Influence of the terminal ligands on the redox properties of the {Pt2(mu-S)2} core in [Pt2(Ph2X(CH2)2XPh2)2(mu-S)2] (X = P or As) complexes and on their reactivity towards metal centres, protic acids and organic electrophiles.
Novio, Fernando; Mas-Ballesté, Rubén; Gallardo, Iluminada; González-Duarte, Pilar; Lledós, Agustí; Vila, Neus; Dalton transactions (Cambridge, England : 2003)  (2005) 2742–2753; doi:10.1039/b502196k

data_7008379
_publ_section_title
;
 Influence of the terminal ligands on the redox properties of the
 {Pt2(mu-S)2} core in [Pt2(Ph2X(CH2)2XPh2)2(mu-S)2] (X = P or As)
 complexes and on their reactivity towards metal centres, protic acids
 and organic electrophiles.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2742
_journal_page_last               2753
_journal_paper_doi               10.1039/b502196k
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C104 H96 As8 Pt4 S4 Zn, 2(C24 H20 B)'
_chemical_formula_sum            'C152 H136 As8 B2 Pt4 S4 Zn'
_chemical_formula_weight         3557.56
_chemical_name_common
;
tetrakis((mu!3$-Sulfido)-(1,2-bis(diphenylarsino)ethane)-
platinum)-zinc(ii) bis(tetraphenylborate)
;
_chemical_name_systematic
;
tetrakis((\m~3~-Sulfido)-(1,2-bis(diphenylarsino)ethane)-platinum)-zinc(ii)
bis(tetraphenylborate)
;
_space_group_IT_number           96
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_creation_date             2004-06-21T17:42:59-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.1852(11)
_cell_length_b                   18.1852(11)
_cell_length_c                   48.087(3)
_cell_measurement_reflns_used    3861
_cell_measurement_temperature    120.0(1)
_cell_measurement_theta_max      22.02
_cell_measurement_theta_min      2.24
_cell_measurement_wavelength     0.71073
_cell_volume                     15902.4(17)
_computing_cell_refinement       'SAINT+ (Bruker AXS)'
_computing_data_collection       'SMART (Bruker AXS)'
_computing_data_reduction        'SAINT+ (Bruker AXS)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-99 (Beurskens et al., 1999)'
_diffrn_ambient_temperature      120.0(1)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.10
_diffrn_reflns_av_unetI/netI     0.0517
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       55
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            114465
_diffrn_reflns_theta_full        24.14
_diffrn_reflns_theta_max         24.14
_diffrn_reflns_theta_min         1.4
_exptl_absorpt_coefficient_mu    5.403
_exptl_absorpt_correction_T_max  0.523
_exptl_absorpt_correction_T_min  0.311
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS: G.M.Sheldrick. (2000) University of Gottingen, Germany.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             6912
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_platon_squeeze_details
; See Abstracts:
M05 (page 66) ACA-94 Atlanta, USA.
ACA-98 Arlington, USA
P.v.d.Sluis and A.L.Spek, Acta Crystallogr., Sect A 1990, 46, 194-201.
;
_refine_diff_density_max         0.718
_refine_diff_density_min         -1.853
_refine_diff_density_rms         0.167
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.062(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     771
_refine_ls_number_reflns         12686
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0613
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0561P)^2^+63.7602P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1009
_refine_ls_wR_factor_ref         0.1088
_reflns_number_gt                10587
_reflns_number_total             12686
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b502196k.txt
_cod_data_source_block           ub02fb1n
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        15902.3(17)
_cod_original_sg_symbol_H-M      'P43 21 2'
_cod_original_formula_sum        'C152 H136 As8 B2 Pt4 S4 Zn1'
_cod_database_code               7008379