#------------------------------------------------------------------------------
#$Date: 2016-03-22 22:11:28 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179034 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/32/4123237.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4123237
loop_
_publ_author_name
'Wan, Xian-Kai'
'Tang, Qing'
'Yuan, Shang-Fu'
'Jiang, De-En'
'Wang, Quan-Ming'
_publ_section_title
;
 Au19 nanocluster featuring a v-shaped alkynyl-gold motif.
;
_journal_issue                   2
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              652
_journal_page_last               655
_journal_paper_doi               10.1021/ja512133a
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C147 H114 Au19 Cl6 F12 N3 O0 P6 Sb2'
_chemical_formula_weight         6534.80
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           146
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   20.3230(3)
_cell_length_b                   20.3230(3)
_cell_length_c                   31.8618(9)
_cell_measurement_temperature    173(2)
_cell_volume                     11396.6(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.858
_diffrn_measurement_device_type  'Oxford Gemini S Ultra'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_sigmaI/netI    0.0471
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            13448
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.10
_diffrn_reflns_theta_min         3.13
_exptl_absorpt_coefficient_mu    18.840
_exptl_absorpt_correction_T_max  0.1166
_exptl_absorpt_correction_T_min  0.0768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown-red
_exptl_crystal_density_diffrn    2.856
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block-like
_exptl_crystal_F_000             8760
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.325
_refine_diff_density_min         -2.506
_refine_diff_density_rms         0.265
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.294(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         7555
_refine_ls_number_restraints     293
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0352
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0476P)²+217.9639P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0896
_refine_ls_wR_factor_ref         0.0924
_reflns_number_gt                7205
_reflns_number_total             7555
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja512133a_si_001.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4123237.cif.
;
_cod_original_sg_symbol_H-M      R3
_cod_database_code               4123237
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Au1 Au 1.0000 1.0000 0.50466(3) 0.01220(15) Uani 1 3 d S
Au2 Au 1.14191(3) 1.00792(3) 0.491760(17) 0.01705(12) Uani 1 1 d .
Au3 Au 0.85951(3) 0.99573(3) 0.519470(17) 0.01736(12) Uani 1 1 d .
