#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:24:54 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179968 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/62/7026220.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_7026220
loop_
_publ_author_name
'Fortman, George C.'
'Poater, Albert'
'Levell, Jack W.'
'Gaillard, Sylvain'
'Slawin, Alexandra M. Z.'
'Samuel, Ifor D. W.'
'Cavallo, Luigi'
'Nolan, Steven P.'
_publ_section_title
;
 A versatile gold synthon for acetylene C-H bond activation.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10382
_journal_page_last               10390
_journal_paper_doi               10.1039/c0dt00276c
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C64 H76 Au2 N4,C4 H8 O'
_chemical_formula_sum            'C68 H84 Au2 N4 O'
_chemical_formula_weight         1367.32
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_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                 112.490(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.969(7)
_cell_length_b                   14.209(4)
_cell_length_c                   23.049(11)
_cell_measurement_reflns_used    11089
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      28.7
_cell_measurement_theta_min      2.9
_cell_volume                     6345(4)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2004)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2004)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2004)'
_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      93(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0527
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            19195
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    4.661
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.380
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2744
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         4.029
_refine_diff_density_min         -1.892
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         5687
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0408P)²+20.7783P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0943
_refine_ls_wR_factor_ref         0.1006
_reflns_number_gt                4959
_reflns_number_total             5687
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00276c.txt
_cod_data_source_block           3n
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      I2/a
_cod_database_code               7026220
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
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 0.070690(9) 0.242380(12) 0.473133(8) 0.01870(10) Uani 1 1 d .
C1 C 0.1638(3) 0.2468(3) 0.6183(3) 0.0193(12) Uani 1 1 d .
C2 C 0.1277(3) 0.2439(3) 0.5630(3) 0.0233(13) Uani 1 1 d .
C3 C 0.0159(3) 0.2439(3) 0.3803(3) 0.0200(12) Uani 1 1 d .
N4 N 0.0001(2) 0.1705(3) 0.33911(18) 0.0193(8) Uani 1 1 d .
C5 C -0.0308(3) 0.2009(4) 0.2775(2) 0.0261(11) Uani 1 1 d .
H5A H -0.0455 0.1628 0.2409 0.031 Uiso 1 1 calc R
C6 C -0.0359(3) 0.2957(4) 0.2798(2) 0.0250(11) Uani 1 1 d .
H6A H -0.0552 0.3371 0.2451 0.030 Uiso 1 1 calc R
N7 N -0.0078(2) 0.3203(3) 0.34244(18) 0.0198(8) Uani 1 1 d .
C8 C 0.0124(3) 0.0726(3) 0.3570(2) 0.0224(10) Uani 1 1 d .
C9 C 0.0722(3) 0.0295(3) 0.3568(2) 0.0253(11) Uani 1 1 d .
C10 C 0.0808(3) -0.0663(3) 0.3707(2) 0.0305(12) Uani 1 1 d .
H10A H 0.1209 -0.0976 0.3709 0.037 Uiso 1 1 calc R
C11 C 0.0317(3) -0.1162(4) 0.3842(2) 0.0329(12) Uani 1 1 d .
H11A H 0.0379 -0.1817 0.3925 0.040 Uiso 1 1 calc R
C12 C -0.0265(3) -0.0722(4) 0.3857(2) 0.0322(13) Uani 1 1 d .
H12A H -0.0594 -0.1076 0.3957 0.039 Uiso 1 1 calc R
C13 C -0.0374(3) 0.0241(4) 0.3727(2) 0.0249(11) Uani 1 1 d .
C14 C 0.1287(3) 0.0834(4) 0.3446(2) 0.0281(12) Uani 1 1 d .
H14A H 0.1120 0.1492 0.3328 0.034 Uiso 1 1 calc R
C15 C 0.1943(3) 0.0880(5) 0.4046(3) 0.0442(15) Uani 1 1 d .
H15A H 0.1834 0.1161 0.4385 0.066 Uiso 1 1 calc R
H15B H 0.2290 0.1266 0.3969 0.066 Uiso 1 1 calc R
H15C H 0.2125 0.0244 0.4167 0.066 Uiso 1 1 calc R
C16 C 0.1428(3) 0.0405(4) 0.2896(3) 0.0405(14) Uani 1 1 d .
