# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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 
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data_240613ag29_0m
_database_code_depnum_ccdc_archive 'CCDC 2533432'
loop_
_audit_author_name
_audit_author_address
'Daichi Arima'
;Rikkyo University
Japan
;
_audit_update_record             
;
2026-02-26 deposited with the CCDC.	2026-04-13 downloaded from the CCDC.
;
_audit_creation_date             2024-06-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        Monoclinic
_chemical_formula_moiety         'C51 H66 Au Cu3 P S3'
_chemical_formula_sum            'C51 H66 Au Cu3 P S3'
_chemical_formula_weight         1193.77
_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 0.0033 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.674(5)
_cell_length_b                   15.457(6)
_cell_length_c                   17.319(6)
_cell_angle_alpha                66.822(10)
_cell_angle_beta                 69.544(10)
_cell_angle_gamma                84.982(10)
_cell_volume                     3147(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9599
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      25.909
_cell_measurement_theta_min      2.205
_shelx_estimated_absorpt_T_max   0.966
_shelx_estimated_absorpt_T_min   0.723
_exptl_absorpt_coefficient_mu    3.474
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6361
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1268 before and 0.0830 after correction.
The Ratio of minimum to maximum transmission is 0.8531.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1202
_exptl_crystal_preparation       'diffusion method,Luminescent'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: THF/n-Hexane'
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1284
_diffrn_reflns_av_unetI/netI     0.0637
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            143610
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.601
_diffrn_reflns_theta_min         1.702
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10852
_reflns_number_total             14525
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.991
_refine_diff_density_min         -1.463
_refine_diff_density_rms         0.142
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         14525
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0410
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0618P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1009
_refine_ls_wR_factor_ref         0.1153
_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. Uiso/Uaniso restraints and constraints
Uanis(C018) \\sim Ueq, Uanis(C011) \\sim Ueq, Uanis(C01G) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
3.a Ternary CH refined with riding coordinates:
 C00Q(H00R), C00R(H00S), C00T(H00T), C011(H011), C013(H013), C01A(H01J),
 C01G(H01S), C01I(H01U), C01K(H01X)
3.b Secondary CH2 refined with riding coordinates:
 C00D(H00B,H00C), C00I(H00D,H00E), C00J(H00F,H00G), C00K(H00I,H00J), C00L(H00K,
 H00L), C00P(H00P,H00Q), C00U(H00U,H00V), C00V(H00W,H00X), C00X(H00Z,H),
 C00Y(H00,HA), C016(H01A,H01B), C017(H01C,H01D), C018(H01E,H01F), C01C(H01L,
 H01M), C01D(H01N,H01O), C01J(H01V,H01W), C01M(H01Z,HD), C01N(H01,HE)
3.c Aromatic/amide H refined with riding coordinates:
 C00A(H00A), C00H(H00H), C00M(H00M), C00N(H00N), C00O(H00O), C00W(H00Y),
 C00Z(H1), C010(H010), C012(H012), C015(H015), C01B(H01K), C01H(H01T)
3.d Idealised Me refined as rotating group:
 C019(H01G,H01H,H01I), C01E(H01P,H01Q,H01R), C01L(H01Y,HB,HC)
;
_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 0.07477(2) 0.55663(2) 0.48493(2) 0.02573(6) Uani 1 1 d . . . . .
Cu02 Cu -0.03392(5) 0.45869(5) 0.66776(4) 0.03622(15) Uani 1 1 d . . . . .
Cu03 Cu 0.14088(5) 0.40792(5) 0.41032(4) 0.03641(15) Uani 1 1 d . . . . .
Cu04 Cu 0.10341(5) 0.36713(5) 0.57996(4) 0.03781(16) Uani 1 1 d . . . . .
S005 S 0.25735(10) 0.39477(9) 0.47419(10) 0.0362(3) Uani 1 1 d . . . . .
S006 S -0.02262(11) 0.30530(10) 0.70864(10) 0.0389(3) Uani 1 1 d . . . . .