Au4 Au 0.99290(3) 0.91586(3) 0.436350(16) 0.01750(12) Uani 1 1 d .
Au5 Au 1.08398(3) 1.00846(3) 0.573503(16) 0.01743(12) Uani 1 1 d .
Au6 Au 1.26598(3) 1.16367(3) 0.455558(19) 0.02259(13) Uani 1 1 d .
Au7 Au 1.26227(3) 1.11056(3) 0.557178(19) 0.02243(12) Uani 1 1 d .
C11 C 0.9515(8) 0.8011(9) 0.4076(5) 0.024(3) Uani 1 1 d U
C12 C 0.9913(9) 0.8452(9) 0.3774(5) 0.027(3) Uani 1 1 d U
C13 C 1.0265(6) 0.8717(6) 0.3380(3) 0.026(3) Uani 1 1 d GU
C14 C 1.0233(7) 0.8180(5) 0.3098(3) 0.036(3) Uani 1 1 d GU
H14 H 0.9985 0.7658 0.3175 0.043 Uiso 1 1 calc R
C15 C 1.0563(7) 0.8405(6) 0.2703(3) 0.042(3) Uani 1 1 d GU
H15 H 1.0541 0.8038 0.2511 0.050 Uiso 1 1 calc R
C16 C 1.0925(7) 0.9168(7) 0.2591(3) 0.043(4) Uani 1 1 d GU
H16 H 1.1151 0.9322 0.2321 0.051 Uiso 1 1 calc R
C17 C 1.0958(7) 0.9705(5) 0.2872(3) 0.042(4) Uani 1 1 d GU
H17 H 1.1205 1.0226 0.2796 0.051 Uiso 1 1 calc R
C18 C 1.0628(7) 0.9480(5) 0.3267(3) 0.036(3) Uani 1 1 d GU
H18 H 1.0650 0.9847 0.3460 0.043 Uiso 1 1 calc R
C21 C 1.3335(9) 1.1754(9) 0.5120(5) 0.026(3) Uani 1 1 d U
C22 C 1.3816(9) 1.2158(9) 0.4845(5) 0.027(3) Uani 1 1 d U
C23 C 1.4495(5) 1.2658(6) 0.4624(4) 0.035(3) Uani 1 1 d GU
C24 C 1.5150(7) 1.3147(7) 0.4845(3) 0.042(3) Uani 1 1 d GU
H24 H 1.5147 1.3140 0.5143 0.050 Uiso 1 1 calc R
C25 C 1.5808(5) 1.3646(7) 0.4630(4) 0.053(4) Uani 1 1 d GU
H25 H 1.6256 1.3981 0.4781 0.063 Uiso 1 1 calc R
C26 C 1.5812(6) 1.3656(7) 0.4194(4) 0.053(4) Uani 1 1 d GU
H26 H 1.6262 1.3997 0.4047 0.064 Uiso 1 1 calc R
C27 C 1.5158(7) 1.3167(8) 0.3973(3) 0.055(4) Uani 1 1 d GU
H27 H 1.5160 1.3174 0.3675 0.066 Uiso 1 1 calc R
C28 C 1.4499(6) 1.2668(7) 0.4188(4) 0.049(4) Uani 1 1 d GU
H28 H 1.4052 1.2333 0.4037 0.059 Uiso 1 1 calc R
C31 C 1.1954(9) 1.0447(9) 0.6016(5) 0.022(3) Uani 1 1 d U
C32 C 1.1505(10) 1.0003(10) 0.6285(6) 0.032(3) Uani 1 1 d U
C33 C 1.1162(4) 0.9556(5) 0.6669(2) 0.034(3) Uani 1 1 d GU
C34 C 1.1656(4) 0.9491(6) 0.6945(3) 0.043(4) Uani 1 1 d GU
H34 H 1.2171 0.9679 0.6868 0.051 Uiso 1 1 calc R
C35 C 1.1396(4) 0.9152(5) 0.7335(3) 0.047(4) Uani 1 1 d GU
H35 H 1.1734 0.9107 0.7524 0.056 Uiso 1 1 calc R
C36 C 1.0643(5) 0.8877(6) 0.7448(2) 0.051(4) Uani 1 1 d GU
H36 H 1.0465 0.8644 0.7714 0.061 Uiso 1 1 calc R
C37 C 1.0149(4) 0.8941(5) 0.7172(2) 0.047(4) Uani 1 1 d GU
H37 H 0.9634 0.8753 0.7249 0.057 Uiso 1 1 calc R
C38 C 1.0409(4) 0.9281(4) 0.6782(2) 0.032(3) Uani 1 1 d GU
H38 H 1.0071 0.9325 0.6593 0.038 Uiso 1 1 calc R
C111 C 0.6712(4) 0.9537(4) 0.5091(3) 0.034(3) Uani 1 1 d GU
C112 C 0.6298(4) 0.9759(5) 0.5343(3) 0.044(3) Uani 1 1 d GU
H112 H 0.6317 0.9728 0.5639 0.053 Uiso 1 1 calc R
C113 C 0.5855(5) 1.0026(6) 0.5160(3) 0.053(4) Uani 1 1 d GU
H113 H 0.5572 1.0178 0.5331 0.064 Uiso 1 1 calc R
C114 C 0.5826(4) 1.0072(5) 0.4725(3) 0.052(4) Uani 1 1 d GU
H114 H 0.5524 1.0254 0.4600 0.063 Uiso 1 1 calc R
C115 C 0.6240(5) 0.9850(5) 0.4474(3) 0.048(4) Uani 1 1 d GU
H115 H 0.6220 0.9881 0.4177 0.058 Uiso 1 1 calc R
