(η^4^-1,5-Cyclooctadiene)(<i>N</i>-hydroxy-4-methoxy-<i>N</i>-methylthiobenzamido-<i>O</i>,<i>S</i>)iridium(I)
Theron, M.; Basson, S. S.; Purcell, W.; Acta Crystallographica Section C 51 (1995) 1750–1752; doi:10.1107/S0108270195002666

data_2003903
_publ_section_title
(\h^4^-1,5-Cyclooctadiene)(<i>N</i>-hydroxy-4-methoxy-<i>N</i>-methylthiobenzamido-<i>O</i>,<i>S</i>)iridium(I)
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1750
_journal_page_last               1752
_journal_paper_doi               10.1107/S0108270195002666
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C17 H22 Ir1 N1 O2 S1'
_chemical_formula_sum            'C17 H22 Ir N O2 S'
_chemical_formula_weight         496.6
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           'Cromer & Mann (1968)'
_cell_angle_alpha                90.
_cell_angle_beta                 95.37(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.811(3)
_cell_length_b                   10.122(1)
_cell_length_c                   13.176(5)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    298
_cell_measurement_theta_max      17
_cell_measurement_theta_min      16
_cell_volume                     1701.1(8)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0174
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3313
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        1.6
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.46
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.766
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.94
_exptl_crystal_density_meas      1.90
_exptl_crystal_density_method    'flotation in NaI'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.9
_refine_diff_density_min         -1.6
_refine_ls_extinction_method     none
_refine_ls_hydrogen_treatment    'see text'
_refine_ls_number_parameters     206
_refine_ls_number_reflns         2517
_refine_ls_R_factor_obs          0.032
_refine_ls_shift/esd_max         0.082
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.032
_reflns_number_observed          2517
_reflns_number_total             2793
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            jz1014.cif
_cod_data_source_block           jz1014a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C17 H22 Ir1 N1 O2 S1'
_cod_database_code               2003903