#------------------------------------------------------------------------------
#$Date: 2019-12-26 22:13:08 +0200 (Thu, 26 Dec 2019) $
#$Revision: 246156 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/18/2311896.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2311896
loop_
_publ_author_name
'Celania, Chris'
'Smetana, Volodymyr'
'Mudring, Anja Verena'
_publ_section_title
;
 Crystal structures and new perspectives on Y₃Au₄
 and Y₁₄Au₅₁.
;
_journal_coeditor_code           WQ3137
_journal_issue                   'Pt 9'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              692
_journal_page_last               696
_journal_paper_doi               10.1107/S2053229617011068
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          'Y14 Au51'
_chemical_formula_sum            'Au51 Y14'
_chemical_formula_weight         11290.03
_chemical_name_systematic
;
Tetradecayttrium henpentacontagold
;
_space_group_crystal_system      hexagonal
_space_group_IT_number           175
_space_group_name_Hall           '-P 6'
_space_group_name_H-M_alt        'P 6/m'
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   12.5433(17)
_cell_length_b                   12.5433(17)
_cell_length_c                   9.1389(14)
_cell_measurement_reflns_used    12877
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.983
_cell_measurement_theta_min      2.229
_cell_volume                     1245.2(3)
_computing_cell_refinement
;
SAINT (Bruker, 2015)
;
_computing_data_collection
;
APEX3 (Bruker, 2015)
;
_computing_data_reduction
;
SAINT (Bruker, 2015)
;
_computing_molecular_graphics
;
'DIAMOND (Brandenburg, 2006)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Venture'
_diffrn_measurement_method       'w scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12877
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.983
_diffrn_reflns_theta_min         2.229
_exptl_absorpt_coefficient_mu    165.568
_exptl_absorpt_correction_T_max  0.06
_exptl_absorpt_correction_T_min  0.01
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
[Blessing (1995) OR SADABS (Krause et al.,  2015)]
;
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    15.056
_exptl_crystal_description       'irregular fragment'
_exptl_crystal_F_000             4575
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.261
_refine_diff_density_min         -2.500
_refine_ls_extinction_coef       0.000329(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2014 (Sheldrick, 2015b)
;
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     62
_refine_ls_number_reflns         1075
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0270
_refine_ls_R_factor_gt           0.0223
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0098P)²+45.9960P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0418
_refine_ls_wR_factor_ref         0.0437
_reflns_number_gt                994
