[Hydroxytris(pentafluorophenyl)borato-<i>O</i>][<i>N</i>-isopropyl-2-(isopropylamino)troponiminato-<i>N</i>]methylindium(III)
Guzei, Ilia A.; Delpech, Fabien; Jordan, Richard F.; Acta Crystallographica Section C 56 (2000) e327–e328; doi:10.1107/S010827010000963X

data_2011267
_publ_section_title
'[Hydroxytris(pentafluorophenyl)borato-<i>O</i>][<i>N</i>-isopropyl-2-(isopropylamino)troponiminato-<i>N</i>]methylindium(III)'
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e327
_journal_page_last               e328
_journal_paper_doi               10.1107/S010827010000963X
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[In (C H3) (C18 H B F15 O) (C13 H19 N2)]'
_chemical_formula_sum            'C32 H23 B F15 In N2 O'
_chemical_formula_weight         862.15
_chemical_name_systematic
;
  ?
;
_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'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.2010(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.6683(16)
_cell_length_b                   18.7739(16)
_cell_length_c                   19.8049(17)
_cell_measurement_reflns_used    6872
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      27
_cell_measurement_theta_min      2
_cell_volume                     6504.2(9)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full .994
_diffrn_measured_fraction_theta_max .994
_diffrn_measurement_device_type  'Bruker CCD-1000 area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .029
_diffrn_reflns_av_sigmaI/netI    .0468
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            41003
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.06
_diffrn_standards_decay_%        <1
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    .844
_exptl_absorpt_correction_T_max  .751
_exptl_absorpt_correction_T_min  .713
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.761
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3408
_exptl_crystal_size_max          .43
_exptl_crystal_size_mid          .40
_exptl_crystal_size_min          .36
_refine_diff_density_max         .683
_refine_diff_density_min         -.676
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   .966
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     947
_refine_ls_number_reflns         13220
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      .967
_refine_ls_R_factor_all          .058
_refine_ls_R_factor_gt           .031
_refine_ls_shift/su_max          .002
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0350P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .075
_reflns_number_gt                9101
_reflns_number_total             13220
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qa0351.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2011267
_cod_database_fobs_code          2011267