#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:49:28 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179130 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/92/4309211.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_4309211
loop_
_publ_author_name
'Rochelle L. White-Morris'
'Marilyn M. Olmstead'
'Saeed Attar'
'Alan L. Balch'
_publ_section_title
;
Intermolecular Interactions in Polymorphs of Trinuclear Gold(I)
Complexes: Insight into the Solvoluminescence of AuI3(MeNCOMe)3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5021
_journal_page_last               5029
_journal_paper_doi               10.1021/ic050381n
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C21 H42 Au3 N3 O3'
_chemical_formula_weight         975.48
_chemical_name_common            Au3[CH3(CH2)4N=COCH3]3
_chemical_name_systematic
; 
 ? 
;
_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                109.237(6)
_cell_angle_beta                 90.151(4)
_cell_angle_gamma                104.539(5)
_cell_formula_units_Z            8
_cell_length_a                   14.9537(12)
_cell_length_b                   18.6091(15)
_cell_length_c                   21.0647(17)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      31.3
_cell_measurement_theta_min      2.3
_cell_volume                     5333.8(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXTL 5, XP (Sheldrick, 1994)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.069
_diffrn_reflns_av_sigmaI/netI    0.1181
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            30407
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         1.03
_exptl_absorpt_coefficient_mu    16.487
_exptl_absorpt_correction_T_max  0.3849
_exptl_absorpt_correction_T_min  0.02400
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.03 (Sheldrick, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.429
_exptl_crystal_description       plate
_exptl_crystal_F_000             3600
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.07
_refine_diff_density_max         7.260
_refine_diff_density_min         -6.695
_refine_diff_density_rms         0.525
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1105
_refine_ls_number_reflns         30404
_refine_ls_number_restraints     180
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0822
_refine_ls_R_factor_gt           0.0602
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0836P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1580
_refine_ls_wR_factor_ref         0.1780
_reflns_number_gt                23007
_reflns_number_total             30404
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic050381nsi20050314_051935_4.cif
_cod_data_source_block           rw51n
_cod_original_cell_volume        5333.8(7)
_cod_database_code               4309211
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.61481(2) 0.74754(2) 1.183550(18) 0.01289(8) Uani 1 1 d . . .
Au2 Au 0.59569(2) 0.92924(2) 1.234343(18) 0.01284(8) Uani 1 1 d . . .
Au3 Au 0.60066(2) 0.83239(2) 1.070934(18) 0.01346(8) Uani 1 1 d . . .
N1 N 0.6150(5) 0.8057(5) 1.2858(4) 0.0133(16) Uani 1 1 d . . .
N2 N 0.5930(5) 0.9843(5) 1.1645(4) 0.0156(17) Uani 1 1 d . . .
N3 N 0.6061(6) 0.7168(5) 1.0397(4) 0.0141(16) Uani 1 1 d . . .
O1 O 0.6146(5) 0.6094(4) 1.0627(4) 0.0200(15) Uani 1 1 d . . .
O2 O 0.6131(5) 0.9157(4) 1.3709(3) 0.0168(14) Uani 1 1 d . . .
O3 O 0.5961(5) 0.9867(4) 1.0579(4) 0.0206(15) Uani 1 1 d U . .
C1 C 0.6115(7) 0.6856(6) 1.0864(5) 0.0158(19) Uani 1 1 d U . .
C2 C 0.6098(7) 0.8800(6) 1.3021(5) 0.0166(19) Uani 1 1 d U . .
C3 C 0.5966(7) 0.9452(6) 1.1006(5) 0.017(2) Uani 1 1 d U . .
C4 C 0.6177(8) 0.5707(7) 1.1131(5) 0.024(2) Uani 1 1 d . . .
H4A H 0.6664 0.6030 1.1481 0.036 Uiso 1 1 calc R . .
H4B H 0.6294 0.5202 1.0917 0.036 Uiso 1 1 calc R . .
H4C H 0.5594 0.5636 1.1323 0.036 Uiso 1 1 calc R . .
C5 C 0.6168(7) 0.9979(6) 1.3950(5) 0.021(2) Uani 1 1 d . . .
H5A H 0.6758 1.0277 1.3876 0.032 Uiso 1 1 calc R . .
H5B H 0.6090 1.0144 1.4424 0.032 Uiso 1 1 calc R . .
H5C H 0.5681 1.0066 1.3711 0.032 Uiso 1 1 calc R . .
C6 C 0.5986(9) 0.9479(7) 0.9879(6) 0.027(2) Uani 1 1 d . . .
H6A H 0.6522 0.9276 0.9809 0.040 Uiso 1 1 calc R . .
H6B H 0.6017 0.9846 0.9644 0.040 Uiso 1 1 calc R . .
H6C H 0.5435 0.9050 0.9710 0.040 Uiso 1 1 calc R . .
C7 C 0.6235(7) 0.7696(6) 1.3367(5) 0.0167(19) Uani 1 1 d . . .
H7A H 0.5686 0.7671 1.3612 0.020 Uiso 1 1 calc R . .
H7B H 0.6768 0.8017 1.3687 0.020 Uiso 1 1 calc R . .
C8 C 0.6345(7) 0.6877(6) 1.3038(5) 0.0136(18) Uani 1 1 d U . .
H8A H 0.6899 0.6904 1.2799 0.016 Uiso 1 1 calc R . .
H8B H 0.5817 0.6561 1.2710 0.016 Uiso 1 1 calc R . .
C9 C 0.6416(7) 0.6481(6) 1.3556(5) 0.0147(18) Uani 1 1 d . . .
H9A H 0.5878 0.6478 1.3812 0.018 Uiso 1 1 calc R . .
H9B H 0.6964 0.6779 1.3869 0.018 Uiso 1 1 calc R . .
C10 C 0.6475(7) 0.5626(6) 1.3207(6) 0.020(2) Uani 1 1 d . . .
H10A H 0.5929 0.5329 1.2892 0.023 Uiso 1 1 calc R . .
H10B H 0.7015 0.5629 1.2953 0.023 Uiso 1 1 calc R . .
C11 C 0.6540(8) 0.5226(7) 1.3725(6) 0.024(2) Uani 1 1 d U . .