_reflns_number_total             1075
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            wq3137sup1.cif
_cod_data_source_block           vsYAu_0m
_cod_original_cell_volume        1245.2(4)
_cod_database_code               2311896
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x-y, x, z'
'y, -x+y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z'
'-x, -y, -z'
'-x+y, -x, -z'
'-y, x-y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
Au Au1 0.10236(4) 0.44248(4) 0.33624(4) 0.00635(12) Uani d 1
Au Au2 0.26705(4) 0.07670(4) 0.23249(5) 0.00579(12) Uani d 1
Au Au3 0.49390(4) 0.11652(4) 0.15151(4) 0.00630(12) Uani d 1
Au Au4 0.05851(5) 0.23798(5) 0.5000 0.00462(14) Uani d 1
Au Au5 0.02801(12) 0.13909(11) 0.0000 0.0075(3) Uani d 0.5
Au Au6 0.3333 0.6667 0.31031(8) 0.00596(16) Uani d 1
Au Au7 0.3333 0.6667 0.0000 0.0094(2) Uani d 1
Y Y1 0.46512(14) 0.14113(14) 0.5000 0.0039(3) Uani d 1
Y Y2 0.11316(15) 0.39227(16) 0.0000 0.0104(3) Uani d 1
Y Y3 0.0000 0.0000 0.3018(3) 0.0034(5) Uani d 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
Au3 Au1 Au4 3_565 . 171.85(2)
Au3 Au1 Au6 3_565 . 61.666(16)
Au4 Au1 Au6 . . 125.96(2)
Au3 Au1 Au3 3_565 4 63.156(19)
Au4 Au1 Au3 . 4 108.88(2)
Au6 Au1 Au3 . 4 124.41(2)
Au3 Au1 Au2 3_565 4 112.435(19)
Au4 Au1 Au2 . 4 59.603(16)
Au6 Au1 Au2 . 4 150.78(2)
Au3 Au1 Au2 4 4 54.779(14)
Au3 Au1 Au1 3_565 12_556 127.804(14)
Au4 Au1 Au1 . 12_556 57.388(12)
Au6 Au1 Au1 . 12_556 94.744(17)
Au3 Au1 Au1 4 12_556 124.659(13)
Au2 Au1 Au1 4 12_556 108.595(12)
Au3 Au1 Y1 3_565 9_556 109.87(3)
Au4 Au1 Y1 . 9_556 66.20(3)
Au6 Au1 Y1 . 9_556 142.78(3)
Au3 Au1 Y1 4 9_556 65.20(2)
Au2 Au1 Y1 4 9_556 66.23(3)
Au1 Au1 Y1 12_556 9_556 60.499(16)
Au3 Au1 Y1 3_565 2 122.94(3)
Au4 Au1 Y1 . 2 64.59(3)
Au6 Au1 Y1 . 2 61.37(3)
Au3 Au1 Y1 4 2 168.96(3)
Au2 Au1 Y1 4 2 115.16(3)
Au1 Au1 Y1 12_556 2 60.540(17)
Y1 Au1 Y1 9_556 2 116.82(3)
Au3 Au1 Au2 3_565 2 120.06(2)
Au4 Au1 Au2 . 2 58.635(16)
Au6 Au1 Au2 . 2 97.393(15)
Au3 Au1 Au2 4 2 104.016(18)
Au2 Au1 Au2 4 2 59.287(16)
Au1 Au1 Au2 12_556 2 108.028(11)
Y1 Au1 Au2 9_556 2 115.85(3)
Y1 Au1 Au2 2 2 65.09(3)
Au3 Au1 Y1 3_565 3_565 66.79(2)
Au4 Au1 Y1 . 3_565 118.50(2)
Au6 Au1 Y1 . 3_565 60.61(3)
Au3 Au1 Y1 4 3_565 102.75(3)
Au2 Au1 Y1 4 3_565 146.74(3)
Au1 Au1 Y1 12_556 3_565 61.169(16)
Y1 Au1 Y1 9_556 3_565 82.47(4)
Y1 Au1 Y1 2 3_565 88.28(5)
Au2 Au1 Y1 2 3_565 152.17(3)
Au3 Au1 Y2 3_565 . 64.84(3)
Au4 Au1 Y2 . . 110.44(4)
Au6 Au1 Y2 . . 89.55(4)
Au3 Au1 Y2 4 . 61.12(3)
Au2 Au1 Y2 4 . 64.01(3)
Au1 Au1 Y2 12_556 . 167.04(3)
Y1 Au1 Y2 9_556 . 121.01(4)
Y1 Au1 Y2 2 . 111.68(4)
Au2 Au1 Y2 2 . 59.21(3)
Y1 Au1 Y2 3_565 . 131.02(4)
Au3 Au2 Au5 . 8 107.84(3)
Au3 Au2 Au5 . 3 112.81(3)
Au5 Au2 Au5 8 3 33.36(3)
Au3 Au2 Au4 . 8_556 113.29(2)
Au5 Au2 Au4 8 8_556 114.08(3)
Au5 Au2 Au4 3 8_556 130.86(3)
Au3 Au2 Au4 . 3 120.19(2)
Au5 Au2 Au4 8 3 130.96(3)
Au5 Au2 Au4 3 3 111.27(3)
Au4 Au2 Au4 8_556 3 56.052(18)
