#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:00:00 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178928 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/57/4115705.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_4115705
loop_
_publ_author_name
'Manal A. Rawashdeh-Omary'
'Mohammad A. Omary'
'John P. Fackler'
'Rossana Galassi'
'Bianca R. Pietroni'
'Alfredo Burini'
_publ_section_title
;
 Chemistry and Optoelectronic Properties of Stacked Supramolecular
 Entities of Trinuclear Gold(I) Complexes Sandwiching Small Organic Acids
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9689
_journal_page_last               9691
_journal_paper_doi               10.1021/ja016279g
_journal_volume                  123
_journal_year                    2001
_chemical_formula_sum            'C36 H29 Au3 N8'
_chemical_formula_weight         1164.57
_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                106.249(5)
_cell_angle_beta                 107.005(5)
_cell_angle_gamma                94.076(5)
_cell_formula_units_Z            2
_cell_length_a                   11.581(5)
_cell_length_b                   11.688(5)
_cell_length_c                   13.572(5)
_cell_measurement_reflns_used    4764
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      28.0815
_cell_measurement_theta_min      2.373
_cell_volume                     1663.0(12)
_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      110(2)
_diffrn_measured_fraction_theta_full 0.917
_diffrn_measured_fraction_theta_max 0.917
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         normal-focus
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_sigmaI/netI    0.0461
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            23901
_diffrn_reflns_theta_full        28.46
_diffrn_reflns_theta_max         28.46
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    13.240
_exptl_absorpt_correction_T_max  0.266069
_exptl_absorpt_correction_T_min  0.164737
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    2.326
_exptl_crystal_description       block
_exptl_crystal_F_000             1076
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         9.296
_refine_diff_density_min         -2.686
_refine_diff_density_rms         0.380
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         7716
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.175
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0495
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0700P)²+2.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1185
_refine_ls_wR_factor_ref         0.1248
_reflns_number_gt                6540
_reflns_number_total             7716
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja016279g_s1_1.cif
_cod_data_source_block           jf13
_cod_database_code               4115705
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
Au1 Au 0.99386(3) 0.85694(2) 0.37825(2) 0.02044(10) Uani 1 1 d .
Au2 Au 0.83913(3) 1.06309(2) 0.34725(2) 0.02078(10) Uani 1 1 d .
Au3 Au 1.12149(3) 1.24983(2) 0.44406(2) 0.02073(10) Uani 1 1 d .
N1 N 0.8234(6) 0.7489(6) 0.3285(5) 0.0226(13) Uani 1 1 d .
N2 N 0.6746(6) 0.6323(5) 0.3415(5) 0.0190(12) Uani 1 1 d .
N3 N 0.7694(6) 1.0157(6) 0.4537(5) 0.0228(13) Uani 1 1 d .
N4 N 0.7603(6) 1.0047(5) 0.6099(5) 0.0208(13) Uani 1 1 d .
N5 N 1.0188(6) 1.1930(6) 0.2826(5) 0.0248(14) Uani 1 1 d .
N6 N 0.8579(6) 1.0981(6) 0.1393(5) 0.0248(14) Uani 1 1 d .
C1 C 0.7857(7) 0.7054(6) 0.3977(7) 0.0239(16) Uani 1 1 d .
C2 C 0.7360(8) 0.7043(8) 0.2262(7) 0.0286(17) Uani 1 1 d .
H2A H 0.7395 0.7214 0.1626 0.034 Uiso 1 1 calc R
C3 C 0.6425(9) 0.6303(8) 0.2340(8) 0.035(2) Uani 1 1 d .
H3A H 0.5702 0.5864 0.1768 0.042 Uiso 1 1 calc R
C4 C 0.6047(7) 0.5615(7) 0.3850(7) 0.0241(16) Uani 1 1 d .
H4A H 0.6617 0.5228 0.4304 0.029 Uiso 1 1 calc R
H4B H 0.5453 0.4964 0.3238 0.029 Uiso 1 1 calc R
C5 C 0.5360(7) 0.6353(6) 0.4525(7) 0.0235(16) Uani 1 1 d .
C6 C 0.4294(8) 0.6731(7) 0.4014(7) 0.0297(17) Uani 1 1 d .
H6A H 0.4007 0.6544 0.3247 0.036 Uiso 1 1 calc R
C7 C 0.3661(7) 0.7379(8) 0.4634(8) 0.035(2) Uani 1 1 d .