H11A H 0.7142 0.5447 1.3974 0.036 Uiso 1 1 calc R . .
H11B H 0.6449 0.4670 1.3498 0.036 Uiso 1 1 calc R . .
H11C H 0.6072 0.5309 1.4031 0.036 Uiso 1 1 calc R . .
C12 C 0.5914(7) 1.0693(6) 1.1841(5) 0.018(2) Uani 1 1 d . . .
H12A H 0.5339 1.0726 1.1653 0.022 Uiso 1 1 calc R . .
H12B H 0.6425 1.0981 1.1663 0.022 Uiso 1 1 calc R . .
C13 C 0.5995(7) 1.1061(6) 1.2612(5) 0.0167(19) Uani 1 1 d . . .
H13A H 0.6564 1.1013 1.2795 0.020 Uiso 1 1 calc R . .
H13B H 0.5481 1.0769 1.2784 0.020 Uiso 1 1 calc R . .
C14 C 0.5997(7) 1.1934(5) 1.2859(5) 0.0169(19) Uani 1 1 d . . .
H14A H 0.6499 1.2227 1.2677 0.020 Uiso 1 1 calc R . .
H14B H 0.5418 1.1984 1.2694 0.020 Uiso 1 1 calc R . .
C15 C 0.6115(7) 1.2281(6) 1.3622(5) 0.0167(19) Uani 1 1 d . . .
H15A H 0.6681 1.2207 1.3785 0.020 Uiso 1 1 calc R . .
H15B H 0.5600 1.1997 1.3800 0.020 Uiso 1 1 calc R . .
C16 C 0.6160(8) 1.3160(6) 1.3890(6) 0.025(2) Uani 1 1 d . . .
H16A H 0.6681 1.3447 1.3728 0.037 Uiso 1 1 calc R . .
H16B H 0.6228 1.3347 1.4374 0.037 Uiso 1 1 calc R . .
H16C H 0.5599 1.3238 1.3735 0.037 Uiso 1 1 calc R . .
C17 C 0.6043(7) 0.6670(6) 0.9674(5) 0.018(2) Uani 1 1 d . . .
H17A H 0.5479 0.6240 0.9545 0.021 Uiso 1 1 calc R . .
H17B H 0.6567 0.6443 0.9617 0.021 Uiso 1 1 calc R . .
C18 C 0.6086(7) 0.7168(6) 0.9218(5) 0.020(2) Uani 1 1 d . . .
H18A H 0.5574 0.7409 0.9294 0.024 Uiso 1 1 calc R . .
H18B H 0.6657 0.7589 0.9347 0.024 Uiso 1 1 calc R . .
C19 C 0.6044(7) 0.6704(6) 0.8470(5) 0.019(2) Uani 1 1 d . . .
H19A H 0.5479 0.6276 0.8340 0.023 Uiso 1 1 calc R . .
H19B H 0.6565 0.6474 0.8390 0.023 Uiso 1 1 calc R . .
C20 C 0.6066(7) 0.7216(6) 0.8027(5) 0.021(2) Uani 1 1 d . . .
H20A H 0.5557 0.7460 0.8119 0.026 Uiso 1 1 calc R . .
H20B H 0.6640 0.7635 0.8149 0.026 Uiso 1 1 calc R . .
C21 C 0.5996(8) 0.6762(7) 0.7284(5) 0.027(2) Uani 1 1 d . . .
H21A H 0.6526 0.6556 0.7182 0.040 Uiso 1 1 calc R . .
H21B H 0.5974 0.7106 0.7034 0.040 Uiso 1 1 calc R . .
H21C H 0.5441 0.6333 0.7162 0.040 Uiso 1 1 calc R . .
Au4 Au 0.37536(2) 0.76735(2) 1.304374(18) 0.01304(8) Uani 1 1 d . . .
Au5 Au 0.37227(2) 0.91907(2) 1.257685(18) 0.01323(8) Uani 1 1 d . . .
Au6 Au 0.37937(2) 0.74972(2) 1.142965(18) 0.01305(8) Uani 1 1 d . . .
N4 N 0.3805(6) 0.6632(5) 1.2341(4) 0.0194(18) Uani 1 1 d U . .
N5 N 0.3741(6) 0.9322(5) 1.3584(4) 0.0191(18) Uani 1 1 d U . .
N6 N 0.3670(5) 0.8419(5) 1.1132(4) 0.0136(16) Uani 1 1 d . . .
O4 O 0.3796(6) 0.8828(5) 1.4421(4) 0.0230(16) Uani 1 1 d . . .
O5 O 0.3563(5) 0.9659(4) 1.1371(4) 0.0174(14) Uani 1 1 d U . .
O6 O 0.3833(5) 0.5848(4) 1.1274(4) 0.0193(15) Uani 1 1 d U . .
C22 C 0.3756(6) 0.8681(6) 1.3752(5) 0.0151(19) Uani 1 1 d U . .
C23 C 0.3643(7) 0.9069(6) 1.1594(5) 0.0162(19) Uani 1 1 d U . .
C24 C 0.3808(6) 0.6559(5) 1.1712(5) 0.0120(17) Uani 1 1 d U . .
C25 C 0.3846(8) 0.8176(7) 1.4618(5) 0.023(2) Uani 1 1 d U . .
H25A H 0.3281 0.7763 1.4455 0.035 Uiso 1 1 calc R . .
H25B H 0.3931 0.8341 1.5101 0.035 Uiso 1 1 calc R . .
H25C H 0.4359 0.7984 1.4429 0.035 Uiso 1 1 calc R . .
C26 C 0.3413(8) 1.0358(6) 1.1860(5) 0.022(2) Uani 1 1 d . . .
H26A H 0.2814 1.0231 1.2022 0.033 Uiso 1 1 calc R . .
H26B H 0.3440 1.0751 1.1653 0.033 Uiso 1 1 calc R . .
H26C H 0.3885 1.0559 1.2231 0.033 Uiso 1 1 calc R . .
C27 C 0.3754(7) 0.5719(6) 1.0574(5) 0.021(2) Uani 1 1 d . . .
H27A H 0.3150 0.5741 1.0441 0.031 Uiso 1 1 calc R . .
H27B H 0.3838 0.5208 1.0329 0.031 Uiso 1 1 calc R . .
