# Supplementary Information (SI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_zdj-au3cu-xqh_auto
_database_code_depnum_ccdc_archive 'CCDC 2308742'
loop_
_audit_author_name
_audit_author_address
AuCu
;Inner Mongolia university
China
;
_audit_update_record             
;
2023-11-17 deposited with the CCDC.	2024-10-07 downloaded from the CCDC.
;
_audit_creation_date             2023-10-30
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C53 H44 Au3.1 Cu0.9 N4'
_chemical_formula_sum            'C53 H44 Au3.10 Cu0.90 N4'
_chemical_formula_weight         1404.70
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.30910(10)
_cell_length_b                   15.7826(2)
_cell_length_c                   25.6534(2)
_cell_angle_alpha                90
_cell_angle_beta                 100.2160(10)
_cell_angle_gamma                90
_cell_volume                     4506.21(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    22252
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      74.6340
_cell_measurement_theta_min      3.4920
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    19.333
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.32705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.92a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.071
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2644
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            29993
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.033
_diffrn_reflns_theta_min         3.302
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     53.00  98.00   0.50    0.24    --  106.44-125.00-150.00   90
  2  ω     45.00  98.00   0.50    0.24    --  106.44 -95.00  30.00  106
  3  ω     45.00 100.00   0.50    0.24    --  106.44 -92.00 109.00  110
  4  ω     42.00  78.00   0.50    0.06    --   42.49 -92.00 109.00   72
  5  ω    -26.00  37.00   0.50    0.06    --   42.49 -92.00 109.00  126
  6  ω     32.00  67.00   0.50    0.24    --  106.44 -61.00   0.00   70
  7  ω     35.00  73.00   0.50    0.24    --  106.44 -61.00  30.00   76
  8  ω     35.00  72.00   0.50    0.24    --  106.44 -61.00 -60.00   74
  9  ω     34.00 106.00   0.50    0.24    --  106.44 -77.00 -90.00  144
 10  ω     38.00  67.00   0.50    0.24    --  106.44 -61.00-180.00   58
 11  ω     93.00 155.00   0.50    0.24    --  106.44  92.00-137.00  124
 12  ω    -24.00  37.00   0.50    0.06    --  -42.49  19.00 150.00  122
 13  ω    -22.00  37.00   0.50    0.06    --  -42.49  19.00-150.00  118
 14  ω     -4.00  22.00   0.50    0.06    --  -42.49  19.00-180.00   52
 15  ω    -77.00  29.00   0.50    0.06    --  -42.49  92.00-137.00  212
 16  ω    -81.00 -27.00   0.50    0.24    --  -99.00 125.00-120.00  108
 17  ω    -86.00 -60.00   0.50    0.24    --  -99.00  92.00-137.00   52
 18  ω    -66.00 -26.00   0.50    0.24    --  -99.00  61.00-180.00   80
 19  ω    -49.00 -24.00   0.50    0.24    --  -99.00  45.00-180.00   50
 20  ω    -49.00 -23.00   0.50    0.24    --  -99.00  45.00-150.00   52
 21  ω    -49.00 -24.00   0.50    0.24    --  -99.00  45.00-120.00   50
 22  ω    -49.00 -23.00   0.50    0.24    --  -99.00  45.00 -30.00   52
 23  ω    -48.00 -23.00   0.50    0.24    --  -99.00  45.00   0.00   50
 24  ω    -49.00 -24.00   0.50    0.24    --  -99.00  45.00  60.00   50
 25  ω    -49.00 -23.00   0.50    0.24    --  -99.00  45.00  90.00   52
 26  ω    -49.00 -24.00   0.50    0.24    --  -99.00  45.00 150.00   50
 27  ω   -172.00-110.00   0.50    0.24    --  -99.00 -92.00 109.00  124
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0313738000
_diffrn_orient_matrix_UB_12      0.0873159000
_diffrn_orient_matrix_UB_13      -0.0207055000
_diffrn_orient_matrix_UB_21      -0.0725802000
_diffrn_orient_matrix_UB_22      -0.0216892000
_diffrn_orient_matrix_UB_23      -0.0550447000
_diffrn_orient_matrix_UB_31      -0.1135920000
_diffrn_orient_matrix_UB_32      0.0378970000
_diffrn_orient_matrix_UB_33      0.0162670000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8076
_reflns_number_total             8861
_reflns_odcompleteness_completeness 99.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.43.92a (Rigaku OD, 2023)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.92a 64-bit (release 05-10-2023))'
_computing_data_reduction        'CrysAlisPro 1.171.43.92a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.270
_refine_diff_density_min         -2.367
_refine_diff_density_rms         0.165
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     554
_refine_ls_number_reflns         8861
_refine_ls_number_restraints     48
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0329
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0363P)²+30.9860P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0830
_refine_ls_wR_factor_ref         0.0853
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{Au04, Cu04}
3. Uiso/Uaniso restraints and constraints
Uanis(C00U) \\sim Ueq, Uanis(C01K) \\sim Ueq, Uanis(C01N) \\sim Ueq,
Uanis(C01L) \\sim Ueq, Uanis(C00E) \\sim Ueq, Uanis(C010) \\sim Ueq,
Uanis(C00K) \\sim Ueq, Uanis(C00F) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(Au04) = Uanis(Cu04)
4. Others
 Fixed Sof: Au04(0.1) Cu04(0.9)
5.a Ternary CH refined with riding coordinates:
 C00I(H00I), C015(H015)
5.b Secondary CH2 refined with riding coordinates:
 C00V(H00E,H00F)
5.c Aromatic/amide H refined with riding coordinates:
 C00A(H00A), C00J(H00J), C00O(H00O), C00S(H00S), C00T(H00T), C00U(H00U),
 C00W(H00W), C00X(H00X), C00Z(H00Z), C010(H010), C013(H013), C014(H014),
 C016(H016), C017(H017), C019(H019), C01C(H01G), C01D(H01H), C01E(H01I),
 C01F(H01J), C01G(H01K), C01H(H01L), C01I(H01M), C01K(H01Q), C01L(H01R),
 C01M(H01S), C01N(H01T), C01O(H01U), C01P(H01V)
5.d Idealised Me refined as rotating group:
 C00P(H00B,H00C,H00D), C01A(H01A,H01B,H01C), C01B(H01D,H01E,H01F), C01J(H01N,
 H01O,H01P)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Au01 Au 0.54947(2) 0.57260(2) 0.66965(2) 0.02323(7) Uani 1 1 d . . . . .
