Integration of Alkyl-Substituted Bipyridyl Benzenedithiolato Platinum(II) Complexes with Cadmium(II) Ion via Selective Dative Bond Formation
Hirotaka Honda; Takeshi Matsumoto; Misaki Sakamoto; Atsushi Kobayashi; Ho-Chol Chang; Masako Kato; Inorganic Chemistry 52 (2013) 4324–4334; doi:10.1021/ic302352k

data_4334444
_publ_contact_author_email       chang@sci.hokudai.ac.jp
_publ_contact_author_fax         +81-11-706-3447
_publ_contact_author_name        'Ho-Chol Chang'
_publ_contact_author_phone       +81-11-706-3479
_publ_section_title
;
 Integration of Alkyl-Substituted Bipyridyl Benzenedithiolato Platinum(II)
 Complexes with Cadmium(II) Ion via Selective Dative Bond Formation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4324
_journal_page_last               4334
_journal_paper_doi               10.1021/ic302352k
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C126 H194 Cd Cl2 N6 O9 Pt3 S6'
_chemical_formula_sum            'C126 H194 Cd Cl2 N6 O9 Pt3 S6'
_chemical_formula_weight         2897.90
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
_cell_formula_units_Z            6
_cell_length_a                   17.1836(9)
_cell_length_b                   17.1836(9)
_cell_length_c                   83.273(6)
_cell_measurement_reflns_used    8380
_cell_measurement_temperature    213
_cell_measurement_theta_max      27.60
_cell_measurement_theta_min      3.02
_cell_volume                     21294(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      213
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.730
_diffrn_measured_fraction_theta_max 0.730
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0856
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       75
_diffrn_reflns_limit_l_min       -108
_diffrn_reflns_number            15609
_diffrn_reflns_theta_full        27.61
_diffrn_reflns_theta_max         27.60
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.260
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_description       prism
_exptl_crystal_F_000             8856.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         2.910
_refine_diff_density_min         -1.950
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     466
_refine_ls_number_reflns         8046
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0861
_refine_ls_shift/su_max          0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1857P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2754
_reflns_number_gt                5319
_reflns_number_total             8046
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic302352k_si_002_1.cif
_cod_data_source_block           complex4
_cod_original_sg_symbol_H-M      'R -3:H'
_cod_database_code               4334444