[Au~2~(C~6~H~5~CS~2~)(μ-dppm)~2~]Cl
Wang, J.-C.; Liu, L.-K.; Acta Crystallographica Section C 50 (1994) 704–706; doi:10.1107/S0108270193010911

data_2009708
_publ_section_title
;
 [Au~2~(C~6~H~5~CS~2~)(\m-dppm)~2~]Cl
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              704
_journal_page_last               706
_journal_paper_doi               10.1107/S0108270193010911
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C57 H49 Au2 Cl P4 S2'
_chemical_formula_weight         1351.44
_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_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 98.94(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.5830(10)
_cell_length_b                   19.334(2)
_cell_length_c                   23.416(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      15
_cell_measurement_theta_min      7
_cell_volume                     5180.2(19)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            7427
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        -3.6
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.93
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.722
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'dark reddish-green'
_exptl_crystal_density_diffrn    1.732
_exptl_crystal_description       irregular
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.830
_refine_diff_density_min         -1.826
_refine_ls_goodness_of_fit_obs   1.346
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4613
_refine_ls_R_factor_obs          0.034
_refine_ls_shift/esd_max         0.04
_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          4613
_reflns_number_total             7020
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            hu1048.cif
_cod_data_source_block           hu1048_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '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        5182.(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C57 H49 Au2 Cl1 P4 S2'
_cod_database_code               2009708