Au02 Au 0.35698(2) 0.49472(2) 0.57975(2) 0.02383(7) Uani 1 1 d . . . . .
Au03 Au 0.17300(2) 0.59737(2) 0.64946(2) 0.02872(7) Uani 1 1 d . . . . .
Au04 Au 0.36146(8) 0.67330(6) 0.60187(3) 0.04004(19) Uani 0.1 1 d . . P A 1
N005 N 0.5333(4) 0.3859(3) 0.69102(18) 0.0220(9) Uani 1 1 d . . . . .
N006 N 0.3210(4) 0.3609(3) 0.66203(19) 0.0230(10) Uani 1 1 d . . . . .
N007 N 0.6988(4) 0.4139(3) 0.66292(19) 0.0239(10) Uani 1 1 d . . . . .
N008 N 0.1954(4) 0.3456(3) 0.5883(2) 0.0257(10) Uani 1 1 d . . . . .
C009 C 0.5986(5) 0.4495(4) 0.6733(2) 0.0258(12) Uani 1 1 d . . . . .
C00A C 0.2411(6) 0.2421(4) 0.7132(3) 0.0319(13) Uani 1 1 d . . . . .
H00A H 0.294406 0.249813 0.745927 0.038 Uiso 1 1 calc R U . . .
C00B C 0.2467(5) 0.2934(4) 0.6699(2) 0.0265(12) Uani 1 1 d . . . . .
C00C C 0.7005(5) 0.3275(4) 0.6749(2) 0.0226(11) Uani 1 1 d . . . . .
C00D C 0.1827(5) 0.8155(5) 0.5287(3) 0.0327(14) Uani 1 1 d . . . . .
C00E C 0.4142(6) 0.8502(4) 0.6671(2) 0.0279(13) Uani 1 1 d . U . . .
C00F C 0.5005(5) 0.6936(4) 0.6678(2) 0.0253(12) Uani 1 1 d . U . . .
C00G C 0.4209(6) 0.5930(4) 0.5439(2) 0.0264(12) Uani 1 1 d . . . . .
C00H C 0.2868(5) 0.3939(4) 0.6122(2) 0.0242(12) Uani 1 1 d . . . . .
C00I C 0.7927(5) 0.4588(4) 0.6395(2) 0.0276(12) Uani 1 1 d . . . . .
H00I H 0.858614 0.417177 0.637712 0.033 Uiso 1 1 calc R U . . .
C00J C 0.5210(6) 0.7293(4) 0.4494(2) 0.0292(13) Uani 1 1 d . . . . .
H00J H 0.499334 0.680751 0.427939 0.035 Uiso 1 1 calc R U . . .
C00K C 0.4548(5) 0.7634(4) 0.6640(2) 0.0237(11) Uani 1 1 d . U . . .
C00L C 0.5948(5) 0.3093(4) 0.6930(2) 0.0233(11) Uani 1 1 d . . . . .
C00M C 0.1446(5) 0.4680(4) 0.7416(3) 0.0307(13) Uani 1 1 d . . . . .
C00N C 0.5090(5) 0.7283(4) 0.5023(2) 0.0272(12) Uani 1 1 d . . . . .
C00O C 0.1547(7) 0.1794(5) 0.7069(3) 0.0398(16) Uani 1 1 d . . . . .
H00O H 0.148444 0.143359 0.735888 0.048 Uiso 1 1 calc R U . . .
C00P C 0.8470(6) 0.5316(4) 0.6746(3) 0.0365(15) Uani 1 1 d . . . . .
H00B H 0.919249 0.552136 0.662369 0.055 Uiso 1 1 calc R U . . .
H00C H 0.868445 0.511888 0.711242 0.055 Uiso 1 1 calc R U . . .
H00D H 0.788391 0.577712 0.672651 0.055 Uiso 1 1 calc R U . . .
C00Q C 0.1170(5) 0.4098(4) 0.7808(3) 0.0286(13) Uani 1 1 d . . . . .
C00R C 0.1754(5) 0.6874(4) 0.5947(3) 0.0316(14) Uani 1 1 d . . . . .
C00S C 0.7874(5) 0.2640(4) 0.6730(3) 0.0295(13) Uani 1 1 d . . . . .
H00S H 0.857803 0.274678 0.658595 0.035 Uiso 1 1 calc R U . . .
C00T C 0.0811(6) 0.2189(4) 0.6156(3) 0.0354(14) Uani 1 1 d . . . . .
H00T H 0.027983 0.210679 0.582885 0.042 Uiso 1 1 calc R U . . .
C00U C 0.3026(7) 0.8681(5) 0.6813(3) 0.0373(15) Uani 1 1 d . U . . .
H00U H 0.251139 0.823692 0.688441 0.045 Uiso 1 1 calc R U . . .
C00V C 0.4139(5) 0.3972(4) 0.7030(2) 0.0272(12) Uani 1 1 d . . . . .
H00E H 0.398114 0.458446 0.706496 0.033 Uiso 1 1 calc R U . . .
H00F H 0.409841 0.369905 0.737422 0.033 Uiso 1 1 calc R U . . .
C00W C 0.5709(6) 0.2301(4) 0.7113(2) 0.0280(12) Uani 1 1 d . . . . .
