Sulfur-Bridged CoIIIPtIICoIII Trinuclear Complexes with Mixed Aliphatic and Aromatic Thiolate Ligands: Effect of Nonbridging Ligands on the Homochiral Linkage of Cobalt(III) Octahedrons by Platinum(II)
Masakazu Hirotsu; Ryota Endo; Takashi Yoshimura; Takumi Konno; Inorganic Chemistry 43 (2004) 4406–4414; doi:10.1021/ic0303338

data_4311202
_publ_contact_author
;
Takumi Konno
Department of Chemistry, Graduate School of Science, Osaka University,
Toyonaka, Osaka 560-0043, Japan
;
_publ_contact_author_email       ' konno@ch.wani.osaka-u.ac.jp'
_publ_contact_author_fax         '+ 81-6-6850-5785'
_publ_contact_author_phone       '+ 81-6-6850-5765'
_publ_section_title
;
 Sulfur-Bridged CoIIIPtIICoIII Trinuclear Complexes with Mixed Aliphatic
 and Aromatic Thiolate Ligands: Effect of Nonbridging Ligands on the
 Homochiral Linkage of Cobalt(III) Octahedrons by Platinum(II)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4406
_journal_page_last               4414
_journal_paper_doi               10.1021/ic0303338
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C9 H20 Cl Co N3 O2 Pt0.5 S3'
_chemical_formula_weight         490.39
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.05(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.200(2)
_cell_length_b                   15.870(3)
_cell_length_c                   14.529(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295.2
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      14.1
_cell_volume                     1659.1(6)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      295.2
_diffrn_measurement_device       'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.01596
_diffrn_orient_matrix_UB_12      -0.03355
_diffrn_orient_matrix_UB_13      0.05744
_diffrn_orient_matrix_UB_21      0.13569
_diffrn_orient_matrix_UB_22      -0.01365
_diffrn_orient_matrix_UB_23      0.00214
_diffrn_orient_matrix_UB_31      0.02553
_diffrn_orient_matrix_UB_32      0.05156
_diffrn_orient_matrix_UB_33      0.03794
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_av_sigmaI/netI    0.082
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            4106
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.57
_diffrn_standards_decay_%        -10.41
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.751
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.731
_exptl_absorpt_correction_type   '\y scans(North,Phillips & Mathews,1968)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.963
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             968.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.71
_refine_diff_density_min         -1.14
_refine_ls_extinction_coef       0.00077(8)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_obs   1.587
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     281
_refine_ls_number_reflns         2787
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0365
_refine_ls_shift/esd_max         0.1470
_refine_ls_shift/esd_mean        0.0080
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.000004|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0304
_reflns_number_observed          2787
_reflns_number_total             3814
_reflns_observed_criterion       >2.0sigma(I)
_cod_data_source_file            ic0303338_1.cif
_cod_data_source_block           DL-[1]Cl2*4H2O
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.000004|Fo|^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(Fo) + 0.000004|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1659.1(5)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C9 H20 Cl Co N3 O2 Pt0.50 S3 '
_cod_database_code               4311202