C116 C 0.6683(5) 0.9583(5) 0.4657(3) 0.041(3) Uani 1 1 d GU
H116 H 0.6966 0.9431 0.4485 0.049 Uiso 1 1 calc R
C121 C 0.7021(9) 0.9042(10) 0.5852(6) 0.032(3) Uani 1 1 d U
C122 C 0.6375(12) 0.8371(11) 0.5986(6) 0.047(4) Uani 1 1 d U
H122 H 0.6135 0.7941 0.5806 0.057 Uiso 1 1 calc R
C123 C 0.6097(13) 0.8348(12) 0.6383(7) 0.056(4) Uani 1 1 d U
H123 H 0.5631 0.7919 0.6465 0.067 Uiso 1 1 calc R
C124 C 0.6473(12) 0.8922(12) 0.6658(6) 0.051(4) Uani 1 1 d U
H124 H 0.6288 0.8889 0.6935 0.061 Uiso 1 1 calc R
C125 C 0.7145(11) 0.9569(13) 0.6525(6) 0.048(4) Uani 1 1 d U
H125 H 0.7412 0.9979 0.6715 0.058 Uiso 1 1 calc R
C126 C 0.7411(10) 0.9619(11) 0.6144(6) 0.039(3) Uani 1 1 d U
H126 H 0.7876 1.0055 0.6066 0.047 Uiso 1 1 calc R
C211 C 0.7126(4) 0.7953(3) 0.4250(2) 0.028(3) Uani 1 1 d GU
C212 C 0.6497(5) 0.7998(5) 0.4120(3) 0.036(3) Uani 1 1 d GU
H212 H 0.6183 0.8053 0.4322 0.043 Uiso 1 1 calc R
C213 C 0.6327(5) 0.7963(5) 0.3695(3) 0.047(4) Uani 1 1 d GU
H213 H 0.5897 0.7994 0.3607 0.057 Uiso 1 1 calc R
C214 C 0.6786(6) 0.7882(5) 0.3401(2) 0.051(4) Uani 1 1 d GU
H214 H 0.6670 0.7857 0.3110 0.061 Uiso 1 1 calc R
C215 C 0.7415(5) 0.7836(5) 0.3531(2) 0.049(4) Uani 1 1 d GU
H215 H 0.7728 0.7781 0.3329 0.058 Uiso 1 1 calc R
C216 C 0.7585(4) 0.7872(5) 0.3956(2) 0.036(3) Uani 1 1 d GU
H216 H 0.8015 0.7841 0.4045 0.043 Uiso 1 1 calc R
C221 C 0.6859(3) 0.6971(3) 0.4967(2) 0.031(3) Uani 1 1 d GU
C222 C 0.6705(5) 0.6785(5) 0.5389(2) 0.040(3) Uani 1 1 d GU
H222 H 0.6820 0.7172 0.5590 0.048 Uiso 1 1 calc R
C223 C 0.6384(5) 0.6032(5) 0.5516(2) 0.054(4) Uani 1 1 d GU
H223 H 0.6278 0.5905 0.5805 0.065 Uiso 1 1 calc R
C224 C 0.6216(5) 0.5466(4) 0.5221(3) 0.050(4) Uani 1 1 d GU
H224 H 0.5996 0.4951 0.5308 0.060 Uiso 1 1 calc R
C225 C 0.6370(6) 0.5652(3) 0.4799(3) 0.048(4) Uani 1 1 d GU
H225 H 0.6256 0.5265 0.4598 0.057 Uiso 1 1 calc R
C226 C 0.6692(4) 0.6405(3) 0.4672(2) 0.038(3) Uani 1 1 d GU
H226 H 0.6797 0.6532 0.4383 0.045 Uiso 1 1 calc R
N1 N 0.6907(8) 0.8320(8) 0.5076(5) 0.033(3) Uani 1 1 d .
H1A H 0.6412 0.8028 0.5100 0.040 Uiso 1 1 calc R
P1 P 0.7303(2) 0.9189(2) 0.53059(12) 0.0203(7) Uani 1 1 d .
P2 P 0.7365(2) 0.7964(2) 0.48089(13) 0.0217(8) Uani 1 1 d .
Sb1 Sb 0.3333 0.6667 0.6122(2) 0.1369(19) Uiso 1 3 d SD
F12 F 0.4104(13) 0.679(2) 0.6474(8) 0.211(14) Uiso 1 1 d D
F11 F 0.2394(13) 0.647(3) 0.5941(12) 0.29(2) Uiso 1 1 d D
Cl1 Cl 0.8367(10) 0.6533(11) 0.3051(6) 0.192(6) Uiso 1 1 d D
Cl2 Cl 0.6887(15) 0.5835(15) 0.3407(7) 0.269(10) Uiso 1 1 d D
C1S C 0.7497(14) 0.580(2) 0.3070(12) 0.113(12) Uiso 1 1 d D
H1SB H 0.7533 0.5345 0.3136 0.136 Uiso 1 1 calc R
H1SA H 0.7276 0.5728 0.2785 0.136 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Au4 Au1 Au4 62.89(3) 2_765 3_675
Au4 Au1 Au4 62.89(3) 2_765 .
Au4 Au1 Au4 62.89(3) 3_675 .
Au4 Au1 Au5 114.340(15) 2_765 .
Au4 Au1 Au5 174.228(17) 3_675 .
Au4 Au1 Au5 121.060(15) . .