H00W H 0.497318 0.218244 0.722829 0.034 Uiso 1 1 calc R U . . .
C00X C 0.5941(7) 0.8731(5) 0.4582(3) 0.0394(16) Uani 1 1 d . . . . .
H00X H 0.623428 0.922132 0.443102 0.047 Uiso 1 1 calc R U . . .
C00Y C 0.1662(5) 0.2828(4) 0.6215(2) 0.0265(12) Uani 1 1 d . . . . .
C00Z C 0.6591(6) 0.1682(4) 0.7120(3) 0.0314(13) Uani 1 1 d . . . . .
H00Z H 0.646905 0.113551 0.725638 0.038 Uiso 1 1 calc R U . . .
C010 C 0.4886(7) 0.9166(4) 0.6563(3) 0.0380(15) Uani 1 1 d . U . . .
H010 H 0.563926 0.904759 0.646417 0.046 Uiso 1 1 calc R U . . .
C011 C 0.1609(6) 0.5145(4) 0.7067(3) 0.0308(13) Uani 1 1 d . . . . .
C012 C 0.4601(5) 0.6549(4) 0.5256(2) 0.0272(12) Uani 1 1 d . . . . .
C013 C 0.0304(6) 0.3465(5) 0.7664(3) 0.0390(16) Uani 1 1 d . . . . .
H013 H -0.010476 0.343701 0.730697 0.047 Uiso 1 1 calc R U . . .
C014 C 0.7650(6) 0.1854(4) 0.6932(3) 0.0340(14) Uani 1 1 d . . . . .
H014 H 0.823396 0.141886 0.694201 0.041 Uiso 1 1 calc R U . . .
C015 C 0.1285(6) 0.3652(5) 0.5342(2) 0.0332(14) Uani 1 1 d . . . . .
H015 H 0.170421 0.414455 0.521133 0.040 Uiso 1 1 calc R U . . .
C016 C 0.5648(6) 0.8010(5) 0.4277(3) 0.0351(14) Uani 1 1 d . . . . .
H016 H 0.574643 0.800571 0.391724 0.042 Uiso 1 1 calc R U . . .
C017 C 0.2218(6) 0.8062(5) 0.4804(3) 0.0404(16) Uani 1 1 d . . . . .
H017 H 0.247106 0.752182 0.470212 0.048 Uiso 1 1 calc R U . . .
C018 C 0.1839(6) 0.7443(4) 0.5642(3) 0.0324(14) Uani 1 1 d . . . . .
C019 C 0.1469(7) 0.8960(5) 0.5435(3) 0.0450(17) Uani 1 1 d . . . . .
H019 H 0.121934 0.903483 0.576650 0.054 Uiso 1 1 calc R U . . .
C01A C 0.0031(6) 0.3950(5) 0.5372(3) 0.0406(16) Uani 1 1 d . . . . .
H01A H -0.040088 0.407536 0.501421 0.061 Uiso 1 1 calc R U . . .
H01B H 0.007493 0.446262 0.558973 0.061 Uiso 1 1 calc R U . . .
H01C H -0.039516 0.350505 0.553045 0.061 Uiso 1 1 calc R U . . .
C01B C 0.7422(7) 0.4849(5) 0.5836(3) 0.0427(17) Uani 1 1 d . . . . .
H01D H 0.678839 0.527181 0.583974 0.064 Uiso 1 1 calc R U . . .
H01E H 0.708460 0.435241 0.563332 0.064 Uiso 1 1 calc R U . . .
H01F H 0.806231 0.509333 0.567169 0.064 Uiso 1 1 calc R U . . .
C01C C 0.5802(7) 0.8730(5) 0.5105(3) 0.0441(17) Uani 1 1 d . . . . .
H01G H 0.598976 0.922488 0.531493 0.053 Uiso 1 1 calc R U . . .
C01D C 0.0758(6) 0.1674(5) 0.6586(3) 0.0400(16) Uani 1 1 d . . . . .
H01H H 0.017933 0.123272 0.655528 0.048 Uiso 1 1 calc R U . . .
C01E C 0.1742(8) 0.4112(5) 0.8333(3) 0.0481(19) Uani 1 1 d . . . . .
H01I H 0.232635 0.453681 0.844638 0.058 Uiso 1 1 calc R U . . .
C01F C 0.0621(7) 0.2901(5) 0.8535(3) 0.0466(18) Uani 1 1 d . . . . .
H01J H 0.044486 0.249140 0.878168 0.056 Uiso 1 1 calc R U . . .
C01G C 0.0029(6) 0.2883(5) 0.8023(3) 0.0392(16) Uani 1 1 d . . . . .
H01K H -0.057429 0.246907 0.791521 0.047 Uiso 1 1 calc R U . . .
C01H C 0.5391(7) 0.8010(4) 0.5327(3) 0.0373(15) Uani 1 1 d . . . . .
H01L H 0.531289 0.801277 0.568984 0.045 Uiso 1 1 calc R U . . .
C01I C 0.2238(8) 0.8756(6) 0.4470(3) 0.052(2) Uani 1 1 d . . . . .
H01M H 0.250640 0.869201 0.414210 0.063 Uiso 1 1 calc R U . . .
C01J C 0.1369(7) 0.2931(5) 0.4963(3) 0.0450(18) Uani 1 1 d . . . . .
H01N H 0.096816 0.242981 0.507456 0.068 Uiso 1 1 calc R U . . .
H01O H 0.221619 0.280017 0.496223 0.068 Uiso 1 1 calc R U . . .
H01P H 0.097866 0.309631 0.460527 0.068 Uiso 1 1 calc R U . . .
C01K C 0.2690(8) 0.9523(6) 0.6847(3) 0.051(2) Uani 1 1 d . U . . .
H01Q H 0.193594 0.965475 0.694094 0.062 Uiso 1 1 calc R U . . .
C01L C 0.4516(9) 0.9997(5) 0.6603(3) 0.053(2) Uani 1 1 d . U . . .