S007 S 0.06234(10) 0.40335(10) 0.32127(9) 0.0379(3) Uani 1 1 d . . . . .
P008 P 0.21426(10) 0.65214(9) 0.46177(9) 0.0280(3) Uani 1 1 d . . . . .
C009 C 0.0372(5) 0.2641(4) 0.7962(4) 0.0413(13) Uani 1 1 d . . . . .
C00A C 0.3526(4) 0.5496(4) 0.5515(4) 0.0391(12) Uani 1 1 d . . . . .
H00A H 0.384627 0.532873 0.502754 0.047 Uiso 1 1 calc R U . . .
C00B C 0.2699(4) 0.6092(3) 0.5514(3) 0.0309(11) Uani 1 1 d . . . . .
C00C C 0.3229(4) 0.2826(4) 0.4825(4) 0.0347(12) Uani 1 1 d . . . . .
C00D C 0.2478(4) 0.2002(4) 0.5079(4) 0.0402(13) Uani 1 1 d . . . . .
H00B H 0.213554 0.215233 0.463982 0.048 Uiso 1 1 calc R U . . .
H00C H 0.194440 0.188958 0.565737 0.048 Uiso 1 1 calc R U . . .
C00E C 0.1640(4) 0.4200(4) 0.2125(4) 0.0385(12) Uani 1 1 d . . . . .
C00F C 0.1826(4) 0.7729(4) 0.4497(3) 0.0344(11) Uani 1 1 d . . . . .
C00G C 0.3224(4) 0.6694(3) 0.3585(3) 0.0320(11) Uani 1 1 d . . . . .
C00H C 0.3029(4) 0.6537(4) 0.2912(4) 0.0407(13) Uani 1 1 d . . . . .
H00H H 0.238703 0.626208 0.303020 0.049 Uiso 1 1 calc R U . . .
C00I C 0.1352(5) 0.3234(4) 0.7709(5) 0.0578(19) Uani 1 1 d . . . . .
H00D H 0.117722 0.387838 0.762632 0.069 Uiso 1 1 calc R U . . .
H00E H 0.185531 0.323694 0.715068 0.069 Uiso 1 1 calc R U . . .
C00J C 0.4085(4) 0.2997(4) 0.3923(4) 0.0420(13) Uani 1 1 d . . . . .
H00F H 0.456239 0.351379 0.377365 0.050 Uiso 1 1 calc R U . . .
H00G H 0.377485 0.317029 0.346119 0.050 Uiso 1 1 calc R U . . .
C00K C 0.3751(4) 0.2586(4) 0.5540(4) 0.0398(13) Uani 1 1 d . . . . .
H00I H 0.421403 0.311214 0.539333 0.048 Uiso 1 1 calc R U . . .
H00J H 0.322125 0.246945 0.612098 0.048 Uiso 1 1 calc R U . . .
C00L C 0.0679(5) 0.1629(4) 0.8101(4) 0.0492(15) Uani 1 1 d . . . . .
H00K H 0.119174 0.161778 0.755151 0.059 Uiso 1 1 calc R U . . .
H00L H 0.006850 0.123842 0.825101 0.059 Uiso 1 1 calc R U . . .
C00M C 0.2214(5) 0.6303(5) 0.6264(4) 0.0461(14) Uani 1 1 d . . . . .
H00M H 0.165720 0.669462 0.628199 0.055 Uiso 1 1 calc R U . . .
C00N C 0.3873(5) 0.5155(4) 0.6229(4) 0.0454(14) Uani 1 1 d . . . . .
H00N H 0.442857 0.476220 0.620992 0.055 Uiso 1 1 calc R U . . .
C00O C 0.4204(4) 0.7078(4) 0.3390(4) 0.0433(14) Uani 1 1 d . . . . .
H00O H 0.435834 0.716164 0.383864 0.052 Uiso 1 1 calc R U . . .
C00P C -0.0431(6) 0.2640(5) 0.8827(4) 0.0579(17) Uani 1 1 d . . . . .