H7A H 0.2945 0.7654 0.4293 0.042 Uiso 1 1 calc R
C8 C 0.4059(8) 0.7630(7) 0.5745(7) 0.0306(18) Uani 1 1 d .
H8A H 0.3610 0.8072 0.6162 0.037 Uiso 1 1 calc R
C9 C 0.5103(9) 0.7246(7) 0.6261(8) 0.034(2) Uani 1 1 d .
H9A H 0.5375 0.7422 0.7027 0.041 Uiso 1 1 calc R
C10 C 0.5750(7) 0.6598(7) 0.5640(7) 0.0274(17) Uani 1 1 d .
H10A H 0.6464 0.6321 0.5984 0.033 Uiso 1 1 calc R
C11 C 0.8357(7) 1.0470(6) 0.5609(6) 0.0204(15) Uani 1 1 d .
C12 C 0.6543(7) 0.9531(7) 0.4360(6) 0.0246(16) Uani 1 1 d .
H12A H 0.5905 0.9209 0.3683 0.030 Uiso 1 1 calc R
C13 C 0.6504(9) 0.9466(7) 0.5348(7) 0.0301(18) Uani 1 1 d .
H13A H 0.5836 0.9088 0.5480 0.036 Uiso 1 1 calc R
C14 C 0.7994(7) 1.0135(7) 0.7263(6) 0.0223(15) Uani 1 1 d .
H14A H 0.8899 1.0275 0.7556 0.027 Uiso 1 1 calc R
H14B H 0.7687 0.9361 0.7337 0.027 Uiso 1 1 calc R
C15 C 0.7521(7) 1.1140(7) 0.7908(6) 0.0259(17) Uani 1 1 d .
C16 C 0.6407(8) 1.0930(8) 0.8071(7) 0.0320(18) Uani 1 1 d .
H16A H 0.5924 1.0146 0.7756 0.038 Uiso 1 1 calc R
C17 C 0.5995(10) 1.1877(10) 0.8701(8) 0.043(2) Uani 1 1 d .
H17A H 0.5225 1.1741 0.8801 0.052 Uiso 1 1 calc R
C18 C 0.6726(11) 1.3027(10) 0.9183(7) 0.048(3) Uani 1 1 d .
H18A H 0.6482 1.3654 0.9656 0.058 Uiso 1 1 calc R
C19 C 0.7794(10) 1.3240(9) 0.8968(7) 0.043(2) Uani 1 1 d .
H19A H 0.8251 1.4035 0.9254 0.051 Uiso 1 1 calc R
C20 C 0.8219(9) 1.2325(7) 0.8346(7) 0.0333(19) Uani 1 1 d .
H20A H 0.8966 1.2486 0.8213 0.040 Uiso 1 1 calc R
C21 C 0.9094(7) 1.1216(7) 0.2489(6) 0.0228(15) Uani 1 1 d .
C22 C 1.0391(9) 1.2170(7) 0.1935(7) 0.0313(19) Uani 1 1 d .
H22A H 1.1080 1.2651 0.1923 0.038 Uiso 1 1 calc R
C23 C 0.9404(7) 1.1574(7) 0.1111(11) 0.048(3) Uani 1 1 d .
H23A H 0.9288 1.1566 0.0386 0.057 Uiso 1 1 calc R
C24 C 0.7390(8) 1.0264(7) 0.0744(7) 0.0283(17) Uani 1 1 d .
H24A H 0.7024 1.0594 0.0148 0.034 Uiso 1 1 calc R
H24B H 0.6854 1.0350 0.1202 0.034 Uiso 1 1 calc R
C25 C 0.7404(7) 0.8925(7) 0.0255(6) 0.0244(16) Uani 1 1 d .
C26 C 0.6268(8) 0.8163(8) -0.0404(7) 0.0330(19) Uani 1 1 d .
H26A H 0.5537 0.8502 -0.0523 0.040 Uiso 1 1 calc R
C27 C 0.6208(8) 0.6947(8) -0.0871(8) 0.035(2) Uani 1 1 d .
H27A H 0.5439 0.6447 -0.1292 0.043 Uiso 1 1 calc R
C28 C 0.7263(8) 0.6456(8) -0.0728(7) 0.0342(19) Uani 1 1 d .
H28A H 0.7227 0.5620 -0.1075 0.041 Uiso 1 1 calc R
C29 C 0.8389(8) 0.7180(8) -0.0075(7) 0.0314(18) Uani 1 1 d .
H29A H 0.9117 0.6837 0.0045 0.038 Uiso 1 1 calc R
C30 C 0.8432(8) 0.8428(8) 0.0405(7) 0.0277(17) Uani 1 1 d .
