The Hydrosulfido-Bridged Diiridium and Dirhodium Complexes [Cp*MCl(μ2-SH)2MCp*Cl] (M =Ir, Rh; Cp* =μ5-C5Me5) as Versatile Precursors for Tri- and Tetranuclear Sulfido Clusters
Zhen Tang; Yasuo Nomura; Youichi Ishii; Yasushi Mizobe; Masanobu Hidai; Organometallics 16 (1997) 151–154; doi:10.1021/om960769d

data_4063223
_publ_section_title
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 The Hydrosulfido-Bridged Diiridium and Dirhodium Complexes
 [Cp*MCl(\m2-SH)2MCp*Cl] (M \\db Ir, Rh; Cp* \\db \m5-C5Me5) as
 Versatile Precursors for Tri- and Tetranuclear Sulfido Clusters
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_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              151
_journal_page_last               154
_journal_paper_doi               10.1021/om960769d
_journal_volume                  16
_journal_year                    1997
_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'
_audit_creation_date             'Thu Aug 15 16:04:59 1996'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 104.060(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2.00
_cell_length_a                   8.5190(6)
_cell_length_b                   9.2733(7)
_cell_length_c                   15.6790(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    20.0
_cell_measurement_theta_max      39.89
_cell_measurement_theta_min      38.92
_cell_volume                     1201.5(1)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_publication_material  'teXsan: FINISH (MSC)'
_computing_structure_refinement  'teXsan: LS (MSC)'
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      20.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  4.08
_diffrn_reflns_number            3123
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 114.940
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.488
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.189
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.250
_refine_diff_density_max         -1.07560
_refine_diff_density_min         1.33770
_refine_ls_extinction_coef       7.55024
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   2.180
_refine_ls_matrix_type           full
_refine_ls_number_parameters     119
_refine_ls_number_reflns         2043
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0330
_refine_ls_shift/esd_max         0.0300
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0240
_cod_depositor_comments
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The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 29 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_database_code               4063223