Active Role of a Germylene Ligand in Promoting Reactions of Platinum Complexes with Oxygen and Sulfur Dioxide
K. E. Litz; M. M. Banaszak Holl; J. W. Kampf; G. B. Carpenter; Inorganic Chemistry 37 (1998) 6461–6469; doi:10.1021/ic9808044

data_4323217
_publ_section_title
;
 Active Role of a Germylene Ligand in Promoting Reactions of Platinum
 Complexes with Oxygen and Sulfur Dioxide
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6461
_journal_page_last               6469
_journal_paper_doi               10.1021/ic9808044
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C27 H66 Cl6 Ge N2 O3 P2 Pt Si4'
_chemical_formula_weight         1121.50
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 107.272(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.904(6)
_cell_length_b                   11.046(3)
_cell_length_c                   19.613(4)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    158(2)
_cell_measurement_theta_max      12.49
_cell_measurement_theta_min      9.90
_cell_volume                     4945(2)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens XSCANS'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      158(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       '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  0.0761
_diffrn_reflns_av_sigmaI/netI    0.0890
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            12299
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.57
_diffrn_standards_decay_%        2.21
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.947
_exptl_absorpt_correction_T_max  0.338
_exptl_absorpt_correction_T_min  0.937
_exptl_absorpt_correction_type   psi-scans
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_description       block
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.16
_refine_diff_density_max         5.249
_refine_diff_density_min         -3.430
_refine_diff_density_rms         0.288
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         9700
_refine_ls_number_restraints     0
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_refine_ls_restrained_S_obs      1.125
_refine_ls_R_factor_all          0.0876
_refine_ls_R_factor_obs          0.0675
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1158P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1755
_refine_ls_wR_factor_obs         0.1693
_reflns_number_observed          6939
_reflns_number_total             9704
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9808044_4.cif
_cod_data_source_block           ptcarb
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1158P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' 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^(Fo^2^)+(0.1158P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4945.5(21)
_cod_database_code               4323217