Au3 Au2 Au1 . 5 62.518(15)
Au5 Au2 Au1 8 5 107.53(3)
Au5 Au2 Au1 3 5 140.26(3)
Au4 Au2 Au1 8_556 5 56.781(16)
Au4 Au2 Au1 3 5 102.94(2)
Au3 Au2 Au2 . 2 125.154(19)
Au5 Au2 Au2 8 2 86.85(3)
Au5 Au2 Au2 3 2 56.15(2)
Au4 Au2 Au2 8_556 2 106.976(13)
Au4 Au2 Au2 3 2 58.475(14)
Au1 Au2 Au2 5 2 161.406(12)
Au3 Au2 Au2 . 3 112.347(19)
Au5 Au2 Au2 8 3 58.89(3)
Au5 Au2 Au2 3 3 88.54(3)
Au4 Au2 Au2 8_556 3 58.731(14)
Au4 Au2 Au2 3 3 107.084(13)
Au1 Au2 Au2 5 3 61.863(16)
Au2 Au2 Au2 2 3 120.0
Au3 Au2 Y3 . . 172.47(3)
Au5 Au2 Y3 8 . 66.54(5)
Au5 Au2 Y3 3 . 65.57(5)
Au4 Au2 Y3 8_556 . 66.46(4)
Au4 Au2 Y3 3 . 66.37(4)
Au1 Au2 Y3 5 . 113.56(3)
Au2 Au2 Y3 2 . 60.718(6)
Au2 Au2 Y3 3 . 60.718(6)
Au3 Au2 Au1 . 3 76.470(16)
Au5 Au2 Au1 8 3 135.48(3)
Au5 Au2 Au1 3 3 102.99(3)
Au4 Au2 Au1 8_556 3 103.33(2)
Au4 Au2 Au1 3 3 55.682(15)
Au1 Au2 Au1 5 3 112.921(16)
Au2 Au2 Au1 2 3 58.850(15)
Au2 Au2 Au1 3 3 161.742(11)
Y3 Au2 Au1 . 3 111.02(2)
Au3 Au2 Y2 . 3 66.83(3)
Au5 Au2 Y2 8 3 78.88(4)
Au5 Au2 Y2 3 3 56.50(4)
Au4 Au2 Y2 8_556 3 165.07(3)
Au4 Au2 Y2 3 3 110.19(3)
Au1 Au2 Y2 5 3 128.42(3)
Au2 Au2 Y2 2 3 64.87(3)
Au2 Au2 Y2 3 3 135.92(2)
Y3 Au2 Y2 . 3 115.52(5)
Au1 Au2 Y2 3 3 61.84(3)
Au3 Au2 Y2 . 8 62.06(3)
Au5 Au2 Y2 8 8 54.92(4)
Au5 Au2 Y2 3 8 81.85(4)
Au4 Au2 Y2 8_556 8 105.59(3)
Au4 Au2 Y2 3 8 161.51(3)
Au1 Au2 Y2 5 8 60.68(3)
Au2 Au2 Y2 2 8 137.48(2)
Au2 Au2 Y2 3 8 58.83(3)
Y3 Au2 Y2 . 8 110.51(4)
Au1 Au2 Y2 3 8 136.12(3)
Y2 Au2 Y2 3 8 87.798(17)
Au2 Au3 Au1 . 2_655 125.00(2)
Au2 Au3 Au3 . 12 105.707(13)
Au1 Au3 Au3 2_655 12 127.803(14)
Au2 Au3 Au7 . 7_665 122.101(18)
Au1 Au3 Au7 2_655 7_665 96.937(17)
Au3 Au3 Au7 12 7_665 60.921(10)
Au2 Au3 Au6 . 2_655 105.008(18)
Au1 Au3 Au6 2_655 2_655 61.068(14)
Au3 Au3 Au6 12 2_655 120.237(16)
Au7 Au3 Au6 7_665 2_655 59.317(18)
Au2 Au3 Au1 . 5 62.702(15)
Au1 Au3 Au1 2_655 5 75.78(2)
Au3 Au3 Au1 12 5 124.659(13)
Au7 Au3 Au1 7_665 5 172.590(18)
Au6 Au3 Au1 2_655 5 114.88(2)
Au2 Au3 Au3 . 6_655 112.16(2)
Au1 Au3 Au3 2_655 6_655 61.909(15)
Au3 Au3 Au3 12 6_655 90.0
Au7 Au3 Au3 7_665 6_655 123.004(19)
Au6 Au3 Au3 2_655 6_655 122.580(19)
Au1 Au3 Au3 5 6_655 54.935(14)
Au2 Au3 Y2 . 8 67.15(3)
Au1 Au3 Y2 2_655 8 123.00(3)
Au3 Au3 Y2 12 8 63.624(16)
Au7 Au3 Y2 7_665 8 124.05(2)
Au6 Au3 Y2 2_655 8 172.15(3)
Au1 Au3 Y2 5 8 62.36(2)
Au3 Au3 Y2 6_655 8 62.70(3)
Au2 Au3 Y2 . 2_655 166.16(3)
Au1 Au3 Y2 2_655 2_655 63.65(2)
Au3 Au3 Y2 12 2_655 64.234(16)
Au7 Au3 Y2 7_665 2_655 62.81(3)
Au6 Au3 Y2 2_655 2_655 88.63(3)
Au1 Au3 Y2 5 2_655 114.00(3)
Au3 Au3 Y2 6_655 2_655 60.40(3)
Y2 Au3 Y2 8 2_655 99.21(4)
Au2 Au3 Y2 . 3 61.64(3)
Au1 Au3 Y2 2_655 3 149.16(3)
Au3 Au3 Y2 12 3 64.444(15)
Au7 Au3 Y2 7_665 3 62.48(3)
Au6 Au3 Y2 2_655 3 88.15(3)
Au1 Au3 Y2 5 3 123.51(3)
Au3 Au3 Y2 6_655 3 148.03(3)
Y2 Au3 Y2 8 3 87.78(5)
Y2 Au3 Y2 2_655 3 117.55(5)
Au2 Au3 Y1 . . 66.14(3)
Au1 Au3 Y1 2_655 . 61.78(3)
Au3 Au3 Y1 12 . 169.67(3)
