#------------------------------------------------------------------------------
#$Date: 2018-09-26 20:45:16 +0300 (Wed, 26 Sep 2018) $
#$Revision: 211179 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/18/7041807.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_7041807
loop_
_publ_author_name
'Rieb, Julia'
'Dominelli, Bruno'
'Mayer, David'
'Jandl, Christian'
'Drechsel, Jonas'
'Heydenreuter, Wolfgang'
'Sieber, Stephan A.'
'Kühn, Fritz E'
_publ_section_title
;
 Influence of wing-tip substituents and reaction conditions on the
 structure, properties and cytotoxicity of Ag(i)- and Au(i)-bis(NHC)
 complexes.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2722
_journal_page_last               2735
_journal_paper_doi               10.1039/c6dt04559f
_journal_volume                  46
_journal_year                    2017
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C28 H44 Au2 N8 O2, 2(F6 P), 2(C4 H10 O)'
_chemical_formula_sum            'C36 H64 Au2 F12 N8 O4 P2'
_chemical_formula_weight         1356.83
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2016-12-01 deposited with the CCDC.
2017-01-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.292(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.1974(3)
_cell_length_b                   23.8226(9)
_cell_length_c                   12.3123(4)
_cell_measurement_reflns_used    9946
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.3039
_cell_measurement_theta_min      2.4846
_cell_volume                     2404.36(15)
_computing_cell_refinement       'SAINT (Bruker, 2015)'
_computing_data_collection       'APEX III Control Software (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2015)'
_computing_molecular_graphics    'PLATON (Spek, 2011)'
_computing_publication_material  'PLATON (Spek, 2011), enCIFer (Allen, 2014)'
_computing_structure_refinement
'SHELXL2014 (Sheldrick, 2014), SHELXLE (Huebschle, 2011)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100
_diffrn_detector                 ' CMOS plate '
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       ' κ-geometry diffractometer '
_diffrn_measurement_device_type  ' Bruker Photon CMOS '
_diffrn_measurement_method       ' phi- and omega-rotation '
_diffrn_radiation_monochromator  'Helios optic'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'IMS microsource'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_unetI/netI     0.0149
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            116889
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    6.254
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.3527
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5, Bruker, 2014'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.874
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.552
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.617
_refine_diff_density_min         -1.321
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         6009
_refine_ls_number_restraints     153
_refine_ls_restrained_S_all      1.146
_refine_ls_R_factor_all          0.0216
_refine_ls_R_factor_gt           0.0180
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'W=1/[Σ²(FO²)+(0.0106P)²+3.6110P] WHERE P=(FO²+2FC²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0346
_refine_ls_wR_factor_ref         0.0353
_reflns_number_gt                5552
_reflns_number_total             6009
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c6dt04559f2.cif
_cod_data_source_block           Au2_LiPr_2_PF6_2
_cod_depositor_comments
'Adding full bibliography for 7041805--7041812.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7041807
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au Uani 0.61668(2) 0.44386(2) 0.55712(2) 1.000 0.0083(1) d . . .
P1 P Uani 0.39553(7) 0.37050(2) 0.87996(4) 1.000 0.0115(2) d . . .
O1 O Uani 0.1900(2) 0.55548(8) 0.78553(16) 1.000 0.0249(5) d . . .
N1 N Uani 0.8452(2) 0.47522(8) 0.74333(14) 1.000 0.0110(5) d . . .
F1 F Uani 0.52732(18) 0.41899(6) 0.89673(13) 1.000 0.0235(4) d . . .
N2 N Uani 0.6243(2) 0.52300(7) 0.75005(14) 1.000 0.0095(5) d . . .
F2 F Uani 0.26407(18) 0.32108(6) 0.86493(12) 1.000 0.0221(4) d . . .
F3 F Uani 0.42642(18) 0.35023(6) 1.00353(11) 1.000 0.0196(4) d . . .
N3 N Uani 0.4786(2) 0.59979(7) 0.67029(14) 1.000 0.0099(5) d . . .
N4 N Uani 0.5014(2) 0.66211(8) 0.54580(15) 1.000 0.0131(5) d . . .