H00P H -0.104685 0.225419 0.898246 0.070 Uiso 1 1 calc R U . . .
H00Q H -0.063866 0.327757 0.874539 0.070 Uiso 1 1 calc R U . . .
C00Q C 0.4378(5) 0.1703(4) 0.5568(5) 0.0521(16) Uani 1 1 d . . . . .
H00R H 0.470473 0.154566 0.602442 0.062 Uiso 1 1 calc R U . . .
C00R C 0.3095(5) 0.1119(4) 0.5114(5) 0.0490(15) Uani 1 1 d . . . . .
H00S H 0.261263 0.059150 0.527772 0.059 Uiso 1 1 calc R U . . .
C00S C 0.3429(4) 0.5371(4) 0.6974(4) 0.0408(13) Uani 1 1 d . . . . .
C00T C 0.4694(5) 0.2094(5) 0.3962(5) 0.0522(16) Uani 1 1 d . . . . .
H00T H 0.523103 0.220352 0.337772 0.063 Uiso 1 1 calc R U . . .
C00U C 0.2490(5) 0.4956(5) 0.1843(4) 0.0522(16) Uani 1 1 d . . . . .
H00U H 0.282349 0.478133 0.228994 0.063 Uiso 1 1 calc R U . . .
H00V H 0.217767 0.555382 0.179927 0.063 Uiso 1 1 calc R U . . .
C00V C 0.3928(5) 0.1267(5) 0.4222(5) 0.0580(18) Uani 1 1 d . . . . .
H00W H 0.360890 0.140733 0.376928 0.070 Uiso 1 1 calc R U . . .
H00X H 0.430393 0.069821 0.425835 0.070 Uiso 1 1 calc R U . . .
C00W C 0.2565(5) 0.5928(5) 0.6995(4) 0.0540(16) Uani 1 1 d . . . . .
H00Y H 0.221539 0.605172 0.750418 0.065 Uiso 1 1 calc R U . . .
C00X C 0.2145(5) 0.3264(4) 0.2200(4) 0.0514(16) Uani 1 1 d . . . . .
H00Z H 0.161535 0.277878 0.237599 0.062 Uiso 1 1 calc R U . . .
H H 0.246890 0.307692 0.265448 0.062 Uiso 1 1 calc R U . . .
C00Y C 0.1124(5) 0.4486(5) 0.1414(4) 0.0547(16) Uani 1 1 d . . . . .
H00 H 0.079911 0.508014 0.136687 0.066 Uiso 1 1 calc R U . . .
HA H 0.058225 0.401253 0.158721 0.066 Uiso 1 1 calc R U . . .
C00Z C 0.2526(5) 0.8345(4) 0.4477(5) 0.0554(17) Uani 1 1 d . . . . .
H1 H 0.313576 0.812835 0.459395 0.067 Uiso 1 1 calc R U . . .
C010 C 0.3783(4) 0.6786(4) 0.2070(4) 0.0462(14) Uani 1 1 d . . . . .
H010 H 0.364049 0.666608 0.163280 0.055 Uiso 1 1 calc R U . . .
C011 C 0.1829(7) 0.2827(6) 0.8446(6) 0.083(3) Uani 1 1 d . U . . .
H011 H 0.245584 0.321661 0.827982 0.100 Uiso 1 1 calc R U . . .
C012 C 0.0905(5) 0.8072(4) 0.4355(5) 0.0532(16) Uani 1 1 d . . . . .
H012 H 0.042331 0.766783 0.437351 0.064 Uiso 1 1 calc R U . . .
C013 C 0.1137(5) 0.1234(5) 0.8855(5) 0.0609(19) Uani 1 1 d . . . . .
H013 H 0.131223 0.058117 0.894485 0.073 Uiso 1 1 calc R U . . .
C014 C 0.4744(4) 0.7209(4) 0.1860(4) 0.0463(14) Uani 1 1 d . . . . .
