A one-step synthesis of an iridium(II) dinuclear complex. Preparation, structures and properties of bis(μ-acetato)dicarbonyldichlorodiiridium(II) complexes †
Kanematsu, Naohiro; Ebihara, Masahiro; Kawamura, Takashi; Journal of the Chemical Society, Dalton Transactions  (1999) 4413–; doi:10.1039/a907776f

data_7027817
_publ_section_title
;
 A one-step synthesis of an iridium(II) dinuclear complex. Preparation,
 structures and properties of
 bis(\m-acetato)dicarbonyldichlorodiiridium(II) complexes&#x200A;&#x2020;
;
_journal_issue                   24
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4413
_journal_paper_doi               10.1039/a907776f
_journal_year                    1999
_chemical_formula_moiety         'C10 H18 Cl2 Ir2 O8 S2 '
_chemical_formula_sum            'C10 H18 Cl2 Ir2 O8 S2'
_chemical_formula_weight         785.71
_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             'Sat Sep  4 19:36:05 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90.57(1)
_cell_angle_beta                 95.88(2)
_cell_angle_gamma                75.35(1)
_cell_formula_units_Z            2
_cell_length_a                   9.913(2)
_cell_length_b                   12.268(2)
_cell_length_c                   8.369(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    193.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      12.6
_cell_volume                     979.4(4)
_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    SHELXS86
_diffrn_ambient_temperature      193.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.06440
_diffrn_orient_matrix_UB_12      0.04420
_diffrn_orient_matrix_UB_13      0.07537
_diffrn_orient_matrix_UB_21      0.05780
_diffrn_orient_matrix_UB_22      -0.04593
_diffrn_orient_matrix_UB_23      0.09261
_diffrn_orient_matrix_UB_31      0.05920
_diffrn_orient_matrix_UB_32      0.05507
_diffrn_orient_matrix_UB_33      0.01357
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.029
_diffrn_reflns_av_sigmaI/netI    0.035
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4744
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.14
_diffrn_standards_decay_%        1.35
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    14.130
_exptl_absorpt_correction_T_max  0.169
_exptl_absorpt_correction_T_min  0.043
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa_analytical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.664
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             724.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.43
_refine_diff_density_min         -1.87
_refine_ls_extinction_coef       0.033(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.679
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     218
_refine_ls_number_reflns         3922
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0272
_refine_ls_shift/su_max          0.0010
_refine_ls_shift/su_mean         0.0000
_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          0.0323
_refine_ls_wR_factor_ref         0.0323
_reflns_number_gt                3922
_reflns_number_total             4485
_reflns_observed_criterion       >2.0sigma(I)
_cod_data_source_file            907776fsup1.cif
_cod_data_source_block           '[Ir2(O2CMe)2Cl2(CO)2(DMSO)2]_3'
_cod_original_cell_volume        979.3(3)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C10 H18 Cl2 Ir2 O8 S2 '
_cod_database_code               7027817