F4 F Uani 0.25419(17) 0.41172(6) 0.92204(11) 1.000 0.0175(4) d . . .
F5 F Uani 0.36289(18) 0.39112(6) 0.75826(11) 1.000 0.0227(4) d . . .
F6 F Uani 0.53544(17) 0.32853(6) 0.83898(11) 1.000 0.0205(4) d . . .
C1 C Uani 0.9117(3) 0.37569(10) 0.7047(2) 1.000 0.0215(7) d . . .
C2 C Uani 0.9769(3) 0.43519(9) 0.71352(18) 1.000 0.0139(6) d . . .
C3 C Uani 1.0627(3) 0.45392(10) 0.61063(19) 1.000 0.0183(7) d . . .
C4 C Uani 0.7044(3) 0.48452(9) 0.68899(17) 1.000 0.0093(6) d . . .
C5 C Uani 0.8524(3) 0.50749(10) 0.83658(18) 1.000 0.0144(6) d . . .
C6 C Uani 0.7141(3) 0.53741(10) 0.84153(18) 1.000 0.0136(6) d . . .
C7 C Uani 0.4637(3) 0.54483(9) 0.72252(17) 1.000 0.0099(6) d . . .
C8 C Uani 0.4643(3) 0.60774(9) 0.56162(17) 1.000 0.0103(6) d . . .
C9 C Uani 0.5235(3) 0.64937(9) 0.72149(18) 1.000 0.0140(6) d . . .
C10 C Uani 0.5373(3) 0.68841(10) 0.64369(18) 1.000 0.0157(7) d . . .
C11 C Uani 0.5033(3) 0.68992(9) 0.43811(18) 1.000 0.0155(6) d . . .
C12 C Uani 0.3680(3) 0.73338(10) 0.4306(2) 1.000 0.0227(8) d . . .
C13 C Uani 0.6711(3) 0.71463(11) 0.4166(2) 1.000 0.0213(7) d . . .
C14 C Uani 0.3516(3) 0.54645(10) 0.82143(19) 1.000 0.0155(6) d . . .
O2A O Uani 0.0729(5) 0.6631(3) 0.8143(3) 0.622(8) 0.0254(9) d DUP A 2
O2 O Uani 0.1130(10) 0.6662(5) 0.7989(6) 0.378(8) 0.0307(14) d DUP A 1
C15A C Uani 0.0972(13) 0.6403(4) 1.0013(5) 0.622(8) 0.0280(18) d DUP A 2
C16A C Uani 0.0048(8) 0.6732(3) 0.9176(4) 0.622(8) 0.0242(11) d DUP A 2
C17A C Uani -0.0079(7) 0.6924(2) 0.7280(4) 0.622(8) 0.0337(12) d DUP A 2
C18A C Uani 0.0693(10) 0.6810(4) 0.6240(5) 0.622(8) 0.069(2) d DUP A 2
C15 C Uani 0.075(2) 0.6526(7) 0.9879(8) 0.378(8) 0.025(2) d DUP A 1
C16 C Uani 0.0110(14) 0.6801(5) 0.8871(8) 0.378(8) 0.0273(12) d DUP A 1
C17 C Uani 0.0642(14) 0.6929(4) 0.6991(7) 0.378(8) 0.0437(16) d DUP A 1
C18 C Uani 0.0016(13) 0.6520(4) 0.6211(7) 0.378(8) 0.044(2) d DUP A 1
H1 H Uiso 0.16900 0.59000 0.78740 1.000 0.0300 c RU . .
H1A H Uiso 0.85220 0.37140 0.63590 1.000 0.0320 c RU . .
H1B H Uiso 0.83800 0.36820 0.76540 1.000 0.0320 c RU . .
H1C H Uiso 1.00290 0.34910 0.70700 1.000 0.0320 c RU . .
H2 H Uiso 1.05940 0.43560 0.77360 1.000 0.0170 c RU . .
H3A H Uiso 0.98670 0.45170 0.54910 1.000 0.0270 c RU . .
H3B H Uiso 1.15650 0.42940 0.59720 1.000 0.0270 c RU . .
