Synthesis, structural characterization and reactivities of hexaosmium carbonyl clusters with six-membered cyclic thioether and thioxane ligands
Leung, Kelvin Sze-Yin; Wong, Wing-Tak; Journal of the Chemical Society, Dalton Transactions  (1999) 2077–; doi:10.1039/a900808j

data_7027302
_publ_contact_author
;
    ENTER NAME
 ENTER ADDRESS
;
_publ_section_title
;
 Synthesis, structural characterization and reactivities of hexaosmium
 carbonyl clusters with six-membered cyclic thioether and thioxane ligands
;
_journal_issue                   12
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2077
_journal_paper_doi               10.1039/a900808j
_journal_year                    1999
_chemical_formula_moiety         'C23 H18 O17 Os6 S2 '
_chemical_formula_sum            'C23 H18 O17 Os6 S2'
_chemical_formula_weight         1771.70
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Fri Apr 23 14:54:59 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                99.00(2)
_cell_angle_beta                 94.67(1)
_cell_angle_gamma                104.25(1)
_cell_formula_units_Z            2
_cell_length_a                   8.992(1)
_cell_length_b                   10.348(2)
_cell_length_c                   18.637(2)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     1647.0(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR88
_diffrn_ambient_temperature      298.2
_diffrn_measurement_device       'image plate'
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.080
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            10408
_diffrn_reflns_theta_max         25.68
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    23.239
_exptl_absorpt_correction_type   'inter-image scaling'
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    3.572
_exptl_crystal_description       Block
_exptl_crystal_F_000             1560.00
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.160
_refine_diff_density_max         1.08
_refine_diff_density_min         -1.77
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.979
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         3690
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0605
_refine_ls_shift/esd_max         0.0220
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0654
_reflns_number_observed          3690
_reflns_number_total             5630
_reflns_observed_criterion       1.50
_cod_data_source_file            900808jsup1.cif
_cod_data_source_block           9
_cod_original_cell_volume        1647.0(5)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C23 H18 O17 Os6 S2 '
_cod_database_code               7027302