(Acridine-<i>N</i>)trichlorogold(III)
Sloufova, Ivana; Slouf, Miroslav; Acta Crystallographica Section C 57 (2001) 248–249; doi:10.1107/S0108270100018151

data_2011781
_publ_section_title
;
 (Acridine-<i>N</i>)trichlorogold(III)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              248
_journal_page_last               249
_journal_paper_doi               10.1107/S0108270100018151
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Au Cl3 (C13 H9 N)]'
_chemical_formula_moiety         'C13 H9 Au Cl3 N'
_chemical_formula_sum            'C13 H9 Au Cl3 N'
_chemical_formula_weight         482.53
_chemical_name_common            acridine-trichlorogold(III)
_chemical_name_systematic        (acridine-N)trichlorogold(III)
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL97
_cell_angle_alpha                71.115(3)
_cell_angle_beta                 84.066(3)
_cell_angle_gamma                67.921(2)
_cell_formula_units_Z            2
_cell_length_a                   7.6207(4)
_cell_length_b                   9.5869(5)
_cell_length_c                   10.6829(5)
_cell_measurement_reflns_used    3668
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      1
_cell_volume                     684.16(6)
_computing_cell_refinement       'SCALEPACK (Otwinowski & Minor 1997)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction
'DENZO (Otwinowski & Minor 1997) and SCALEPACK'
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean .110
_diffrn_measured_fraction_theta_full .994
_diffrn_measured_fraction_theta_max .994
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f and \w scans'
_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  .032
_diffrn_reflns_av_sigmaI/netI    .046
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5224
_diffrn_reflns_theta_full        25.06
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         3.22
_exptl_absorpt_coefficient_mu    11.316
_exptl_absorpt_correction_T_max  .546
_exptl_absorpt_correction_T_min  .102
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '(NUMERIC; Nonius, 1999)'
_exptl_crystal_colour            'dark orange'
_exptl_crystal_density_diffrn    2.342
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             448
_exptl_crystal_size_max          .21
_exptl_crystal_size_mid          .11
_exptl_crystal_size_min          .06
_refine_diff_density_max         .99
_refine_diff_density_min         -1.20
_refine_ls_extinction_coef       .0058(5)
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         2413
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          .028
_refine_ls_R_factor_gt           .025
_refine_ls_shift/su_max          .034
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0142P)^2^+0.3962P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .059
_reflns_number_gt                2229
_reflns_number_total             2413
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            av1055.cif
_cod_data_source_block           I
_cod_depositor_comments
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The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2011781
_cod_database_fobs_code          2011781