H3C H Uiso 1.10020 0.49270 0.61920 1.000 0.0270 c RU . .
H5 H Uiso 0.93950 0.50830 0.88780 1.000 0.0170 c RU . .
H6 H Uiso 0.68380 0.56330 0.89660 1.000 0.0160 c RU . .
H7 H Uiso 0.41360 0.51860 0.66840 1.000 0.0120 c RU . .
H9 H Uiso 0.54100 0.65460 0.79710 1.000 0.0170 c RU . .
H10 H Uiso 0.56610 0.72670 0.65360 1.000 0.0190 c RU . .
H11 H Uiso 0.48170 0.66060 0.38170 1.000 0.0190 c RU . .
H12A H Uiso 0.36520 0.74930 0.35720 1.000 0.0340 c RU . .
H12B H Uiso 0.38840 0.76330 0.48350 1.000 0.0340 c RU . .
H12C H Uiso 0.26300 0.71550 0.44620 1.000 0.0340 c RU . .
H13A H Uiso 0.67380 0.73040 0.34310 1.000 0.0320 c RU . .
H13B H Uiso 0.75380 0.68510 0.42330 1.000 0.0320 c RU . .
H13C H Uiso 0.69390 0.74430 0.46960 1.000 0.0320 c RU . .
H14A H Uiso 0.35880 0.51050 0.86150 1.000 0.0190 c RU . .
H14B H Uiso 0.38560 0.57710 0.87100 1.000 0.0190 c RU . .
H15D H Uiso 0.09160 0.60020 0.98340 0.622(8) 0.0420 c RUP A 2
H15E H Uiso 0.04900 0.64660 1.07290 0.622(8) 0.0420 c RUP A 2
H15F H Uiso 0.21140 0.65240 1.00220 0.622(8) 0.0420 c RUP A 2
H16C H Uiso -0.11140 0.66190 0.91780 0.622(8) 0.0290 c RUP A 2
H16D H Uiso 0.01090 0.71380 0.93480 0.622(8) 0.0290 c RUP A 2
H17C H Uiso -0.00450 0.73330 0.74260 0.622(8) 0.0400 c RUP A 2
H17D H Uiso -0.12370 0.68080 0.72470 0.622(8) 0.0400 c RUP A 2
H18D H Uiso 0.18510 0.69090 0.62820 0.622(8) 0.1040 c RUP A 2
H18E H Uiso 0.01620 0.70330 0.56710 0.622(8) 0.1040 c RUP A 2
H18F H Uiso 0.05830 0.64100 0.60670 0.622(8) 0.1040 c RUP A 2
H15A H Uiso 0.06400 0.61180 0.98140 0.378(8) 0.0370 c RUP A 1
H15B H Uiso 0.01340 0.66580 1.05080 0.378(8) 0.0370 c RUP A 1
H15C H Uiso 0.19070 0.66220 0.99750 0.378(8) 0.0370 c RUP A 1
H16A H Uiso -0.10170 0.66710 0.87220 0.378(8) 0.0330 c RUP A 1
H16B H Uiso 0.00840 0.72140 0.89700 0.378(8) 0.0330 c RUP A 1
H17A H Uiso 0.15880 0.71270 0.66740 0.378(8) 0.0530 c RUP A 1
H17B H Uiso -0.02130 0.72110 0.71450 0.378(8) 0.0530 c RUP A 1
H18A H Uiso 0.08870 0.62580 0.60150 0.378(8) 0.0660 c RUP A 1
H18B H Uiso -0.03700 0.67160 0.55590 0.378(8) 0.0660 c RUP A 1
H18C H Uiso -0.08900 0.63120 0.65370 0.378(8) 0.0660 c RUP A 1
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'
Au Au -2.0133 8.8022 ' 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'
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'
P P 0.1023 0.0942 ' 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
