A PtIII2Si2Four-Membered Cycle and a Dinuclear Platinum Complex Bridged by a Cyclodisiloxane Ring
Shimada, Shigeru; Li, Yong-Hua; Rao, Maddali L. N.; Tanaka, Masato; Organometallics 25 (2006) 3796–; doi:10.1021/om0604019

data_4075614
_publ_section_title
;
 A PtIII2Si2Four-Membered Cycle and a Dinuclear Platinum Complex Bridged
 by a Cyclodisiloxane Ring
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              3796
_journal_paper_doi               10.1021/om0604019
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C28 H54 P4 Pt2 Si4, C6 H6 '
_chemical_formula_sum            'C34 H60 P4 Pt2 Si4'
_chemical_formula_weight         1095.27
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_date             2006-06-14
_audit_creation_method           'by CrystalStructure 3.7.0'
_cell_angle_alpha                90.0000
_cell_angle_beta                 96.8210(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   14.9570(9)
_cell_length_b                   15.2972(10)
_cell_length_c                   18.6367(12)
_cell_measurement_reflns_used    6822
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28.173
_cell_measurement_theta_min      2.286
_cell_volume                     4233.9(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean '8.366 [pixels/mm]'
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            25212
_diffrn_reflns_theta_full        27.30
_diffrn_reflns_theta_max         28.27
_exptl_absorpt_coefficient_mu    6.861
_exptl_absorpt_correction_T_max  0.3323
_exptl_absorpt_correction_T_min  0.2785
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS; Sheldrick 1996
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2144
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.94
_refine_diff_density_min         -0.74
_refine_ls_extinction_coef       23.4(16)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     464
_refine_ls_number_reflns         9353
_refine_ls_R_factor_gt           0.0208
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0507
_reflns_number_gt                8381
_reflns_number_total             9646
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om0604019si20060619_043932.cif
_cod_data_source_block           Complex-6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'difmap & geom' was changed to
'mixed'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_formula_sum        'C34 H60 P4 Pt2 Si4 '
_cod_database_code               4075614