Tetrapotassium [μ~2~-<i>N</i>-carboxylato-<small>D</small>-penicillaminato(3‒)-5:6κ^2^<i>S</i>:<i>S</i>][μ~2~-<small>D</small>-penicillaminato(1‒)-2:3κ^2^<i>S</i>:<i>S</i>]tetrakis[μ~2~-<small>D</small>-penicillaminato(2‒)]-1:2κ^3^<i>N</i>,<i>S</i>:<i>S</i>;1:6κ^3^<i>N</i>,<i>S</i>:<i>S</i>;3:4κ^3^<i>S</i>:<i>N</i>,<i>S</i>;4:5κ^3^<i>N</i>,<i>S</i>:<i>S</i>-2,3,5,6-tetragold(I)-1,4-dinickel(II) ethanol monosolvate decahydrate
Hashimoto, Yuji; Taguchi, Mai; Yoshinari, Nobuto; Konno, Takumi; Acta Crystallographica Section C 66 (2010) m160–m162; doi:10.1107/S0108270110016550

data_2017680
_publ_section_title
;
 Tetrapotassium
 [\m~2~-<i>N</i>-carboxylato-<small>D</small>-penicillaminato(3--)-5:6\k^2^<i>S</i>:<i>S</i>][\m~2~-<small>D</small>-penicillaminato(1--)-2:3\k^2^<i>S</i>:<i>S</i>]tetrakis[\m~2~-<small>D</small>-penicillaminato(2--)]-1:2\k^3^<i>N</i>,<i>S</i>:<i>S</i>;1:6\k^3^<i>N</i>,<i>S</i>:<i>S</i>;3:4\k^3^<i>S</i>:<i>N</i>,<i>S</i>;4:5\k^3^<i>N</i>,<i>S</i>:<i>S</i>-2,3,5,6-tetragold(I)-1,4-dinickel(II)
 ethanol monosolvate decahydrate
;
_journal_coeditor_code           LG3031
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m160
_journal_page_last               m162
_journal_paper_doi               10.1107/S0108270110016550
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'K4 [Au4 Ni2 (C6 H8 N O4 S) (C5 H9 N O2 S)4 (C5 H10 N O2 S)], C2 H6 O, 10H2 O'
_chemical_formula_moiety
'4(K +), C31 H54 Au4 N6 Ni2 O14 S6 4-, C2 H6 O, 10(H2 O)'
_chemical_formula_sum            'C33 H79 Au4 K4 N6 Ni2 O25 S6'
_chemical_formula_weight         2214.06
_chemical_name_systematic
;
Tetrapotassium [\m~2~-<i>N</i>-carboxylato-D-penicillaminato(3-)-
5:6\k^2^<i>S</i>:<i>S</i>][\m~2~-D-penicillaminato(1-)-
2,3\k^2^<i>S</i>:<i>S</i>]tetrakis[\m~2~-D-penicillaminato(2-)]-
1:2\k^3^<i>N</i>,<i>S</i>:<i>S</i>;
1:6\k^3^<i>N</i>,<i>S</i>:<i>S</i>;
3:4\k^3^<i>S</i>:<i>N</i>,<i>S</i>;
4:5\k^3^<i>N</i>,<i>S</i>:<i>S</i>-2,3,5,6-tetragold(I)-1,4-dinickel(II)
ethanol monosolvate decahydrate 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.998(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.9638(18)
_cell_length_b                   22.644(4)
_cell_length_c                   14.723(3)
_cell_measurement_reflns_used    34450
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      30.1
_cell_measurement_theta_min      3.0
_cell_volume                     3289.5(11)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'Mercury (Macrae <i>et al.</i>,  2006)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_sigmaI/netI    0.0741
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            38154
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    9.965
_exptl_absorpt_correction_T_max  0.6913
_exptl_absorpt_correction_T_min  0.3164
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(ABSCOR; Higashi, 1995)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.236
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2128
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.142
_refine_diff_density_min         -0.965
_refine_ls_abs_structure_details 'Flack (1983).  8079 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.005(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     804
_refine_ls_number_reflns         17713
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0298
_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^)+(0.0056P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0589
_refine_ls_wR_factor_ref         0.0641
_reflns_number_gt                16029
_reflns_number_total             17713
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lg3031.cif
_cod_data_source_block           I
_cod_original_cell_volume        3289.5(10)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2017680
_cod_database_fobs_code          2017680