C4 Au1 C8 171.16(9) . 3_666 yes
F5 P1 F6 90.76(8) . . yes
F1 P1 F2 178.98(8) . . yes
F1 P1 F3 89.53(8) . . yes
F1 P1 F4 90.27(8) . . yes
F1 P1 F5 90.51(8) . . yes
F1 P1 F6 90.42(8) . . yes
F2 P1 F3 89.50(8) . . yes
F2 P1 F4 90.04(8) . . yes
F2 P1 F5 90.47(8) . . yes
F2 P1 F6 89.27(8) . . yes
F3 P1 F4 89.36(8) . . yes
F3 P1 F5 179.18(8) . . yes
F3 P1 F6 90.06(8) . . yes
F4 P1 F5 89.82(8) . . yes
F4 P1 F6 179.10(8) . . yes
C2 N1 C4 127.07(18) . . yes
C2 N1 C5 122.22(18) . . yes
C4 N1 C5 110.68(18) . . yes
C14 O1 H1 109.00 . . no
C4 N2 C7 123.54(18) . . yes
C6 N2 C7 125.28(18) . . yes
C4 N2 C6 111.17(18) . . yes
C7 N3 C8 123.46(17) . . yes
C8 N3 C9 110.54(17) . . yes
C7 N3 C9 125.75(17) . . yes
C8 N4 C10 110.85(18) . . yes
C10 N4 C11 124.86(19) . . yes
C8 N4 C11 124.29(18) . . yes
N1 C2 C1 111.12(19) . . yes
N1 C2 C3 110.92(18) . . yes
C1 C2 C3 112.26(19) . . no
Au1 C4 N1 128.31(16) . . yes
N1 C4 N2 104.55(18) . . yes
Au1 C4 N2 126.73(17) . . yes
N1 C5 C6 107.5(2) . . yes
N2 C6 C5 106.1(2) . . yes
N2 C7 C14 111.73(18) . . yes
N2 C7 N3 110.17(18) . . yes
N3 C7 C14 112.27(18) . . yes
Au1 C8 N3 130.98(16) 3_666 . yes
N3 C8 N4 105.01(18) . . yes
Au1 C8 N4 123.72(15) 3_666 . yes
N3 C9 C10 106.81(19) . . yes
N4 C10 C9 106.8(2) . . yes
C12 C11 C13 112.72(19) . . no
N4 C11 C12 110.36(19) . . yes
N4 C11 C13 110.02(19) . . yes
O1 C14 C7 108.74(19) . . yes
C2 C1 H1A 109.00 . . no
C2 C1 H1B 109.00 . . no
C2 C1 H1C 109.00 . . no
H1A C1 H1B 110.00 . . no
H1A C1 H1C 109.00 . . no
H1B C1 H1C 109.00 . . no
N1 C2 H2 107.00 . . no
C1 C2 H2 107.00 . . no
C3 C2 H2 107.00 . . no
C2 C3 H3A 109.00 . . no
C2 C3 H3B 109.00 . . no
C2 C3 H3C 109.00 . . no
H3A C3 H3B 109.00 . . no
H3A C3 H3C 109.00 . . no
H3B C3 H3C 110.00 . . no
N1 C5 H5 126.00 . . no
C6 C5 H5 126.00 . . no
N2 C6 H6 127.00 . . no
C5 C6 H6 127.00 . . no
C14 C7 H7 107.00 . . no
N2 C7 H7 107.00 . . no
N3 C7 H7 108.00 . . no
N3 C9 H9 127.00 . . no
C10 C9 H9 127.00 . . no
N4 C10 H10 127.00 . . no
C9 C10 H10 127.00 . . no
C13 C11 H11 108.00 . . no
N4 C11 H11 108.00 . . no
C12 C11 H11 108.00 . . no
C11 C12 H12B 109.00 . . no
C11 C12 H12A 109.00 . . no
C11 C12 H12C 109.00 . . no
H12A C12 H12B 110.00 . . no
H12A C12 H12C 109.00 . . no
H12B C12 H12C 109.00 . . no
C11 C13 H13A 110.00 . . no
C11 C13 H13B 109.00 . . no
C11 C13 H13C 109.00 . . no
H13A C13 H13B 110.00 . . no
H13A C13 H13C 109.00 . . no
