Bis(3,3'-dimethylene-2,2'-biquinolinium)tetrabromoaurate(III) dibromoaurate (I)
Baggio, R.F.; Moya, S.A.; Schmied, R.; Gulippi, M.; Guerrero, J.; Sartori, R.; Garland, M.T.; Acta Crystallographica Section C 50 (1994) 1701–1703; doi:10.1107/S0108270194000077

data_2010193
_publ_section_title
;
 Bis(3,3'-dimethylene-2,2'-biquinolinium)tetrabromoaurate(III)
 dibromoaurate (I)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1701
_journal_page_last               1703
_journal_paper_doi               10.1107/S0108270194000077
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C20 H14 Au1 Br3 N2'
_chemical_formula_sum            'C20 H14 Au Br3 N2'
_chemical_formula_weight         719.0
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                89.680(10)
_cell_angle_beta                 76.860(10)
_cell_angle_gamma                81.170(10)
_cell_formula_units_Z            2
_cell_length_a                   7.9570(10)
_cell_length_b                   9.4880(10)
_cell_length_c                   13.312(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     966.6(3)
_diffrn_measurement_device       'Siemens R3m'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0152
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3204
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 48
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    13.8
_exptl_absorpt_correction_T_max  0.138
_exptl_absorpt_correction_T_min  0.082
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            reddish
_exptl_crystal_density_diffrn    2.471
_exptl_crystal_description       polyhedron
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.73
_refine_diff_density_min         -0.95
_refine_ls_goodness_of_fit_obs   0.80
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     238
_refine_ls_number_reflns         2168
_refine_ls_R_factor_obs          0.0455
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.005F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0595
_reflns_number_observed          2168
_reflns_number_total             2547
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            hu1070.cif
_cod_data_source_block           hu1070_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F) + 0.005F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\s^2^(F) +
0.005F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        966.5(3)
_cod_original_formula_sum        'C20 H14 Au1 Br3 N2'
_cod_database_code               2010193