H30A H 0.9198 0.8926 0.0841 0.033 Uiso 1 1 calc R
N1TQ N 0.3255(7) 0.7029(7) 0.8187(7) 0.0383(18) Uani 1 1 d .
N2TQ N 0.0201(8) 0.4712(7) 0.8454(7) 0.0435(19) Uani 1 1 d .
C1TQ C 0.2317(8) 0.6382(7) 0.7780(7) 0.0276(15) Uani 1 1 d U
C2TQ C 0.0636(8) 0.5101(7) 0.7905(8) 0.0323(17) Uani 1 1 d U
C3TQ C 0.1170(7) 0.5567(7) 0.7224(7) 0.0273(14) Uani 1 1 d U
C4TQ C 0.0504(7) 0.5338(6) 0.6056(7) 0.0203(12) Uani 1 1 d U
C5TQ C -0.0576(7) 0.4462(6) 0.5575(7) 0.0243(14) Uani 1 1 d U
H5TA H -0.0899 0.4095 0.6002 0.029 Uiso 1 1 calc R
C6TQ C 0.1123(7) 0.5831(6) 0.5489(7) 0.0246(14) Uani 1 1 d U
H6TA H 0.1893 0.6348 0.5846 0.030 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'
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
C11 Au1 N1 173.8(3) 2_776 .
C11 Au1 Au2 100.22(19) 2_776 .
N1 Au1 Au2 84.19(17) . .
C21 Au2 N3 176.0(3) . .
C21 Au2 Au1 99.9(2) . .
N3 Au2 Au1 82.73(17) . .
C1 Au3 N5 175.7(3) 2_776 .
C1 N1 C2 109.1(7) . .
C1 N1 Au1 121.2(5) . .
C2 N1 Au1 129.6(5) . .
C1 N2 C3 108.5(7) . .
C1 N2 C4 126.0(7) . .
C3 N2 C4 125.4(7) . .
C11 N3 C12 109.2(6) . .
C11 N3 Au2 121.2(5) . .
C12 N3 Au2 129.7(5) . .
C13 N4 C11 110.4(6) . .
C13 N4 C14 125.5(6) . .
C11 N4 C14 123.9(6) . .
C21 N5 C22 108.7(7) . .
C21 N5 Au3 119.7(5) . .
C22 N5 Au3 131.6(6) . .
C23 N6 C21 104.7(8) . .
C23 N6 C24 130.4(8) . .
C21 N6 C24 124.8(7) . .
N1 C1 N2 108.3(7) . .
N1 C1 Au3 123.6(6) . 2_776
N2 C1 Au3 128.0(6) . 2_776
N1 C2 C3 107.2(7) . .
C2 C3 N2 106.9(8) . .
N2 C4 C5 113.8(6) . .
C10 C5 C6 120.0(7) . .
C10 C5 C4 120.1(7) . .
C6 C5 C4 119.8(7) . .
C7 C6 C5 119.3(8) . .
C8 C7 C6 120.5(8) . .
C7 C8 C9 120.7(8) . .
C8 C9 C10 119.0(8) . .
C5 C10 C9 120.4(8) . .
N3 C11 N4 106.1(6) . .
N3 C11 Au1 122.0(5) . 2_776
N4 C11 Au1 131.9(6) . 2_776
C13 C12 N3 107.4(7) . .
N4 C13 C12 106.9(8) . .
N4 C14 C15 111.6(6) . .
C16 C15 C20 119.9(8) . .
C16 C15 C14 120.7(8) . .
C20 C15 C14 119.4(8) . .
C15 C16 C17 119.8(9) . .
C16 C17 C18 119.8(9) . .
C19 C18 C17 119.8(9) . .
C18 C19 C20 121.5(10) . .
C19 C20 C15 119.0(9) . .
N5 C21 N6 108.8(7) . .
N5 C21 Au2 123.7(6) . .
N6 C21 Au2 127.5(6) . .
C23 C22 N5 104.1(8) . .
C22 C23 N6 113.7(11) . .
N6 C24 C25 114.6(7) . .
C30 C25 C26 118.5(7) . .
C30 C25 C24 123.6(7) . .
C26 C25 C24 117.8(7) . .
C27 C26 C25 121.1(8) . .
C28 C27 C26 119.8(8) . .
C27 C28 C29 120.2(8) . .
C28 C29 C30 119.2(8) . .
C25 C30 C29 121.1(8) . .
