A novel dinuclear cyclometalated iridium complex bridged with 1,4-bis[pyridine-2-yl]benzene: its structure and photophysical properties.
Tsuboyama, Akira; Takiguchi, Takao; Okada, Shinjiro; Osawa, Masahisa; Hoshino, Mikio; Ueno, Kazunori; Dalton transactions (Cambridge, England : 2003)  (2004) 1115–1116; doi:10.1039/b404101c

data_7014228
_publ_section_title
;
 A novel dinuclear cyclometalated iridium complex bridged with
 1,4-bis[pyridine-2-yl]benzene: its structure and photophysical
 properties.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1115
_journal_page_last               1116
_journal_paper_doi               10.1039/b404101c
_journal_year                    2004
_chemical_formula_sum            'C72 H70 Ir2 N10 O4'
_chemical_formula_weight         1523.85
_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'
_cell_angle_alpha                90
_cell_angle_beta                 100.1521(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.0938(2)
_cell_length_b                   21.1951(6)
_cell_length_c                   24.5599(4)
_cell_measurement_temperature    93.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.4
_cell_volume                     6196.9(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9559
_diffrn_measured_fraction_theta_max 0.9559
_diffrn_measurement_device_type  'Rigaku RAXIS-CS Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            33998
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    4.362
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.450
_exptl_crystal_size_min          0.300
_refine_diff_density_max         2.45
_refine_diff_density_min         -1.87
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.482
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     793
_refine_ls_number_reflns         13582
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.0028
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1138
_reflns_number_gt                11795
_reflns_number_total             13582
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b404101c.txt
_cod_data_source_block           CAN1
_cod_original_formula_sum        'C72 H70 Ir2 N10 O4 '
_cod_database_code               7014228