H16A H 0.0999 0.0391 0.2522 0.061 Uiso 1 1 calc R
H16B H 0.1603 -0.0237 0.3004 0.061 Uiso 1 1 calc R
H16C H 0.1772 0.0787 0.2812 0.061 Uiso 1 1 calc R
C17 C -0.0990(3) 0.0737(4) 0.3785(2) 0.0317(12) Uani 1 1 d .
H17A H -0.0986 0.1406 0.3653 0.038 Uiso 1 1 calc R
C18 C -0.0917(4) 0.0735(6) 0.4467(3) 0.068(2) Uani 1 1 d .
H18A H -0.0477 0.1026 0.4728 0.102 Uiso 1 1 calc R
H18B H -0.0929 0.0086 0.4605 0.102 Uiso 1 1 calc R
H18C H -0.1298 0.1092 0.4507 0.102 Uiso 1 1 calc R
C19 C -0.1668(3) 0.0307(5) 0.3369(3) 0.0578(19) Uani 1 1 d .
H19A H -0.1708 0.0325 0.2932 0.087 Uiso 1 1 calc R
H19B H -0.2048 0.0663 0.3410 0.087 Uiso 1 1 calc R
H19C H -0.1688 -0.0348 0.3495 0.087 Uiso 1 1 calc R
C20 C -0.0049(3) 0.4159(3) 0.3656(2) 0.0244(11) Uani 1 1 d .
C21 C -0.0617(3) 0.4502(4) 0.3768(2) 0.0328(13) Uani 1 1 d .
C22 C -0.0588(3) 0.5430(4) 0.3970(3) 0.0440(16) Uani 1 1 d .
H22A H -0.0964 0.5688 0.4050 0.053 Uiso 1 1 calc R
C23 C -0.0021(4) 0.5974(4) 0.4053(3) 0.0456(16) Uani 1 1 d .
H23A H -0.0012 0.6607 0.4188 0.055 Uiso 1 1 calc R
C24 C 0.0536(3) 0.5625(4) 0.3947(3) 0.0424(15) Uani 1 1 d .
H24A H 0.0924 0.6019 0.4011 0.051 Uiso 1 1 calc R
C25 C 0.0539(3) 0.4692(3) 0.3743(2) 0.0287(12) Uani 1 1 d .
C26 C -0.1234(3) 0.3881(4) 0.3693(3) 0.0412(14) Uani 1 1 d .
H26A H -0.1245 0.3362 0.3396 0.049 Uiso 1 1 calc R
C27 C -0.1154(4) 0.3435(5) 0.4308(3) 0.062(2) Uani 1 1 d .
H27A H -0.0713 0.3098 0.4480 0.093 Uiso 1 1 calc R
H27B H -0.1533 0.2991 0.4242 0.093 Uiso 1 1 calc R
H27C H -0.1164 0.3924 0.4605 0.093 Uiso 1 1 calc R
C28 C -0.1919(4) 0.4408(6) 0.3412(3) 0.064(2) Uani 1 1 d .
H28A H -0.2299 0.3979 0.3372 0.097 Uiso 1 1 calc R
H28B H -0.1978 0.4650 0.2996 0.097 Uiso 1 1 calc R
H28C H -0.1919 0.4935 0.3686 0.097 Uiso 1 1 calc R
C29 C 0.1160(3) 0.4301(4) 0.3637(2) 0.0296(12) Uani 1 1 d .
H29A H 0.1055 0.3632 0.3500 0.035 Uiso 1 1 calc R
C30 C 0.1275(3) 0.4833(4) 0.3108(3) 0.0387(14) Uani 1 1 d .
H30A H 0.0853 0.4810 0.2727 0.058 Uiso 1 1 calc R
H30B H 0.1654 0.4539 0.3024 0.058 Uiso 1 1 calc R
H30C H 0.1392 0.5490 0.3233 0.058 Uiso 1 1 calc R
C31 C 0.1803(3) 0.4301(5) 0.4239(3) 0.0420(14) Uani 1 1 d .
H31A H 0.1711 0.3951 0.4565 0.063 Uiso 1 1 calc R
H31B H 0.1929 0.4951 0.4378 0.063 Uiso 1 1 calc R
H31C H 0.2184 0.4002 0.4160 0.063 Uiso 1 1 calc R
C32 C 0.2081(3) 0.2485(3) 0.6860(3) 0.0188(11) Uani 1 1 d .
