The First Systematic Synthesis of Heterobimetallic Dithiolene-Bridged Complexes. Synthesis and Characterization of Metal Complexes of 4-(1',2'-Ethylenedithiolate)-1,3-dithiole-2-one and Dimeric Metal Complexes of 1,2,3,4-Butadienetetrathiolate
Christopher E. Keefer; Suzanne T. Purrington; Robert D. Bereman; Paul D. Boyle; Inorganic Chemistry 38 (1999) 5437–5442; doi:10.1021/ic990841a

data_4322409
_publ_contact_author
;
Professor Robert D. Bereman
Department of Chemistry
Box 8204
North Carolina State University
Raleigh, NC 27695-8204
USA
;
_publ_contact_author_email       R_Bereman@ncsu.edu
_publ_contact_author_fax         1(919)5155079
_publ_contact_author_phone       1(919)5151963
_publ_section_title
;
 The First Systematic Synthesis of Heterobimetallic Dithiolene-Bridged
 Complexes. Synthesis and Characterization of Metal Complexes of
 4-(1',2'-Ethylenedithiolate)-1,3-dithiole-2-one and Dimeric Metal
 Complexes of 1,2,3,4-Butadienetetrathiolate
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5437
_journal_page_last               5442
_journal_paper_doi               10.1021/ic990841a
_journal_volume                  38
_journal_year                    1999
_chemical_formula_moiety         'C16 H15 O2 Pt S6'
_chemical_formula_sum            'C16 H15 O2 Pt S6'
_chemical_formula_weight         626.74
_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'
_cell_angle_alpha                90.0
_cell_angle_beta                 97.289(5)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   13.0388(4)
_cell_length_b                   9.2048(3)
_cell_length_c                   16.2384(5)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293
_cell_measurement_theta_max      22.50
_cell_measurement_theta_min      19.50
_cell_volume                     1933.18(11)
_computing_data_reduction        'NRCVAX DATRD2'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Nonius CAD-4    '
_diffrn_measurement_method       'Theta/2theta scan b/P/b '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .000
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_limit_l_min       0
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_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        1.2
_diffrn_standards_interval_time  80
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.97
_exptl_absorpt_correction_T_max  .9993
_exptl_absorpt_correction_T_min  .4656
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.153
_exptl_crystal_description       needle
_exptl_crystal_F_000             1199.29
_exptl_crystal_size_max          .40
_exptl_crystal_size_mid          .16
_exptl_crystal_size_min          .04
_refine_diff_density_max         1.99
_refine_diff_density_min         -1.03
_refine_ls_extinction_coef       0.0074(12)
_refine_ls_extinction_method     Larson
_refine_ls_goodness_of_fit_obs   1.48
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         4394
_refine_ls_R_factor_all          .035
_refine_ls_R_factor_obs          .035
_refine_ls_shift/esd_max         .049
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .047
_refine_ls_wR_factor_obs         .046
_reflns_number_observed          4396
_reflns_number_total             5590
_reflns_observed_criterion       'Inet > 1.5\s(Inet)'
_cod_data_source_file            ic990841a_2.cif
_cod_data_source_block           2^.^(1/2)1
_cod_original_cell_volume        1933.18(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4322409