Au7 Au3 Y1 7_665 . 117.06(3)
Au6 Au3 Y1 2_655 . 58.78(3)
Au1 Au3 Y1 5 . 58.46(3)
Au3 Au3 Y1 6_655 . 98.93(3)
Y2 Au3 Y1 8 . 116.05(3)
Y2 Au3 Y1 2_655 . 124.89(3)
Y2 Au3 Y1 3 . 105.37(3)
Au4 Au4 Au4 2 3 120.0000(10)
Au4 Au4 Au1 2 . 113.38(2)
Au4 Au4 Au1 3 . 116.43(2)
Au4 Au4 Au1 2 12_556 113.38(2)
Au4 Au4 Au1 3 12_556 116.43(2)
Au1 Au4 Au1 . 12_556 65.23(2)
Au4 Au4 Au2 2 4 62.122(16)
Au4 Au4 Au2 3 4 115.570(12)
Au1 Au4 Au2 . 4 63.616(15)
Au1 Au4 Au2 12_556 4 118.43(2)
Au4 Au4 Au2 2 9_556 62.122(16)
Au4 Au4 Au2 3 9_556 115.570(12)
Au1 Au4 Au2 . 9_556 118.43(2)
Au1 Au4 Au2 12_556 9_556 63.615(15)
Au2 Au4 Au2 4 9_556 117.28(3)
Au4 Au4 Au2 2 11_556 115.680(12)
Au4 Au4 Au2 3 11_556 61.827(16)
Au1 Au4 Au2 . 11_556 120.41(2)
Au1 Au4 Au2 12_556 11_556 65.686(15)
Au2 Au4 Au2 4 11_556 175.71(3)
Au2 Au4 Au2 9_556 11_556 62.795(16)
Au4 Au4 Au2 2 2 115.680(13)
Au4 Au4 Au2 3 2 61.827(16)
Au1 Au4 Au2 . 2 65.685(15)
Au1 Au4 Au2 12_556 2 120.41(2)
Au2 Au4 Au2 4 2 62.795(16)
Au2 Au4 Au2 9_556 2 175.71(3)
Au2 Au4 Au2 11_556 2 116.77(3)
Au4 Au4 Y1 2 2 174.03(3)
Au4 Au4 Y1 3 2 65.97(3)
Au1 Au4 Y1 . 2 61.84(3)
Au1 Au4 Y1 12_556 2 61.84(3)
Au2 Au4 Y1 4 2 116.188(17)
Au2 Au4 Y1 9_556 2 116.188(17)
Au2 Au4 Y1 11_556 2 66.401(18)
Au2 Au4 Y1 2 2 66.401(18)
Au4 Au4 Y1 2 9_556 63.42(3)
Au4 Au4 Y1 3 9_556 176.58(3)
Au1 Au4 Y1 . 9_556 60.86(3)
Au1 Au4 Y1 12_556 9_556 60.86(3)
Au2 Au4 Y1 4 9_556 65.576(17)
Au2 Au4 Y1 9_556 9_556 65.576(17)
Au2 Au4 Y1 11_556 9_556 117.239(17)
Au2 Au4 Y1 2 9_556 117.239(17)
Y1 Au4 Y1 2 9_556 110.61(3)
Au4 Au4 Y3 2 . 65.483(12)
Au4 Au4 Y3 3 . 65.483(12)
Au1 Au4 Y3 . . 113.46(4)
Au1 Au4 Y3 12_556 . 177.95(3)
Au2 Au4 Y3 4 . 59.59(3)
Au2 Au4 Y3 9_556 . 116.52(4)
Au2 Au4 Y3 11_556 . 116.29(4)
Au2 Au4 Y3 2 . 59.52(3)
Y1 Au4 Y3 2 . 119.17(3)
Y1 Au4 Y3 9_556 . 117.20(3)
Au4 Au4 Y3 2 7_556 65.483(12)
Au4 Au4 Y3 3 7_556 65.483(12)
Au1 Au4 Y3 . 7_556 177.95(3)
Au1 Au4 Y3 12_556 7_556 113.45(4)
Au2 Au4 Y3 4 7_556 116.52(4)
Au2 Au4 Y3 9_556 7_556 59.59(3)
Au2 Au4 Y3 11_556 7_556 59.52(3)
Au2 Au4 Y3 2 7_556 116.29(4)
Y1 Au4 Y3 2 7_556 119.17(3)
Y1 Au4 Y3 9_556 7_556 117.20(3)
Y3 Au4 Y3 . 7_556 67.82(8)
Au5 Au5 Au5 3 2 120.0
Au5 Au5 Au2 3 9 128.67(3)
Au5 Au5 Au2 2 9 76.23(5)
Au5 Au5 Au2 3 4 128.67(3)
Au5 Au5 Au2 2 4 76.23(5)
Au2 Au5 Au2 9 4 101.79(5)
Au5 Au5 Au5 3 8 30.0
Au5 Au5 Au5 2 8 90.0
Au2 Au5 Au5 9 8 125.74(2)
Au2 Au5 Au5 4 8 125.74(2)
Au5 Au5 Au5 3 9 90.0000(10)
Au5 Au5 Au5 2 9 30.0
Au2 Au5 Au5 9 9 94.93(5)
Au2 Au5 Au5 4 9 94.93(5)
Au5 Au5 Au5 8 9 60.0
Au5 Au5 Y2 3 . 111.68(8)
Au5 Au5 Y2 2 . 128.32(8)
Au2 Au5 Y2 9 . 71.90(3)
Au2 Au5 Y2 4 . 71.90(3)
Au5 Au5 Y2 8 . 141.68(8)
Au5 Au5 Y2 9 . 158.32(8)
Au5 Au5 Au2 3 2 70.41(5)
Au5 Au5 Au2 2 2 131.18(2)
Au2 Au5 Au2 9 2 138.15(5)
Au2 Au5 Au2 4 2 64.963(16)
Au5 Au5 Au2 8 2 89.59(5)
Au5 Au5 Au2 9 2 124.51(3)
Y2 Au5 Au2 . 2 66.25(3)
Au5 Au5 Au2 3 11 70.41(5)
Au5 Au5 Au2 2 11 131.18(2)
Au2 Au5 Au2 9 11 64.963(17)
