#------------------------------------------------------------------------------
#$Date: 2022-05-05 23:32:23 +0300 (Thu, 05 May 2022) $
#$Revision: 274974 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/44/7244444.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_7244444
loop_
_publ_author_name
'Priola, Emanuele'
'Curetti, Nadia'
'Marabello, Domenica'
'Andreo, Jacopo'
'Giordana, Alessia'
'Andreo, Luca'
'Benna, Piera'
'Freire, Paulo Tarso Cavalcante'
'Benzi, Paola'
'Operti, Lorenza'
'Diana, Eliano'
_publ_section_title
;
 Crystal engineering of aurophilic supramolecular architectures and
 coordination polymers based on butterfly-like copper--dicyanoaurate
 complexes: vapochromism, P--T behaviour and multi-metallic cocrystal
 formation
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              2336
_journal_page_last               2348
_journal_paper_doi               10.1039/D1CE00964H
_journal_volume                  24
_journal_year                    2022
_chemical_formula_moiety         'C22 H16 Au Cu N6, C2 Au N2'
_chemical_formula_sum            'C24 H16 Au2 Cu N8'
_chemical_formula_weight         873.92
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2019-10-16
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-02-08 deposited with the CCDC.	2022-02-17 downloaded from the CCDC.
;
_cell_angle_alpha                98.799(3)
_cell_angle_beta                 106.251(3)
_cell_angle_gamma                101.677(3)
_cell_formula_units_Z            2
_cell_length_a                   9.9689(3)
_cell_length_b                   11.1085(4)
_cell_length_c                   12.3564(4)
_cell_measurement_reflns_used    12103
_cell_measurement_temperature    343(5)
_cell_measurement_theta_max      43.7790
_cell_measurement_theta_min      3.8440
_cell_volume                     1254.10(8)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      343(5)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.1990
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -22.00  24.00   1.00   10.00    --    0.31 -57.00-180.00   46
  2  ω    -32.00  -4.00   1.00   10.00    --  -47.46  70.00 114.59   28
  3  ω    -52.00 -20.00   1.00   10.00    --  -47.46 -57.00 -90.00   32
  4  ω    -12.00  14.00   1.00   10.00    --  -47.46  69.00 136.18   26
  5  ω    -78.00   9.00   1.00   10.00    --  -47.46  70.00  63.50   87
  6  ω    -76.00 -26.00   1.00   10.00    --  -47.46  70.00  13.36   50
  7  ω   -117.00 -77.00   1.00   10.00    --  -47.46 -64.00 130.05   40
  8  ω    -74.00 -36.00   1.00   10.00    --  -47.46  70.00 -27.32   38
  9  ω     -2.00  24.00   1.00   10.00    --  -47.46  70.00 -27.32   26
 10  ω    -76.00 -25.00   1.00   10.00    --  -47.46  69.00 172.97   51
 11  ω   -119.00 -80.00   1.00   10.00    --  -47.46 -59.00-178.28   39
 12  ω    -77.00 -20.00   1.00   10.00    --  -47.46 -59.00-178.28   57
 13  ω   -121.00 -96.00   1.00   10.00    --  -47.46 -28.00 167.41   25
 14  ω    -80.00 -31.00   1.00   10.00    --  -47.46 -28.00 167.41   49
 15  ω    -74.00 -29.00   1.00   10.00    --  -47.46  69.00 136.18   45
 16  ω    -14.00  12.00   1.00   10.00    --  -47.46  70.00  13.36   26
 17  ω    -82.00 -56.00   1.00   10.00    --  -47.46 -61.00 -48.66   26
 18  ω    -44.00 -18.00   1.00   10.00    --  -47.46 -61.00 -48.66   26
 19  ω    -95.00 -69.00   1.00   10.00    --  -47.46 -57.00  30.00   26
 20  ω    -46.00 -19.00   1.00   10.00    --  -47.46 -57.00  30.00   27
 21  ω    -77.00 -18.00   1.00   10.00    --  -47.46 -63.00  -5.44   59
 22  ω   -113.00 -87.00   1.00   10.00    --  -47.46 -65.00 122.00   26
 23  ω    -63.00 -21.00   1.00   10.00    --  -47.46 -65.00 122.00   42
 24  ω   -111.00 -71.00   1.00   10.00    --  -47.46 -38.00  57.16   40
 25  ω    -67.00 -23.00   1.00   10.00    --  -47.46 -38.00  57.16   44
 26  ω   -105.00 -79.00   1.00   10.00    --  -47.46 -57.00 150.00   26