H27C H 0.4219 0.6119 1.0477 0.031 Uiso 1 1 calc R . .
C28 C 0.3801(7) 0.5912(6) 1.2526(5) 0.0165(19) Uani 1 1 d U . .
H28A H 0.3264 0.5485 1.2291 0.020 Uiso 1 1 calc R . .
H28B H 0.4353 0.5742 1.2385 0.020 Uiso 1 1 calc R . .
C29 C 0.3776(7) 0.6089(6) 1.3269(5) 0.0156(19) Uani 1 1 d . . .
H29A H 0.3212 0.6242 1.3406 0.019 Uiso 1 1 calc R . .
H29B H 0.4299 0.6532 1.3503 0.019 Uiso 1 1 calc R . .
C30 C 0.3810(7) 0.5384(6) 1.3477(5) 0.018(2) Uani 1 1 d . . .
H30A H 0.4366 0.5223 1.3330 0.021 Uiso 1 1 calc R . .
H30B H 0.3279 0.4945 1.3252 0.021 Uiso 1 1 calc R . .
C31 C 0.3809(7) 0.5574(7) 1.4240(5) 0.022(2) Uani 1 1 d . . .
H31A H 0.4357 0.5998 1.4459 0.026 Uiso 1 1 calc R . .
H31B H 0.3272 0.5765 1.4386 0.026 Uiso 1 1 calc R . .
C32 C 0.3794(8) 0.4897(7) 1.4472(6) 0.026(2) Uani 1 1 d . . .
H32A H 0.3219 0.4498 1.4303 0.040 Uiso 1 1 calc R . .
H32B H 0.3852 0.5076 1.4957 0.040 Uiso 1 1 calc R . .
H32C H 0.4302 0.4680 1.4307 0.040 Uiso 1 1 calc R . .
C33 C 0.3710(7) 1.0059(6) 1.4140(5) 0.0146(18) Uani 1 1 d . . .
H33A H 0.4265 1.0245 1.4451 0.018 Uiso 1 1 calc R . .
H33B H 0.3176 0.9951 1.4388 0.018 Uiso 1 1 calc R . .
C34 C 0.3645(8) 1.0689(6) 1.3842(6) 0.022(2) Uani 1 1 d . . .
H34A H 0.4163 1.0764 1.3573 0.026 Uiso 1 1 calc R . .
H34B H 0.3080 1.0496 1.3541 0.026 Uiso 1 1 calc R . .
C35 C 0.3649(7) 1.1481(6) 1.4357(5) 0.0158(19) Uani 1 1 d . . .
H35A H 0.3138 1.1411 1.4633 0.019 Uiso 1 1 calc R . .
H35B H 0.4221 1.1686 1.4652 0.019 Uiso 1 1 calc R . .
C36 C 0.3562(7) 1.2073(6) 1.4029(5) 0.021(2) Uani 1 1 d . . .
H36A H 0.2979 1.1869 1.3745 0.025 Uiso 1 1 calc R . .
H36B H 0.4058 1.2120 1.3737 0.025 Uiso 1 1 calc R . .
C37 C 0.3596(8) 1.2889(7) 1.4516(6) 0.027(2) Uani 1 1 d . . .
H37A H 0.3027 1.2874 1.4727 0.041 Uiso 1 1 calc R . .
H37B H 0.3677 1.3254 1.4275 0.041 Uiso 1 1 calc R . .
H37C H 0.4106 1.3055 1.4855 0.041 Uiso 1 1 calc R . .
C38 C 0.3573(6) 0.8355(5) 1.0418(5) 0.0139(18) Uani 1 1 d . . .
H38A H 0.4094 0.8730 1.0331 0.017 Uiso 1 1 calc R . .
H38B H 0.3010 0.8489 1.0329 0.017 Uiso 1 1 calc R . .
C39 C 0.3535(7) 0.7521(6) 0.9941(5) 0.0163(19) Uani 1 1 d U . .
H39A H 0.4094 0.7388 1.0044 0.020 Uiso 1 1 calc R . .
H39B H 0.3012 0.7151 1.0033 0.020 Uiso 1 1 calc R . .
C40 C 0.3451(7) 0.7406(6) 0.9201(5) 0.017(2) Uani 1 1 d . . .
H40A H 0.3973 0.7771 0.9103 0.021 Uiso 1 1 calc R . .
H40B H 0.2888 0.7527 0.9091 0.021 Uiso 1 1 calc R . .
C41 C 0.3424(7) 0.6564(6) 0.8760(5) 0.019(2) Uani 1 1 d . . .
H41A H 0.3996 0.6456 0.8868 0.023 Uiso 1 1 calc R . .
H41B H 0.2919 0.6205 0.8881 0.023 Uiso 1 1 calc R . .
C42 C 0.3303(8) 0.6383(6) 0.8008(6) 0.024(2) Uani 1 1 d . . .
H42A H 0.2746 0.6499 0.7894 0.036 Uiso 1 1 calc R . .
H42B H 0.3259 0.5834 0.7779 0.036 Uiso 1 1 calc R . .
H42C H 0.3826 0.6700 0.7873 0.036 Uiso 1 1 calc R . .
Au7 Au -0.11624(2) 0.65555(2) 0.248257(18) 0.01318(8) Uani 1 1 d . . .
Au8 Au -0.12663(2) 0.82493(2) 0.363631(18) 0.01366(8) Uani 1 1 d . . .
Au9 Au -0.14503(2) 0.80107(2) 0.200666(18) 0.01399(8) Uani 1 1 d . . .
N7 N -0.1266(6) 0.6405(5) 0.1473(4) 0.0150(16) Uani 1 1 d U . .
N8 N -0.1091(5) 0.7341(5) 0.3931(4) 0.0130(16) Uani 1 1 d . . .
N9 N -0.1449(5) 0.9076(5) 0.2722(4) 0.0138(16) Uani 1 1 d . . .
O7 O -0.1030(5) 0.6089(4) 0.3691(4) 0.0187(15) Uani 1 1 d . . .
O8 O -0.1515(5) 0.9836(4) 0.3784(4) 0.0205(16) Uani 1 1 d . . .