C015 C 0.4956(5) 0.7340(5) 0.2546(4) 0.0535(16) Uani 1 1 d . . . . .
H015 H 0.560310 0.760352 0.243250 0.064 Uiso 1 1 calc R U . . .
C016 C 0.5215(5) 0.1866(5) 0.4675(5) 0.0577(18) Uani 1 1 d . . . . .
H01A H 0.560849 0.130630 0.470888 0.069 Uiso 1 1 calc R U . . .
H01B H 0.569475 0.238552 0.451317 0.069 Uiso 1 1 calc R U . . .
C017 C 0.3606(5) 0.0879(4) 0.5825(5) 0.0588(18) Uani 1 1 d . . . . .
H01C H 0.397614 0.030654 0.586915 0.071 Uiso 1 1 calc R U . . .
H01D H 0.307225 0.077285 0.640250 0.071 Uiso 1 1 calc R U . . .
C018 C 0.1019(8) 0.2877(7) 0.9291(6) 0.100(3) Uani 1 1 d . U . . .
H01E H 0.084239 0.352647 0.918235 0.121 Uiso 1 1 calc R U . . .
H01F H 0.130840 0.265870 0.976818 0.121 Uiso 1 1 calc R U . . .
C019 C 0.3829(6) 0.5028(5) 0.7747(4) 0.0617(19) Uani 1 1 d . . . . .
H01G H 0.328185 0.466058 0.828521 0.092 Uiso 1 1 calc R U . . .
H01H H 0.404703 0.555979 0.781499 0.092 Uiso 1 1 calc R U . . .
H01I H 0.441154 0.464693 0.763227 0.092 Uiso 1 1 calc R U . . .
C01A C 0.2979(6) 0.3367(6) 0.1289(5) 0.074(2) Uani 1 1 d . . . . .
H01J H 0.330502 0.276622 0.133820 0.089 Uiso 1 1 calc R U . . .
C01B C 0.2306(5) 0.9288(5) 0.4281(5) 0.0618(19) Uani 1 1 d . . . . .
H01K H 0.278578 0.969812 0.425633 0.074 Uiso 1 1 calc R U . . .
C01C C 0.2127(6) 0.1818(5) 0.8581(6) 0.079(3) Uani 1 1 d . . . . .
H01L H 0.262896 0.179958 0.803115 0.094 Uiso 1 1 calc R U . . .
H01M H 0.244052 0.157068 0.904363 0.094 Uiso 1 1 calc R U . . .
C01D C 0.2426(7) 0.3650(6) 0.0578(5) 0.086(3) Uani 1 1 d . . . . .
H01N H 0.293125 0.370391 0.000232 0.104 Uiso 1 1 calc R U . . .
H01O H 0.188982 0.316914 0.075675 0.104 Uiso 1 1 calc R U . . .
C01E C 0.5530(5) 0.7539(6) 0.0929(4) 0.0634(19) Uani 1 1 d . . . . .
H01P H 0.531071 0.730439 0.057451 0.095 Uiso 1 1 calc R U . . .
H01Q H 0.619895 0.730807 0.095085 0.095 Uiso 1 1 calc R U . . .
H01R H 0.558366 0.821558 0.066622 0.095 Uiso 1 1 calc R U . . .
C01F C 0.1409(6) 0.9633(4) 0.4124(5) 0.0607(19) Uani 1 1 d . . . . .
C01G C 0.0011(8) 0.2259(6) 0.9581(5) 0.083(2) Uani 1 1 d . U . . .
H01S H -0.050233 0.228132 1.013318 0.100 Uiso 1 1 calc R U . . .
C01H C 0.0695(6) 0.9006(5) 0.4185(6) 0.069(2) Uani 1 1 d . . . . .
H01T H 0.006312 0.921702 0.411122 0.083 Uiso 1 1 calc R U . . .
C01I C 0.3308(6) 0.5057(6) 0.0936(5) 0.075(2) Uani 1 1 d . . . . .
H01U H 0.384299 0.554744 0.075716 0.090 Uiso 1 1 calc R U . . .