Au2 Au5 Au2 4 11 138.15(5)
Au5 Au5 Au2 8 11 89.59(5)
Au5 Au5 Au2 9 11 124.51(3)
Y2 Au5 Au2 . 11 66.25(3)
Au2 Au5 Au2 2 11 97.64(4)
Au5 Au5 Y3 3 7 75.483(13)
Au5 Au5 Y3 2 7 75.483(13)
Au2 Au5 Y3 9 7 61.48(2)
Au2 Au5 Y3 4 7 149.93(5)
Au5 Au5 Y3 8 7 64.27(2)
Au5 Au5 Y3 9 7 64.27(3)
Y2 Au5 Y3 . 7 119.74(3)
Au2 Au5 Y3 2 7 144.41(5)
Au2 Au5 Y3 11 7 60.71(2)
Au5 Au5 Y3 3 . 75.483(13)
Au5 Au5 Y3 2 . 75.483(13)
Au2 Au5 Y3 9 . 149.93(5)
Au2 Au5 Y3 4 . 61.48(2)
Au5 Au5 Y3 8 . 64.27(2)
Au5 Au5 Y3 9 . 64.27(2)
Y2 Au5 Y3 . . 119.74(3)
Au2 Au5 Y3 2 . 60.71(2)
Au2 Au5 Y3 11 . 144.41(5)
Y3 Au5 Y3 7 . 119.82(6)
Au5 Au5 Au5 3 7 60.0
Au5 Au5 Au5 2 7 60.0
Au2 Au5 Au5 9 7 112.76(4)
Au2 Au5 Au5 4 7 112.76(4)
Au5 Au5 Au5 8 7 30.0
Au5 Au5 Au5 9 7 30.0
Y2 Au5 Au5 . 7 171.68(8)
Au2 Au5 Au5 2 7 108.85(4)
Au2 Au5 Au5 11 7 108.85(4)
Y3 Au5 Au5 7 7 59.91(3)
Y3 Au5 Au5 . 7 59.91(3)
Au7 Au6 Au1 . 4_665 94.744(17)
Au7 Au6 Au1 . . 94.744(17)
Au1 Au6 Au1 4_665 . 119.324(5)
Au7 Au6 Au1 . 5_565 94.744(17)
Au1 Au6 Au1 4_665 5_565 119.324(5)
Au1 Au6 Au1 . 5_565 119.323(5)
Au7 Au6 Au3 . 3_565 59.762(16)
Au1 Au6 Au3 4_665 3_565 151.89(3)
Au1 Au6 Au3 . 3_565 57.269(13)
Au1 Au6 Au3 5_565 3_565 77.503(13)
Au7 Au6 Au3 . 6_665 59.762(16)
Au1 Au6 Au3 4_665 6_665 77.503(13)
Au1 Au6 Au3 . 6_665 151.89(3)
Au1 Au6 Au3 5_565 6_665 57.269(13)
Au3 Au6 Au3 3_565 6_665 96.87(2)
Au7 Au6 Au3 . 2 59.762(16)
Au1 Au6 Au3 4_665 2 57.269(13)
Au1 Au6 Au3 . 2 77.504(13)
Au1 Au6 Au3 5_565 2 151.89(3)
Au3 Au6 Au3 3_565 2 96.87(2)
Au3 Au6 Au3 6_665 2 96.87(2)
Au7 Au6 Y1 . 3_565 125.05(2)
Au1 Au6 Y1 4_665 3_565 140.20(3)
Au1 Au6 Y1 . 3_565 63.60(3)
Au1 Au6 Y1 5_565 3_565 62.21(3)
Au3 Au6 Y1 3_565 3_565 66.50(2)
Au3 Au6 Y1 6_665 3_565 119.40(3)
Au3 Au6 Y1 2 3_565 140.85(3)
Au7 Au6 Y1 . 7_666 125.05(2)
Au1 Au6 Y1 4_665 7_666 62.21(3)
Au1 Au6 Y1 . 7_666 140.20(3)
Au1 Au6 Y1 5_565 7_666 63.60(3)
Au3 Au6 Y1 3_565 7_666 140.85(3)
Au3 Au6 Y1 6_665 7_666 66.50(2)
Au3 Au6 Y1 2 7_666 119.40(3)
Y1 Au6 Y1 3_565 7_666 90.31(3)
Au7 Au6 Y1 . 2 125.05(2)
Au1 Au6 Y1 4_665 2 63.60(3)
Au1 Au6 Y1 . 2 62.21(3)
Au1 Au6 Y1 5_565 2 140.20(3)
Au3 Au6 Y1 3_565 2 119.40(3)
Au3 Au6 Y1 6_665 2 140.85(3)
Au3 Au6 Y1 2 2 66.50(2)
Y1 Au6 Y1 3_565 2 90.31(3)
Y1 Au6 Y1 7_666 2 90.31(3)
Au6 Au7 Au6 8_565 . 180.0
Au6 Au7 Au3 8_565 10_565 60.922(10)
Au6 Au7 Au3 . 10_565 119.079(10)
Au6 Au7 Au3 8_565 6_665 119.080(10)
Au6 Au7 Au3 . 6_665 60.921(10)
Au3 Au7 Au3 10_565 6_665 128.178(5)
Au6 Au7 Au3 8_565 3_565 119.080(10)
Au6 Au7 Au3 . 3_565 60.921(10)
Au3 Au7 Au3 10_565 3_565 58.16(2)
Au3 Au7 Au3 6_665 3_565 98.377(12)
Au6 Au7 Au3 8_565 7_665 60.921(10)
Au6 Au7 Au3 . 7_665 119.079(10)
Au3 Au7 Au3 10_565 7_665 98.377(12)
Au3 Au7 Au3 6_665 7_665 58.158(19)
Au3 Au7 Au3 3_565 7_665 128.178(5)
Au6 Au7 Au3 8_565 11 60.920(10)
Au6 Au7 Au3 . 11 119.079(10)
Au3 Au7 Au3 10_565 11 98.377(12)
Au3 Au7 Au3 6_665 11 128.178(5)
Au3 Au7 Au3 3_565 11 128.178(5)
Au3 Au7 Au3 7_665 11 98.377(13)
