Five-Coordinate Dihydridosilyl Platinum(IV) Complexes Supported by a Chelating Monoanionic Nitrogen-Based Ligand
McBee, Jennifer L.; Tilley, T. Don; Organometallics 28 (2009) 3947–; doi:10.1021/om9002686

data_4069550
_publ_section_title
;
 Five-Coordinate Dihydridosilyl Platinum(IV) Complexes Supported by a
 Chelating Monoanionic Nitrogen-Based Ligand
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3947
_journal_paper_doi               10.1021/om9002686
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C23 H21 Cl N2 Pt S, 0.5(C7 H7)'
_chemical_formula_sum            'C26.5 H24.5 Cl N2 Pt S'
_chemical_formula_weight         633.02
_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                70.209(2)
_cell_angle_beta                 78.055(2)
_cell_angle_gamma                85.467(2)
_cell_formula_units_Z            2
_cell_length_a                   9.3161(12)
_cell_length_b                   10.6273(14)
_cell_length_c                   13.1790(17)
_cell_measurement_reflns_used    4913
_cell_measurement_temperature    166(2)
_cell_measurement_theta_max      25.87
_cell_measurement_theta_min      2.16
_cell_volume                     1201.1(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      166(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0239
_diffrn_reflns_av_sigmaI/netI    0.0341
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11095
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         2.17
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.049
_exptl_absorpt_correction_T_max  0.51
_exptl_absorpt_correction_T_min  0.45
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs, 2004'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.750
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             568
_exptl_crystal_size_max          .14
_exptl_crystal_size_mid          .14
_exptl_crystal_size_min          .10
_refine_diff_density_max         1.010
_refine_diff_density_min         -0.539
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4829
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0224
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0277P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0493
_refine_ls_wR_factor_ref         0.0503
_reflns_number_gt                4324
_reflns_number_total             4829
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om9002686_si_002.cif
_cod_data_source_block           jlm28s
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
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_cod_database_code               4069550