Mono(sulfido)-bridged mixed-valence nitrosyl complex: protonation and oxidative addition of iodine across the Ir(II)‒Ir(0) bond
Hattori, Takanori; Matsukawa, Shoji; Kuwata, Shigeki; Ishii, Youichi; Hidai, Masanobu; Chemical Communications (Cambridge, United Kingdom)  (2003) 510–511; doi:10.1039/b211021k

data_7113538
_publ_section_title
;
 Mono(sulfido)-bridged mixed-valence nitrosyl complex: protonation and
 oxidative addition of iodine across the Ir(II)--Ir(0) bond
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   4
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              510
_journal_page_last               511
_journal_paper_doi               10.1039/b211021k
_journal_year                    2003
_chemical_formula_moiety         'C31 H39 I2 Ir2 N O P2 S '
_chemical_formula_sum            'C31 H39 I2 Ir2 N O P2 S'
_chemical_formula_weight         1173.91
_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             'Thu Oct 10 20:43:05 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                75.57(2)
_cell_angle_beta                 81.65(2)
_cell_angle_gamma                85.08(3)
_cell_formula_units_Z            2
_cell_length_a                   10.715(4)
_cell_length_b                   12.613(3)
_cell_length_c                   13.637(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      19.7
_cell_volume                     1763.6(10)
_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 1.0011
_diffrn_measured_fraction_theta_max 1.0011
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.093
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8468
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_standards_decay_%        0.79
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.485
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.486
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            darkbrown
_exptl_crystal_density_diffrn    2.211
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         2.47
_refine_diff_density_min         -3.07
_refine_ls_extinction_coef       0.0004(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.674
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     362
_refine_ls_number_reflns         4919
_refine_ls_R_factor_gt           0.0484
_refine_ls_shift/su_max          0.0113
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00016|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0499
_reflns_number_gt                4919
_reflns_number_total             8100
_cod_duplicate_entry             7103973
_cod_data_source_file            197634_197635.txt
_cod_data_source_block           Compound6
_cod_original_cell_volume        1763.5(9)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C31 H39 I2 Ir2 N O P2 S '
_cod_database_code               7113538
_reflns_threshold_criterion      F^2^>3.0\s(F^2^)