Syntheses, Characterization, and Structures of Tri- and Tetraruthenium Clusters Containing Sulfido, Phenylimido, and (Phenylimino)thio Ligands
Wen-Yann Yeh; Stern; Duward F. Shriver; Inorganic Chemistry 35 (1996) 7857–7862; doi:10.1021/ic960697i

data_4324003
_publ_contact_author
;
D.F. Shriver
Department of Chemistry
Northwestern University
Evanston, IL 60208-3113, USA
;
_publ_contact_author_email       ' Shriver@chem.nwu.edu '
_publ_contact_author_fax         ' 847-491-7713 '
_publ_contact_author_phone       ' 847-491-5655'
_publ_section_title
;
 Syntheses, Characterization, and Structures of Tri- and Tetraruthenium
 Clusters Containing Sulfido, Phenylimido, and (Phenylimino)thio Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7857
_journal_page_last               7862
_journal_paper_doi               10.1021/ic960697i
_journal_volume                  35
_journal_year                    1996
_chemical_formula_moiety         'C15 H5 N O9 S Ru3 '
_chemical_formula_sum            'C15 H5 N O9 Ru3 S'
_chemical_formula_weight         678.48
_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             'Tue Apr  1 10:55:54 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                92.32(3)
_cell_angle_beta                 93.21(3)
_cell_angle_gamma                98.84(2)
_cell_formula_units_Z            2
_cell_length_a                   9.585(2)
_cell_length_b                   10.151(2)
_cell_length_c                   10.555(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    153.2
_cell_measurement_theta_max      24.0
_cell_measurement_theta_min      22.9
_cell_volume                     1011.9(5)
_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    SHELXS86
_diffrn_ambient_temperature      153.2
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       'omega/theta scans'
_diffrn_orient_matrix_UB_11      -0.10188
_diffrn_orient_matrix_UB_12      0.00893
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_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 90
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_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
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_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         3243
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0263
_refine_ls_shift/esd_max         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
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_reflns_number_observed          3243
_reflns_number_total             3555
_reflns_observed_criterion       3.00
_cod_data_source_file            ic960697i_1.cif
_cod_data_source_block           compound1
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C15 H5 N O9 S Ru3 '
_cod_database_code               4324003