 27  ω    -44.00 -19.00   1.00   10.00    --  -47.46 -57.00 150.00   25
 28  ω    -75.00 -26.00   1.00   10.00    --  -47.46  54.00-127.68   49
 29  ω     -5.00  22.00   1.00   10.00    --  -47.46  54.00-127.68   27
 30  ω   -110.00 -70.00   1.00   10.00    --  -47.46 -57.00 -90.00   40
 31  ω    -78.00 -53.00   1.00   10.00    --  -47.46  70.00 114.59   25
 32  ω    -60.00 -18.00   1.00   10.00    --  -47.46 -62.00-129.09   42
 33  ω    -51.00 -18.00   1.00   10.00    --  -47.46 -64.00 130.05   33
 34  ω    -72.00 -38.00   1.00   10.00    --  -47.46  37.00-150.00   34
 35  ω    -31.00  27.00   1.00   10.00    --  -47.46  37.00-150.00   58
 36  ω   -114.00 -28.00   1.00   10.00    --  -47.46 -37.00 -60.00   86
 37  ω   -120.00 -90.00   1.00   10.00    --  -47.46 -57.00  60.00   30
 38  ω    -72.00 -23.00   1.00   10.00    --  -47.46 -57.00  60.00   49
 39  ω    -86.00 -18.00   1.00   10.00    --  -47.46  19.00 120.00   68
 40  ω    -14.00  33.00   1.00   10.00    --  -47.46  19.00 120.00   47
 41  ω    -47.00 -21.00   1.00   10.00    --  -47.46 -19.00 -60.00   26
 42  ω    -69.00 -43.00   1.00   10.00    --  -47.46  57.00 -30.00   26
 43  ω    -37.00  15.00   1.00   10.00    --  -47.46  57.00 -30.00   52
 44  ω    -75.00 -41.00   1.00   10.00    --  -47.46  68.00-103.85   34
 45  ω    -20.00  24.00   1.00   10.00    --  -47.46  68.00-103.85   44
 46  ω    -56.00 -29.00   1.00   10.00    --  -47.46  37.00 -30.00   27
 47  ω    -17.00  14.00   1.00   10.00    --  -47.46  37.00 -30.00   31
 48  ω    -77.00 -44.00   1.00   10.00    --  -47.46  70.00-142.72   33
 49  ω    -11.00  23.00   1.00   10.00    --  -47.46  70.00-142.72   34
 50  ω   -116.00 -91.00   1.00   10.00    --  -47.46 -19.00-180.00   25
 51  ω    -40.00 -14.00   1.00   10.00    --  -47.46 -19.00-180.00   26
 52  ω   -122.00 -71.00   1.00   10.00    --  -47.46 -19.00 -60.00   51
 53  ω     43.00  79.00   1.00   10.00    --   48.09 -70.00 138.35   36
 54  ω     37.00  79.00   1.00   10.00    --   48.09 -70.00-171.31   42
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, AtlasS2, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0439724000
_diffrn_orient_matrix_UB_12      0.0109742000
_diffrn_orient_matrix_UB_13      -0.0516443000
_diffrn_orient_matrix_UB_21      0.0447538000
_diffrn_orient_matrix_UB_22      -0.0212167000
_diffrn_orient_matrix_UB_23      -0.0302370000
_diffrn_orient_matrix_UB_31      -0.0441513000
_diffrn_orient_matrix_UB_32      -0.0624738000
_diffrn_orient_matrix_UB_33      -0.0134432000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0768
_diffrn_reflns_av_unetI/netI     0.0378
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            69157
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_min         3.505
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    12.538
_exptl_absorpt_correction_T_max  0.02616
_exptl_absorpt_correction_T_min  0.01315
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    2.314
_exptl_crystal_description       prism
_exptl_crystal_F_000             806
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.29
_refine_diff_density_max         1.103
_refine_diff_density_min         -0.816
_refine_diff_density_rms         0.116
_refine_ls_extinction_coef       0.00259(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         7640
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0364
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0248P)²+0.7268P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0654
_refine_ls_wR_factor_ref         0.0733
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5505
_reflns_number_total             7640
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce00964h2.cif
_cod_data_source_block           jacopo243
_cod_depositor_comments
'Adding full bibliography for 7244437--7244451.cif.'