C33 C 0.1810(3) 0.2269(4) 0.7312(2) 0.0279(12) Uani 1 1 d .
H33A H 0.1336 0.2108 0.7185 0.034 Uiso 1 1 calc R
C34 C 0.2771(3) 0.2713(4) 0.7059(2) 0.0256(11) Uani 1 1 d .
H34A H 0.2961 0.2860 0.6756 0.031 Uiso 1 1 calc R
O41 O 0.2855(10) 0.7645(7) 0.5405(8) 0.163(9) Uiso 0.50 1 d PD
C42 C 0.2500 0.8419(11) 0.5000 0.104(5) Uiso 1 2 d SD
C43 C 0.2381(6) 0.8257(8) 0.4323(2) 0.047(3) Uiso 0.50 1 d PD
C44 C 0.2120(7) 0.7286(9) 0.4361(4) 0.068(5) Uiso 0.50 1 d PD
C45 C 0.2500 0.6872(11) 0.5000 0.126(6) Uiso 1 2 d SD
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'
O O 0.0106 0.0060 '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
C2 Au1 C3 177.25(19) . .
C2 C1 C32 179.0(5) . .
C1 C2 Au1 178.4(5) . .
N7 C3 N4 103.4(5) . .
N7 C3 Au1 127.8(3) . .
N4 C3 Au1 128.5(4) . .
C3 N4 C5 111.6(4) . .
C3 N4 C8 124.7(4) . .
C5 N4 C8 123.7(4) . .
C6 C5 N4 106.4(4) . .
C6 C5 H5A 126.8 . .
N4 C5 H5A 126.8 . .
C5 C6 N7 106.5(4) . .
C5 C6 H6A 126.7 . .
N7 C6 H6A 126.7 . .
C3 N7 C6 111.9(4) . .
C3 N7 C20 123.8(4) . .
C6 N7 C20 124.3(4) . .
C9 C8 C13 122.8(5) . .
C9 C8 N4 118.9(4) . .
C13 C8 N4 118.3(4) . .
C10 C9 C8 117.7(5) . .
C10 C9 C14 119.4(5) . .
C8 C9 C14 122.9(4) . .
C11 C10 C9 120.7(5) . .
C11 C10 H10A 119.6 . .
C9 C10 H10A 119.6 . .
C10 C11 C12 121.0(5) . .
C10 C11 H11A 119.5 . .
C12 C11 H11A 119.5 . .
C11 C12 C13 120.6(5) . .
C11 C12 H12A 119.7 . .
C13 C12 H12A 119.7 . .
C12 C13 C8 117.1(5) . .
C12 C13 C17 120.5(5) . .
C8 C13 C17 122.3(5) . .
C9 C14 C16 111.3(4) . .
C9 C14 C15 110.3(4) . .
C16 C14 C15 111.8(5) . .
C9 C14 H14A 107.7 . .
C16 C14 H14A 107.7 . .
C15 C14 H14A 107.7 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C19 C17 C13 112.4(5) . .
C19 C17 C18 110.8(5) . .
C13 C17 C18 109.7(5) . .
C19 C17 H17A 107.9 . .
C13 C17 H17A 107.9 . .
C18 C17 H17A 107.9 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C25 C20 C21 123.5(5) . .
C25 C20 N7 118.1(4) . .
C21 C20 N7 118.4(5) . .
C22 C21 C20 117.4(5) . .
C22 C21 C26 121.0(5) . .
C20 C21 C26 121.6(5) . .
C23 C22 C21 120.4(5) . .
C23 C22 H22A 119.8 . .
C21 C22 H22A 119.8 . .
C22 C23 C24 121.6(6) . .
C22 C23 H23A 119.2 . .
C24 C23 H23A 119.2 . .
C23 C24 C25 120.8(6) . .
C23 C24 H24A 119.6 . .
C25 C24 H24A 119.6 . .
C20 C25 C24 116.3(5) . .
C20 C25 C29 122.9(4) . .
C24 C25 C29 120.8(5) . .
C27 C26 C21 110.8(5) . .
C27 C26 C28 110.8(5) . .
C21 C26 C28 112.6(5) . .
C27 C26 H26A 107.5 . .
C21 C26 H26A 107.5 . .
C28 C26 H26A 107.5 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C25 C29 C31 111.7(4) . .
C25 C29 C30 110.7(4) . .
C31 C29 C30 111.8(5) . .
