Metal-Dependent and Redox-Selective Coordination Behaviors of Metalloligand [MoV(1,2-benzenedithiolato)3]-with CuI/AgI Ions
Takeshi Matsumoto; Ho-Chol Chang; Atsushi Kobayashi; Kohei Uosaki; Masako Kato; Inorganic Chemistry 50 (2011) 2859–2869; doi:10.1021/ic102070c

data_4324754
_publ_contact_author_email       mkato@sci.hokudai.ac.jp
_publ_contact_author_fax         +81-11-706-3447
_publ_contact_author_name        'Masako Kato'
_publ_contact_author_phone       +81-11-706-3817
_publ_section_title
;
 Metal-Dependent and Redox-Selective Coordination Behaviors of
 Metalloligand [MoV(1,2-benzenedithiolato)3]-with CuI/AgI Ions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2859
_journal_page_last               2869
_journal_paper_doi               10.1021/ic102070c
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C18 H12 Ag Mo S6 '
_chemical_formula_sum            'C18 H12 Ag Mo S6'
_chemical_formula_weight         624.46
_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             2010-03-16
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 104.8072(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.4145(17)
_cell_length_b                   7.2458(9)
_cell_length_c                   22.323(3)
_cell_measurement_reflns_used    6242
_cell_measurement_temperature    223.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     1941.3(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_radiation_type           'Mo K?'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.015
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            15339
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.297
_exptl_absorpt_correction_T_max  0.912
_exptl_absorpt_correction_T_min  0.786
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.136
_exptl_crystal_description       plate
_exptl_crystal_F_000             1220.00
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.81
_refine_diff_density_min         -0.93
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     236
_refine_ls_number_reflns         4389
_refine_ls_R_factor_gt           0.0227
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[?^2^(Fo^2^)+(0.0261P)^2^+2.2378P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0567
_reflns_number_gt                4176
_reflns_number_total             4389
_reflns_threshold_expression     F^2^>2.0?(F^2^)
_cod_data_source_file            ic102070c_si_003.cif
_cod_data_source_block           '__Ex74_MoAg_c'
_cod_original_formula_sum        'C18 H12 Ag Mo S6 '
_cod_database_code               4324754