H13B C13 H13C 109.00 . . no
O1 C14 H14A 110.00 . . no
O1 C14 H14B 110.00 . . no
C7 C14 H14A 110.00 . . no
C7 C14 H14B 110.00 . . no
H14A C14 H14B 108.00 . . no
C16A O2A C17A 113.7(5) . . yes
C16 O2 C17 112.9(9) . . yes
O2A C16A C15A 109.3(6) . . yes
O2A C17A C18A 111.1(5) . . yes
C16A C15A H15E 110.00 . . no
C16A C15A H15F 110.00 . . no
H15D C15A H15E 109.00 . . no
H15D C15A H15F 109.00 . . no
H15E C15A H15F 110.00 . . no
C16A C15A H15D 109.00 . . no
O2A C16A H16C 110.00 . . no
C15A C16A H16C 110.00 . . no
C15A C16A H16D 110.00 . . no
H16C C16A H16D 108.00 . . no
O2A C16A H16D 110.00 . . no
O2A C17A H17C 109.00 . . no
C18A C17A H17C 109.00 . . no
C18A C17A H17D 109.00 . . no
O2A C17A H17D 110.00 . . no
H17C C17A H17D 108.00 . . no
C17A C18A H18E 110.00 . . no
C17A C18A H18F 109.00 . . no
C17A C18A H18D 110.00 . . no
H18D C18A H18F 109.00 . . no
H18E C18A H18F 109.00 . . no
H18D C18A H18E 110.00 . . no
O2 C16 C15 109.2(10) . . yes
O2 C17 C18 111.2(8) . . yes
C16 C15 H15A 110.00 . . no
C16 C15 H15B 110.00 . . no
C16 C15 H15C 109.00 . . no
H15A C15 H15B 110.00 . . no
H15A C15 H15C 109.00 . . no
H15B C15 H15C 109.00 . . no
O2 C16 H16A 110.00 . . no
O2 C16 H16B 110.00 . . no
C15 C16 H16A 110.00 . . no
C15 C16 H16B 110.00 . . no
H16A C16 H16B 108.00 . . no
O2 C17 H17A 109.00 . . no
O2 C17 H17B 109.00 . . no
C18 C17 H17A 109.00 . . no
C18 C17 H17B 109.00 . . no
H17A C17 H17B 108.00 . . no
C17 C18 H18A 109.00 . . no
C17 C18 H18B 109.00 . . no
C17 C18 H18C 109.00 . . no
H18A C18 H18B 110.00 . . no
H18A C18 H18C 109.00 . . no
H18B C18 H18C 110.00 . . no
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 C4 2.020(2) . yes
Au1 C8 2.020(2) 3_666 yes
P1 F5 1.5981(15) . yes
P1 F6 1.6048(15) . yes
P1 F2 1.6061(15) . yes
P1 F3 1.6150(15) . yes
P1 F1 1.5943(15) . yes
P1 F4 1.6066(15) . yes
O1 C14 1.411(3) . yes
N1 C5 1.383(3) . yes
N1 C4 1.349(3) . yes
N1 C2 1.488(3) . yes
O1 H1 0.8400 . no
N2 C7 1.454(3) . yes
N2 C4 1.357(3) . yes
N2 C6 1.386(3) . yes
N3 C9 1.388(3) . yes
N3 C8 1.356(3) . yes
N3 C7 1.464(3) . yes
N4 C8 1.345(3) . yes
N4 C11 1.482(3) . yes
N4 C10 1.389(3) . yes
C1 C2 1.519(3) . no
C2 C3 1.519(3) . no
C5 C6 1.341(3) . no
C7 C14 1.530(3) . no
C9 C10 1.340(3) . no
C11 C13 1.521(3) . no
C11 C12 1.520(3) . no
C1 H1B 0.9800 . no
C1 H1A 0.9800 . no
C1 H1C 0.9800 . no
C2 H2 1.0000 . no
C3 H3B 0.9800 . no
C3 H3A 0.9800 . no
