C‒H activation on a diphosphine and hydrido-bridged diiridium complex: generation and detection of an active IrII‒IrII species [(Cp*Ir)2(μ-dmpm)(μ-H)]+
Takahashi, Yoshinori; Nonogawa, Mitsuru; Fujita, Ken-ichi; Yamaguchi, Ryohei; Dalton Transactions  (2008) 3546–3552; doi:10.1039/b803626h

data_7004175
_publ_section_title
;
 C--H activation on a diphosphine and hydrido-bridged diiridium
 complex: generation and detection of an active IrII--IrII species
 [(Cp*Ir)2(\m-dmpm)(\m-H)]+
;
_journal_issue                   27
_journal_name_full               'Dalton Transactions'
_journal_page_first              3546
_journal_page_last               3552
_journal_paper_doi               10.1039/b803626h
_journal_year                    2008
_chemical_formula_moiety         'C26 H45 F3 Ir2 O3 P2 S '
_chemical_formula_sum            'C26 H45 F3 Ir2 O3 P2 S'
_chemical_formula_weight         941.08
_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'
_cell_angle_alpha                80.236(19)
_cell_angle_beta                 83.09(2)
_cell_angle_gamma                86.91(3)
_cell_formula_units_Z            2
_cell_length_a                   9.771(3)
_cell_length_b                   10.880(3)
_cell_length_c                   15.431(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      14.7
_cell_volume                     1604.0(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku AFC5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7637
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.518
_exptl_absorpt_correction_T_max  0.078
_exptl_absorpt_correction_T_min  0.063
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.948
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             904.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.36
_refine_diff_density_min         -1.70
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     377
_refine_ls_number_reflns         5063
_refine_ls_R_factor_gt           0.0375
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0016Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0497
_reflns_number_gt                5063
_reflns_number_total             7354
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b803626h.txt
_cod_data_source_block           '_complex8'
_cod_original_cell_volume        1604.0(8)
_cod_original_formula_sum        'C26 H45 F3 Ir2 O3 P2 S '
_cod_database_code               7004175