O9 O -0.1450(5) 0.6865(4) 0.0639(4) 0.0205(16) Uani 1 1 d . . .
C43 C -0.1064(6) 0.6672(6) 0.3464(5) 0.0148(19) Uani 1 1 d U . .
C44 C -0.1431(6) 0.9130(6) 0.3346(5) 0.0163(19) Uani 1 1 d . . .
C45 C -0.1396(6) 0.7002(6) 0.1305(5) 0.0156(19) Uani 1 1 d . . .
C46 C -0.0971(8) 0.5364(6) 0.3198(5) 0.021(2) Uani 1 1 d . . .
H46A H -0.1569 0.5085 0.2954 0.032 Uiso 1 1 calc R . .
H46B H -0.0776 0.5046 0.3419 0.032 Uiso 1 1 calc R . .
H46C H -0.0530 0.5475 0.2890 0.032 Uiso 1 1 calc R . .
C47 C -0.1544(8) 0.9923(7) 0.4472(5) 0.027(2) Uani 1 1 d U . .
H47A H -0.2075 0.9541 0.4527 0.040 Uiso 1 1 calc R . .
H47B H -0.1588 1.0446 0.4723 0.040 Uiso 1 1 calc R . .
H47C H -0.0990 0.9843 0.4634 0.040 Uiso 1 1 calc R . .
C48 C -0.1520(7) 0.7506(6) 0.0432(5) 0.020(2) Uani 1 1 d . . .
H48A H -0.2065 0.7666 0.0590 0.030 Uiso 1 1 calc R . .
H48B H -0.1561 0.7343 -0.0052 0.030 Uiso 1 1 calc R . .
H48C H -0.0980 0.7942 0.0617 0.030 Uiso 1 1 calc R . .
C49 C -0.1229(6) 0.5681(5) 0.0914(5) 0.0151(19) Uani 1 1 d U . .
H49A H -0.0725 0.5804 0.0646 0.018 Uiso 1 1 calc R . .
H49B H -0.1805 0.5469 0.0623 0.018 Uiso 1 1 calc R . .
C50 C -0.1073(7) 0.5058(6) 0.1224(5) 0.020(2) Uani 1 1 d U . .
H50A H -0.0523 0.5293 0.1543 0.024 Uiso 1 1 calc R . .
H50B H -0.1598 0.4917 0.1469 0.024 Uiso 1 1 calc R . .
C51 C -0.0958(7) 0.4320(6) 0.0690(5) 0.019(2) Uani 1 1 d . . .
H51A H -0.0423 0.4456 0.0450 0.023 Uiso 1 1 calc R . .
H51B H -0.1502 0.4087 0.0366 0.023 Uiso 1 1 calc R . .
C52 C -0.0827(7) 0.3728(6) 0.1008(5) 0.018(2) Uani 1 1 d . . .
H52A H -0.1368 0.3592 0.1242 0.022 Uiso 1 1 calc R . .
H52B H -0.0293 0.3973 0.1341 0.022 Uiso 1 1 calc R . .
C53 C -0.0686(8) 0.2970(6) 0.0496(6) 0.025(2) Uani 1 1 d . . .
H53A H -0.1250 0.2680 0.0209 0.038 Uiso 1 1 calc R . .
H53B H -0.0521 0.2653 0.0731 0.038 Uiso 1 1 calc R . .
H53C H -0.0197 0.3104 0.0226 0.038 Uiso 1 1 calc R . .
C54 C -0.1027(7) 0.7395(6) 0.4647(5) 0.018(2) Uani 1 1 d U . .
H54A H -0.0485 0.7238 0.4742 0.022 Uiso 1 1 calc R . .
H54B H -0.1570 0.7031 0.4725 0.022 Uiso 1 1 calc R . .
C55 C -0.0962(7) 0.8220(6) 0.5123(5) 0.019(2) Uani 1 1 d U . .
H55A H -0.0402 0.8574 0.5056 0.023 Uiso 1 1 calc R . .
H55B H -0.1485 0.8385 0.5003 0.023 Uiso 1 1 calc R . .
C56 C -0.0950(7) 0.8312(6) 0.5862(5) 0.019(2) Uani 1 1 d . . .
H56A H -0.0407 0.8179 0.5992 0.023 Uiso 1 1 calc R . .
H56B H -0.1494 0.7942 0.5929 0.023 Uiso 1 1 calc R . .
C57 C -0.0936(8) 0.9138(6) 0.6317(5) 0.023(2) Uani 1 1 d . . .
H57A H -0.1452 0.9287 0.6164 0.028 Uiso 1 1 calc R . .
H57B H -0.0368 0.9503 0.6276 0.028 Uiso 1 1 calc R . .
C58 C -0.0998(8) 0.9218(7) 0.7055(6) 0.030(3) Uani 1 1 d . . .
H58A H -0.1621 0.8974 0.7120 0.045 Uiso 1 1 calc R . .
H58B H -0.0833 0.9767 0.7328 0.045 Uiso 1 1 calc R . .
H58C H -0.0580 0.8963 0.7184 0.045 Uiso 1 1 calc R . .
C59 C -0.1548(7) 0.9761(6) 0.2538(5) 0.018(2) Uani 1 1 d . . .
H59A H -0.1060 1.0227 0.2789 0.022 Uiso 1 1 calc R . .
H59B H -0.2140 0.9864 0.2660 0.022 Uiso 1 1 calc R . .
C60 C -0.1489(7) 0.9596(6) 0.1780(5) 0.018(2) Uani 1 1 d . . .
H60A H -0.0913 0.9462 0.1654 0.022 Uiso 1 1 calc R . .
H60B H -0.1997 0.9147 0.1531 0.022 Uiso 1 1 calc R . .
C61 C -0.1535(7) 1.0311(6) 0.1589(5) 0.018(2) Uani 1 1 d . . .
H61A H -0.1011 1.0754 0.1821 0.021 Uiso 1 1 calc R . .
H61B H -0.2099 1.0459 0.1731 0.021 Uiso 1 1 calc R . .
C62 C -0.1521(8) 1.0124(6) 0.0824(6) 0.024(2) Uani 1 1 d . . .
H62A H -0.0945 0.9996 0.0688 0.028 Uiso 1 1 calc R . .