Au6 Au7 Au3 8_565 2 119.078(10)
Au6 Au7 Au3 . 2 60.921(10)
Au3 Au7 Au3 10_565 2 128.178(5)
Au3 Au7 Au3 6_665 2 98.377(12)
Au3 Au7 Au3 3_565 2 98.377(12)
Au3 Au7 Au3 7_665 2 128.178(5)
Au3 Au7 Au3 11 2 58.16(2)
Au6 Au7 Y2 8_565 . 90.0
Au6 Au7 Y2 . . 90.0
Au3 Au7 Y2 10_565 . 63.81(3)
Au3 Au7 Y2 6_665 . 150.919(10)
Au3 Au7 Y2 3_565 . 63.81(3)
Au3 Au7 Y2 7_665 . 150.919(10)
Au3 Au7 Y2 11 . 64.37(3)
Au3 Au7 Y2 2 . 64.37(3)
Au6 Au7 Y2 8_565 8_565 90.0
Au6 Au7 Y2 . 8_565 90.0
Au3 Au7 Y2 10_565 8_565 64.37(3)
Au3 Au7 Y2 6_665 8_565 63.81(3)
Au3 Au7 Y2 3_565 8_565 64.37(3)
Au3 Au7 Y2 7_665 8_565 63.81(3)
Au3 Au7 Y2 11 8_565 150.919(10)
Au3 Au7 Y2 2 8_565 150.919(10)
Y2 Au7 Y2 . 8_565 120.0000(10)
Au6 Au7 Y2 8_565 9_665 90.0
Au6 Au7 Y2 . 9_665 90.0
Au3 Au7 Y2 10_565 9_665 150.919(10)
Au3 Au7 Y2 6_665 9_665 64.37(3)
Au3 Au7 Y2 3_565 9_665 150.919(10)
Au3 Au7 Y2 7_665 9_665 64.37(3)
Au3 Au7 Y2 11 9_665 63.81(3)
Au3 Au7 Y2 2 9_665 63.81(3)
Y2 Au7 Y2 . 9_665 120.0
Y2 Au7 Y2 8_565 9_665 120.0
Au6 Y1 Au6 7_666 2_655 70.09(4)
Au6 Y1 Au1 7_666 5 152.94(5)
Au6 Y1 Au1 2_655 5 108.96(2)
Au6 Y1 Au1 7_666 8_556 108.96(2)
Au6 Y1 Au1 2_655 8_556 152.94(5)
Au1 Y1 Au1 5 8_556 59.00(3)
Au6 Y1 Au1 7_666 10_556 56.41(2)
Au6 Y1 Au1 2_655 10_556 90.67(4)
Au1 Y1 Au1 5 10_556 148.61(6)
Au1 Y1 Au1 8_556 10_556 111.67(3)
Au6 Y1 Au1 7_666 3 90.67(4)
Au6 Y1 Au1 2_655 3 56.41(2)
Au1 Y1 Au1 5 3 111.67(3)
Au1 Y1 Au1 8_556 3 148.61(6)
Au1 Y1 Au1 10_556 3 58.92(3)
Au6 Y1 Au1 7_666 11_656 55.79(2)
Au6 Y1 Au1 2_655 11_656 89.52(4)
Au1 Y1 Au1 5 11_656 97.53(4)
Au1 Y1 Au1 8_556 11_656 69.88(3)
Au1 Y1 Au1 10_556 11_656 107.15(3)
Au1 Y1 Au1 3 11_656 140.29(5)
Au6 Y1 Au1 7_666 2_655 89.52(4)
Au6 Y1 Au1 2_655 2_655 55.79(2)
Au1 Y1 Au1 5 2_655 69.88(3)
Au1 Y1 Au1 8_556 2_655 97.53(4)
Au1 Y1 Au1 10_556 2_655 140.29(5)
Au1 Y1 Au1 3 2_655 107.15(3)
Au1 Y1 Au1 11_656 2_655 57.66(3)
Au6 Y1 Au4 7_666 3 109.98(4)
Au6 Y1 Au4 2_655 3 109.98(4)
Au1 Y1 Au4 5 3 95.91(4)
Au1 Y1 Au4 8_556 3 95.91(4)
Au1 Y1 Au4 10_556 3 53.57(3)
Au1 Y1 Au4 3 3 53.57(3)
Au1 Y1 Au4 11_656 3 151.146(16)
Au1 Y1 Au4 2_655 3 151.146(16)
Au6 Y1 Au4 7_666 8_556 142.36(3)
Au6 Y1 Au4 2_655 8_556 142.36(3)
Au1 Y1 Au4 5 8_556 52.94(3)
Au1 Y1 Au4 8_556 8_556 52.94(3)
Au1 Y1 Au4 10_556 8_556 96.62(4)
Au1 Y1 Au4 3 8_556 96.62(4)
Au1 Y1 Au4 11_656 8_556 122.77(4)
Au1 Y1 Au4 2_655 8_556 122.77(4)
Au4 Y1 Au4 3 8_556 50.61(3)
Au6 Y1 Au3 7_666 . 123.52(5)
Au6 Y1 Au3 2_655 . 54.720(18)
Au1 Y1 Au3 5 . 56.346(17)
Au1 Y1 Au3 8_556 . 114.50(4)
Au1 Y1 Au3 10_556 . 128.51(4)
Au1 Y1 Au3 3 . 69.815(18)
Au1 Y1 Au3 11_656 . 108.99(4)
Au1 Y1 Au3 2_655 . 51.435(17)
Au4 Y1 Au3 3 . 99.72(3)
Au4 Y1 Au3 8_556 . 93.46(3)
Au6 Y1 Au3 7_666 12_556 54.720(18)
Au6 Y1 Au3 2_655 12_556 123.52(5)
Au1 Y1 Au3 5 12_556 114.50(4)
Au1 Y1 Au3 8_556 12_556 56.346(17)
Au1 Y1 Au3 10_556 12_556 69.815(18)
Au1 Y1 Au3 3 12_556 128.51(4)
Au1 Y1 Au3 11_656 12_556 51.435(17)
