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_4077499
_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            'C88 H60 F20 N2 O2 P4 Pt4'
_chemical_formula_weight         2461.62
_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                86.17(4)
_cell_angle_beta                 75.52(5)
_cell_angle_gamma                83.13(5)
_cell_formula_units_Z            2
_cell_length_a                   14.129(9)
_cell_length_b                   15.133(6)
_cell_length_c                   21.407(10)
_cell_measurement_temperature    293(2)
_cell_volume                     4397(4)
_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  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0509
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            15908
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    6.506
_exptl_crystal_density_diffrn    1.859
_exptl_crystal_F_000             2340
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.987
_refine_diff_density_min         -0.797
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.914
_refine_ls_goodness_of_fit_obs   0.900
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1058
_refine_ls_number_reflns         15455
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      0.915
_refine_ls_restrained_S_obs      0.900
_refine_ls_R_factor_all          0.0701
_refine_ls_R_factor_obs          0.0418
_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^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1347
_refine_ls_wR_factor_obs         0.1126
_reflns_number_observed          11386
_reflns_number_total             15456
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            om000140h.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1000P)^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^)+(0.1000P)^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        4396.7(39)
_cod_database_code               4077499