C3 H3C 0.9800 . no
C5 H5 0.9500 . no
C6 H6 0.9500 . no
C7 H7 1.0000 . no
C9 H9 0.9500 . no
C10 H10 0.9500 . no
C11 H11 1.0000 . no
C12 H12A 0.9800 . no
C12 H12B 0.9800 . no
C12 H12C 0.9800 . no
C13 H13A 0.9800 . no
C13 H13B 0.9800 . no
C13 H13C 0.9800 . no
C14 H14B 0.9900 . no
C14 H14A 0.9900 . no
O2A C16A 1.412(7) . yes
O2A C17A 1.431(7) . yes
O2 C17 1.439(12) . yes
O2 C16 1.413(13) . yes
C15A C16A 1.497(10) . no
C17A C18A 1.457(8) . no
C15A H15F 0.9800 . no
C15A H15D 0.9800 . no
C15A H15E 0.9800 . no
C16A H16D 0.9900 . no
C16A H16C 0.9900 . no
C17A H17D 0.9900 . no
C17A H17C 0.9900 . no
C18A H18F 0.9800 . no
C18A H18D 0.9800 . no
C18A H18E 0.9800 . no
C15 C16 1.496(16) . no
C17 C18 1.459(13) . no
C15 H15A 0.9800 . no
C15 H15B 0.9800 . no
C15 H15C 0.9800 . no
C16 H16A 0.9900 . no
C16 H16B 0.9900 . no
C17 H17A 0.9900 . no
C17 H17B 0.9900 . no
C18 H18A 0.9800 . no
C18 H18B 0.9800 . no
C18 H18C 0.9800 . no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O1 H1 O2A 0.8400 1.9400 2.761(7) 165.00 yes
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_4
_geom_torsion_publ_flag
C4 N1 C2 C1 -57.6(3) . no
C4 N1 C2 C3 68.1(3) . no
C5 N1 C2 C1 120.4(2) . no
C5 N1 C2 C3 -114.0(2) . no
C2 N1 C4 Au1 5.2(3) . no
C2 N1 C4 N2 178.11(19) . no
C5 N1 C4 Au1 -173.02(17) . no
C5 N1 C4 N2 -0.1(2) . no
C2 N1 C5 C6 -178.0(2) . no
C4 N1 C5 C6 0.3(3) . no
C6 N2 C4 Au1 172.97(16) . no
C6 N2 C4 N1 -0.1(2) . no
C7 N2 C4 Au1 -5.9(3) . no
C7 N2 C4 N1 -179.00(18) . no
C4 N2 C6 C5 0.3(3) . no
C7 N2 C6 C5 179.1(2) . no
C4 N2 C7 N3 -99.5(2) . no
C4 N2 C7 C14 135.0(2) . no
C6 N2 C7 N3 81.8(2) . no
C6 N2 C7 C14 -43.7(3) . no
C8 N3 C7 N2 102.1(2) . no
C8 N3 C7 C14 -132.7(2) . no
C9 N3 C7 N2 -71.6(3) . no
C9 N3 C7 C14 53.6(3) . no
C7 N3 C8 N4 -174.11(18) . no
C7 N3 C8 Au1 12.1(3) 3_666 no
C9 N3 C8 N4 0.4(2) . no
C9 N3 C8 Au1 -173.39(18) 3_666 no
C7 N3 C9 C10 174.3(2) . no
C8 N3 C9 C10 -0.1(3) . no
C10 N4 C8 N3 -0.6(2) . no
C10 N4 C8 Au1 173.78(17) 3_666 no
C11 N4 C8 N3 179.49(18) . no
C11 N4 C8 Au1 -6.2(3) 3_666 no
C8 N4 C10 C9 0.5(3) . no
C11 N4 C10 C9 -179.5(2) . no
C8 N4 C11 C12 113.1(2) . no
C8 N4 C11 C13 -121.9(2) . no
C10 N4 C11 C12 -66.9(3) . no
C10 N4 C11 C13 58.1(3) . no
N1 C5 C6 N2 -0.3(3) . no
N2 C7 C14 O1 -166.74(18) . no
N3 C7 C14 O1 68.9(2) . no
N3 C9 C10 N4 -0.3(3) . no
C17A O2A C16A C15A 179.5(6) . no
C16A O2A C17A C18A 179.1(6) . no