H62B H -0.2027 0.9663 0.0594 0.028 Uiso 1 1 calc R . .
C63 C -0.1609(10) 1.0805(8) 0.0601(7) 0.040(3) Uani 1 1 d . . .
H63A H -0.2221 1.0875 0.0663 0.060 Uiso 1 1 calc R . .
H63B H -0.1503 1.0689 0.0133 0.060 Uiso 1 1 calc R . .
H63C H -0.1159 1.1280 0.0868 0.060 Uiso 1 1 calc R . .
Au10 Au 0.13239(2) 0.68200(2) 0.312934(18) 0.01362(8) Uani 1 1 d . . .
Au11 Au 0.13539(2) 0.49540(2) 0.259020(18) 0.01329(8) Uani 1 1 d . . .
Au12 Au 0.13049(2) 0.59096(2) 0.423585(18) 0.01463(8) Uani 1 1 d . . .
N10 N 0.1336(6) 0.6232(5) 0.2112(4) 0.0162(17) Uani 1 1 d . . .
N11 N 0.1279(5) 0.4372(5) 0.3273(4) 0.0166(17) Uani 1 1 d . . .
N12 N 0.1351(6) 0.7093(5) 0.4569(4) 0.0156(16) Uani 1 1 d U . .
O10 O 0.1351(5) 0.8190(4) 0.4339(4) 0.0182(15) Uani 1 1 d . . .
O11 O 0.1492(5) 0.5194(4) 0.1257(3) 0.0164(14) Uani 1 1 d . . .
O12 O 0.1241(5) 0.4333(4) 0.4324(4) 0.0207(15) Uani 1 1 d . . .
C64 C 0.1330(7) 0.7412(6) 0.4102(5) 0.022(2) Uani 1 1 d . . .
C65 C 0.1423(7) 0.5515(6) 0.1936(5) 0.019(2) Uani 1 1 d U . .
C66 C 0.1255(7) 0.4764(6) 0.3915(5) 0.0166(19) Uani 1 1 d U . .
C67 C 0.1301(7) 0.8577(6) 0.3844(5) 0.022(2) Uani 1 1 d U . .
H67A H 0.1832 0.8567 0.3589 0.033 Uiso 1 1 calc R . .
H67B H 0.1294 0.9115 0.4074 0.033 Uiso 1 1 calc R . .
H67C H 0.0746 0.8304 0.3545 0.033 Uiso 1 1 calc R . .
C68 C 0.1728(7) 0.4452(6) 0.1024(5) 0.022(2) Uani 1 1 d . . .
H68A H 0.2390 0.4546 0.1063 0.032 Uiso 1 1 calc R . .
H68B H 0.1489 0.4174 0.0561 0.032 Uiso 1 1 calc R . .
H68C H 0.1462 0.4140 0.1294 0.032 Uiso 1 1 calc R . .
C69 C 0.1287(8) 0.4735(7) 0.5043(6) 0.024(2) Uani 1 1 d . . .
H69A H 0.1894 0.5088 0.5201 0.036 Uiso 1 1 calc R . .
H69B H 0.1166 0.4354 0.5269 0.036 Uiso 1 1 calc R . .
H69C H 0.0832 0.5030 0.5137 0.036 Uiso 1 1 calc R . .
C70 C 0.1312(7) 0.6627(6) 0.1610(5) 0.0159(19) Uani 1 1 d . . .
H70A H 0.0784 0.6327 0.1279 0.019 Uiso 1 1 calc R . .
H70B H 0.1870 0.6630 0.1376 0.019 Uiso 1 1 calc R . .
C71 C 0.1245(7) 0.7467(6) 0.1929(5) 0.0169(19) Uani 1 1 d . . .
H71A H 0.0703 0.7467 0.2181 0.020 Uiso 1 1 calc R . .
H71B H 0.1788 0.7775 0.2243 0.020 Uiso 1 1 calc R . .
C72 C 0.1175(7) 0.7848(6) 0.1408(5) 0.0150(18) Uani 1 1 d . . .
H72A H 0.0636 0.7536 0.1089 0.018 Uiso 1 1 calc R . .
H72B H 0.1721 0.7856 0.1160 0.018 Uiso 1 1 calc R . .
C73 C 0.1091(7) 0.8694(6) 0.1732(5) 0.019(2) Uani 1 1 d . . .
H73A H 0.1612 0.8999 0.2069 0.023 Uiso 1 1 calc R . .
H73B H 0.0526 0.8684 0.1958 0.023 Uiso 1 1 calc R . .
C74 C 0.1078(8) 0.9096(7) 0.1191(6) 0.029(3) Uani 1 1 d . . .
H74A H 0.1609 0.9061 0.0940 0.043 Uiso 1 1 calc R . .
H74B H 0.1093 0.9640 0.1411 0.043 Uiso 1 1 calc R . .
H74C H 0.0522 0.8832 0.0890 0.043 Uiso 1 1 calc R . .
C75 C 0.1303(7) 0.3536(6) 0.3073(5) 0.020(2) Uani 1 1 d . . .
H75A H 0.0766 0.3237 0.3220 0.024 Uiso 1 1 calc R . .
H75B H 0.1855 0.3504 0.3293 0.024 Uiso 1 1 calc R . .
C76 C 0.1303(7) 0.3179(6) 0.2308(5) 0.021(2) Uani 1 1 d . . .
H76A H 0.1854 0.3470 0.2168 0.025 Uiso 1 1 calc R . .
H76B H 0.0766 0.3239 0.2092 0.025 Uiso 1 1 calc R . .
C77 C 0.1284(7) 0.2299(6) 0.2067(5) 0.018(2) Uani 1 1 d . . .
H77A H 0.1818 0.2234 0.2282 0.022 Uiso 1 1 calc R . .
H77B H 0.0729 0.2003 0.2199 0.022 Uiso 1 1 calc R . .
C78 C 0.1294(8) 0.1975(7) 0.1308(6) 0.024(2) Uani 1 1 d . . .
H78A H 0.0753 0.2033 0.1095 0.029 Uiso 1 1 calc R . .
H78B H 0.1841 0.2281 0.1176 0.029 Uiso 1 1 calc R . .
