Coordination behaviour of (diaryl disulfide)-bridged dinuclear thiairidaindan cores: ligand substitution by isocyanides, CO, hydrazines and hydroxylamine, and related reactions
Matsukawa, Shoji; Kuwata, Shigeki; Ishii, Youichi; Hidai, Masanobu; Journal of the Chemical Society, Dalton Transactions  (2002) 2737–; doi:10.1039/b201591a

data_7702805
_publ_section_title
;
 Coordination behaviour of (diaryl disulfide)-bridged dinuclear
 thiairidaindan cores: ligand substitution by isocyanides, CO, hydrazines
 and hydroxylamine, and related reactions
;
_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2737
_journal_paper_doi               10.1039/b201591a
_journal_year                    2002
_chemical_formula_sum            'C76 H76 Cl4 Ir2 O2 P2 S4'
_chemical_formula_weight         1737.87
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Mon Jan 14 23:24:40 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                105.97(2)
_cell_angle_beta                 93.84(3)
_cell_angle_gamma                109.26(2)
_cell_formula_units_Z            2
_cell_length_a                   11.212(4)
_cell_length_b                   15.345(4)
_cell_length_c                   24.013(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      19.3
_cell_volume                     3693(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_measured_fraction_theta_full 1.0006
_diffrn_measured_fraction_theta_max 1.0006
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            13535
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_standards_decay_%        5.52
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.955
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.643
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.57
_refine_diff_density_min         -2.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.510
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     806
_refine_ls_number_reflns         8483
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          0.0101
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00031|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0494
_reflns_number_gt                8483
_reflns_number_total             13002
_cod_data_source_file            b201591a.txt
_cod_data_source_block           '[Ir(SAr)(SMes)(PPh3)(CO)]2(9)'
_cod_original_cell_volume        3692(2)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C76 H76 Cl4 Ir2 O2 P2 S4 '
_cod_database_code               7702805
_reflns_threshold_criterion      F^2^>3.0\s(F^2^)