H01R H 0.501702 1.044883 0.652947 0.063 Uiso 1 1 calc R U . . .
C01M C 0.1479(9) 0.9637(6) 0.5100(4) 0.060(2) Uani 1 1 d . . . . .
H01S H 0.121912 1.017719 0.519740 0.072 Uiso 1 1 calc R U . . .
C01N C 0.3436(9) 1.0168(5) 0.6746(3) 0.055(2) Uani 1 1 d . U . . .
H01T H 0.319554 1.073992 0.677617 0.066 Uiso 1 1 calc R U . . .
C01O C 0.1481(9) 0.3519(6) 0.8694(3) 0.062(2) Uani 1 1 d . . . . .
H01U H 0.188978 0.353681 0.905116 0.074 Uiso 1 1 calc R U . . .
C01P C 0.1866(9) 0.9535(6) 0.4620(4) 0.063(3) Uani 1 1 d . . . . .
H01V H 0.187504 1.000816 0.439203 0.075 Uiso 1 1 calc R U . . .
Cu04 Cu 0.36146(8) 0.67330(6) 0.60187(3) 0.04004(19) Uani 0.9 1 d . . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Au01 Au02 3.1285(3) . ?
Au01 Au04 2.9595(9) . ?
Au01 C009 2.018(6) . ?
Au01 C00F 1.986(6) . ?
Au01 Cu04 2.9595(9) . ?
Au02 Au04 2.8737(9) . ?
Au02 C00G 2.002(6) . ?
Au02 C00H 2.023(6) . ?
Au02 Cu04 2.8737(9) . ?
Au03 Au04 2.8968(9) . ?
Au03 C00R 2.002(7) . ?
Au03 C011 1.989(7) . ?
Au03 Cu04 2.8968(9) . ?
Au04 C00F 2.119(6) . ?
Au04 C00G 2.149(6) . ?
Au04 C00K 2.254(6) . ?
Au04 C00R 2.091(6) . ?
Au04 C012 2.436(6) . ?
Au04 C018 2.352(7) . ?
N005 C009 1.370(8) . ?
N005 C00L 1.392(7) . ?
N005 C00V 1.448(8) . ?
N006 C00B 1.393(8) . ?
N006 C00H 1.370(7) . ?
N006 C00V 1.465(8) . ?
N007 C009 1.333(8) . ?
N007 C00C 1.398(8) . ?
N007 C00I 1.489(8) . ?
N008 C00H 1.341(8) . ?
N008 C00Y 1.386(8) . ?
N008 C015 1.489(8) . ?
C00A H00A 0.9500 . ?
C00A C00B 1.387(9) . ?
C00A C00O 1.380(10) . ?
C00B C00Y 1.412(9) . ?
C00C C00L 1.387(8) . ?
C00C C00S 1.410(8) . ?
C00D C017 1.396(10) . ?
C00D C018 1.445(10) . ?
C00D C019 1.405(11) . ?
C00E C00K 1.451(8) . ?
C00E C00U 1.403(10) . ?
C00E C010 1.403(10) . ?
C00F C00K 1.214(9) . ?
C00F Cu04 2.119(6) . ?
C00G C012 1.203(9) . ?
C00G Cu04 2.149(6) . ?
C00I H00I 1.0000 . ?
C00I C00P 1.520(9) . ?
C00I C01B 1.503(9) . ?
C00J H00J 0.9500 . ?
C00J C00N 1.388(8) . ?
C00J C016 1.390(9) . ?
C00K Cu04 2.254(6) . ?
C00L C00W 1.379(9) . ?
C00M C00Q 1.436(9) . ?
C00M C011 1.198(10) . ?
C00N C012 1.456(9) . ?
C00N C01H 1.395(9) . ?
C00O H00O 0.9500 . ?
C00O C01D 1.404(11) . ?
C00P H00B 0.9800 . ?
C00P H00C 0.9800 . ?
C00P H00D 0.9800 . ?
C00Q C013 1.402(9) . ?
C00Q C01E 1.386(11) . ?
C00R C018 1.206(10) . ?
C00R Cu04 2.091(6) . ?
C00S H00S 0.9500 . ?
C00S C014 1.386(9) . ?
C00T H00T 0.9500 . ?
C00T C00Y 1.384(9) . ?
C00T C01D 1.380(11) . ?
C00U H00U 0.9500 . ?
C00U C01K 1.388(10) . ?
C00V H00E 0.9900 . ?
C00V H00F 0.9900 . ?
C00W H00W 0.9500 . ?
C00W C00Z 1.393(9) . ?
C00X H00X 0.9500 . ?
C00X C016 1.387(10) . ?
C00X C01C 1.380(10) . ?
C00Z H00Z 0.9500 . ?
C00Z C014 1.396(10) . ?
C010 H010 0.9500 . ?
C010 C01L 1.385(11) . ?
C012 Cu04 2.436(6) . ?
C013 H013 0.9500 . ?
C013 C01G 1.376(10) . ?
C014 H014 0.9500 . ?
C015 H015 1.0000 . ?
C015 C01A 1.508(10) . ?
C015 C01J 1.511(10) . ?
C016 H016 0.9500 . ?
C017 H017 0.9500 . ?
C017 C01I 1.393(11) . ?
C018 Cu04 2.352(7) . ?
C019 H019 0.9500 . ?
C019 C01M 1.372(12) . ?
C01A H01A 0.9800 . ?
C01A H01B 0.9800 . ?
C01A H01C 0.9800 . ?
C01B H01D 0.9800 . ?
C01B H01E 0.9800 . ?
C01B H01F 0.9800 . ?
C01C H01G 0.9500 . ?
C01C C01H 1.388(10) . ?
C01D H01H 0.9500 . ?
C01E H01I 0.9500 . ?
C01E C01O 1.386(12) . ?
