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_4323215
_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            'C24 H66 Ge N2 O2 P2 Pt Si4'
_chemical_formula_weight         856.77
_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
_cell_angle_alpha                68.97(2)
_cell_angle_beta                 81.76(2)
_cell_angle_gamma                74.07(2)
_cell_formula_units_Z            4
_cell_length_a                   12.346(3)
_cell_length_b                   17.752(3)
_cell_length_c                   20.521(5)
_cell_measurement_reflns_used    41
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.071
_cell_measurement_theta_min      9.854
_cell_volume                     4031.7(17)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens XSCANS'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       '\w 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  0.0574
_diffrn_reflns_av_sigmaI/netI    0.1253
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16039
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.87
_diffrn_standards_decay_%        16.52
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.431
_exptl_absorpt_correction_T_max  0.292
_exptl_absorpt_correction_T_min  0.106
_exptl_absorpt_correction_type   semi-empirical
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_description       'Clear crystal'
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          1.0
_exptl_crystal_size_mid          0.6
_exptl_crystal_size_min          0.3
_refine_diff_density_max         1.054
_refine_diff_density_min         -1.710
_refine_diff_density_rms         .166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.887
_refine_ls_goodness_of_fit_obs   1.087
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         13902
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.892
_refine_ls_restrained_S_obs      1.087
_refine_ls_R_factor_all          0.1263
_refine_ls_R_factor_obs          0.0633
_refine_ls_shift/esd_max         0.036
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0860P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1715
_refine_ls_wR_factor_obs         0.1498
_reflns_number_observed          7239
_reflns_number_total             13904
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9808044_2.cif
_cod_data_source_block           mbh3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0860P)^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^)+(0.0860P)^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        4031.7(15)
_cod_database_code               4323215