Bis(triethylphosphine)gold(I) bis(1,2-benzenedithiolato-<i>S</i>,<i>S</i>')gold(III), [Au{P(C~2~H~5~)~3~}~2~][Au(S~2~C~6~H~4~)~2~]
Dávila, R.M.; Staples, R.J.; Fackler Jr, J.P.; Acta Crystallographica Section C 50 (1994) 1898–1900; doi:10.1107/S0108270194005780

data_2010321
_publ_section_title
;
 Bis(triethylphosphine)gold(I)
 bis(1,2-benzenedithiolato-<i>S</i>,<i>S</i>')gold(III),
 [Au{P(C~2~H~5~)~3~}~2~][Au(S~2~C~6~H~4~)~2~]
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1898
_journal_page_last               1900
_journal_paper_doi               10.1107/S0108270194005780
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C24 H38 Au2 P2 S4'
_chemical_formula_weight         910.71
_space_group_IT_number           2
_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                86.13(3)
_cell_angle_beta                 84.09(3)
_cell_angle_gamma                80.51(3)
_cell_formula_units_Z            2
_cell_length_a                   9.532(4)
_cell_length_b                   12.696(5)
_cell_length_c                   13.116(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     1555.2(10)
_diffrn_measurement_device       'Nicolet R3m/E'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0367
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4562
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.780
_exptl_absorpt_correction_T_max  0.947
_exptl_absorpt_correction_T_min  0.432
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.945
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.89
_refine_diff_density_min         -1.14
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.218
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     292
_refine_ls_number_reflns         2708
_refine_ls_R_factor_obs          0.0350
_refine_ls_shift/esd_max         0.003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~)+0.00042F~o~^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0395
_reflns_number_observed          2708
_reflns_number_total             2874
_reflns_observed_criterion       F~o~^2^>3\s(F~o~)^2^
_cod_data_source_file            mu1100.cif
_cod_data_source_block           mu1100a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F~o~)+0.00042F~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~)+0.00042F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1555.0(10)
_cod_database_code               2010321