Direct Ag-Pt2 Interactions in Pentafluorophenyl A-Frame Complexes Containing Halide or OH-and Bis(diphenylphosphino)methane (dppm) as Bridging Ligands. Crystal Structures of [(C6F5)2Pt(μ-OH)(μ-dppm){Ag(PPh3)}Pt(C6F5)2].C7H8 and [(C6F5)2Pt(μ-SC4H8)(μ-dppm)Pt(C6F5)2].1/2C6H14
José María Casas; Larry R. Falvello; Juan Forniés; Antonio Martín; Inorganic Chemistry 35 (1996) 7867–7872; doi:10.1021/ic9605332

data_4324002
_publ_section_title
;
 Direct Ag-Pt2 Interactions in Pentafluorophenyl A-Frame Complexes
 Containing Halide or OH-and Bis(diphenylphosphino)methane (dppm) as
 Bridging Ligands. Crystal Structures of
 [(C6F5)2Pt(\m-OH)(\m-dppm){Ag(PPh3)}Pt(C6F5)2].C7H8 and
 [(C6F5)2Pt(\m-SC4H8)(\m-dppm)Pt(C6F5)2].1/2C6H14
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7867
_journal_page_last               7872
_journal_paper_doi               10.1021/ic9605332
_journal_volume                  35
_journal_year                    1996
_chemical_formula_sum            'C56 H37 F20 P2 Pt2 S'
_chemical_formula_weight         1574.04
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 106.21(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.258(6)
_cell_length_b                   11.351(3)
_cell_length_c                   22.268(5)
_cell_measurement_temperature    293(2)
_cell_volume                     5402(3)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_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  0.0936
_diffrn_reflns_av_sigmaI/netI    0.0521
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            9782
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    5.379
_exptl_crystal_density_diffrn    1.935
_exptl_crystal_F_000             3020
_refine_diff_density_max         1.886
_refine_diff_density_min         -2.601
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.060
_refine_ls_goodness_of_fit_obs   1.117
_refine_ls_matrix_type           full
_refine_ls_number_parameters     722
_refine_ls_number_reflns         9525
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.073
_refine_ls_restrained_S_obs      1.118
_refine_ls_R_factor_all          0.0761
_refine_ls_R_factor_obs          0.0444
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0668P)^2^+4.9224P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1174
_refine_ls_wR_factor_obs         0.1030
_reflns_number_observed          6948
_reflns_number_total             9527
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9605332_2.cif
_cod_data_source_block           7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0668P)^2^+4.9224P] 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^)+(0.0668P)^2^+4.9224P] 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        5402.6(24)
_cod_database_code               4324002