C25 C29 H29A 107.5 . .
C31 C29 H29A 107.5 . .
C30 C29 H29A 107.5 . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C29 C31 H31A 109.5 . .
C29 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C29 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C34 C32 C33 118.6(5) . .
C34 C32 C1 120.6(5) . .
C33 C32 C1 120.8(5) . .
C34 C33 C32 120.2(5) 7_556 .
C34 C33 H33A 119.9 7_556 .
C32 C33 H33A 119.9 . .
C33 C34 C32 121.2(5) 7_556 .
C33 C34 H34A 119.4 7_556 .
C32 C34 H34A 119.4 . .
C45 O41 C42 98.5(15) . .
O41 C42 C43 113.2(13) 2_556 2_556
O41 C42 C43 113.2(13) . .
C44 C43 C42 90.0(9) . .
C43 C44 C45 110.4(10) . .
O41 C45 C44 106.5(14) 2_556 2_556
O41 C45 C44 106.5(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C2 1.957(6) .
Au1 C3 2.005(6) .
C1 C2 1.207(9) .
C1 C32 1.481(8) .
C3 N7 1.361(6) .
C3 N4 1.363(6) .
N4 C5 1.385(6) .
N4 C8 1.446(6) .
C5 C6 1.354(8) .
C5 H5A 0.9500 .
C6 N7 1.379(6) .
C6 H6A 0.9500 .
N7 C20 1.452(6) .
C8 C9 1.396(7) .
C8 C13 1.409(7) .
C9 C10 1.394(7) .
C9 C14 1.524(7) .
C10 C11 1.380(7) .
C10 H10A 0.9500 .
C11 C12 1.384(8) .
C11 H11A 0.9500 .
C12 C13 1.400(7) .
C12 H12A 0.9500 .
C13 C17 1.522(7) .
C14 C16 1.533(7) .
C14 C15 1.535(8) .
C14 H14A 1.0000 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C19 1.506(8) .
C17 C18 1.518(8) .
C17 H17A 1.0000 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 C25 1.396(7) .
C20 C21 1.400(7) .
C21 C22 1.392(8) .
C21 C26 1.520(8) .
C22 C23 1.368(9) .
C22 H22A 0.9500 .
C23 C24 1.375(8) .
C23 H23A 0.9500 .
C24 C25 1.408(7) .
C24 H24A 0.9500 .
C25 C29 1.517(7) .
C26 C27 1.504(8) .
C26 C28 1.527(8) .
C26 H26A 1.0000 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C31 1.520(7) .
C29 C30 1.531(7) .
C29 H29A 1.0000 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 C34 1.379(8) .
C32 C33 1.397(7) .
C33 C34 1.379(8) 7_556
C33 H33A 0.9500 .
C34 C33 1.379(8) 7_556
C34 H34A 0.9500 .
O41 C45 1.4499(11) .
O41 C42 1.4503(11) .
C42 O41 1.4502(11) 2_556
C42 C43 1.5011(12) 2_556
C42 C43 1.5012(12) .
C43 C44 1.4998(11) .
C44 C45 1.5007(12) .
C45 O41 1.4499(11) 2_556
C45 C44 1.5007(12) 2_556
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
N7 C3 N4 C5 1.6(6) . .
Au1 C3 N4 C5 -172.0(4) . .
N7 C3 N4 C8 -177.2(4) . .
Au1 C3 N4 C8 9.3(7) . .
C3 N4 C5 C6 -1.3(5) . .
C8 N4 C5 C6 177.5(4) . .
N4 C5 C6 N7 0.4(5) . .
N4 C3 N7 C6 -1.3(6) . .
Au1 C3 N7 C6 172.3(4) . .
N4 C3 N7 C20 177.4(4) . .
Au1 C3 N7 C20 -9.0(7) . .
C5 C6 N7 C3 0.6(5) . .
C5 C6 N7 C20 -178.1(4) . .
C3 N4 C8 C9 -96.6(6) . .
C5 N4 C8 C9 84.8(6) . .
C3 N4 C8 C13 84.7(6) . .
C5 N4 C8 C13 -93.9(5) . .
C13 C8 C9 C10 2.3(7) . .
N4 C8 C9 C10 -176.3(4) . .
C13 C8 C9 C14 -175.4(5) . .
N4 C8 C9 C14 5.9(7) . .
C8 C9 C10 C11 -0.1(7) . .
