The monoclinic phase [Au~2~(C~25~H~22~P~2~)~2~]Cl~2~.2CH~3~CN
Liou, L.-S.; Liu, C.-P.; Wang, J.-C.; Acta Crystallographica Section C 50 (1994) 538–540; doi:10.1107/S0108270193009308

data_2009580
_publ_section_title
;
 The monoclinic phase [Au~2~(C~25~H~22~P~2~)~2~]Cl~2~.2CH~3~CN
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_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              538
_journal_page_last               540
_journal_paper_doi               10.1107/S0108270193009308
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C50 H44 Au2 P4 , 2Cl1 , 2C2 N1'
_chemical_formula_sum            'C54 H50 Au2 Cl2 N2 P4'
_chemical_formula_weight         1305.6
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 113.50(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   12.341(2)
_cell_length_b                   19.580(2)
_cell_length_c                   11.464(3)
_cell_measurement_reflns_used    36
_cell_measurement_temperature    298
_cell_measurement_theta_max      14
_cell_measurement_theta_min      9
_cell_volume                     2540.4(9)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0274
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4830
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 500
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.037
_exptl_absorpt_correction_T_max  0.1460
_exptl_absorpt_correction_T_min  0.0922
_exptl_absorpt_correction_type   'empirical (\y scan)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_description       irregular
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.40
_refine_diff_density_min         -0.82
_refine_ls_goodness_of_fit_obs   0.61
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     229
_refine_ls_number_reflns         2501
_refine_ls_R_factor_obs          0.0362
_refine_ls_shift/esd_max         0.00
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~) + 0.0026F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0433
_reflns_number_observed          2506
_reflns_number_total             4446
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            al1054.cif
_cod_data_source_block           al1054_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F~o~) + 0.0026F^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~) +
0.0026F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2540.3(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C54 H40 Au2 Cl2 N2 P4'
_cod_database_code               2009580