(<i>o</i>-Methoxybenzenethiolato)(triphenylphosphine)gold(I) diethyl ether solvate
Fackler Jr., J.P.; Staples, R.J.; Raptis, R.G.; Acta Crystallographica Section C 50 (1994) 523–525; doi:10.1107/S0108270193008157

data_2009659
_publ_section_title
;
 (<i>o</i>-Methoxybenzenethiolato)(triphenylphosphine)gold(I) diethyl
 ether solvate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              523
_journal_page_last               525
_journal_paper_doi               10.1107/S0108270193008157
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C25 H22 Au1 O1 P1 S1,0.25(C4 H10 O)'
_chemical_formula_sum            'C26 H24.5 Au O1.25 P S'
_chemical_formula_weight         616.98
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                94.468(7)
_cell_angle_beta                 97.417(7)
_cell_angle_gamma                98.720(7)
_cell_formula_units_Z            4
_cell_length_a                   12.3190(10)
_cell_length_b                   18.236(2)
_cell_length_c                   10.8830(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      35
_cell_measurement_theta_min      32
_cell_volume                     2384.5(4)
_diffrn_measurement_device       R3m/E
_diffrn_measurement_method       Wycoff
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6415
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.32
_exptl_absorpt_correction_T_max  0.984
_exptl_absorpt_correction_T_min  0.408
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.71
_exptl_crystal_description       rectangular
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.52
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.00
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     535
_refine_ls_number_reflns         4596
_refine_ls_R_factor_obs          0.0266
_refine_ls_shift/esd_max         0.025
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~) + 0.0041F~o~^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0271
_reflns_number_observed          4596
_reflns_number_total             6199
_reflns_observed_criterion       F~o~^2^>3\s(F~o~)^2^
_cod_data_source_file            st1072.cif
_cod_data_source_block           st1072_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F~o~) +
0.0041F~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~) + 0.0041F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C26 H24.5 Au1 O1.25 P1 S1'
_cod_database_code               2009659