Ammonium dichlorobis(dimethylglyoximato-<i>N</i>,<i>N</i>')iridate(III)
Ohashi, Masataka; Kajiyama, Kazumasa; Yuge, Hidetaka; Miyamoto, Takeshi Ken; Acta Crystallographica Section C 56 (2000) e38–e39; doi:10.1107/S010827010000038X

data_2010672
_publ_section_title
;
 Ammonium
 dichlorobis(dimethylglyoximato-<i>N</i>,<i>N</i>')iridate(III)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e38
_journal_page_last               e39
_journal_paper_doi               10.1107/S010827010000038X
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '(N1 H4) [Ir Cl2 (C4 H7 N2 O2)2]'
_chemical_formula_moiety         'N1 H4 N 1+, C8 H14 Cl2 Ir N4 O4 1-'
_chemical_formula_sum            'C8 H18 Cl2 Ir N5 O4'
_chemical_formula_weight         511.37
_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'
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 124.752(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.3948(13)
_cell_length_b                   7.4649(14)
_cell_length_c                   13.2477(16)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      14.965
_cell_measurement_theta_min      14.655
_cell_volume                     1494.6(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1993a)
;
_computing_data_reduction
'TEXSAN PROCESS (Molecular Structure Corporation, 1993b)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating Mo anticathode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  .014
_diffrn_reflns_av_sigmaI/netI    .0173
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            2266
_diffrn_reflns_theta_full        30.0
_diffrn_reflns_theta_max         30.0
_diffrn_reflns_theta_min         2.7
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.310
_exptl_absorpt_correction_T_max  .359
_exptl_absorpt_correction_T_min  .282
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            intense_green
_exptl_crystal_density_diffrn    2.273
_exptl_crystal_density_meas      2.27
_exptl_crystal_density_method    'flotation in CCl~4~/CBr~4~'
_exptl_crystal_description       prism
_exptl_crystal_F_000             976
_exptl_crystal_size_max          .15
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .11
_refine_diff_density_max         .57
_refine_diff_density_min         -.75
_refine_ls_extinction_coef       .00299(8)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     130
_refine_ls_number_reflns         2177
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          .0251
_refine_ls_R_factor_gt           .0139
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0167P)^2^+1.0240P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0345
_reflns_number_gt                1686
_reflns_number_total             2177
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qb0165.cif
_cod_data_source_block           I
_cod_original_cell_volume        1494.6(3)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2010672
_cod_database_fobs_code          2010672