2,2'-Bipyridinedichlorogold(III) Tetrafluoroborate
McInnes, E. J. L.; Welch, A. J.; Yellowlees, L. J.; Acta Crystallographica Section C 51 (1995) 2023–2025; doi:10.1107/S0108270195005099

data_2004035
_publ_section_title
;
 2,2'-Bipyridinedichlorogold(III) Tetrafluoroborate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2023
_journal_page_last               2025
_journal_paper_doi               10.1107/S0108270195005099
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'see text'
_chemical_formula_sum            'C10 H8 Au B Cl2 F4 N2'
_chemical_formula_weight         510.83
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           'IntTabIV and SHELX76 (Sheldrick, 1976)'
_cell_angle_alpha                90
_cell_angle_beta                 96.33(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.850(4)
_cell_length_b                   12.852(5)
_cell_length_c                   15.537(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    291
_cell_measurement_theta_max      13
_cell_measurement_theta_min      12
_cell_volume                     1359.5(11)
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.048
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2599
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 500
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    11.22
_exptl_absorpt_correction_T_max  0.50
_exptl_absorpt_correction_T_min  0.24
_exptl_absorpt_correction_type   'empirical, \DF (Walker & Stuart, 1983)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.495
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_refine_diff_density_max         '2.34 [near F(3) and F(4)]'
_refine_diff_density_min         -1.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.284
_refine_ls_hydrogen_treatment    'H atoms: see text'
_refine_ls_number_parameters     162
_refine_ls_number_reflns         2041
_refine_ls_R_factor_obs          0.0437
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.000804F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0592
_reflns_number_observed          2041
_reflns_number_total             2381
_reflns_observed_criterion       F>2\s(F)
_cod_data_source_file            mu1181.cif
_cod_data_source_block           mu1181a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' 1/[\s^2^(F)+0.000804F^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)+0.000804F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1359.5(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2004035