Au4 Au1 Au5 121.060(16) 2_765 2_765
Au4 Au1 Au5 114.340(15) 3_675 2_765
Au4 Au1 Au5 174.228(17) . 2_765
Au5 Au1 Au5 62.13(3) . 2_765
Au4 Au1 Au5 174.228(17) 2_765 3_675
Au4 Au1 Au5 121.060(16) 3_675 3_675
Au4 Au1 Au5 114.340(15) . 3_675
Au5 Au1 Au5 62.13(3) . 3_675
Au5 Au1 Au5 62.13(3) 2_765 3_675
Au4 Au1 Au2 118.41(4) 2_765 3_675
Au4 Au1 Au2 69.73(2) 3_675 3_675
Au4 Au1 Au2 61.57(2) . 3_675
Au5 Au1 Au2 115.61(3) . 3_675
Au5 Au1 Au2 112.92(3) 2_765 3_675
Au5 Au1 Au2 61.785(18) 3_675 3_675
Au4 Au1 Au2 61.57(2) 2_765 .
Au4 Au1 Au2 118.41(4) 3_675 .
Au4 Au1 Au2 69.73(2) . .
Au5 Au1 Au2 61.785(18) . .
Au5 Au1 Au2 115.61(3) 2_765 .
Au5 Au1 Au2 112.92(3) 3_675 .
Au2 Au1 Au2 117.939(11) 3_675 .
Au4 Au1 Au2 69.73(2) 2_765 2_765
Au4 Au1 Au2 61.57(2) 3_675 2_765
Au4 Au1 Au2 118.41(4) . 2_765
Au5 Au1 Au2 112.92(3) . 2_765
Au5 Au1 Au2 61.785(18) 2_765 2_765
Au5 Au1 Au2 115.61(3) 3_675 2_765
Au2 Au1 Au2 117.939(11) 3_675 2_765
Au2 Au1 Au2 117.939(11) . 2_765
Au4 Au1 Au3 62.687(18) 2_765 3_675
Au4 Au1 Au3 112.01(3) 3_675 3_675
Au4 Au1 Au3 118.71(3) . 3_675
Au5 Au1 Au3 62.67(2) . 3_675
Au5 Au1 Au3 66.85(2) 2_765 3_675
Au5 Au1 Au3 116.97(4) 3_675 3_675
Au2 Au1 Au3 178.23(3) 3_675 3_675
Au2 Au1 Au3 61.103(16) . 3_675
Au2 Au1 Au3 63.616(16) 2_765 3_675
Au4 Au1 Au3 112.01(3) 2_765 2_765
Au4 Au1 Au3 118.71(3) 3_675 2_765
Au4 Au1 Au3 62.687(18) . 2_765
Au5 Au1 Au3 66.85(2) . 2_765
Au5 Au1 Au3 116.97(4) 2_765 2_765
Au5 Au1 Au3 62.67(2) 3_675 2_765
Au2 Au1 Au3 61.103(16) 3_675 2_765
Au2 Au1 Au3 63.616(16) . 2_765
Au2 Au1 Au3 178.23(3) 2_765 2_765
Au3 Au1 Au3 117.317(13) 3_675 2_765
Au4 Au1 Au3 118.71(3) 2_765 .
Au4 Au1 Au3 62.686(18) 3_675 .
Au4 Au1 Au3 112.01(3) . .
Au5 Au1 Au3 116.97(4) . .
Au5 Au1 Au3 62.67(2) 2_765 .
Au5 Au1 Au3 66.85(2) 3_675 .
Au2 Au1 Au3 63.616(16) 3_675 .
Au2 Au1 Au3 178.23(3) . .
Au2 Au1 Au3 61.103(16) 2_765 .
Au3 Au1 Au3 117.317(13) 3_675 .
Au3 Au1 Au3 117.317(13) 2_765 .
P2 Au2 Au1 145.98(10) 2_765 .
P2 Au2 Au4 133.05(11) 2_765 2_765
Au1 Au2 Au4 57.31(2) . 2_765
P2 Au2 Au5 119.13(10) 2_765 .
Au1 Au2 Au5 57.29(2) . .
Au4 Au2 Au5 106.89(2) 2_765 .
P2 Au2 Au3 152.80(10) 2_765 3_675
Au1 Au2 Au3 59.709(17) . 3_675
Au4 Au2 Au3 60.764(19) 2_765 3_675
Au5 Au2 Au3 60.676(18) . 3_675
P2 Au2 Au3 88.90(10) 2_765 2_765
Au1 Au2 Au3 58.440(16) . 2_765
Au4 Au2 Au3 104.54(2) 2_765 2_765
Au5 Au2 Au3 63.317(18) . 2_765
Au3 Au2 Au3 111.59(3) 3_675 2_765
P2 Au2 Au7 91.22(10) 2_765 .
Au1 Au2 Au7 112.28(3) . .
Au4 Au2 Au7 117.82(2) 2_765 .
Au5 Au2 Au7 64.677(19) . .
Au3 Au2 Au7 63.430(17) 3_675 .