C79 C 0.1294(10) 0.1114(7) 0.1056(6) 0.033(3) Uani 1 1 d . . .
H79A H 0.1798 0.1046 0.1294 0.050 Uiso 1 1 calc R . .
H79B H 0.1366 0.0949 0.0582 0.050 Uiso 1 1 calc R . .
H79C H 0.0717 0.0801 0.1135 0.050 Uiso 1 1 calc R . .
C80 C 0.1400(7) 0.7573(6) 0.5298(5) 0.019(2) Uani 1 1 d U . .
H80A H 0.0927 0.7857 0.5367 0.023 Uiso 1 1 calc R . .
H80B H 0.2001 0.7957 0.5435 0.023 Uiso 1 1 calc R . .
C81 C 0.1256(8) 0.7039(6) 0.5737(5) 0.023(2) Uani 1 1 d U . .
H81A H 0.0657 0.6654 0.5597 0.028 Uiso 1 1 calc R . .
H81B H 0.1730 0.6755 0.5667 0.028 Uiso 1 1 calc R . .
C82 C 0.1302(7) 0.7518(6) 0.6488(5) 0.017(2) Uani 1 1 d . . .
H82A H 0.1866 0.7947 0.6617 0.021 Uiso 1 1 calc R . .
H82B H 0.0778 0.7744 0.6571 0.021 Uiso 1 1 calc R . .
C83 C 0.1288(7) 0.6999(6) 0.6911(5) 0.018(2) Uani 1 1 d . . .
H83A H 0.1817 0.6779 0.6829 0.022 Uiso 1 1 calc R . .
H83B H 0.0730 0.6564 0.6771 0.022 Uiso 1 1 calc R . .
C84 C 0.1316(8) 0.7454(7) 0.7684(6) 0.026(2) Uani 1 1 d . . .
H84A H 0.1892 0.7856 0.7834 0.040 Uiso 1 1 calc R . .
H84B H 0.1262 0.7092 0.7926 0.040 Uiso 1 1 calc R . .
H84C H 0.0810 0.7695 0.7766 0.040 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'
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
_geom_angle_publ_flag
C1 Au1 N1 176.5(4) . . ?
C1 Au1 Au2 121.8(3) . . ?
N1 Au1 Au2 61.3(2) . . ?
C1 Au1 Au3 61.0(3) . . ?
N1 Au1 Au3 122.2(2) . . ?
Au2 Au1 Au3 60.921(13) . . ?
C2 Au2 N2 175.1(4) . . ?
C2 Au2 Au1 60.9(3) . . ?
N2 Au2 Au1 119.1(2) . . ?
C2 Au2 Au3 120.5(3) . . ?
N2 Au2 Au3 59.6(2) . . ?
Au1 Au2 Au3 59.621(13) . . ?
C2 Au2 Au5 92.9(3) . . ?
N2 Au2 Au5 91.6(2) . . ?
Au1 Au2 Au5 106.911(14) . . ?
Au3 Au2 Au5 105.950(14) . . ?
C3 Au3 N3 179.3(4) . . ?
C3 Au3 Au1 120.1(3) . . ?
N3 Au3 Au1 60.4(2) . . ?
C3 Au3 Au2 60.7(3) . . ?
N3 Au3 Au2 119.8(2) . . ?
Au1 Au3 Au2 59.458(12) . . ?
C2 N1 C7 122.3(8) . . ?
C2 N1 Au1 114.7(7) . . ?
C7 N1 Au1 122.9(6) . . ?
C3 N2 C12 118.3(9) . . ?
C3 N2 Au2 119.1(7) . . ?
C12 N2 Au2 122.5(6) . . ?
C1 N3 C17 118.6(8) . . ?
C1 N3 Au3 117.3(6) . . ?
C17 N3 Au3 124.1(6) . . ?
C1 O1 C4 116.7(8) . . ?
C2 O2 C5 116.7(8) . . ?
C3 O3 C6 118.4(8) . . ?
N3 C1 O1 114.5(8) . . ?
N3 C1 Au1 121.3(7) . . ?
O1 C1 Au1 124.2(8) . . ?
N1 C2 O2 111.5(9) . . ?
N1 C2 Au2 123.0(7) . . ?
O2 C2 Au2 125.4(7) . . ?
N2 C3 O3 115.2(9) . . ?
N2 C3 Au3 120.5(7) . . ?
O3 C3 Au3 124.3(7) . . ?
N1 C7 C8 110.3(8) . . ?
C7 C8 C9 111.4(8) . . ?
C8 C9 C10 110.7(8) . . ?
C11 C10 C9 110.8(9) . . ?
N2 C12 C13 109.5(9) . . ?
C12 C13 C14 113.1(9) . . ?
C15 C14 C13 111.3(9) . . ?
C14 C15 C16 113.1(9) . . ?
N3 C17 C18 110.2(8) . . ?
C19 C18 C17 114.0(9) . . ?
C18 C19 C20 112.7(9) . . ?
C21 C20 C19 113.4(9) . . ?
C22 Au4 N4 177.2(4) . . ?
C22 Au4 Au5 61.8(3) . . ?
N4 Au4 Au5 120.0(3) . . ?
C22 Au4 Au6 121.9(3) . . ?
N4 Au4 Au6 59.9(3) . . ?
Au5 Au4 Au6 60.126(12) . . ?
C23 Au5 N5 177.2(4) . . ?
C23 Au5 Au4 120.3(3) . . ?
N5 Au5 Au4 60.7(3) . . ?
C23 Au5 Au6 60.3(3) . . ?
N5 Au5 Au6 120.8(3) . . ?
Au4 Au5 Au6 60.188(13) . . ?
C23 Au5 Au2 82.5(3) . . ?
N5 Au5 Au2 100.3(2) . . ?
Au4 Au5 Au2 84.919(13) . . ?
Au6 Au5 Au2 72.935(13) . . ?
C24 Au6 N6 175.6(3) . . ?
C24 Au6 Au5 120.1(3) . . ?
N6 Au6 Au5 60.1(2) . . ?
C24 Au6 Au4 60.4(3) . . ?
N6 Au6 Au4 119.6(2) . . ?
Au5 Au6 Au4 59.686(12) . . ?
C24 N4 C28 117.6(8) . . ?