C14 C9 C10 C11 177.7(5) . .
C9 C10 C11 C12 -1.5(8) . .
C10 C11 C12 C13 0.9(8) . .
C11 C12 C13 C8 1.2(7) . .
C11 C12 C13 C17 -176.0(5) . .
C9 C8 C13 C12 -2.9(7) . .
N4 C8 C13 C12 175.8(4) . .
C9 C8 C13 C17 174.3(4) . .
N4 C8 C13 C17 -7.1(7) . .
C10 C9 C14 C16 58.4(6) . .
C8 C9 C14 C16 -123.9(5) . .
C10 C9 C14 C15 -66.3(6) . .
C8 C9 C14 C15 111.4(5) . .
C12 C13 C17 C19 -58.5(7) . .
C8 C13 C17 C19 124.5(6) . .
C12 C13 C17 C18 65.4(7) . .
C8 C13 C17 C18 -111.7(6) . .
C3 N7 C20 C25 89.5(6) . .
C6 N7 C20 C25 -91.9(6) . .
C3 N7 C20 C21 -91.8(6) . .
C6 N7 C20 C21 86.8(6) . .
C25 C20 C21 C22 0.7(8) . .
N7 C20 C21 C22 -177.9(4) . .
C25 C20 C21 C26 -177.4(5) . .
N7 C20 C21 C26 4.0(7) . .
C20 C21 C22 C23 0.0(8) . .
C26 C21 C22 C23 178.1(5) . .
C21 C22 C23 C24 -0.5(9) . .
C22 C23 C24 C25 0.4(10) . .
C21 C20 C25 C24 -0.8(8) . .
N7 C20 C25 C24 177.8(5) . .
C21 C20 C25 C29 178.2(5) . .
N7 C20 C25 C29 -3.1(7) . .
C23 C24 C25 C20 0.3(8) . .
C23 C24 C25 C29 -178.8(5) . .
C22 C21 C26 C27 -84.8(7) . .
C20 C21 C26 C27 93.2(6) . .
C22 C21 C26 C28 39.9(8) . .
C20 C21 C26 C28 -142.0(5) . .
C20 C25 C29 C31 -117.3(6) . .
C24 C25 C29 C31 61.8(7) . .
C20 C25 C29 C30 117.4(5) . .
C24 C25 C29 C30 -63.5(7) . .
C34 C32 C33 C34 0.2(8) . 7_556
C1 C32 C33 C34 180.0(4) . 7_556
C33 C32 C34 C33 -0.2(8) . 7_556
C1 C32 C34 C33 -180.0(4) . 7_556
C44 O41 C42 O41 -84(3) 2_556 2_556
C45 O41 C42 O41 0.003(5) . 2_556
C43 O41 C42 O41 -129.1(17) 2_556 2_556
C44 O41 C42 C43 45(3) 2_556 2_556
C45 O41 C42 C43 129.1(17) . 2_556
C44 O41 C42 C43 -125(3) 2_556 .
C45 O41 C42 C43 -41.2(15) . .
C43 O41 C42 C43 -170.3(7) 2_556 .
O41 C42 C43 C44 -9.5(11) 2_556 .
O41 C42 C43 C44 47.1(13) . .
C43 C42 C43 C44 21.3(7) 2_556 .
O41 C42 C43 O41 57(2) . 2_556
C43 C42 C43 O41 30.8(10) 2_556 2_556
C42 C43 C44 O41 17.4(17) . 2_556
C42 C43 C44 C45 -34.2(13) . .
O41 C43 C44 C45 -51.6(13) 2_556 .
C44 O41 C45 O41 151(3) 2_556 2_556
C42 O41 C45 O41 -0.003(6) . 2_556
C43 O41 C45 O41 66.5(11) 2_556 2_556
C42 O41 C45 C44 -151(3) . 2_556
C43 O41 C45 C44 -85(3) 2_556 2_556
C44 O41 C45 C44 165.2(15) 2_556 .
C42 O41 C45 C44 13.9(16) . .
C43 O41 C45 C44 80.4(17) 2_556 .
O41 C44 C45 O41 -30(3) 2_556 .
C43 C44 C45 O41 14.8(17) . .
C43 C44 C45 O41 44.6(19) . 2_556
O41 C44 C45 C44 -20(2) 2_556 2_556
C43 C44 C45 C44 24.6(9) . 2_556