_cod_original_cell_volume        1254.11(8)
_cod_database_code               7244444
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C11 H10 N O'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.143
_shelx_estimated_absorpt_t_min   0.106
_reflns_odcompleteness_completeness 99.84
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.44
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C15(H15), C21(H21), C24(H24), C18(H18), C14(H14), C22(H22), C6(H6), C16(H16),
 C8(H8), C11(H11), C17(H17), C12(H12), C7(H7), C23(H23), C13(H13), C5(H5)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.019
_oxdiff_exptl_absorpt_empirical_full_min 0.702
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.000000 0.500000 0.500000 0.05818(9) Uani 1 2 d S T P . .
Au3 Au 0.000000 1.000000 0.000000 0.06506(10) Uani 1 2 d S T P . .
Cu1 Cu 0.24541(6) 0.77418(5) 0.18406(5) 0.04355(14) Uani 1 1 d . . . . .
N7 N 0.2458(4) 0.7591(3) 0.0188(3) 0.0459(9) Uani 1 1 d . . . . .
N8 N 0.0392(4) 0.6891(4) 0.1029(3) 0.0471(9) Uani 1 1 d . . . . .
N6 N 0.4526(4) 0.8655(4) 0.2614(3) 0.0496(9) Uani 1 1 d . . . . .
N1 N 0.2651(4) 0.6578(4) 0.2956(4) 0.0545(10) Uani 1 1 d . . . . .
C1 C 0.2910(5) 0.6134(4) 0.3730(4) 0.0487(11) Uani 1 1 d . . . . .
C19 C 0.1145(5) 0.7072(4) -0.0615(4) 0.0472(11) Uani 1 1 d . . . . .
C20 C -0.0024(5) 0.6682(4) -0.0131(4) 0.0462(11) Uani 1 1 d . . . . .
N5 N 0.2252(4) 0.9437(4) 0.2740(3) 0.0472(9) Uani 1 1 d . . . . .
C10 C 0.4800(6) 0.9826(5) 0.3250(4) 0.0547(13) Uani 1 1 d . . . . .
C15 C 0.3594(6) 0.7958(5) -0.0178(5) 0.0629(14) Uani 1 1 d . . . . .
H15 H 0.450059 0.833304 0.036621 0.075 Uiso 1 1 calc R . . . .
C9 C 0.3526(6) 1.0290(4) 0.3252(4) 0.0538(12) Uani 1 1 d . . . . .
C21 C -0.1474(6) 0.6142(5) -0.0783(5) 0.0668(16) Uani 1 1 d . . . . .
H21 H -0.176927 0.601294 -0.158484 0.080 Uiso 1 1 calc R . . . .
C24 C -0.0575(6) 0.6548(5) 0.1543(5) 0.0592(13) Uani 1 1 d . . . . .
H24 H -0.027646 0.668357 0.234489 0.071 Uiso 1 1 calc R . . . .
C18 C 0.0972(7) 0.6887(6) -0.1783(5) 0.0735(17) Uani 1 1 d . . . . .
H18 H 0.006536 0.651437 -0.232816 0.088 Uiso 1 1 calc R . . . .
C14 C 0.5607(6) 0.8132(6) 0.2619(5) 0.0669(15) Uani 1 1 d . . . . .
H14 H 0.540699 0.732201 0.217609 0.080 Uiso 1 1 calc R . . . .
C22 C -0.2451(6) 0.5808(5) -0.0234(6) 0.0747(18) Uani 1 1 d . . . . .
H22 H -0.342075 0.544966 -0.065849 0.090 Uiso 1 1 calc R . . . .
C6 C 0.1051(8) 1.0962(6) 0.3261(6) 0.0824(19) Uani 1 1 d . . . . .