Au3 Au2 Au7 119.81(2) 2_765 .
P2 Au2 Au6 98.38(10) 2_765 .
Au1 Au2 Au6 113.22(2) . .
Au4 Au2 Au6 66.035(18) 2_765 .
Au5 Au2 Au6 117.28(2) . .
Au3 Au2 Au6 63.641(18) 3_675 .
Au3 Au2 Au6 170.52(2) 2_765 .
Au7 Au2 Au6 66.393(19) . .
P2 Au2 Au4 101.97(10) 2_765 .
Au1 Au2 Au4 53.50(2) . .
Au4 Au2 Au4 55.97(2) 2_765 .
Au5 Au2 Au4 103.59(2) . .
Au3 Au2 Au4 104.33(2) 3_675 .
Au3 Au2 Au4 55.957(17) 2_765 .
Au7 Au2 Au4 165.76(2) . .
Au6 Au2 Au4 116.13(2) . .
P1 Au3 Au1 145.74(10) . .
P1 Au3 Au2 153.34(10) . 2_765
Au1 Au3 Au2 59.188(17) . 2_765
P1 Au3 Au4 120.14(10) . 3_675
Au1 Au3 Au4 56.54(2) . 3_675
Au2 Au3 Au4 58.890(18) 2_765 3_675
P1 Au3 Au5 134.86(10) . 2_765
Au1 Au3 Au5 56.63(2) . 2_765
Au2 Au3 Au5 59.127(19) 2_765 2_765
Au4 Au3 Au5 104.27(2) 3_675 2_765
P1 Au3 Au2 88.85(10) . 3_675
Au1 Au3 Au2 57.944(16) . 3_675
Au2 Au3 Au2 111.24(3) 2_765 3_675
Au4 Au3 Au2 65.211(18) 3_675 3_675
Au5 Au3 Au2 103.65(2) 2_765 3_675
P1 Au3 Au5 101.53(10) . 3_675
Au1 Au3 Au5 54.70(2) . 3_675
Au2 Au3 Au5 104.23(2) 2_765 3_675
Au4 Au3 Au5 105.17(2) 3_675 3_675
Au5 Au3 Au5 56.14(2) 2_765 3_675
Au2 Au3 Au5 56.151(18) 3_675 3_675
P1 Au3 Au7 101.74(10) . 2_765
Au1 Au3 Au7 110.22(2) . 2_765
Au2 Au3 Au7 61.421(18) 2_765 2_765
Au4 Au3 Au7 114.39(2) 3_675 2_765
Au5 Au3 Au7 63.439(18) 2_765 2_765
Au2 Au3 Au7 166.93(3) 3_675 2_765
Au5 Au3 Au7 113.47(2) 3_675 2_765
P1 Au3 Au6 93.05(10) . 2_765
Au1 Au3 Au6 111.15(3) . 2_765
Au2 Au3 Au6 61.658(17) 2_765 2_765
Au4 Au3 Au6 64.675(19) 3_675 2_765
Au5 Au3 Au6 114.20(2) 2_765 2_765
Au2 Au3 Au6 122.57(2) 3_675 2_765
Au5 Au3 Au6 165.23(2) 3_675 2_765
Au7 Au3 Au6 65.053(18) 2_765 2_765
C11 Au4 C12 32.4(6) . .
C11 Au4 Au1 148.5(4) . .
C12 Au4 Au1 178.0(4) . .
C11 Au4 Au4 152.6(4) . 2_765
C12 Au4 Au4 120.3(4) . 2_765
Au1 Au4 Au4 58.554(14) . 2_765
C11 Au4 Au4 128.9(4) . 3_675
C12 Au4 Au4 122.6(4) . 3_675
Au1 Au4 Au4 58.554(14) . 3_675
Au4 Au4 Au4 60.0 2_765 3_675
C11 Au4 Au2 91.9(4) . 3_675
C12 Au4 Au2 120.6(4) . 3_675
Au1 Au4 Au2 61.122(16) . 3_675
Au4 Au4 Au2 114.146(19) 2_765 3_675
Au4 Au4 Au2 67.94(2) 3_675 3_675
C11 Au4 Au3 92.8(4) . 2_765
C12 Au4 Au3 119.0(4) . 2_765
Au1 Au4 Au3 60.77(2) . 2_765
Au4 Au4 Au3 107.150(18) 2_765 2_765
Au4 Au4 Au3 113.225(15) 3_675 2_765
Au2 Au4 Au3 60.346(19) 3_675 2_765
C11 Au4 Au2 126.2(4) . .
C12 Au4 Au2 121.3(4) . .
