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_4311203
_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            'C14 H37 Cl3 Co2 N8 O13 Pt S5'
_chemical_formula_weight         1105.11
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.963(2)
_cell_length_b                   16.662(2)
_cell_length_c                   13.979(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.5
_cell_volume                     3485.2(7)
_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      293.2
_diffrn_measurement_device       'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.02312
_diffrn_orient_matrix_UB_12      -0.04091
_diffrn_orient_matrix_UB_13      0.04613
_diffrn_orient_matrix_UB_21      0.00904
_diffrn_orient_matrix_UB_22      -0.04299
_diffrn_orient_matrix_UB_23      -0.04897
_diffrn_orient_matrix_UB_31      0.06205
_diffrn_orient_matrix_UB_32      -0.00898
_diffrn_orient_matrix_UB_33      0.02432
_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  0.000
_diffrn_reflns_av_sigmaI/netI    0.068
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4478
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         2.34
_diffrn_standards_decay_%        -0.80
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.525
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.891
_exptl_absorpt_correction_type   '\y scans(North,Phillips & Mathews,1968)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.106
_exptl_crystal_density_meas      ?
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_exptl_crystal_F_000             2176.00
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.90
_refine_diff_density_min         -0.72
_refine_ls_extinction_coef       0.00018(3)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_obs   1.655
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     416
_refine_ls_number_reflns         3706
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0382
_refine_ls_shift/esd_max         0.2270
_refine_ls_shift/esd_mean        0.0150
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00000025|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0278
_reflns_number_observed          3706
_reflns_number_total             4478
_reflns_observed_criterion       >2.0sigma(I)
_cod_data_source_file            ic0303338_2.cif
_cod_data_source_block           DD-[4](ClO4)3*H2O
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.00000025|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) + 0.00000025|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3485.3(6)
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C14 H37 Cl3 Co2 N8 O13 Pt S5 '
_cod_database_code               4311203