H6 H 0.019026 1.116346 0.326079 0.099 Uiso 1 1 calc R . . . .
C16 C 0.3454(8) 0.7797(7) -0.1328(6) 0.0820(19) Uani 1 1 d . . . . .
H16 H 0.425769 0.805844 -0.155767 0.098 Uiso 1 1 calc R . . . .
C8 C 0.3587(8) 1.1512(6) 0.3768(6) 0.088(2) Uani 1 1 d . . . . .
H8 H 0.447274 1.210656 0.411307 0.106 Uiso 1 1 calc R . . . .
C11 C 0.6215(7) 1.0473(6) 0.3898(5) 0.0762(18) Uani 1 1 d . . . . .
H11 H 0.641260 1.128483 0.433776 0.091 Uiso 1 1 calc R . . . .
C17 C 0.2147(9) 0.7257(7) -0.2125(5) 0.089(2) Uani 1 1 d . . . . .
H17 H 0.204647 0.713679 -0.290852 0.107 Uiso 1 1 calc R . . . .
C12 C 0.7308(7) 0.9923(8) 0.3890(6) 0.086(2) Uani 1 1 d . . . . .
H12 H 0.825670 1.035759 0.431964 0.104 Uiso 1 1 calc R . . . .
C7 C 0.2334(10) 1.1829(6) 0.3761(7) 0.100(2) Uani 1 1 d . . . . .
H7 H 0.236339 1.264473 0.410153 0.120 Uiso 1 1 calc R . . . .
N3 N 0.0031(6) 0.2343(6) 0.5493(5) 0.0797(15) Uani 1 1 d . . . . .
C3 C 0.0028(6) 0.3306(6) 0.5308(5) 0.0611(14) Uani 1 1 d . . . . .
N4 N 0.2978(10) 1.0947(9) -0.0287(11) 0.179(5) Uani 1 1 d . . . . .
Au2 Au 0.34237(2) 0.55070(2) 0.51744(2) 0.04968(7) Uani 1 1 d . . . . .
N2 N 0.4352(6) 0.4826(5) 0.7569(5) 0.0781(14) Uani 1 1 d . . . . .
C2 C 0.4018(6) 0.5039(5) 0.6686(5) 0.0586(13) Uani 1 1 d . . . . .
C4 C 0.1917(8) 1.0601(7) -0.0139(7) 0.093(2) Uani 1 1 d . . . . .
C23 C -0.2008(6) 0.5996(5) 0.0931(6) 0.0698(16) Uani 1 1 d . . . . .
H23 H -0.266500 0.575602 0.131326 0.084 Uiso 1 1 calc R . . . .
C13 C 0.7019(6) 0.8748(8) 0.3259(6) 0.085(2) Uani 1 1 d . . . . .
H13 H 0.776006 0.835749 0.325464 0.102 Uiso 1 1 calc R . . . .
C5 C 0.1053(6) 0.9780(5) 0.2756(5) 0.0602(13) Uani 1 1 d . . . . .
H5 H 0.016958 0.918424 0.240342 0.072 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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
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
C3 Au1 C3 180.0(3) . 2_566 ?
C3 Au1 Au2 90.68(15) 2_566 . ?
C3 Au1 Au2 89.32(15) . . ?
C3 Au1 Au2 89.32(15) 2_566 2_566 ?
C3 Au1 Au2 90.68(15) . 2_566 ?
Au2 Au1 Au2 180.0 2_566 . ?
C4 Au3 C4 180.0 2_575 . ?
N7 Cu1 N1 133.95(16) . . ?
N7 Cu1 N5 119.34(15) . . ?
N8 Cu1 N7 80.86(16) . . ?
N8 Cu1 N6 177.43(17) . . ?
N8 Cu1 N1 93.09(17) . . ?
N8 Cu1 N5 99.70(16) . . ?
N6 Cu1 N7 97.47(16) . . ?
N6 Cu1 N1 89.47(16) . . ?
N6 Cu1 N5 79.39(16) . . ?
N1 Cu1 N5 106.70(16) . . ?
C19 N7 Cu1 114.2(3) . . ?
C15 N7 Cu1 127.6(4) . . ?