Au1 Au4 Au2 56.767(14) . .
Au4 Au4 Au2 56.09(2) 2_765 .
Au4 Au4 Au2 104.807(18) 3_675 .
Au2 Au4 Au2 107.32(3) 3_675 .
Au3 Au4 Au2 58.832(18) 2_765 .
C11 Au4 Au6 36.4(4) . 3_675
C12 Au4 Au6 68.8(4) . 3_675
Au1 Au4 Au6 112.11(2) . 3_675
Au4 Au4 Au6 168.825(16) 2_765 3_675
Au4 Au4 Au6 122.15(3) 3_675 3_675
Au2 Au4 Au6 60.957(18) 3_675 3_675
Au3 Au4 Au6 61.692(18) 2_765 3_675
Au2 Au4 Au6 114.42(2) . 3_675
C31 Au5 C32 32.5(6) . .
C31 Au5 Au1 149.0(4) . .
C32 Au5 Au1 172.7(5) . .
C31 Au5 Au5 151.0(4) . 3_675
C32 Au5 Au5 118.7(5) . 3_675
Au1 Au5 Au5 58.933(14) . 3_675
C31 Au5 Au5 131.6(4) . 2_765
C32 Au5 Au5 126.9(5) . 2_765
Au1 Au5 Au5 58.933(14) . 2_765
Au5 Au5 Au5 60.000(1) 3_675 2_765
C31 Au5 Au2 90.8(4) . .
C32 Au5 Au2 116.2(5) . .
Au1 Au5 Au2 60.92(2) . .
Au5 Au5 Au2 109.620(18) 3_675 .
Au5 Au5 Au2 112.139(16) 2_765 .
C31 Au5 Au3 95.3(4) . 3_675
C32 Au5 Au3 124.7(4) . 3_675
Au1 Au5 Au3 60.698(16) . 3_675
Au5 Au5 Au3 112.511(19) 3_675 3_675
Au5 Au5 Au3 65.01(2) 2_765 3_675
Au2 Au5 Au3 60.197(19) . 3_675
C31 Au5 Au3 120.8(4) . 2_765
C32 Au5 Au3 114.2(5) . 2_765
Au1 Au5 Au3 58.451(15) . 2_765
Au5 Au5 Au3 58.85(2) 3_675 2_765
Au5 Au5 Au3 107.593(19) 2_765 2_765
Au2 Au5 Au3 60.532(19) . 2_765
Au3 Au5 Au3 109.00(3) 3_675 2_765
C31 Au5 Au7 37.0(4) . .
C32 Au5 Au7 69.4(5) . .
Au1 Au5 Au7 112.37(2) . .
Au5 Au5 Au7 170.610(15) 3_675 .
Au5 Au5 Au7 120.00(3) 2_765 .
Au2 Au5 Au7 61.215(18) . .
Au3 Au5 Au7 62.042(18) 3_675 .
Au3 Au5 Au7 114.47(2) 2_765 .
C11 Au6 C21 175.9(6) 2_765 .
C11 Au6 C22 150.9(6) 2_765 .
C21 Au6 C22 33.1(6) . .
C11 Au6 Au2 89.7(5) 2_765 .
C21 Au6 Au2 87.2(5) . .
C22 Au6 Au2 117.0(4) . .
C11 Au6 Au3 90.6(4) 2_765 3_675
C21 Au6 Au3 85.3(4) . 3_675
C22 Au6 Au3 113.8(4) . 3_675
Au2 Au6 Au3 54.702(16) . 3_675
C11 Au6 Au4 42.4(5) 2_765 2_765
C21 Au6 Au4 133.5(5) . 2_765
C22 Au6 Au4 166.4(4) . 2_765
Au2 Au6 Au4 53.008(16) . 2_765
Au3 Au6 Au4 53.633(16) 3_675 2_765
C31 Au7 C21 177.3(6) . .
C31 Au7 Au2 88.9(5) . .
C21 Au7 Au2 91.6(4) . .
C31 Au7 Au3 93.1(4) . 3_675
C21 Au7 Au3 89.4(4) . 3_675
Au2 Au7 Au3 55.149(16) . 3_675
C31 Au7 Au5 42.4(4) . .
C21 Au7 Au5 139.3(4) . .
Au2 Au7 Au5 54.108(17) . .
Au3 Au7 Au5 54.519(16) 3_675 .
C12 C11 Au6 175.6(13) . 3_675
C12 C11 Au4 78.6(11) . .
Au6 C11 Au4 101.1(6) 3_675 .
C11 C12 C13 162.1(16) . .
