Decacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-μ-hydrido-1:2κ^2^<i>H</i>:<i>H</i>-(μ-quinoline-2-thiolato-1:2κ^2^<i>S</i>:<i>S</i>)diosmium(I)osmium(0)(3 <i>Os</i>—<i>Os</i>)
Sun, Yu; Li, Xiu-Bing; Sun, Bai-Wang; Acta Crystallographica Section E 64 (2008) m608–; doi:10.1107/S1600536808004881

data_2218157
_publ_section_title
;Decacarbonyl-1\k^3^<i>C</i>,2\k^3^<i>C</i>,3\k^4^<i>C</i>-\m-hydrido-1:2\k^2^<i>H</i>:<i>H</i>-(\m-quinoline-2-thiolato-1:2\k^2^<i>S</i>:<i>S</i>)diosmium(I)osmium(0)(3
 <i>Os</i>---<i>Os</i>)
;
_journal_coeditor_code           HY2117
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m608
_journal_paper_doi               10.1107/S1600536808004881
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Os3 (C9 H6 N S) H (C O)10]'
_chemical_formula_moiety         'C19 H7 N O10 Os3 S'
_chemical_formula_sum            'C19 H7 N O10 Os3 S'
_chemical_formula_weight         1012.02
_chemical_name_systematic
;
Decacarbonyl-1\k^3^C,2\k^3^C,3\k^4^C-\m-hydrido-1:2\k^2^H:H-(\m-
quinoline-2-thiolato-1:2\k^2^S:S)diosmium(I)osmium(0)(3 Os---Os)
;
_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'
_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                 93.0450(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3593(5)
_cell_length_b                   9.4129(5)
_cell_length_c                   25.7433(14)
_cell_measurement_reflns_used    4762
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      26.12
_cell_measurement_theta_min      3.02
_cell_volume                     2264.7(2)
_computing_cell_refinement       'CrystalClear (Rigaku, 2005)'
_computing_data_collection       'CrystalClear (Rigaku, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Scxmini 1K CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0344
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            13690
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    16.938
_exptl_absorpt_correction_T_max  0.092
_exptl_absorpt_correction_T_min  0.058
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.968
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1808
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.753
_refine_diff_density_min         -1.238
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     311
_refine_ls_number_reflns         4446
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0238
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0163P)^2^+2.1547P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0510
_refine_ls_wR_factor_ref         0.0519
_reflns_number_gt                4162
_reflns_number_total             4446
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2117.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2218157
_cod_database_fobs_code          2218157