Oxidation of Organoplatinum(II) by Coordinated Dimethylsulfoxide: Metal-Metal Bonded, Dinuclear, Liquid-Crystalline Complexes of Platinum(III)
Amedeo Santoro; Marcin Wegrzyn; Adrian C. Whitwood; Bertrand Donnio; Duncan W. Bruce; Journal of the American Chemical Society 132 (2010) 10689–10691; doi:10.1021/ja105469a

data_4102819
_publ_contact_author_address
;Department of Chemistry
University of York
Heslington
YORK
YO10 5DD
;
_publ_contact_author_email       db519@york.ac.uk
_publ_contact_author_name        'Professor Duncan W. Bruce'
_publ_contact_author_phone       +441904424085
_publ_section_title
;
 Oxidation of Organoplatinum(II) by Coordinated Dimethylsulfoxide:
 Metal-Metal Bonded, Dinuclear, Liquid-Crystalline Complexes of
 Platinum(III)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10689
_journal_page_last               10691
_journal_paper_doi               10.1021/ja105469a
_journal_volume                  132
_journal_year                    2010
_chemical_formula_moiety         'C46 H46 Cl2 N2 O8 Pt2,  4(C H Cl3)'
_chemical_formula_sum            'C50 H50 Cl14 N2 O8 Pt2'
_chemical_formula_weight         1693.40
_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                84.728(2)
_cell_angle_beta                 70.0080(10)
_cell_angle_gamma                75.5400(10)
_cell_formula_units_Z            2
_cell_length_a                   13.5551(11)
_cell_length_b                   14.9735(12)
_cell_length_c                   16.5943(14)
_cell_measurement_reflns_used    7743
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      30.02
_cell_measurement_theta_min      2.41
_cell_volume                     3064.8(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0438
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            34362
_diffrn_reflns_theta_full        30.07
_diffrn_reflns_theta_max         30.07
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    5.220
_exptl_absorpt_correction_T_max  0.593
_exptl_absorpt_correction_T_min  0.286
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2.10; (Sheldrick)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.835
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1644
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.882
_refine_diff_density_min         -1.664
_refine_diff_density_rms         0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     710
_refine_ls_number_reflns         17148
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0399
_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^)+(0.0578P)^2^+9.7271P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1027
_refine_ls_wR_factor_ref         0.1138
_reflns_number_gt                13307
_reflns_number_total             17148
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja105469a_si_001.cif
_cod_data_source_block           dwb0936m
_cod_database_code               4102819