C01F H01J 0.9500 . ?
C01F C01G 1.364(11) . ?
C01F C01O 1.387(12) . ?
C01G H01K 0.9500 . ?
C01H H01L 0.9500 . ?
C01I H01M 0.9500 . ?
C01I C01P 1.375(14) . ?
C01J H01N 0.9800 . ?
C01J H01O 0.9800 . ?
C01J H01P 0.9800 . ?
C01K H01Q 0.9500 . ?
C01K C01N 1.376(14) . ?
C01L H01R 0.9500 . ?
C01L C01N 1.364(14) . ?
C01M H01S 0.9500 . ?
C01M C01P 1.388(15) . ?
C01N H01T 0.9500 . ?
C01O H01U 0.9500 . ?
C01P H01V 0.9500 . ?

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
Au04 Au01 Au02 56.248(18) . . ?
C009 Au01 Au02 78.81(16) . . ?
C009 Au01 Au04 135.02(16) . . ?
C009 Au01 Cu04 135.02(16) . . ?
C00F Au01 Au02 101.85(16) . . ?
C00F Au01 Au04 45.69(16) . . ?
C00F Au01 C009 178.6(2) . . ?
C00F Au01 Cu04 45.69(16) . . ?
Cu04 Au01 Au02 56.248(18) . . ?
Au04 Au02 Au01 58.903(18) . . ?
C00G Au02 Au01 76.89(17) . . ?
C00G Au02 Au04 48.34(17) . . ?
C00G Au02 C00H 177.0(2) . . ?
C00G Au02 Cu04 48.34(17) . . ?
C00H Au02 Au01 106.14(17) . . ?
C00H Au02 Au04 133.21(16) . . ?
C00H Au02 Cu04 133.21(16) . . ?
Cu04 Au02 Au01 58.903(18) . . ?
C00R Au03 Au04 46.20(18) . . ?
C00R Au03 Cu04 46.20(18) . . ?
C011 Au03 Au04 137.32(19) . . ?
C011 Au03 C00R 175.0(3) . . ?
C011 Au03 Cu04 137.32(19) . . ?
Au02 Au04 Au01 64.85(2) . . ?
Au02 Au04 Au03 71.88(2) . . ?
Au03 Au04 Au01 92.05(3) . . ?
C00F Au04 Au01 42.11(17) . . ?
C00F Au04 Au02 106.86(17) . . ?
C00F Au04 Au03 102.90(16) . . ?
C00F Au04 C00G 111.2(2) . . ?
C00F Au04 C00K 32.0(2) . . ?
C00F Au04 C012 106.2(2) . . ?
C00F Au04 C018 135.6(2) . . ?
C00G Au04 Au01 79.02(17) . . ?
C00G Au04 Au02 44.12(16) . . ?
C00G Au04 Au03 113.03(17) . . ?
C00G Au04 C00K 134.1(2) . . ?
C00G Au04 C012 29.6(2) . . ?
C00G Au04 C018 110.2(2) . . ?
C00K Au04 Au01 74.08(15) . . ?
C00K Au04 Au02 138.42(15) . . ?
C00K Au04 Au03 104.50(15) . . ?
C00K Au04 C012 114.8(2) . . ?
C00K Au04 C018 104.4(2) . . ?
C00R Au04 Au01 135.71(19) . . ?
C00R Au04 Au02 96.02(19) . . ?
C00R Au04 Au03 43.72(19) . . ?
C00R Au04 C00F 130.3(2) . . ?
C00R Au04 C00G 115.8(3) . . ?
C00R Au04 C00K 109.5(2) . . ?
C00R Au04 C012 122.6(2) . . ?
C00R Au04 C018 30.8(2) . . ?
C012 Au04 Au01 91.41(15) . . ?
C012 Au04 Au02 73.69(15) . . ?
C012 Au04 Au03 139.94(15) . . ?
C018 Au04 Au01 165.74(17) . . ?
C018 Au04 Au02 113.71(17) . . ?
C018 Au04 Au03 74.45(17) . . ?
C018 Au04 C012 101.9(2) . . ?
C009 N005 C00L 110.7(5) . . ?
C009 N005 C00V 123.9(5) . . ?
C00L N005 C00V 125.3(5) . . ?
C00B N006 C00V 124.7(5) . . ?
C00H N006 C00B 110.3(5) . . ?
C00H N006 C00V 124.6(5) . . ?
C009 N007 C00C 110.3(5) . . ?
C009 N007 C00I 125.0(5) . . ?
C00C N007 C00I 124.7(5) . . ?
C00H N008 C00Y 111.9(5) . . ?
C00H N008 C015 122.2(5) . . ?
C00Y N008 C015 125.7(5) . . ?
N005 C009 Au01 124.1(4) . . ?
N007 C009 Au01 129.2(5) . . ?
N007 C009 N005 106.5(5) . . ?
C00B C00A H00A 121.4 . . ?
C00O C00A H00A 121.4 . . ?
C00O C00A C00B 117.1(6) . . ?
N006 C00B C00Y 106.0(5) . . ?
C00A C00B N006 132.6(6) . . ?
C00A C00B C00Y 121.4(6) . . ?
N007 C00C C00S 132.0(6) . . ?
C00L C00C N007 107.2(5) . . ?
C00L C00C C00S 120.8(6) . . ?
C017 C00D C018 120.5(7) . . ?
C017 C00D C019 119.2(7) . . ?
C019 C00D C018 120.3(6) . . ?
C00U C00E C00K 120.9(6) . . ?
C010 C00E C00K 119.2(6) . . ?
C010 C00E C00U 119.9(6) . . ?
Au01 C00F Au04 92.2(2) . . ?
Au01 C00F Cu04 92.2(2) . . ?
C00K C00F Au01 171.0(5) . . ?
C00K C00F Au04 80.1(4) . . ?
C00K C00F Cu04 80.1(4) . . ?
