppens_numerical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.976
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             880.00
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.81
_refine_diff_density_min         -0.61
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.400
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         1743
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0300
_refine_ls_shift/esd_max         0.0400
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0280
_reflns_number_observed          1743
_reflns_number_total             7219
_reflns_observed_criterion       3.00
_cod_data_source_file            ic970189o.cif
_cod_data_source_block           compound5IC970189O
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        C11H19ClOPtS2
_cod_database_code               4323589