C11 C12 Au4 69.0(10) . .
C13 C12 Au4 128.8(11) . .
C14 C13 C18 120.0 . .
C14 C13 C12 117.4(9) . .
C18 C13 C12 122.6(9) . .
C13 C14 C15 120.0 . .
C16 C15 C14 120.0 . .
C15 C16 C17 120.0 . .
C18 C17 C16 120.0 . .
C17 C18 C13 120.0 . .
C22 C21 Au7 176.7(13) . .
C22 C21 Au6 74.9(10) . .
Au7 C21 Au6 108.1(7) . .
C21 C22 C23 164.7(16) . .
C21 C22 Au6 72.0(10) . .
C23 C22 Au6 123.3(11) . .
C24 C23 C28 120.0 . .
C24 C23 C22 120.0(10) . .
C28 C23 C22 120.0(10) . .
C25 C24 C23 120.0 . .
C24 C25 C26 120.0 . .
C27 C26 C25 120.0 . .
C28 C27 C26 120.0 . .
C27 C28 C23 120.0 . .
C32 C31 Au7 177.1(15) . .
C32 C31 Au5 77.2(11) . .
Au7 C31 Au5 100.6(6) . .
C31 C32 C33 164.7(16) . .
C31 C32 Au5 70.3(10) . .
C33 C32 Au5 124.8(10) . .
C34 C33 C38 120.0 . .
C34 C33 C32 116.3(7) . .
C38 C33 C32 123.3(7) . .
C35 C34 C33 120.0 . .
C34 C35 C36 120.0 . .
C37 C36 C35 120.0 . .
C38 C37 C36 120.0 . .
C37 C38 C33 120.0 . .
C112 C111 C116 120.0 . .
C112 C111 P1 122.6(3) . .
C116 C111 P1 117.5(3) . .
C111 C112 C113 120.0 . .
C114 C113 C112 120.0 . .
C113 C114 C115 120.0 . .
C114 C115 C116 120.0 . .
C115 C116 C111 120.0 . .
C126 C121 C122 118.5(17) . .
C126 C121 P1 120.2(14) . .
C122 C121 P1 121.2(14) . .
C123 C122 C121 118.7(19) . .
C124 C123 C122 122(2) . .
C123 C124 C125 118.5(19) . .
C126 C125 C124 121.4(19) . .
C125 C126 C121 121.0(19) . .
C212 C211 C216 120.0 . .
C212 C211 P2 122.2(3) . .
C216 C211 P2 117.8(3) . .
C213 C212 C211 120.0 . .
C212 C213 C214 120.0 . .
C215 C214 C213 120.0 . .
C214 C215 C216 120.0 . .
C215 C216 C211 120.0 . .
C222 C221 C226 120.0 . .
C222 C221 P2 119.7(3) . .
C226 C221 P2 120.0(3) . .
C221 C222 C223 120.0 . .
C222 C223 C224 120.0 . .
C225 C224 C223 120.0 . .
C226 C225 C224 120.0 . .
C225 C226 C221 120.0 . .
P2 N1 P1 126.4(9) . .
N1 P1 C111 100.5(6) . .
N1 P1 C121 107.2(8) . .
C111 P1 C121 102.1(6) . .
N1 P1 Au3 115.1(5) . .
C111 P1 Au3 115.5(3) . .
C121 P1 Au3 114.7(6) . .
N1 P2 C221 102.2(6) . .
N1 P2 C211 107.3(6) . .
C221 P2 C211 104.8(3) . .
N1 P2 Au2 114.8(5) . 3_675
C221 P2 Au2 114.8(3) . 3_675
C211 P2 Au2 112.0(3) . 3_675
F12 Sb1 F12 86.6(15) 2_665 3_565
F12 Sb1 F12 86.6(15) 2_665 .
F12 Sb1 F12 86.6(15) 3_565 .
F12 Sb1 F11 81.1(19) 2_665 .
F12 Sb1 F11 77.7(18) 3_565 .
F12 Sb1 F11 160.6(17) . .
F12 Sb1 F11 77.7(18) 2_665 3_565
F12 Sb1 F11 160.6(17) 3_565 3_565
F12 Sb1 F11 81.1(19) . 3_565
F11 Sb1 F11 110.6(13) . 3_565
F12 Sb1 F11 160.6(17) 2_665 2_665
F12 Sb1 F11 81.1(19) 3_565 2_665
F12 Sb1 F11 77.7(18) . 2_665
F11 Sb1 F11 110.6(13) . 2_665
F11 Sb1 F11 110.6(13) 3_565 2_665
Cl1 C1S Cl2 118(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 Au4 2.7266(9) 2_765
Au1 Au4 2.7266(9) 3_675
Au1 Au4 2.7266(9) .