Au02 C00G Au04 87.5(2) . . ?
Au02 C00G Cu04 87.5(2) . . ?
C012 C00G Au02 175.7(5) . . ?
C012 C00G Au04 88.6(4) . . ?
C012 C00G Cu04 88.6(4) . . ?
N006 C00H Au02 128.1(4) . . ?
N008 C00H Au02 125.8(4) . . ?
N008 C00H N006 106.2(5) . . ?
N007 C00I H00I 107.3 . . ?
N007 C00I C00P 111.3(5) . . ?
N007 C00I C01B 109.7(5) . . ?
C00P C00I H00I 107.3 . . ?
C01B C00I H00I 107.3 . . ?
C01B C00I C00P 113.7(6) . . ?
C00N C00J H00J 119.9 . . ?
C00N C00J C016 120.2(6) . . ?
C016 C00J H00J 119.9 . . ?
C00E C00K Au04 121.4(4) . . ?
C00E C00K Cu04 121.4(4) . . ?
C00F C00K Au04 67.8(4) . . ?
C00F C00K C00E 170.8(6) . . ?
C00F C00K Cu04 67.8(4) . . ?
C00C C00L N005 105.3(5) . . ?
C00W C00L N005 132.3(5) . . ?
C00W C00L C00C 122.3(5) . . ?
C011 C00M C00Q 175.5(7) . . ?
C00J C00N C012 121.3(6) . . ?
C00J C00N C01H 118.7(6) . . ?
C01H C00N C012 119.9(5) . . ?
C00A C00O H00O 119.1 . . ?
C00A C00O C01D 121.8(7) . . ?
C01D C00O H00O 119.1 . . ?
C00I C00P H00B 109.5 . . ?
C00I C00P H00C 109.5 . . ?
C00I C00P H00D 109.5 . . ?
H00B C00P H00C 109.5 . . ?
H00B C00P H00D 109.5 . . ?
H00C C00P H00D 109.5 . . ?
C013 C00Q C00M 119.9(6) . . ?
C01E C00Q C00M 123.1(6) . . ?
C01E C00Q C013 116.9(6) . . ?
Au03 C00R Au04 90.1(3) . . ?
Au03 C00R Cu04 90.1(3) . . ?
C018 C00R Au03 175.2(6) . . ?
C018 C00R Au04 86.7(5) . . ?
C018 C00R Cu04 86.7(5) . . ?
C00C C00S H00S 121.7 . . ?
C014 C00S C00C 116.7(6) . . ?
C014 C00S H00S 121.7 . . ?
C00Y C00T H00T 121.0 . . ?
C01D C00T H00T 121.0 . . ?
C01D C00T C00Y 118.0(7) . . ?
C00E C00U H00U 120.7 . . ?
C01K C00U C00E 118.6(7) . . ?
C01K C00U H00U 120.7 . . ?
N005 C00V N006 112.1(5) . . ?
N005 C00V H00E 109.2 . . ?
N005 C00V H00F 109.2 . . ?
N006 C00V H00E 109.2 . . ?
N006 C00V H00F 109.2 . . ?
H00E C00V H00F 107.9 . . ?
C00L C00W H00W 121.4 . . ?
C00L C00W C00Z 117.2(6) . . ?
C00Z C00W H00W 121.4 . . ?
C016 C00X H00X 120.3 . . ?
C01C C00X H00X 120.3 . . ?
C01C C00X C016 119.3(7) . . ?
N008 C00Y C00B 105.6(5) . . ?
C00T C00Y N008 133.7(6) . . ?
C00T C00Y C00B 120.7(6) . . ?
C00W C00Z H00Z 119.5 . . ?
C00W C00Z C014 121.0(6) . . ?
C014 C00Z H00Z 119.5 . . ?
C00E C010 H010 120.2 . . ?
C01L C010 C00E 119.6(8) . . ?
C01L C010 H010 120.2 . . ?
C00M C011 Au03 174.4(6) . . ?
C00G C012 Au04 61.9(4) . . ?
C00G C012 C00N 178.4(7) . . ?
C00G C012 Cu04 61.9(4) . . ?
C00N C012 Au04 119.7(4) . . ?
C00N C012 Cu04 119.7(4) . . ?
C00Q C013 H013 119.1 . . ?
C01G C013 C00Q 121.9(7) . . ?
C01G C013 H013 119.1 . . ?
C00S C014 C00Z 121.9(6) . . ?
C00S C014 H014 119.0 . . ?
C00Z C014 H014 119.0 . . ?
N008 C015 H015 106.3 . . ?
N008 C015 C01A 110.2(5) . . ?
N008 C015 C01J 111.4(6) . . ?
C01A C015 H015 106.3 . . ?
C01A C015 C01J 115.8(6) . . ?
C01J C015 H015 106.3 . . ?
C00J C016 H016 119.7 . . ?
C00X C016 C00J 120.6(6) . . ?
C00X C016 H016 119.7 . . ?
C00D C017 H017 119.9 . . ?
C01I C017 C00D 120.3(8) . . ?
C01I C017 H017 119.9 . . ?
C00D C018 Au04 122.8(4) . . ?
C00D C018 Cu04 122.8(4) . . ?
C00R C018 Au04 62.5(4) . . ?
C00R C018 C00D 174.3(7) . . ?
C00R C018 Cu04 62.5(4) . . ?
C00D C019 H019 120.0 . . ?
C01M C019 C00D 120.0(8) . . ?
C01M C019 H019 120.0 . . ?
C015 C01A H01A 109.5 . . ?
C015 C01A H01B 109.5 . . ?
C015 C01A H01C 109.5 . . ?
H01A C01A H01B 109.5 . . ?
H01A C01A H01C 109.5 . . ?
H01B C01A H01C 109.5 . . ?
C00I C01B H01D 109.5 . . ?
C00I C01B H01E 109.5 . . ?
C00I C01B H01F 109.5 . . ?
