1,1-Ethylenedithiolato Complexes of Palladium(II) and Platinum(II) with Isocyanide and Carbene Ligands
José Vicente; María Teresa Chicote; Sonia Huertas; Peter G. Jones; Inorganic Chemistry 42 (2003) 4268–4274; doi:10.1021/ic0343758

data_4313883
_publ_section_title
;
 1,1-Ethylenedithiolato Complexes of Palladium(II) and Platinum(II) with
 Isocyanide and Carbene Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4268
_journal_page_last               4274
_journal_paper_doi               10.1021/ic0343758
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C24 H24 N2 O2 Pt S2'
_chemical_formula_weight         631.66
_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     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                70.409(3)
_cell_angle_beta                 76.920(3)
_cell_angle_gamma                74.938(3)
_cell_formula_units_Z            2
_cell_length_a                   9.5174(6)
_cell_length_b                   11.3869(6)
_cell_length_c                   12.1696(8)
_cell_measurement_reflns_used    7089
_cell_measurement_temperature    143(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     1185.71(13)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      143(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       '\w- and \f-scan'
_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  0.0499
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19060
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    6.116
_exptl_absorpt_correction_T_max  0.5667
_exptl_absorpt_correction_T_min  0.2686
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   XPREP
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.769
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tablet
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.824
_refine_diff_density_min         -1.682
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    'rigid methyls, others riding'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     286
_refine_ls_number_reflns         6876
_refine_ls_number_restraints     78
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0248
_refine_ls_R_factor_gt           0.0211
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0227P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0418
_refine_ls_wR_factor_ref         0.0427
_reflns_number_gt                6374
_reflns_number_total             6876
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0343758si20030523_114906.cif
_cod_data_source_block           sonday
_cod_original_cell_volume        1185.71(12)
_cod_database_code               4313883