Syntheses and Properties of a Series of Oxo-Centered Triruthenium Complexes and Their Bridged Dimers with Isocyanide Ligands at Terminal and Bridging Positions
Ken-ichiro Ota; Hirokazu Sasaki; Taeko Matsui; Tomohiko Hamaguchi; Tadashi Yamaguchi; Tasuku Ito; Hiroaki Kido; Clifford P. Kubiak; Inorganic Chemistry 38 (1999) 4070–4078; doi:10.1021/ic990234n

data_4322237
_publ_contact_author_address
;
    Department of Chemistry, Graduate School of Science,
   Tohoku University, Sendai 980-8578, JAPAN
;
_publ_contact_author_email       ' ito@agnus.chem.tohoku.ac.jp '
_publ_contact_author_fax         ' 81-22-217-6548 '
_publ_contact_author_name        ' Tasuku Ito'
_publ_contact_author_phone       ' 81-22-217-6544 '
_publ_section_title
;
 Syntheses and Properties of a Series of Oxo-Centered Triruthenium
 Complexes and Their Bridged Dimers with Isocyanide Ligands at Terminal
 and Bridging Positions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4070
_journal_page_last               4078
_journal_paper_doi               10.1021/ic990234n
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C33 H39 Cl6 N3 O13 Ru3'
_chemical_formula_weight         1201.61
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_audit_creation_date             'Thu Sep 10 19:20:10 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.393(5)
_cell_length_b                   14.428(2)
_cell_length_c                   17.396(2)
_cell_measurement_reflns_used    19
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.8
_cell_volume                     4616.4(15)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.03017
_diffrn_orient_matrix_UB_12      -0.02196
_diffrn_orient_matrix_UB_13      0.04421
_diffrn_orient_matrix_UB_21      0.04116
_diffrn_orient_matrix_UB_22      -0.03989
_diffrn_orient_matrix_UB_23      0.01777
_diffrn_orient_matrix_UB_31      0.01874
_diffrn_orient_matrix_UB_32      0.05225
_diffrn_orient_matrix_UB_33      0.03215
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_sigmaI/netI    0.041
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5863
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.61
_diffrn_standards_decay_%        -2.02
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.375
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.553
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   '(Walker & Stuart, 1983)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.729
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2384.00
_exptl_crystal_size_max          0.650
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.36
_refine_diff_density_min         -0.31
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.829
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     304
_refine_ls_number_reflns         3887
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          3.2780
_refine_ls_shift/su_mean         0.3720
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00010|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0356
_reflns_number_gt                3887
_reflns_number_total             5863
_reflns_threshold_expression     >3.0sigma(I)
_cod_data_source_file            ic990234n.cif
_cod_data_source_block           (py)2-ru3-CNXy
_cod_original_cell_volume        4616(1)
_cod_original_sg_symbol_H-M      'P b c n '
_cod_original_formula_sum        'C33 H39 Cl6 N3 O13 Ru3 '
_cod_database_code               4322237