Au1 Y1 Au3 2_655 12_556 108.99(4)
Au4 Y1 Au3 3 12_556 99.72(3)
Au4 Y1 Au3 8_556 12_556 93.46(3)
Au3 Y1 Au3 . 12_556 159.33(5)
Au5 Y2 Au2 . 11 57.25(3)
Au5 Y2 Au2 . 2 57.25(3)
Au2 Y2 Au2 11 2 87.50(5)
Au5 Y2 Au3 . 9 96.61(5)
Au2 Y2 Au3 11 9 100.39(3)
Au2 Y2 Au3 2 9 142.63(6)
Au5 Y2 Au3 . 4 96.61(5)
Au2 Y2 Au3 11 4 142.63(6)
Au2 Y2 Au3 2 4 100.39(3)
Au3 Y2 Au3 9 4 52.75(3)
Au5 Y2 Au1 . . 101.33(3)
Au2 Y2 Au1 11 . 146.31(5)
Au2 Y2 Au1 2 . 58.949(16)
Au3 Y2 Au1 9 . 108.31(4)
Au3 Y2 Au1 4 . 56.516(19)
Au5 Y2 Au1 . 12 101.33(3)
Au2 Y2 Au1 11 12 58.950(16)
Au2 Y2 Au1 2 12 146.31(5)
Au3 Y2 Au1 9 12 56.515(19)
Au3 Y2 Au1 4 12 108.31(4)
Au1 Y2 Au1 . 12 154.07(6)
Au5 Y2 Au7 . . 150.05(6)
Au2 Y2 Au7 11 . 103.29(4)
Au2 Y2 Au7 2 . 103.29(4)
Au3 Y2 Au7 9 . 110.11(5)
Au3 Y2 Au7 4 . 110.11(5)
Au1 Y2 Au7 . . 83.33(3)
Au1 Y2 Au7 12 . 83.33(3)
Au5 Y2 Au3 . 3_565 148.61(4)
Au2 Y2 Au3 11 3_565 154.12(5)
Au2 Y2 Au3 2 3_565 107.37(2)
Au3 Y2 Au3 9 3_565 80.79(4)
Au3 Y2 Au3 4 3_565 56.89(3)
Au1 Y2 Au3 . 3_565 51.51(2)
Au1 Y2 Au3 12 3_565 102.99(5)
Au7 Y2 Au3 . 3_565 53.38(3)
Au5 Y2 Au3 . 10_565 148.61(4)
Au2 Y2 Au3 11 10_565 107.37(2)
Au2 Y2 Au3 2 10_565 154.12(5)
Au3 Y2 Au3 9 10_565 56.89(3)
Au3 Y2 Au3 4 10_565 80.79(4)
Au1 Y2 Au3 . 10_565 102.99(5)
Au1 Y2 Au3 12 10_565 51.51(2)
Au7 Y2 Au3 . 10_565 53.38(3)
Au3 Y2 Au3 3_565 10_565 51.53(3)
Au5 Y2 Au3 . 2 100.55(5)
Au2 Y2 Au3 11 2 88.54(4)
Au2 Y2 Au3 2 2 51.53(2)
Au3 Y2 Au3 9 2 162.83(6)
Au3 Y2 Au3 4 2 124.90(2)
Au1 Y2 Au3 . 2 68.85(2)
Au1 Y2 Au3 12 2 118.69(4)
Au7 Y2 Au3 . 2 53.15(3)
Au3 Y2 Au3 3_565 2 84.81(4)
Au3 Y2 Au3 10_565 2 106.53(5)
Au5 Y2 Au3 . 11 100.55(5)
Au2 Y2 Au3 11 11 51.53(2)
Au2 Y2 Au3 2 11 88.54(4)
Au3 Y2 Au3 9 11 124.90(2)
Au3 Y2 Au3 4 11 162.83(6)
Au1 Y2 Au3 . 11 118.69(4)
Au1 Y2 Au3 12 11 68.85(2)
Au7 Y2 Au3 . 11 53.15(3)
Au3 Y2 Au3 3_565 11 106.53(5)
Au3 Y2 Au3 10_565 11 84.81(4)
Au3 Y2 Au3 2 11 51.11(3)
Au2 Y3 Au2 . 5 115.81(3)
Au2 Y3 Au2 . 6 156.04(9)
Au2 Y3 Au2 5 6 58.564(11)
Au2 Y3 Au2 . 2 58.564(11)
Au2 Y3 Au2 5 2 156.04(9)
Au2 Y3 Au2 6 2 115.81(3)
Au2 Y3 Au2 . 3 58.565(11)
Au2 Y3 Au2 5 3 58.564(11)
Au2 Y3 Au2 6 3 115.81(3)
Au2 Y3 Au2 2 3 115.81(3)
Au2 Y3 Au2 . 4 115.81(3)
Au2 Y3 Au2 5 4 115.81(3)
Au2 Y3 Au2 6 4 58.564(11)
Au2 Y3 Au2 2 4 58.564(11)
Au2 Y3 Au2 3 4 156.04(9)
Au2 Y3 Au5 . 9 103.44(7)
Au2 Y3 Au5 5 9 51.98(3)
Au2 Y3 Au5 6 9 53.72(3)
Au2 Y3 Au5 2 9 104.88(7)
Au2 Y3 Au5 3 9 78.24(5)
Au2 Y3 Au5 4 9 81.06(5)
Au2 Y3 Au5 . 7 78.24(5)
Au2 Y3 Au5 5 7 53.72(3)
Au2 Y3 Au5 6 7 81.06(5)
Au2 Y3 Au5 2 7 103.44(7)
Au2 Y3 Au5 3 7 51.98(3)
Au2 Y3 Au5 4 7 104.88(7)
Au5 Y3 Au5 9 7 29.03(3)
Au2 Y3 Au5 . 2 104.88(7)
Au2 Y3 Au5 5 2 78.24(5)
Au2 Y3 Au5 6 2 51.98(3)
Au2 Y3 Au5 2 2 81.06(5)
Au2 Y3 Au5 3 2 103.44(7)
Au2 Y3 Au5 4 2 53.72(3)
Au5 Y3 Au5 9 2 29.03(3)
Au5 Y3 Au5 7 2 51.46(5)
Au2 Y3 Au5 . 8 51.98(3)
Au2 Y3 Au5 5 8 81.06(5)
Au2 Y3 Au5 6 8 104.88(7)
Au2 Y3 Au5 2 8 78.24(5)
Au2 Y3 Au5 3 8 53.72(3)
