The <i>trans</i> Influence of the Silyl Ligand. Structure of <i>trans</i>-[PtCl(SiPh~3~)(PMe~2~Ph)~2~]
Kapoor, P.; Lövqvist, K.; Oskarsson, Å.; Acta Crystallographica Section C 51 (1995) 611–613; doi:10.1107/S0108270194011170

data_2003303
_publ_contact_author
;
\%Ake Oskarsson
Inorganic Chemistry 1
Chemical Center
Box 124
S-221 00 Lund
Sweden
;
_publ_section_title
;
 The <i>trans</i> Influence of the Silyl Ligand. Structure of
 <i>trans</i>-[PtCl(SiPh~3~)(PMe~2~Ph)~2~]
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              611
_journal_page_last               613
_journal_paper_doi               10.1107/S0108270194011170
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source
;The title compound was prepared by the interaction of
cis-[PtCl~2~(PMe~2~Ph)~2~] with triphenylsilane in boiling
benzene--triethylamine solution (Chatt, Earborn, Ibekwe &
Kapoor, 1967). Single crystals were formed on cooling to room
temperature.
;
_chemical_formula_sum            'C34 H37 Cl P2 Pt Si'
_chemical_formula_weight         766.26
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.716(1)
_cell_length_b                   17.431(4)
_cell_length_c                   35.029(7)
_cell_measurement_reflns_used    39
_cell_measurement_temperature    295
_cell_measurement_theta_max      51.1
_cell_measurement_theta_min      19.2
_cell_volume                     6543(2)
_computing_cell_refinement
'LATCON, Xtal3.2 (Schwarzenbach & King, 1992)'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1989)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'Patterson and Difference Fourier methods'
_diffrn_ambient_temperature      295
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7109
_diffrn_reflns_theta_max         26.0
_diffrn_reflns_theta_min         3.0
_diffrn_standards_decay_%        -2.10
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.569
_exptl_absorpt_correction_T_max  0.374
_exptl_absorpt_correction_T_min  0.266
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   Coppens_numerical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_description       prism
_exptl_crystal_F_000             3040.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.250
_refine_diff_density_max         1.26590
_refine_diff_density_min         -0.73613
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.302
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         3526
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0299
_refine_ls_shift/esd_max         0.0094
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0336
_reflns_number_observed          3526
_reflns_number_total             7109
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ab1204.cif
_cod_data_source_block           ptclsi
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F)]' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/[\s^2^(F)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        6543.0(10)
_cod_original_sg_symbol_H-M      'P b c a    '
_cod_database_code               2003303