C15 N7 C19 118.2(4) . . ?
C20 N8 Cu1 115.7(3) . . ?
C24 N8 Cu1 124.9(4) . . ?
C24 N8 C20 119.4(4) . . ?
C10 N6 Cu1 116.5(3) . . ?
C14 N6 Cu1 123.6(4) . . ?
C14 N6 C10 119.5(4) . . ?
C1 N1 Cu1 166.9(4) . . ?
N1 C1 Au2 174.9(4) . . ?
N7 C19 C20 114.1(4) . . ?
N7 C19 C18 121.2(5) . . ?
C18 C19 C20 124.6(5) . . ?
N8 C20 C19 115.0(4) . . ?
N8 C20 C21 120.2(5) . . ?
C21 C20 C19 124.8(5) . . ?
C9 N5 Cu1 112.5(3) . . ?
C5 N5 Cu1 128.7(3) . . ?
C5 N5 C9 118.4(5) . . ?
N6 C10 C9 115.5(4) . . ?
N6 C10 C11 119.6(6) . . ?
C11 C10 C9 124.8(5) . . ?
N7 C15 C16 121.9(6) . . ?
N5 C9 C10 115.3(4) . . ?
N5 C9 C8 120.5(6) . . ?
C8 C9 C10 124.1(5) . . ?
C22 C21 C20 119.3(5) . . ?
N8 C24 C23 122.2(5) . . ?
C17 C18 C19 119.2(6) . . ?
N6 C14 C13 122.2(6) . . ?
C23 C22 C21 119.8(5) . . ?
C7 C6 C5 118.1(6) . . ?
C17 C16 C15 119.6(6) . . ?
C7 C8 C9 119.3(6) . . ?
C12 C11 C10 120.0(6) . . ?
C16 C17 C18 119.9(6) . . ?
C13 C12 C11 119.9(6) . . ?
C6 C7 C8 120.1(6) . . ?
N3 C3 Au1 179.0(6) . . ?
C1 Au2 Au1 87.41(14) . . ?
C2 Au2 Au1 94.07(16) . . ?
C2 Au2 C1 175.0(2) . . ?
N2 C2 Au2 176.8(6) . . ?
N4 C4 Au3 175.8(10) . . ?
C22 C23 C24 119.2(6) . . ?
C12 C13 C14 118.9(6) . . ?
N5 C5 C6 123.5(6) . . ?
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 C3 1.980(7) . ?
Au1 C3 1.980(7) 2_566 ?
Au1 Au2 3.2842(2) 2_566 ?
Au1 Au2 3.2842(2) . ?
Au3 C4 1.957(8) 2_575 ?
Au3 C4 1.957(8) . ?
Cu1 N7 2.024(4) . ?
Cu1 N8 1.973(4) . ?
Cu1 N6 1.990(4) . ?
Cu1 N1 2.027(4) . ?
Cu1 N5 2.112(4) . ?
N7 C19 1.350(6) . ?
N7 C15 1.345(6) . ?
N8 C20 1.344(6) . ?
N8 C24 1.322(6) . ?
N6 C10 1.344(6) . ?
N6 C14 1.323(7) . ?
N1 C1 1.132(6) . ?
C1 Au2 1.986(5) . ?
C19 C20 1.473(7) . ?
C19 C18 1.382(7) . ?
C20 C21 1.396(7) . ?
N5 C9 1.339(6) . ?
N5 C5 1.330(6) . ?
C10 C9 1.464(8) . ?
C10 C11 1.390(7) . ?
C15 C16 1.368(8) . ?
C9 C8 1.390(8) . ?
C21 C22 1.359(8) . ?
C24 C23 1.373(7) . ?
C18 C17 1.362(9) . ?
C14 C13 1.377(8) . ?
C22 C23 1.351(9) . ?
C6 C7 1.350(10) . ?
C6 C5 1.365(8) . ?
C16 C17 1.346(9) . ?
C8 C7 1.362(10) . ?
C11 C12 1.355(10) . ?
C12 C13 1.343(10) . ?
N3 C3 1.128(7) . ?
N4 C4 1.124(9) . ?
Au2 C2 1.978(6) . ?
N2 C2 1.125(7) . ?
