Structure of [Au(PPh~3~)~2~][C(CN)~3~]
Wang, J.-C.; Wang, Y.; Acta Crystallographica Section C 49 (1993) 131–132; doi:10.1107/S0108270192008461

data_2002083
_publ_section_title
;
 Structure of [Au(PPh~3~)~2~][C(CN)~3~]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              131
_journal_page_last               132
_journal_paper_doi               10.1107/S0108270192008461
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'Au1[P1 (C6 H5)3]2 (C4 N3)'
_chemical_formula_sum            'C40 H30 Au N3 P2'
_chemical_formula_weight         811.62
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 97.44(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.336(2)
_cell_length_b                   14.108(2)
_cell_length_c                   19.875(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      14
_cell_measurement_theta_min      9.5
_cell_volume                     3429.9(16)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6301
_diffrn_reflns_theta_max         25.0
_diffrn_standards_decay_%        3
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.40
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6788
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_description       'crystal description?'
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.616
_refine_diff_density_min         -0.586
_refine_ls_goodness_of_fit_obs   0.495
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     236
_refine_ls_number_reflns         2890
_refine_ls_R_factor_obs          0.033
_refine_ls_shift/esd_max         0.05
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F~o~^2^/[\s^2^(I)+(0.02F~o~^2^)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.037
_reflns_number_observed          2890
_reflns_number_total             6014
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ha1016.cif
_cod_data_source_block           ha1016a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w =
4F~o~^2^/[\s^2^(I)+(0.02F~o~^2^)^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 4F~o~^2^/[\s^2^(I)+(0.02F~o~^2^)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3430.(2)
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        'C40 H30 Au1 N3 P2'
_cod_database_code               2002083