Au2 Y3 Au5 4 8 103.44(7)
Au5 Y3 Au5 9 8 51.46(5)
Au5 Y3 Au5 7 8 29.03(3)
Au5 Y3 Au5 2 8 60.18(6)
Au2 Y3 Au5 . 3 53.72(3)
Au2 Y3 Au5 5 3 104.88(7)
Au2 Y3 Au5 6 3 103.44(7)
Au2 Y3 Au5 2 3 51.98(3)
Au2 Y3 Au5 3 3 81.06(5)
Au2 Y3 Au5 4 3 78.24(5)
Au5 Y3 Au5 9 3 60.18(6)
Au5 Y3 Au5 7 3 51.46(5)
Au5 Y3 Au5 2 3 51.46(5)
Au5 Y3 Au5 8 3 29.03(3)
Au2 Y3 Au5 . . 81.06(5)
Au2 Y3 Au5 5 . 103.44(7)
Au2 Y3 Au5 6 . 78.24(5)
Au2 Y3 Au5 2 . 53.72(3)
Au2 Y3 Au5 3 . 104.87(7)
Au2 Y3 Au5 4 . 51.98(3)
Au5 Y3 Au5 9 . 51.46(5)
Au5 Y3 Au5 7 . 60.18(6)
Au5 Y3 Au5 2 . 29.03(3)
Au5 Y3 Au5 8 . 51.46(5)
Au5 Y3 Au5 3 . 29.03(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Au1 Au3 3_565 2.7542(7)
Au1 Au4 . 2.7769(7)
Au1 Au6 . 2.8654(6)
Au1 Au3 4 2.9686(7)
Au1 Au2 4 2.9735(7)
Au1 Au1 12_556 2.9933(9)
Au1 Y1 9_556 3.0393(14)
Au1 Y1 2 3.0429(14)
Au1 Au2 2 3.0640(7)
Au1 Y1 3_565 3.1036(14)
Au1 Y2 . 3.1532(7)
Au2 Au3 . 2.7337(7)
Au2 Au5 8 2.7381(9)
Au2 Au5 3 2.8229(10)
Au2 Au4 8_556 2.8630(6)
Au2 Au4 3 2.8708(6)
Au2 Au1 5 2.9735(7)
Au2 Au2 2 2.9872(6)
Au2 Au2 3 2.9872(6)
Au2 Y3 . 3.0537(8)
Au2 Au1 3 3.0639(7)
Au2 Y2 3 3.0723(13)
Au2 Y2 8 3.2509(14)
Au3 Au1 2_655 2.7542(7)
Au3 Au3 12 2.7692(9)
Au3 Au7 7_665 2.8489(5)
Au3 Au6 2_655 2.8818(6)
Au3 Au1 5 2.9686(7)
Au3 Au3 6_655 3.0024(10)
Au3 Y2 8 3.1167(15)
Au3 Y2 2_655 3.1852(17)
Au3 Y2 3 3.2096(16)
Au3 Y1 . 3.2373(7)
Au4 Au4 2 2.6942(7)
Au4 Au4 3 2.6942(7)
Au4 Au1 12_556 2.7769(7)
Au4 Au2 4 2.8630(6)
Au4 Au2 9_556 2.8630(6)
Au4 Au2 11_556 2.8709(6)
Au4 Au2 2 2.8709(6)
Au4 Y1 2 3.1175(17)
Au4 Y1 9_556 3.1837(16)
Au4 Y3 . 3.2463(15)
Au4 Y3 7_556 3.2463(15)
Au5 Au5 3 1.5982(12)
Au5 Au5 2 1.5983(12)
Au5 Au2 9 2.7381(9)
Au5 Au2 4 2.7381(9)
Au5 Au5 8 2.768(2)
Au5 Au5 9 2.768(2)
Au5 Y2 . 2.799(2)
Au5 Au2 2 2.8228(10)
Au5 Au2 11 2.8228(10)
Au5 Y3 7 3.188(2)
Au5 Y3 . 3.188(2)
Au5 Au5 7 3.196(2)
Au6 Au7 . 2.8358(9)
Au6 Au1 4_665 2.8653(6)
Au6 Au1 5_565 2.8654(6)
Au6 Au3 3_565 2.8818(6)
Au6 Au3 6_665 2.8818(6)
Au6 Au3 2 2.8818(6)
Au6 Y1 3_565 3.0189(13)
Au6 Y1 7_666 3.0189(13)
Au6 Y1 2 3.0189(13)
Au7 Au6 8_565 2.8358(9)
Au7 Au3 10_565 2.8488(5)
Au7 Au3 6_665 2.8488(5)
Au7 Au3 3_565 2.8488(5)
Au7 Au3 7_665 2.8488(5)
Au7 Au3 11 2.8488(5)
Au7 Au3 2 2.8488(5)
Au7 Y2 . 3.1572(18)
Au7 Y2 8_565 3.1572(18)
Au7 Y2 9_665 3.1572(18)
Y1 Au6 7_666 3.0190(13)
Y1 Au6 2_655 3.0190(13)
Y1 Au1 5 3.0393(14)
Y1 Au1 8_556 3.0393(14)
Y1 Au1 10_556 3.0429(14)
Y1 Au1 3 3.0429(14)
Y1 Au1 11_656 3.1037(14)
Y1 Au1 2_655 3.1037(14)
Y1 Au4 3 3.1174(16)
Y1 Au4 8_556 3.1837(16)
Y1 Au3 12_556 3.2374(7)
Y2 Au2 11 3.0723(13)
Y2 Au2 2 3.0723(13)
Y2 Au3 9 3.1167(15)
Y2 Au3 4 3.1167(15)
Y2 Au1 12 3.1532(7)
Y2 Au3 3_565 3.1852(16)
Y2 Au3 10_565 3.1852(17)
Y2 Au3 2 3.2096(15)
Y2 Au3 11 3.2096(15)
Y3 Au2 5 3.0537(8)
Y3 Au2 6 3.0537(8)
Y3 Au2 2 3.0537(8)
Y3 Au2 3 3.0537(8)
Y3 Au2 4 3.0537(8)
Y3 Au5 9 3.188(2)
Y3 Au5 7 3.188(2)
Y3 Au5 2 3.188(2)
Y3 Au5 8 3.188(2)
Y3 Au5 3 3.188(2)
