Di-μ-iodido-bis[(η^4^-cycloocta-1,5-diene)iridium(I)]
Tsuneaki Yamagata; Mitsuhiro Nagata; Kazushi Mashima; Kazuhide Tani; Acta Crystallographica Section E 63 (2007) m2402–m2402; doi:10.1107/S1600536807040421

data_2215280
_publ_section_title
;
 Di-\m-iodido-bis[(\h^4^-cycloocta-1,5-diene)iridium(I)]
;
_journal_coeditor_code           TK2187
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2402
_journal_page_last               m2402
_journal_paper_doi               10.1107/S1600536807040421
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ir2 I2 (C8 H12)2]'
_chemical_formula_moiety         'C16 H24 I2 Ir2'
_chemical_formula_sum            'C16 H24 I2 Ir2'
_chemical_formula_weight         854.56
_chemical_name_systematic
;
Di-\m-iodido-bis[(\h^4^-cycloocta-1,5-diene)iridium(I)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 96.6568(14)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.3438(4)
_cell_length_b                   11.8161(4)
_cell_length_c                   11.9435(3)
_cell_measurement_reflns_used    41734
_cell_measurement_temperature    100.0(10)
_cell_measurement_theta_max      31.9
_cell_measurement_theta_min      3.1
_cell_volume                     1730.28(9)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'TEXSAN (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    'SIR2004 (Burla <i>et al.</i>,  2005)'
_diffrn_ambient_temperature      100.0(10)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID imaging-plate'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.095
_diffrn_reflns_av_sigmaI/netI    0.033
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            27799
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        31.6
_diffrn_reflns_theta_max         31.6
_diffrn_reflns_theta_min         3.1
_exptl_absorpt_coefficient_mu    18.924
_exptl_absorpt_correction_T_max  0.200
_exptl_absorpt_correction_T_min  0.018
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(NUMABS; Higashi, 1999)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.280
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         5.91
_refine_diff_density_min         -5.04
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.19
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     91
_refine_ls_number_reflns         2909
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.19
_refine_ls_R_factor_all          0.042
_refine_ls_R_factor_gt           0.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0244P)^2^+97.8696P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.102
_refine_ls_wR_factor_ref         0.102
_reflns_number_gt                2909
_reflns_number_total             2909
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk2187.cif
_cod_data_source_block           I
_cod_original_cell_volume        1730.28(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2215280
_cod_database_fobs_code          2215280