Bis[bis(triphenylphosphoranylidene)ammonium] Bis[cyanodithiocarbimatogold(I)], [PPN]~2~[Au~2~(S~2~CNCN)~2~]
Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P.; Acta Crystallographica Section C 51 (1995) 2271–2273; doi:10.1107/S0108270195004628

data_2004092
_publ_section_title
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 Bis[bis(triphenylphosphoranylidene)ammonium]
 Bis[cyanodithiocarbimatogold(I)], [PPN]~2~[Au~2~(S~2~CNCN)~2~]
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_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2271
_journal_page_last               2273
_journal_paper_doi               10.1107/S0108270195004628
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C76 H60 Au2 N6 P4 S4'
_chemical_formula_sum            'C76 H60 Au2 N6 P4 S4'
_chemical_formula_weight         1703.43
_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                105.08(1)
_cell_angle_beta                 109.83(1)
_cell_angle_gamma                95.33(1)
_cell_formula_units_Z            1
_cell_length_a                   11.416(1)
_cell_length_b                   11.749(1)
_cell_length_c                   14.501(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     1731.1(3)
_diffrn_measurement_device       R3m/E
_diffrn_measurement_method       Wyckoff
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0165
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4989
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.49
_exptl_absorpt_correction_T_max  0.957
_exptl_absorpt_correction_T_min  0.698
_exptl_absorpt_correction_type   'empirical, \y scans (6 reflections)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_description       block
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.834
_refine_diff_density_min         -1.56
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.014
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     415
_refine_ls_number_reflns         3924
_refine_ls_R_factor_obs          0.0290
_refine_ls_shift/esd_max         -0.016
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + gFo^2^], g = 0.00093'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0380
_reflns_number_observed          3924
_reflns_number_total             4167
_reflns_observed_criterion       Fo^2^>3\s(Fo)^2^
_cod_data_source_file            bk1099.cif
_cod_data_source_block           bk1099a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(Fo) + gFo^2^], g =
0.00093' 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^(Fo) + gFo^2^], g = 0.00093'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        1731.1(4)
_cod_database_code               2004092