Synthesis, Characterization, and Chiral Behavior of S-Bridged CoIIIPtIICoIII Trinuclear Complexes Composed of Bis(thiolato)-Type Octahedral Units cis(S)-[Co(aet)2(en)]+ and/or trans(N)-[Co(d-pen-N,O,S)2]- (aet = 2-Aminoethanethiolate, d-pen =d-Penicillaminate)
Hirokazu Honda; Takashi Yoshimura; Masakazu Hirotsu; Tatsuya Kawamoto; Takumi Konno; Inorganic Chemistry 41 (2002) 2229–2237; doi:10.1021/ic010696c

data_4317841
_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
;
 Synthesis, Characterization, and Chiral Behavior of S-Bridged
 CoIIIPtIICoIII Trinuclear Complexes Composed of Bis(thiolato)-Type
 Octahedral Units cis(S)-[Co(aet)2(en)]+ and/or
 trans(N)-[Co(d-pen-N,O,S)2]- (aet = 2-Aminoethanethiolate, d-pen
 =d-Penicillaminate)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2229
_journal_page_last               2237
_journal_paper_doi               10.1021/ic010696c
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C12 H52 Cl4 Co2 N8 O6 Pt S4'
_chemical_formula_weight         987.60
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.51(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.983(3)
_cell_length_b                   19.857(4)
_cell_length_c                   12.949(3)
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_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.5
_cell_volume                     3532.8(14)
_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
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_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
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_diffrn_orient_matrix_UB_13      -0.07545
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_diffrn_orient_matrix_UB_32      -0.00232
_diffrn_orient_matrix_UB_33      0.03397
_diffrn_radiation_detector       'scintillation counter'
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_diffrn_radiation_source         'Rigaku sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_av_sigmaI/netI    0.059
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4217
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         2.04
_diffrn_standards_decay_%        -12.59
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.440
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.645
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            ' red-brown '
_exptl_crystal_density_diffrn    1.857
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1968.00
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.39
_refine_diff_density_min         -1.87
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.331
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     169
_refine_ls_number_reflns         3207
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0376
_refine_ls_shift/esd_max         0.0074
_refine_ls_shift/esd_mean        0.0012
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0435
_reflns_number_gt                3207
_reflns_number_total             4067
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic010696c_1.cif
_cod_data_source_block           DD/LL-[1]Cl4.6H2O([Pt{Co(aet)2(en)}2]Cl4.6H2O)
_cod_depositor_comments
;
The following automatic conversions were performed:
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file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

'_atom_type_scat_imag'
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Automatic conversion script
Id: cif_correct_tags 3137 2015-03-23 15:08:43Z antanas 
;
_cod_original_cell_volume        3532(1)
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_original_formula_sum        'C12 H52 Cl4 Co2 N8 O6 Pt S4 '
_cod_database_code               4317841