N1TQ C1TQ C3TQ 177.1(9) . .
N2TQ C2TQ C3TQ 179.4(9) . .
C1TQ C3TQ C2TQ 115.7(8) . .
C1TQ C3TQ C4TQ 122.1(7) . .
C2TQ C3TQ C4TQ 121.8(7) . .
C6TQ C4TQ C5TQ 125.2(8) . .
C6TQ C4TQ C3TQ 116.2(7) . .
C5TQ C4TQ C3TQ 117.3(7) . .
C6TQ C5TQ C4TQ 118.1(8) 2_566 .
C5TQ C6TQ C4TQ 116.3(8) 2_566 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C11 2.013(8) 2_776
Au1 N1 2.082(7) .
Au1 Au2 3.1518(11) .
Au2 C21 1.995(8) .
Au2 N3 2.028(7) .
Au3 C1 1.995(8) 2_776
Au3 N5 2.050(7) .
N1 C1 1.344(10) .
N1 C2 1.387(11) .
N2 C1 1.369(10) .
N2 C3 1.389(11) .
N2 C4 1.465(9) .
N3 C11 1.359(10) .
N3 C12 1.394(10) .
N4 C13 1.360(11) .
N4 C11 1.383(9) .
N4 C14 1.482(9) .
N5 C21 1.345(10) .
N5 C22 1.395(10) .
N6 C23 1.345(11) .
N6 C21 1.367(10) .
N6 C24 1.445(11) .
C1 Au3 1.995(8) 2_776
C2 C3 1.385(13) .
C4 C5 1.516(10) .
C5 C10 1.384(12) .
C5 C6 1.396(11) .
C6 C7 1.379(12) .
C7 C8 1.378(13) .
C8 C9 1.383(13) .
C9 C10 1.393(12) .
C11 Au1 2.013(8) 2_776
C12 C13 1.378(11) .
C14 C15 1.497(10) .
C15 C16 1.388(12) .
C15 C20 1.423(12) .
C16 C17 1.402(12) .
C17 C18 1.405(16) .
C18 C19 1.373(16) .
C19 C20 1.382(12) .
C22 C23 1.321(14) .
C24 C25 1.524(11) .
C25 C30 1.348(11) .
C25 C26 1.423(12) .
C26 C27 1.373(12) .
C27 C28 1.372(12) .
C28 C29 1.396(13) .
C29 C30 1.412(12) .
N1TQ C1TQ 1.164(11) .
N2TQ C2TQ 1.181(12) .
C1TQ C3TQ 1.440(12) .
C2TQ C3TQ 1.449(13) .
C3TQ C4TQ 1.483(12) .
C4TQ C6TQ 1.397(10) .
C4TQ C5TQ 1.415(10) .
C5TQ C6TQ 1.327(12) 2_566
C6TQ C5TQ 1.327(12) 2_566
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C11 Au1 Au2 C21 57.9(3) 2_776 .
N1 Au1 Au2 C21 -126.5(3) . .
C11 Au1 Au2 N3 -119.1(3) 2_776 .
N1 Au1 Au2 N3 56.5(3) . .
C11 Au1 N1 C1 24(3) 2_776 .
Au2 Au1 N1 C1 -111.2(5) . .
C11 Au1 N1 C2 -152(2) 2_776 .
Au2 Au1 N1 C2 72.8(6) . .
C21 Au2 N3 C11 -58(4) . .
Au1 Au2 N3 C11 74.2(5) . .
C21 Au2 N3 C12 121(4) . .
Au1 Au2 N3 C12 -107.4(6) . .
C1 Au3 N5 C21 22(4) 2_776 .
C1 Au3 N5 C22 -160(3) 2_776 .
C2 N1 C1 N2 0.3(8) . .
Au1 N1 C1 N2 -176.5(4) . .
C2 N1 C1 Au3 -177.4(5) . 2_776
Au1 N1 C1 Au3 5.9(8) . 2_776
C3 N2 C1 N1 0.1(8) . .
C4 N2 C1 N1 176.3(6) . .
C3 N2 C1 Au3 177.6(5) . 2_776
C4 N2 C1 Au3 -6.2(10) . 2_776
C1 N1 C2 C3 -0.6(9) . .
Au1 N1 C2 C3 175.8(5) . .
N1 C2 C3 N2 0.6(9) . .
C1 N2 C3 C2 -0.5(8) . .
C4 N2 C3 C2 -176.7(7) . .
C1 N2 C4 C5 78.6(9) . .
