Reactivity of Bis(silyl)platinum(II) Complexes toward Organic Isothiocyanates: Preparation and Structures of (Dithiocarbonimidato)- and (Diphenylsilanedithiolato)platinum(II) Complexes,cis-[Pt(S2CNPh)L2] andcis-[Pt(S2SiPh2)L2] (L = PMe2Ph, PEt3; L-L = dppp)
Lee, Kyung-Eun; Chang, Xiaohong; Kim, Yong-Joo; Huh, Hyun Sue; Lee, Soon W.; Organometallics 27 (2008) 5566–; doi:10.1021/om8006079

data_4072142
_publ_section_title
;
 Reactivity of Bis(silyl)platinum(II) Complexes toward Organic
 Isothiocyanates: Preparation and Structures of (Dithiocarbonimidato)- and
 (Diphenylsilanedithiolato)platinum(II)
 Complexes,cis-[Pt(S2C&#xE5FB;NPh)L2] andcis-[Pt(S2SiPh2)L2] (L = PMe2Ph,
 PEt3; L-L = dppp)
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              5566
_journal_paper_doi               10.1021/om8006079
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C28 H32 P2 Pt S2 Si'
_chemical_formula_weight         717.78
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.882(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.898(2)
_cell_length_b                   11.8386(9)
_cell_length_c                   16.944(4)
_cell_measurement_reflns_used    27
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.50
_cell_measurement_theta_min      5.29
_cell_volume                     2859.7(8)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0211
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            2611
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.24
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.223
_exptl_absorpt_correction_T_max  0.8987
_exptl_absorpt_correction_T_min  0.6523
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'COLORLESS         '
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'BLOCK             '
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.557
_refine_diff_density_min         -0.583
_refine_diff_density_rms         0.077
_refine_ls_extinction_coef       0.00000(4)
_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   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     156
_refine_ls_number_reflns         2510
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0262
_refine_ls_R_factor_gt           0.0223
_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^)+(0.0216P)^2^+3.7714P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0543
_refine_ls_wR_factor_ref         0.0564
_reflns_number_gt                2316
_reflns_number_total             2510
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om8006079_si_003.cif
_cod_data_source_block           172
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2859.5(8)
_cod_original_sg_symbol_H-M      'C2/c   '
_cod_database_code               4072142