Interaction of SbCl52- and Thioether Groups at the Open Coordination Sites of Platinum(II) Diimine Complexes
Sayandev Chatterjee; Jeanette A. Krause; William B. Connick; Caroline Genre; Alexandre Rodrigue-Witchel; Christian Reber; Inorganic Chemistry 49 (2010) 2808–2815; doi:10.1021/ic9021917

data_4315151
_publ_contact_author_address
;     Department of Chemistry
      University of Cincinnati
      Cincinnati, OH 45221-0172 USA
;
_publ_contact_author_email       bill.connick@uc.edu
_publ_contact_author_fax         '513 556 9239'
_publ_contact_author_name        'Dr. William B. Connick'
_publ_contact_author_phone       '513 556 0148'
_publ_section_title
;
 Interaction of SbCl52- and Thioether Groups at the Open Coordination
 Sites of Platinum(II) Diimine Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2808
_journal_page_last               2815
_journal_paper_doi               10.1021/ic9021917
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C16 H20 N2 S3 Pt, Sb Cl4, Sb Cl3, Cl'
_chemical_formula_sum            'C16 H20 Cl8 N2 Pt S3 Sb2'
_chemical_formula_weight         1058.71
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.751(1)
_cell_angle_beta                 95.230(1)
_cell_angle_gamma                109.032(1)
_cell_formula_units_Z            2
_cell_length_a                   10.9771(9)
_cell_length_b                   11.7655(10)
_cell_length_c                   12.3481(10)
_cell_measurement_reflns_used    5212
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.12
_cell_measurement_theta_min      2.36
_cell_volume                     1431.2(2)
_computing_cell_refinement       'SAINT v7.23A'
_computing_data_collection       'APEX2 v2.0-2'
_computing_data_reduction        'SAINT v7.23A'
_computing_molecular_graphics    'Bruker SHELXTL v6.14'
_computing_publication_material  'Bruker SHELXTL v6.14'
_computing_structure_refinement  'Bruker SHELXTL v6.14'
_computing_structure_solution    'Bruker SHELXTL v6.14'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Platinum 200'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  'Si-<111> channel cut crystal'
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.77490
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_sigmaI/netI    0.0388
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16259
_diffrn_reflns_theta_full        31.10
_diffrn_reflns_theta_max         31.10
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    9.616
_exptl_absorpt_correction_T_max  0.8309
_exptl_absorpt_correction_T_min  0.3916
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2.10 (Sheldrick)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.457
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blade
_exptl_crystal_F_000             988
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.696
_refine_diff_density_min         -2.044
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         7053
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0271
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0382P)^2^+0.5852P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0706
_refine_ls_wR_factor_ref         0.0717
_reflns_number_gt                6668
_reflns_number_total             7053
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic9021917_si_002_1.cif
_cod_data_source_block           bpyPtttcnSb4Cl16
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

2021-04-13
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C32 H40 Cl16 N4 Pt2 S6 Sb4'
_cod_original_formula_weight         2117.42
_cod_original_formula_moiety         '2(C16 H20 N2 S3 Pt), Sb4 Cl16'
_cod_original_formula_units_Z            1
_cod_database_code               4315151