Electrical Conductivity in Platinum-Dimer Columns
Alejandro Guijarro; Óscar Castillo; Arrigo Calzolari; Pablo J. Sanz Miguel; Carlos J. Gómez-García; Rosa di Felice; Félix Zamora; Inorganic Chemistry 47 (2008) 9736–9738; doi:10.1021/ic801211m

data_4306372
_publ_contact_author
;
 F\'elix Zamora, Departamento de Qu\'imica Inorg\'anica. 
 Universidad Aut\'onoma de Madrid, E-28049 Madrid, Spain
;
_publ_contact_author_email       felix.zamora@uam.es
_publ_contact_author_fax         '34 91 4974833'
_publ_contact_author_phone       '34 91 4973962'
_publ_section_title
;
Electrical Conductivity in Platinum-Dimer Columns
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9736
_journal_page_last               9738
_journal_paper_doi               10.1021/ic801211m
_journal_volume                  47
_journal_year                    2008
_chemical_formula_iupac          'C24 H44 Pt2 S8'
_chemical_formula_moiety         'C24 H44 Pt2 S8'
_chemical_formula_sum            'C24 H44 Pt2 S8'
_chemical_formula_weight         979.31
_chemical_name_systematic
;
tetrakis(mu-dithiohexanoato)diplatinum
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.241(6)
_cell_length_b                   9.2388(18)
_cell_length_c                   11.773(2)
_cell_measurement_reflns_used    19894
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.00
_cell_measurement_theta_min      5.02
_cell_volume                     3180.5(10)
_computing_cell_refinement       'CrysAlis CCD (Oxford Diffraction, 2003)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2003)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2003)'
_computing_molecular_graphics    'Ortep-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Sir92 (Altamore et al., 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0942
_diffrn_reflns_av_sigmaI/netI    0.0707
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19894
_diffrn_reflns_theta_full        71.00
_diffrn_reflns_theta_max         71.00
_diffrn_reflns_theta_min         5.02
_exptl_absorpt_coefficient_mu    21.223
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    2.045
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1888
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         3.260
_refine_diff_density_min         -2.031
_refine_diff_density_rms         0.363
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     157
_refine_ls_number_reflns         3049
_refine_ls_number_restraints     78
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0921
_refine_ls_R_factor_gt           0.0666
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0865P)^2^+64.4718P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1713
_refine_ls_wR_factor_ref         0.2011
_reflns_number_gt                2121
_reflns_number_total             3049
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801211m_si_002_2.cif
_cod_data_source_block           compound2
_cod_original_cell_volume        3180.5(11)
_cod_database_code               4306372