H01D C01B H01E 109.5 . . ?
H01D C01B H01F 109.5 . . ?
H01E C01B H01F 109.5 . . ?
C00X C01C H01G 119.9 . . ?
C00X C01C C01H 120.3(7) . . ?
C01H C01C H01G 119.9 . . ?
C00O C01D H01H 119.5 . . ?
C00T C01D C00O 121.0(7) . . ?
C00T C01D H01H 119.5 . . ?
C00Q C01E H01I 119.3 . . ?
C00Q C01E C01O 121.4(7) . . ?
C01O C01E H01I 119.3 . . ?
C01G C01F H01J 120.1 . . ?
C01G C01F C01O 119.8(7) . . ?
C01O C01F H01J 120.1 . . ?
C013 C01G H01K 120.0 . . ?
C01F C01G C013 120.1(7) . . ?
C01F C01G H01K 120.0 . . ?
C00N C01H H01L 119.6 . . ?
C01C C01H C00N 120.7(6) . . ?
C01C C01H H01L 119.6 . . ?
C017 C01I H01M 120.2 . . ?
C01P C01I C017 119.5(8) . . ?
C01P C01I H01M 120.2 . . ?
C015 C01J H01N 109.5 . . ?
C015 C01J H01O 109.5 . . ?
C015 C01J H01P 109.5 . . ?
H01N C01J H01O 109.5 . . ?
H01N C01J H01P 109.5 . . ?
H01O C01J H01P 109.5 . . ?
C00U C01K H01Q 119.6 . . ?
C01N C01K C00U 120.8(8) . . ?
C01N C01K H01Q 119.6 . . ?
C010 C01L H01R 119.9 . . ?
C01N C01L C010 120.2(8) . . ?
C01N C01L H01R 119.9 . . ?
C019 C01M H01S 119.9 . . ?
C019 C01M C01P 120.3(9) . . ?
C01P C01M H01S 119.9 . . ?
C01K C01N H01T 119.6 . . ?
C01L C01N C01K 120.8(7) . . ?
C01L C01N H01T 119.6 . . ?
C01E C01O C01F 120.0(8) . . ?
C01E C01O H01U 120.0 . . ?
C01F C01O H01U 120.0 . . ?
C01I C01P C01M 120.7(8) . . ?
C01I C01P H01V 119.6 . . ?
C01M C01P H01V 119.6 . . ?
Au02 Cu04 Au01 64.85(2) . . ?
Au02 Cu04 Au03 71.88(2) . . ?
Au03 Cu04 Au01 92.05(3) . . ?
C00F Cu04 Au01 42.11(17) . . ?
C00F Cu04 Au02 106.86(17) . . ?
C00F Cu04 Au03 102.90(16) . . ?
C00F Cu04 C00G 111.2(2) . . ?
C00F Cu04 C00K 32.0(2) . . ?
C00F Cu04 C012 106.2(2) . . ?
C00F Cu04 C018 135.6(2) . . ?
C00G Cu04 Au01 79.02(17) . . ?
C00G Cu04 Au02 44.12(16) . . ?
C00G Cu04 Au03 113.03(17) . . ?
C00G Cu04 C00K 134.1(2) . . ?
C00G Cu04 C012 29.6(2) . . ?
C00G Cu04 C018 110.2(2) . . ?
C00K Cu04 Au01 74.08(15) . . ?
C00K Cu04 Au02 138.42(15) . . ?
C00K Cu04 Au03 104.50(15) . . ?
C00K Cu04 C012 114.8(2) . . ?
C00K Cu04 C018 104.4(2) . . ?
C00R Cu04 Au01 135.71(19) . . ?
C00R Cu04 Au02 96.02(19) . . ?
C00R Cu04 Au03 43.72(19) . . ?
C00R Cu04 C00F 130.3(2) . . ?
C00R Cu04 C00G 115.8(3) . . ?
C00R Cu04 C00K 109.5(2) . . ?
C00R Cu04 C012 122.6(2) . . ?
C00R Cu04 C018 30.8(2) . . ?
C012 Cu04 Au01 91.41(15) . . ?
C012 Cu04 Au02 73.69(15) . . ?
C012 Cu04 Au03 139.94(15) . . ?
C018 Cu04 Au01 165.74(17) . . ?
C018 Cu04 Au02 113.71(17) . . ?
C018 Cu04 Au03 74.45(17) . . ?
C018 Cu04 C012 101.9(2) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N005 C00L C00W C00Z -173.7(6) . . . . ?
N006 C00B C00Y N008 -1.3(6) . . . . ?
N006 C00B C00Y C00T 178.5(5) . . . . ?
N007 C00C C00L N005 0.2(6) . . . . ?
N007 C00C C00L C00W -176.1(5) . . . . ?
N007 C00C C00S C014 173.3(6) . . . . ?
C009 N005 C00L C00C -1.0(6) . . . . ?
C009 N005 C00L C00W 174.7(6) . . . . ?
C009 N005 C00V N006 105.0(6) . . . . ?
C009 N007 C00C C00L 0.7(6) . . . . ?
C009 N007 C00C C00S -176.9(6) . . . . ?
C009 N007 C00I C00P 60.5(8) . . . . ?
C009 N007 C00I C01B -66.2(8) . . . . ?
C00A C00B C00Y N008 178.3(5) . . . . ?
C00A C00B C00Y C00T -1.9(9) . . . . ?
C00A C00O C01D C00T -0.6(11) . . . . ?
C00B N006 C00H Au02 177.5(4) . . . . ?
C00B N006 C00H N008 -2.5(6) . . . . ?
C00B N006 C00V N005 115.8(6) . . . . ?
C00B C00A C00O C01D 0.2(10) . . . . ?
C00C N007 C009 Au01 175.0(4) . . . . ?
C00C N007 C009 N005 -1.3(6) . . . . ?