C24 N4 Au4 120.2(8) . . ?
C28 N4 Au4 122.2(7) . . ?
C22 N5 C33 117.7(8) . . ?
C22 N5 Au5 117.2(7) . . ?
C33 N5 Au5 125.0(7) . . ?
C23 N6 C38 119.1(9) . . ?
C23 N6 Au6 118.0(7) . . ?
C38 N6 Au6 122.9(6) . . ?
C22 O4 C25 114.6(8) . . ?
C23 O5 C26 117.5(8) . . ?
C24 O6 C27 118.8(8) . . ?
O4 C22 N5 113.1(9) . . ?
O4 C22 Au4 126.6(8) . . ?
N5 C22 Au4 120.3(7) . . ?
N6 C23 O5 115.7(9) . . ?
N6 C23 Au5 121.6(8) . . ?
O5 C23 Au5 122.8(7) . . ?
N4 C24 O6 116.8(9) . . ?
N4 C24 Au6 119.6(7) . . ?
O6 C24 Au6 123.6(7) . . ?
C29 C28 N4 110.9(8) . . ?
C28 C29 C30 112.2(8) . . ?
C29 C30 C31 112.1(9) . . ?
C32 C31 C30 114.7(9) . . ?
N5 C33 C34 109.4(8) . . ?
C35 C34 C33 114.8(9) . . ?
C36 C35 C34 112.2(8) . . ?
C35 C36 C37 114.9(9) . . ?
N6 C38 C39 111.8(8) . . ?
C40 C39 C38 115.3(9) . . ?
C39 C40 C41 112.2(9) . . ?
C42 C41 C40 116.2(10) . . ?
C43 Au7 N7 178.5(4) . . ?
C43 Au7 Au9 120.8(3) . . ?
N7 Au7 Au9 60.7(2) . . ?
C43 Au7 Au8 60.8(3) . . ?
N7 Au7 Au8 120.7(2) . . ?
Au9 Au7 Au8 60.015(12) . . ?
C44 Au8 N8 179.6(4) . . ?
C44 Au8 Au9 60.2(3) . . ?
N8 Au8 Au9 119.5(2) . . ?
C44 Au8 Au7 119.8(3) . . ?
N8 Au8 Au7 59.9(2) . . ?
Au9 Au8 Au7 59.608(12) . . ?
C45 Au9 N9 177.4(4) . . ?
C45 Au9 Au7 60.9(3) . . ?
N9 Au9 Au7 119.9(2) . . ?
C45 Au9 Au8 121.2(3) . . ?
N9 Au9 Au8 59.6(2) . . ?
Au7 Au9 Au8 60.377(12) . . ?
C45 N7 C49 117.2(8) . . ?
C45 N7 Au7 117.2(7) . . ?
C49 N7 Au7 125.6(7) . . ?
C43 N8 C54 118.2(9) . . ?
C43 N8 Au8 119.0(7) . . ?
C54 N8 Au8 122.7(6) . . ?
C44 N9 C59 119.0(9) . . ?
C44 N9 Au9 118.4(7) . . ?
C59 N9 Au9 122.3(7) . . ?
C43 O7 C46 116.6(8) . . ?
C44 O8 C47 117.9(9) . . ?
C45 O9 C48 116.5(8) . . ?
N8 C43 O7 115.4(9) . . ?
N8 C43 Au7 120.3(8) . . ?
O7 C43 Au7 124.2(7) . . ?
N9 C44 O8 114.8(9) . . ?
N9 C44 Au8 121.5(7) . . ?
O8 C44 Au8 123.7(7) . . ?
N7 C45 O9 114.0(9) . . ?
N7 C45 Au9 121.3(7) . . ?
O9 C45 Au9 124.7(7) . . ?
N7 C49 C50 108.6(8) . . ?
C51 C50 C49 112.1(9) . . ?
C50 C51 C52 110.5(9) . . ?
C51 C52 C53 113.3(9) . . ?
N8 C54 C55 112.1(8) . . ?
C56 C55 C54 115.2(9) . . ?
C55 C56 C57 113.4(9) . . ?
C56 C57 C58 113.6(10) . . ?
N9 C59 C60 110.7(8) . . ?
C61 C60 C59 111.4(8) . . ?
C60 C61 C62 110.8(8) . . ?
C63 C62 C61 113.0(10) . . ?
C64 Au10 N10 178.4(4) . . ?
C64 Au10 Au11 121.5(4) . . ?
N10 Au10 Au11 59.9(3) . . ?
C64 Au10 Au12 60.5(4) . . ?
N10 Au10 Au12 120.9(3) . . ?
Au11 Au10 Au12 61.010(13) . . ?
C65 Au11 N11 179.8(4) . . ?
C65 Au11 Au10 60.9(3) . . ?
N11 Au11 Au10 119.0(2) . . ?
C65 Au11 Au12 120.4(3) . . ?
N11 Au11 Au12 59.5(2) . . ?
Au10 Au11 Au12 59.614(12) . . ?
C66 Au12 N12 179.8(4) . . ?
C66 Au12 Au10 119.6(3) . . ?
N12 Au12 Au10 60.5(2) . . ?
C66 Au12 Au11 60.3(3) . . ?
N12 Au12 Au11 119.8(2) . . ?
Au10 Au12 Au11 59.376(12) . . ?
C65 N10 C70 121.5(9) . . ?
C65 N10 Au10 117.1(7) . . ?
C70 N10 Au10 121.3(6) . . ?
C66 N11 C75 118.6(9) . . ?
C66 N11 Au11 118.9(7) . . ?
C75 N11 Au11 122.4(6) . . ?
C64 N12 C80 120.8(9) . . ?
C64 N12 Au12 116.4(7) . . ?
C80 N12 Au12 122.9(7) . . ?
C64 O10 C67 117.6(8) . . ?
C65 O11 C68 117.2(8) . . ?
C66 O12 C69 117.8(8) . . ?
N12 C64 O10 114.8(9) . . ?
N12 C64 Au10 122.6(8) . . ?
O10 C64 Au10 122.5(8) . . ?
N10 C65 O11 112.7(10) . . ?
N10 C65 Au11 121.6(7) . . ?
O11 C65 Au11 125.5(7) . . ?
