The First Examples of Platinum(II)-Cadmium(II) Bonds: The Role of Strong Field Ligands in Making Dative Pt\ρightarrowM Bonds
Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito; Journal of the American Chemical Society 121 (1999) 7405–7406; doi:10.1021/ja991053n

data_4116491
_publ_contact_author_address
;
Department of Chemistry, Graduate School of Science,
Tohoku University,Sendai  980-8578, JAPAN
;
_publ_contact_author_email       ' Ito@agnus.chem.tohoku.ac.jp '
_publ_contact_author_fax         ' +81 22 217 6548 '
_publ_contact_author_name        ' Tasuku ITO '
_publ_contact_author_phone       ' +81 22 217 6544 '
_publ_section_title
;
 The First Examples of Platinum(II)-Cadmium(II) Bonds: The Role of Strong
 Field Ligands in Making Dative Pt\\rightarrowM Bonds
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7405
_journal_page_last               7406
_journal_paper_doi               10.1021/ja991053n
_journal_volume                  121
_journal_year                    1999
_chemical_formula_moiety         'C20 H34 Cd Cl2 N6 O8 Pt '
_chemical_formula_sum            'C20 H34 Cd Cl2 N6 O8 Pt'
_chemical_formula_weight         864.93
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_audit_creation_date             'Fri Mar  5 13:38:16 1999'
_audit_creation_method           'SHELX & manual'
_cell_angle_alpha                90
_cell_angle_beta                 120.944(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.966(2)
_cell_length_b                   11.314(1)
_cell_length_c                   16.582(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3373.6(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    ORTEP
_computing_structure_refinement  SHELXL-93
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10290
_diffrn_reflns_theta_max         27.52
_exptl_absorpt_coefficient_mu    4.960
_exptl_absorpt_correction_T_max  0.74593
_exptl_absorpt_correction_T_min  0.43175
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.703
_exptl_crystal_description       prizmatic
_exptl_crystal_F_000             1680.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.81
_refine_diff_density_min         -0.57
_refine_diff_density_rms         0.12
_refine_ls_abs_structure_Flack   0.00000
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.941
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         4472
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.941
_refine_ls_R_factor_all          0.0615
_refine_ls_R_factor_gt           0.0373
_refine_ls_shift/su_max          4.4300
_refine_ls_shift/su_mean         0.3950
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0451P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0876
_reflns_number_gt                4472
_reflns_number_total             6231
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja991053n_2.cif
_cod_data_source_block           '[PtMe2(bpy)][Cd(cyclen)](ClO4)2'
_cod_original_cell_volume        3373.7(5)
_cod_original_sg_symbol_H-M      'C 2 '
_cod_original_formula_sum        'C20 H34 Cd Cl2 N6 O8 Pt '
_cod_database_code               4116491