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_4334445
_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         'C48 H58 Cd Cl2 N4 O9 Pt2 S4'
_chemical_formula_sum            'C48 H58 Cd Cl2 N4 O9 Pt2 S4'
_chemical_formula_weight         1536.74
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                104.6430(16)
_cell_angle_beta                 91.6930(13)
_cell_angle_gamma                107.7570(13)
_cell_formula_units_Z            2
_cell_length_a                   12.7905(15)
_cell_length_b                   14.9908(19)
_cell_length_c                   15.3746(18)
_cell_measurement_reflns_used    8687
_cell_measurement_temperature    223
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.06
_cell_volume                     2698.0(6)
_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    'SIR2004 (Burla, et al., 2005)'
_diffrn_ambient_temperature      223
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.950
_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  0.0465
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21890
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.852
_exptl_absorpt_correction_T_max  0.626
_exptl_absorpt_correction_T_min  0.381
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.891
_exptl_crystal_description       plate
_exptl_crystal_F_000             1496.00
_exptl_crystal_size_max          0.370
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.710
_refine_diff_density_min         -3.730
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     631
_refine_ls_number_reflns         11779
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0516
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0671P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1528
_reflns_number_gt                8201
_reflns_number_total             11779
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic302352k_si_002_2.cif
_cod_data_source_block           complex3
_cod_database_code               4334445