N11 C66 O12 114.2(10) . . ?
N11 C66 Au12 121.3(8) . . ?
O12 C66 Au12 124.4(7) . . ?
N10 C70 C71 112.5(8) . . ?
C72 C71 C70 111.9(8) . . ?
C71 C72 C73 111.6(8) . . ?
C72 C73 C74 110.9(9) . . ?
N11 C75 C76 110.7(9) . . ?
C75 C76 C77 113.1(9) . . ?
C78 C77 C76 111.0(9) . . ?
C79 C78 C77 112.3(10) . . ?
N12 C80 C81 110.8(8) . . ?
C82 C81 C80 111.8(9) . . ?
C83 C82 C81 110.6(9) . . ?
C82 C83 C84 112.8(8) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 1.984(9) . ?
Au1 N1 2.067(8) . ?
Au1 Au2 3.2807(6) . ?
Au1 Au3 3.2862(6) . ?
Au2 C2 1.969(11) . ?
Au2 N2 2.057(9) . ?
Au2 Au3 3.3291(6) . ?
Au2 Au5 3.3455(6) . ?
Au3 C3 2.000(11) . ?
Au3 N3 2.054(8) . ?
N1 C2 1.334(13) . ?
N1 C7 1.461(13) . ?
N2 C3 1.310(13) . ?
N2 C12 1.505(13) . ?
N3 C1 1.310(13) . ?
N3 C17 1.496(12) . ?
O1 C1 1.351(12) . ?
O1 C4 1.474(14) . ?
O2 C2 1.376(12) . ?
O2 C5 1.429(12) . ?
O3 C3 1.366(12) . ?
O3 C6 1.418(13) . ?
C7 C8 1.504(13) . ?
C8 C9 1.522(13) . ?
C9 C10 1.544(13) . ?
C10 C11 1.526(15) . ?
C12 C13 1.531(13) . ?
C13 C14 1.532(14) . ?
C14 C15 1.512(14) . ?
C15 C16 1.528(14) . ?
C17 C18 1.530(15) . ?
C18 C19 1.520(14) . ?
C19 C20 1.532(16) . ?
C20 C21 1.502(15) . ?
Au4 C22 1.974(10) . ?
Au4 N4 2.034(9) . ?
Au4 Au5 3.2919(6) . ?
Au4 Au6 3.3087(6) . ?
Au5 C23 2.007(10) . ?
Au5 N5 2.053(9) . ?
Au5 Au6 3.3066(6) . ?
Au6 C24 2.025(10) . ?
Au6 N6 2.059(9) . ?
N4 C24 1.287(13) . ?
N4 C28 1.512(14) . ?
N5 C22 1.356(14) . ?
N5 C33 1.493(13) . ?
N6 C23 1.288(13) . ?
N6 C38 1.472(13) . ?
O4 C22 1.344(12) . ?
O4 C25 1.422(14) . ?
O5 C23 1.359(12) . ?
O5 C26 1.438(13) . ?
O6 C24 1.351(11) . ?
O6 C27 1.413(13) . ?
C28 C29 1.492(14) . ?
C29 C30 1.526(14) . ?
C30 C31 1.529(15) . ?
C31 C32 1.490(16) . ?
C33 C34 1.522(15) . ?
C34 C35 1.514(14) . ?
C35 C36 1.511(15) . ?
C36 C37 1.515(15) . ?
C38 C39 1.534(13) . ?
C39 C40 1.501(14) . ?
C40 C41 1.525(14) . ?
C41 C42 1.507(15) . ?
Au7 C43 2.008(10) . ?
Au7 N7 2.052(8) . ?
Au7 Au9 3.3009(6) . ?
Au7 Au8 3.3266(6) . ?
Au8 C44 1.996(11) . ?
Au8 N8 2.054(8) . ?
Au8 Au9 3.3146(6) . ?
Au9 C45 1.991(10) . ?
Au9 N9 2.057(8) . ?
N7 C45 1.328(13) . ?
N7 C49 1.482(12) . ?
N8 C43 1.318(12) . ?
N8 C54 1.481(13) . ?
N9 C44 1.284(13) . ?
N9 C59 1.488(13) . ?
O7 C43 1.333(12) . ?
O7 C46 1.430(12) . ?
O8 C44 1.370(12) . ?
O8 C47 1.406(13) . ?
O9 C45 1.340(12) . ?
O9 C48 1.424(13) . ?
C49 C50 1.568(16) . ?
C50 C51 1.512(14) . ?
C51 C52 1.516(15) . ?
C52 C53 1.531(15) . ?
C54 C55 1.511(14) . ?
C55 C56 1.508(14) . ?
C56 C57 1.515(14) . ?
C57 C58 1.517(16) . ?
C59 C60 1.531(15) . ?
C60 C61 1.528(14) . ?
C61 C62 1.534(15) . ?
C62 C63 1.522(17) . ?
Au10 C64 1.979(11) . ?
Au10 N10 2.063(8) . ?
Au10 Au11 3.2908(6) . ?
Au10 Au12 3.2988(6) . ?
Au11 C65 1.972(12) . ?
Au11 N11 2.055(9) . ?
Au11 Au12 3.3450(6) . ?
Au12 C66 1.994(11) . ?
Au12 N12 2.062(9) . ?
N10 C65 1.303(13) . ?
N10 C70 1.478(13) . ?
N11 C66 1.314(13) . ?
N11 C75 1.481(14) . ?
N12 C64 1.309(15) . ?
N12 C80 1.492(12) . ?
O10 C64 1.360(13) . ?
O10 C67 1.459(14) . ?
O11 C65 1.373(12) . ?
O11 C68 1.441(13) . ?
O12 C66 1.355(12) . ?
O12 C69 1.443(13) . ?
C70 C71 1.515(14) . ?
C71 C72 1.505(14) . ?
C72 C73 1.533(13) . ?
C73 C74 1.559(17) . ?
C75 C76 1.527(14) . ?
C76 C77 1.540(14) . ?
C77 C78 1.514(15) . ?
C78 C79 1.512(16) . ?
C80 C81 1.544(16) . ?
C81 C82 1.530(14) . ?
C82 C83 1.511(15) . ?
C83 C84 1.562(15) . ?
