Polynuclear Homo- or Heterometallic Palladium(II)−Platinum(II) Pentafluorophenyl Complexes Containing Bridging Diphenylphosphido Ligands. 8.†Syntheses and Reactivity of the Tetranuclear [Pt4(μ2-PPh2)3{μ3-PPh(1,2-η2-Ph)-κ3P}(C6F5)4] Cluster
Alonso, Ester; Forniés, Juan; Fortuño, Consuelo; Martín, Antonio; Orpen, A. Guy; Organometallics 19 (2000) 2690–; doi:10.1021/om000140h

data_4077498
_publ_section_title
;
 Polynuclear Homo- or Heterometallic Palladium(II)&#x2212;Platinum(II)
 Pentafluorophenyl Complexes Containing Bridging Diphenylphosphido
 Ligands. 8.&#x2020;Syntheses and Reactivity of the Tetranuclear
 [Pt4(\m2-PPh2)3{\m3-PPh(1,2-\h2-Ph)-\k3P}(C6F5)4] Cluster
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              2690
_journal_paper_doi               10.1021/om000140h
_journal_volume                  19
_journal_year                    2000
_chemical_formula_sum            'C73 H42 Cl2 F20 P4 Pt4'
_chemical_formula_weight         2274.21
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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                68.232(10)
_cell_angle_beta                 80.442(9)
_cell_angle_gamma                81.676(10)
_cell_formula_units_Z            2
_cell_length_a                   12.5653(12)
_cell_length_b                   17.516(2)
_cell_length_c                   17.705(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3553.9(7)
_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  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0338
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16607
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    8.109
_exptl_crystal_density_diffrn    2.125
_exptl_crystal_F_000             2132
_refine_diff_density_max         1.776
_refine_diff_density_min         -1.798
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.753
_refine_ls_goodness_of_fit_obs   1.723
_refine_ls_matrix_type           full
_refine_ls_number_parameters     946
_refine_ls_number_reflns         12080
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.758
_refine_ls_restrained_S_obs      1.728
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_obs          0.0347
_refine_ls_shift/esd_max         0.004
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1038
_refine_ls_wR_factor_obs         0.0981
_reflns_number_observed          11241
_reflns_number_total             12081
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            om000140h.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0400P)^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^)+(0.0400P)^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        3553.8(7)
_cod_database_code               4077498