Crystal structure of bis(15-crown-5)potassium bis(1,2-dicyanoethene- 1,2-dithiolate-S,S')aurate(I), [K(C~10~H~20~O~5~)~2~][Au(C~4~N~2~S~2~)~2~]
Niu, M.-J.; Kong, L.-Q.; Li, D.-C.; Dou, J.-M.; Zeitschrift für Kristallographie - New Crystal Structures 220 (2005) 327–329; doi:

data_8101733
_publ_section_title
;
Crystal structure of bis(15-crown-5)potassium bis(1,2-dicyanoethene-
1,2-dithiolate-S,S')aurate(I), [K(C~10~H~20~O~5~)~2~][Au(C~4~N~2~S~2~)~2~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              327
_journal_page_last               329
_journal_volume                  220
_journal_year                    2005
_chemical_formula_sum            'C28 H40 Au K N4 O10 S4'
_chemical_formula_weight         956.95
_chemical_melting_point_gt       573.15
_chemical_name_systematic
; 
bis(15-crown-5)potassium bis(1,2-dicyanoethene-1,2-dithiolate-S,S')aurate(I)
;
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                78.287(6)
_cell_angle_beta                 77.735(6)
_cell_angle_gamma                82.941(6)
_cell_formula_units_Z            2
_cell_length_a                   9.703(4)
_cell_length_b                   13.621(6)
_cell_length_c                   15.181(7)
_cell_measurement_reflns_used    4959
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.899
_cell_measurement_theta_min      2.783
_cell_volume                     1913.1(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       phi/omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0255
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10120
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    4.227
_exptl_absorpt_correction_T_max  0.3259
_exptl_absorpt_correction_T_min  0.2320
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'salmon pink'
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             956
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.35
_refine_diff_density_max         1.144
_refine_diff_density_min         -1.289
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         6666
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0625P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1003
_refine_ls_wR_factor_ref         0.1084
_reflns_number_gt                5287
_reflns_number_total             6666
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1473.cff
_cod_data_source_block           030324d
_cod_original_cell_volume        1913.0(15)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8101733