Au1 Au5 2.7315(10) .
Au1 Au5 2.7315(10) 2_765
Au1 Au5 2.7315(10) 3_675
Au1 Au2 2.8370(5) 3_675
Au1 Au2 2.8370(5) .
Au1 Au2 2.8370(5) 2_765
Au1 Au3 2.8522(5) 3_675
Au1 Au3 2.8522(5) 2_765
Au1 Au3 2.8522(5) .
Au2 P2 2.307(4) 2_765
Au2 Au4 2.8491(7) 2_765
Au2 Au5 2.8605(8) .
Au2 Au3 2.8919(7) 3_675
Au2 Au3 2.9986(8) 2_765
Au2 Au7 3.0946(8) .
Au2 Au6 3.1186(8) .
Au2 Au4 3.1816(8) .
Au3 P1 2.314(4) .
Au3 Au2 2.8919(7) 2_765
Au3 Au4 2.9039(8) 3_675
Au3 Au5 2.9057(8) 2_765
Au3 Au2 2.9986(8) 3_675
Au3 Au5 3.0774(8) 3_675
Au3 Au7 3.1518(8) 2_765
Au3 Au6 3.1749(8) 2_765
Au4 C11 2.242(16) .
Au4 C12 2.354(16) .
Au4 Au4 2.8449(9) 2_765
Au4 Au4 2.8449(9) 3_675
Au4 Au2 2.8491(7) 3_675
Au4 Au3 2.9039(8) 2_765
Au4 Au6 3.2596(8) 3_675
Au5 C31 2.190(15) .
Au5 C32 2.269(17) .
Au5 Au5 2.8192(9) 3_675
Au5 Au5 2.8192(9) 2_765
Au5 Au3 2.9056(8) 3_675
Au5 Au3 3.0774(8) 2_765
Au5 Au7 3.1916(8) .
Au6 C11 1.973(15) 2_765
Au6 C21 2.202(15) .
Au6 C22 2.236(16) .
Au6 Au3 3.1749(8) 3_675
Au6 Au4 3.2596(8) 2_765
Au7 C31 1.954(15) .
Au7 C21 1.999(18) .
Au7 Au3 3.1518(8) 3_675
C11 C12 1.29(2) .
C11 Au6 1.973(15) 3_675
C12 C13 1.414(19) .
C13 C14 1.3900 .
C13 C18 1.3900 .
C14 C15 1.3900 .
C15 C16 1.3900 .
C16 C17 1.3900 .
C17 C18 1.3900 .
C21 C22 1.26(2) .
C22 C23 1.425(18) .
C23 C24 1.3900 .
C23 C28 1.3900 .
C24 C25 1.3900 .
C25 C26 1.3900 .
C26 C27 1.3900 .
C27 C28 1.3900 .
C31 C32 1.25(2) .
C32 C33 1.475(19) .
C33 C34 1.3900 .
C33 C38 1.3900 .
C34 C35 1.3900 .
C35 C36 1.3900 .
C36 C37 1.3900 .
C37 C38 1.3900 .
C111 C112 1.3901 .
C111 C116 1.3904 .
C111 P1 1.807(7) .
C112 C113 1.3902 .
C113 C114 1.3897 .
C114 C115 1.3902 .
C115 C116 1.3902 .
C121 C126 1.39(3) .
C121 C122 1.40(3) .
C121 P1 1.810(18) .
C122 C123 1.38(3) .
C123 C124 1.35(3) .
C124 C125 1.41(3) .
C125 C126 1.31(3) .
C211 C212 1.3900 .
C211 C216 1.3900 .
C211 P2 1.842(8) .
C212 C213 1.3900 .
C213 C214 1.3900 .
C214 C215 1.3900 .
C215 C216 1.3900 .
C221 C222 1.3892 .
C221 C226 1.3904 .
C221 P2 1.818(7) .
C222 C223 1.3901 .
C223 C224 1.3903 .
C224 C225 1.3901 .
C225 C226 1.3901 .
N1 P2 1.669(15) .
N1 P1 1.698(15) .
P2 Au2 2.307(4) 3_675
Sb1 F12 1.836(9) 2_665
Sb1 F12 1.836(9) 3_565
Sb1 F12 1.836(9) .
Sb1 F11 1.838(9) .
Sb1 F11 1.838(9) 3_565
Sb1 F11 1.838(9) 2_665
Cl1 C1S 1.65(3) .
Cl2 C1S 1.67(3) .
