[Au(PPh~3~)~2~]^+^[BF~4~]^{-^}
Wang, J.-C.; Acta Crystallographica Section C 52 (1996) 611–613; doi:10.1107/S0108270195012376

data_2004615
_publ_section_title
;
 [Au(PPh~3~)~2~]^+^[BF~4~]^{-^}
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              611
_journal_page_last               613
_journal_paper_doi               10.1107/S0108270195012376
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C36 H30 Au P2 1+ , B F4 1-'
_chemical_formula_sum            'C36 H30 Au B F4 P2'
_chemical_formula_weight         808.3
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 92.10(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   21.594(3)
_cell_length_b                   12.399(2)
_cell_length_c                   24.783(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     6631.0(16)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0233
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            4720
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.580
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.493
_exptl_absorpt_correction_type   'empirical,  \y scan'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.87
_refine_diff_density_min         -0.56
_refine_ls_extinction_coef       8E-6(6)
_refine_ls_extinction_method     'F^*^ = F[1 + 0.002F^2^/sin(2\q)]^-1/4^'
_refine_ls_goodness_of_fit_obs   1.03
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     124
_refine_ls_number_reflns         2302
_refine_ls_R_factor_obs          0.0395
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~)+0.0015F~o~^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0525
_reflns_number_observed          2302
_reflns_number_total             4337
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            hu1080.cif
_cod_data_source_block           hu1080a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F~o~)+0.0015F~o~^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~o~)+0.0015F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        6631.0(15)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2004615