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_7027297
_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         'C20 H8 O16 Os6 S2 '
_chemical_formula_sum            'C20 H8 O16 Os6 S2'
_chemical_formula_weight         1709.59
_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 16:41:04 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90.43(2)
_cell_angle_beta                 90.44(2)
_cell_angle_gamma                87.36(2)
_cell_formula_units_Z            2
_cell_length_a                   11.976(3)
_cell_length_b                   13.059(4)
_cell_length_c                   9.823(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      18.5
_cell_measurement_theta_min      12.5
_cell_volume                     1534.5(7)
_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
_diffrn_ambient_temperature      298.2
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.00069
_diffrn_orient_matrix_UB_12      -0.04749
_diffrn_orient_matrix_UB_13      0.07941
_diffrn_orient_matrix_UB_21      0.07238
_diffrn_orient_matrix_UB_22      -0.03278
_diffrn_orient_matrix_UB_23      -0.03180
_diffrn_orient_matrix_UB_31      0.04182
_diffrn_orient_matrix_UB_32      0.05046
_diffrn_orient_matrix_UB_33      0.05520
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.064
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4245
_diffrn_reflns_theta_max         22.50
_diffrn_standards_decay_%        -4.91
_diffrn_standards_interval_count 250
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    24.932
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.449
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    3.700
_exptl_crystal_description       block
_exptl_crystal_F_000             1488.00
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.120
_refine_diff_density_max         3.79
_refine_diff_density_min         -3.23
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.708
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         2535
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0665
_refine_ls_shift/esd_max         0.0140
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0665
_reflns_number_observed          2535
_reflns_number_total             4013
_reflns_observed_criterion       1.50
_cod_data_source_file            900808jsup1.cif
_cod_data_source_block           9
_cod_original_cell_volume        1534.6(6)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C20 H8 O16 Os6 S2 '
_cod_database_code               7027297