The Cubane-Type Mo2Ir2S4 Cluster Containing an Organohydrazido(2-) Ligand on the Mo Site
Tadao Masumori; Hidetake Seino; Yasushi Mizobe; Masanobu Hidai; Inorganic Chemistry 39 (2000) 5002–5003; doi:10.1021/ic991441q

data_4321522
_publ_contact_author_address
;
     Institute of Industrial Scienece, The University of Tokyo,
     Roppongi, Minato-ku, Tokyo 106-8558, Japan
;
_publ_contact_author_email       ymizobe@cc.iis.u-tokyo.ac.jp
_publ_contact_author_fax         '(+81) 3 (3402) 6303'
_publ_contact_author_name        'Yasushi Mizobe'
_publ_section_title
;
 The Cubane-Type Mo2Ir2S4 Cluster Containing an Organohydrazido(2-) Ligand
 on the Mo Site
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5002
_journal_page_last               5003
_journal_paper_doi               10.1021/ic991441q
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C26 H44 Cl4 Ir2 Mo2 N2 O3 S4'
_chemical_formula_weight         1279.02
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Mon Nov 16 20:51:44 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 107.77(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.782(3)
_cell_length_b                   22.056(3)
_cell_length_c                   17.219(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      19.9
_cell_measurement_theta_min      19.2
_cell_volume                     3899.4(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 AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.08032
_diffrn_orient_matrix_UB_12      0.00824
_diffrn_orient_matrix_UB_13      0.04645
_diffrn_orient_matrix_UB_21      0.02522
_diffrn_orient_matrix_UB_22      -0.04367
_diffrn_orient_matrix_UB_23      0.00066
_diffrn_orient_matrix_UB_31      0.04896
_diffrn_orient_matrix_UB_32      0.00897
_diffrn_orient_matrix_UB_33      -0.03952
_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  0.081
_diffrn_reflns_av_sigmaI/netI    0.070
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            9436
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         2.64
_diffrn_standards_decay_%        -11.36
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.968
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.217
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.178
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2432.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.28
_refine_diff_density_min         -1.70
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.990
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     388
_refine_ls_number_reflns         5902
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0494
_refine_ls_R_factor_gt           0.0494
_refine_ls_shift/su_max          0.1300
_refine_ls_shift/su_mean         0.0070
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00014|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0543
_refine_ls_wR_factor_ref         0.0543
_reflns_number_gt                5902
_reflns_number_total             8973
_reflns_threshold_expression     >3.0sigma(I)
_cod_data_source_file            ic991441q_1.cif
_cod_data_source_block           '[Cp*2Ir2{MoOCl2}{MoCl2(dmf)}S4]'
_cod_original_cell_volume        3899(1)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C26 H44 Cl4 Ir2 N2 Mo2 O3 S4 '
_cod_database_code               4321522