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_4323214
_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                108.740(10)
_cell_angle_beta                 97.560(10)
_cell_angle_gamma                95.440(10)
_cell_formula_units_Z            4
_cell_length_a                   11.689(2)
_cell_length_b                   18.753(2)
_cell_length_c                   19.160(2)
_cell_measurement_reflns_used    42
_cell_measurement_temperature    148(2)
_cell_measurement_theta_max      12.55
_cell_measurement_theta_min      5.92
_cell_volume                     3900.5(9)
_computing_cell_refinement       'Siemens XSCANS, v2.1'
_computing_data_collection       'Siemens XSCANS, v2.1'
_computing_data_reduction        'Siemens XSCANS, v2.1'
_computing_molecular_graphics    'Siemens SHELXTL PLUS'
_computing_publication_material  'Siemens SHELXTL PLUS'
_computing_structure_refinement  'Siemens SHELXTL PLUS'
_computing_structure_solution    'Siemens SHELXTL PLUS'
_diffrn_ambient_temperature      148(2)
_diffrn_measurement_device       'Siemens P4U 4-circle diffractometer'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9823
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         2.64
_diffrn_standards_decay_%        15
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.580
_exptl_absorpt_correction_T_max  0.636
_exptl_absorpt_correction_T_min  1.341
_exptl_absorpt_correction_type   psi-scans
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_description       plate
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.26
_refine_diff_density_max         5.757
_refine_diff_density_min         -2.521
_refine_diff_density_rms         0.181
_refine_ls_extinction_coef       0.00013(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.085
_refine_ls_goodness_of_fit_obs   1.225
_refine_ls_matrix_type           full
_refine_ls_number_parameters     688
_refine_ls_number_reflns         9814
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_restrained_S_obs      1.225
_refine_ls_R_factor_all          0.0750
_refine_ls_R_factor_obs          0.0550
_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^)+(0.0928P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1488
_refine_ls_wR_factor_obs         0.1421
_reflns_number_observed          7192
_reflns_number_total             9823
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9808044_1.cif
_cod_data_source_block           ptge
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0928P)^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^)+(0.0928P)^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 
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_cod_database_code               4323214