C3 N2 C4 C5 -105.8(8) . .
N2 C4 C5 C10 -108.4(8) . .
N2 C4 C5 C6 75.0(9) . .
C10 C5 C6 C7 2.0(11) . .
C4 C5 C6 C7 178.6(7) . .
C5 C6 C7 C8 -1.4(12) . .
C6 C7 C8 C9 0.5(13) . .
C7 C8 C9 C10 -0.1(12) . .
C6 C5 C10 C9 -1.6(11) . .
C4 C5 C10 C9 -178.2(7) . .
C8 C9 C10 C5 0.7(11) . .
C12 N3 C11 N4 -0.7(8) . .
Au2 N3 C11 N4 178.0(4) . .
C12 N3 C11 Au1 -178.3(5) . 2_776
Au2 N3 C11 Au1 0.5(8) . 2_776
C13 N4 C11 N3 0.9(8) . .
C14 N4 C11 N3 176.3(6) . .
C13 N4 C11 Au1 178.2(5) . 2_776
C14 N4 C11 Au1 -6.4(10) . 2_776
C11 N3 C12 C13 0.2(8) . .
Au2 N3 C12 C13 -178.4(5) . .
C11 N4 C13 C12 -0.8(8) . .
C14 N4 C13 C12 -176.1(7) . .
N3 C12 C13 N4 0.4(8) . .
C13 N4 C14 C15 -83.1(9) . .
C11 N4 C14 C15 102.2(8) . .
N4 C14 C15 C16 91.4(8) . .
N4 C14 C15 C20 -87.8(9) . .
C20 C15 C16 C17 -2.4(12) . .
C14 C15 C16 C17 178.4(7) . .
C15 C16 C17 C18 -1.4(13) . .
C16 C17 C18 C19 4.9(13) . .
C17 C18 C19 C20 -4.7(13) . .
C18 C19 C20 C15 0.8(13) . .
C16 C15 C20 C19 2.7(12) . .
C14 C15 C20 C19 -178.0(7) . .
C22 N5 C21 N6 0.2(8) . .
Au3 N5 C21 N6 178.8(5) . .
C22 N5 C21 Au2 -179.7(5) . .
Au3 N5 C21 Au2 -1.1(8) . .
C23 N6 C21 N5 0.1(8) . .
C24 N6 C21 N5 -178.7(7) . .
C23 N6 C21 Au2 -180.0(5) . .
C24 N6 C21 Au2 1.2(10) . .
N3 Au2 C21 N5 54(4) . .
Au1 Au2 C21 N5 -77.0(6) . .
N3 Au2 C21 N6 -126(4) . .
Au1 Au2 C21 N6 103.2(6) . .
C21 N5 C22 C23 -0.5(9) . .
Au3 N5 C22 C23 -178.8(5) . .
N5 C22 C23 N6 0.6(9) . .
C21 N6 C23 C22 -0.5(9) . .
C24 N6 C23 C22 178.2(8) . .
C23 N6 C24 C25 90.3(9) . .
C21 N6 C24 C25 -91.2(9) . .
N6 C24 C25 C30 0.0(11) . .
N6 C24 C25 C26 -179.4(7) . .
C30 C25 C26 C27 0.6(13) . .
C24 C25 C26 C27 -179.9(8) . .
C25 C26 C27 C28 -1.8(14) . .
C26 C27 C28 C29 2.5(14) . .
C27 C28 C29 C30 -2.1(13) . .
C26 C25 C30 C29 -0.2(12) . .
C24 C25 C30 C29 -179.6(8) . .
C28 C29 C30 C25 0.9(12) . .
N1TQ C1TQ C3TQ C2TQ 159(17) . .
N1TQ C1TQ C3TQ C4TQ -28(17) . .
N2TQ C2TQ C3TQ C1TQ -119(100) . .
N2TQ C2TQ C3TQ C4TQ 68(100) . .
C1TQ C3TQ C4TQ C6TQ 8.0(11) . .
C2TQ C3TQ C4TQ C6TQ -179.6(7) . .
C1TQ C3TQ C4TQ C5TQ 176.0(7) . .
C2TQ C3TQ C4TQ C5TQ -11.6(11) . .
C6TQ C4TQ C5TQ C6TQ -7.3(13) . 2_566
C3TQ C4TQ C5TQ C6TQ -174.2(7) . 2_566
C5TQ C4TQ C6TQ C5TQ 7.2(13) . 2_566
C3TQ C4TQ C6TQ C5TQ 174.2(7) . 2_566
