Structure of trichloro(triphenylphosphine)gold(III), [AuCl~3~{P(C~6~H~5~)~3~}]
Staples, R.J.; Elduque, A.; Grant, T.; Fackler, J.P. Jr; Acta Crystallographica Section C 50 (1994) 39–40; doi:10.1107/S0108270193006043

data_2009375
_publ_section_title
;
 Structure of trichloro(triphenylphosphine)gold(III),
 [AuCl~3~{P(C~6~H~5~)~3~}]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              39
_journal_page_last               40
_journal_paper_doi               10.1107/S0108270193006043
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C18 H15 Au Cl3 P'
_chemical_formula_weight         565.6
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.87(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.881(5)
_cell_length_b                   13.393(6)
_cell_length_c                   14.396(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      30
_cell_measurement_theta_min      25
_cell_volume                     1904.9(14)
_diffrn_measurement_device       'Nicolet? R3m/E'
_diffrn_measurement_method       Wycoff
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            3839
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.213
_exptl_absorpt_correction_T_max  0.897
_exptl_absorpt_correction_T_min  0.652
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.97
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.71
_refine_diff_density_min         -1.45
_refine_ls_goodness_of_fit_obs   1.25
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     208
_refine_ls_number_reflns         2521
_refine_ls_R_factor_obs          0.029
_refine_ls_shift/esd_max         0.019
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=[\s^2^(F~o~)+0.00019F~o~^2^]^-1^
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.028
_reflns_number_observed          2521
_reflns_number_total             3721
_reflns_observed_criterion       F~o~^2^>3\s(F~o~)^2^
_cod_data_source_file            cr1064.cif
_cod_data_source_block           cr1064_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value
'w=[\s^2^(F~o~)+0.00019F~o~^2^]^-1^' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w=[\s^2^(F~o~)+0.00019F~o~^2^]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1905.0(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'Au1 Cl3 P1 C18 H15'
_cod_database_code               2009375