C00C N007 C00I C00P -122.6(6) . . . . ?
C00C N007 C00I C01B 110.7(7) . . . . ?
C00C C00L C00W C00Z 1.4(9) . . . . ?
C00C C00S C014 C00Z 3.1(10) . . . . ?
C00D C017 C01I C01P -0.2(12) . . . . ?
C00D C019 C01M C01P -1.4(13) . . . . ?
C00E C00U C01K C01N -0.3(11) . . . . ?
C00E C010 C01L C01N 0.1(11) . . . . ?
C00H N006 C00B C00A -177.1(6) . . . . ?
C00H N006 C00B C00Y 2.4(6) . . . . ?
C00H N006 C00V N005 -71.2(7) . . . . ?
C00H N008 C00Y C00B -0.2(6) . . . . ?
C00H N008 C00Y C00T -179.9(7) . . . . ?
C00H N008 C015 C01A -109.9(7) . . . . ?
C00H N008 C015 C01J 120.2(7) . . . . ?
C00I N007 C009 Au01 -7.7(9) . . . . ?
C00I N007 C009 N005 176.0(5) . . . . ?
C00I N007 C00C C00L -176.6(5) . . . . ?
C00I N007 C00C C00S 5.8(10) . . . . ?
C00J C00N C012 Au04 -153.7(5) . . . . ?
C00J C00N C012 Cu04 -153.7(5) . . . . ?
C00J C00N C01H C01C 0.0(11) . . . . ?
C00K C00E C00U C01K 178.7(6) . . . . ?
C00K C00E C010 C01L -178.6(6) . . . . ?
C00L N005 C009 Au01 -175.1(4) . . . . ?
C00L N005 C009 N007 1.4(6) . . . . ?
C00L N005 C00V N006 -71.4(7) . . . . ?
C00L C00C C00S C014 -4.1(9) . . . . ?
C00L C00W C00Z C014 -2.3(9) . . . . ?
C00M C00Q C013 C01G 178.6(7) . . . . ?
C00M C00Q C01E C01O -177.6(8) . . . . ?
C00N C00J C016 C00X -1.6(10) . . . . ?
C00O C00A C00B N006 -179.5(6) . . . . ?
C00O C00A C00B C00Y 1.0(9) . . . . ?
C00Q C013 C01G C01F -1.3(12) . . . . ?
C00Q C01E C01O C01F -0.7(15) . . . . ?
C00S C00C C00L N005 178.1(5) . . . . ?
C00S C00C C00L C00W 1.9(9) . . . . ?
C00U C00E C00K Au04 67.0(7) . . . . ?
C00U C00E C00K Cu04 67.0(7) . . . . ?
C00U C00E C010 C01L 0.5(10) . . . . ?
C00U C01K C01N C01L 0.9(12) . . . . ?
C00V N005 C009 Au01 8.1(8) . . . . ?
C00V N005 C009 N007 -175.4(5) . . . . ?
C00V N005 C00L C00C 175.8(5) . . . . ?
C00V N005 C00L C00W -8.5(10) . . . . ?
C00V N006 C00B C00A -3.3(10) . . . . ?
C00V N006 C00B C00Y 176.2(5) . . . . ?
C00V N006 C00H Au02 3.6(8) . . . . ?
C00V N006 C00H N008 -176.3(5) . . . . ?
C00W C00Z C014 C00S 0.1(10) . . . . ?
C00X C01C C01H C00N -1.2(12) . . . . ?
C00Y N008 C00H Au02 -178.3(4) . . . . ?
C00Y N008 C00H N006 1.6(6) . . . . ?
C00Y N008 C015 C01A 63.6(8) . . . . ?
C00Y N008 C015 C01J -66.3(8) . . . . ?
C00Y C00T C01D C00O -0.3(10) . . . . ?
C010 C00E C00K Au04 -113.8(6) . . . . ?
C010 C00E C00K Cu04 -113.8(6) . . . . ?
C010 C00E C00U C01K -0.4(10) . . . . ?
C010 C01L C01N C01K -0.8(13) . . . . ?
C012 C00N C01H C01C -176.8(7) . . . . ?
C013 C00Q C01E C01O 0.9(12) . . . . ?
C015 N008 C00H Au02 -4.0(8) . . . . ?
C015 N008 C00H N006 176.0(5) . . . . ?
C015 N008 C00Y C00B -174.3(5) . . . . ?
C015 N008 C00Y C00T 5.9(11) . . . . ?
C016 C00J C00N C012 178.2(6) . . . . ?
C016 C00J C00N C01H 1.4(10) . . . . ?
C016 C00X C01C C01H 1.0(12) . . . . ?
C017 C00D C018 Au04 61.8(8) . . . . ?
C017 C00D C018 Cu04 61.8(8) . . . . ?
C017 C00D C019 C01M 1.5(11) . . . . ?
C017 C01I C01P C01M 0.4(13) . . . . ?
C018 C00D C017 C01I -178.1(7) . . . . ?
C018 C00D C019 C01M 178.9(7) . . . . ?
C019 C00D C017 C01I -0.8(10) . . . . ?
C019 C00D C018 Au04 -115.5(6) . . . . ?
C019 C00D C018 Cu04 -115.5(6) . . . . ?
C019 C01M C01P C01I 0.4(14) . . . . ?
C01C C00X C016 C00J 0.4(11) . . . . ?
C01D C00T C00Y N008 -178.8(6) . . . . ?
C01D C00T C00Y C00B 1.5(9) . . . . ?
C01E C00Q C013 C01G 0.1(11) . . . . ?
C01G C01F C01O C01E -0.5(15) . . . . ?
C01H C00N C012 Au04 23.1(8) . . . . ?
C01H C00N C012 Cu04 23.1(8) . . . . ?
C01O C01F C01G C013 1.5(13) . . . . ?

_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 2.962
_oxdiff_exptl_absorpt_empirical_full_min 0.623