C01J C 0.0321(6) 0.1249(6) 0.9724(5) 0.077(2) Uani 1 1 d . . . . .
H01V H -0.029107 0.085099 0.989384 0.092 Uiso 1 1 calc R U . . .
H01W H 0.060947 0.100621 1.020203 0.092 Uiso 1 1 calc R U . . .
C01K C 0.1938(8) 0.4589(6) 0.0506(5) 0.085(3) Uani 1 1 d . . . . .
H01X H 0.159505 0.477374 0.005764 0.101 Uiso 1 1 calc R U . . .
C01L C 0.1179(8) 1.0663(5) 0.3900(7) 0.100(3) Uani 1 1 d . . . . .
H01Y H 0.165340 1.103652 0.331696 0.149 Uiso 1 1 calc R U . . .
HB H 0.126546 1.085715 0.433570 0.149 Uiso 1 1 calc R U . . .
HC H 0.047377 1.074725 0.390403 0.149 Uiso 1 1 calc R U . . .
C01M C 0.2768(8) 0.5341(7) 0.0232(5) 0.103(4) Uani 1 1 d . . . . .
H01Z H 0.245140 0.593847 0.018050 0.124 Uiso 1 1 calc R U . . .
HD H 0.328080 0.541566 -0.034691 0.124 Uiso 1 1 calc R U . . .
C01N C 0.3813(6) 0.4131(7) 0.1023(6) 0.089(3) Uani 1 1 d . . . . .
H01 H 0.414094 0.395768 0.147377 0.107 Uiso 1 1 calc R U . . .
HE H 0.434880 0.419274 0.045831 0.107 Uiso 1 1 calc R U . . .


_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 Au01 2.5844(8) 2_566 ?
Au01 Cu02 2.9849(12) 2_566 ?
Au01 Cu02 2.8031(12) . ?
Au01 Cu03 2.9879(11) . ?
Au01 Cu03 3.0079(11) 2_566 ?
Au01 Cu04 2.8100(11) . ?
Au01 Cu04 2.9929(11) 2_566 ?
Au01 P008 2.3389(14) . ?
Cu02 Cu03 2.6227(11) 2_566 ?
Cu02 Cu04 2.6599(11) . ?
Cu02 S006 2.1994(18) . ?
Cu02 S007 2.2037(17) 2_566 ?
Cu03 Cu04 2.6149(14) . ?
Cu03 S005 2.1906(16) . ?
Cu03 S007 2.1896(17) . ?
Cu04 S005 2.1943(17) . ?
Cu04 S006 2.1857(17) . ?
S005 C00C 1.858(5) . ?
S006 C009 1.842(6) . ?
S007 C00E 1.844(6) . ?
P008 C00B 1.831(5) . ?
P008 C00F 1.825(5) . ?
P008 C00G 1.818(5) . ?
C009 C00I 1.521(8) . ?
C009 C00L 1.531(8) . ?
C009 C00P 1.516(9) . ?
C00A H00A 0.9300 . ?
C00A C00B 1.395(7) . ?
C00A C00N 1.373(8) . ?
C00B C00M 1.389(7) . ?
C00C C00D 1.530(7) . ?
C00C C00J 1.526(8) . ?
C00C C00K 1.547(7) . ?
C00D H00B 0.9700 . ?
C00D H00C 0.9700 . ?
C00D C00R 1.533(7) . ?
C00E C00U 1.531(8) . ?
C00E C00X 1.526(8) . ?
C00E C00Y 1.529(8) . ?
C00F C00Z 1.391(8) . ?
C00F C012 1.388(8) . ?
C00G C00H 1.391(7) . ?
C00G C00O 1.388(7) . ?
C00H H00H 0.9300 . ?
C00H C010 1.384(8) . ?
C00I H00D 0.9700 . ?
C00I H00E 0.9700 . ?
C00I C011 1.525(9) . ?
C00J H00F 0.9700 . ?
C00J H00G 0.9700 . ?
C00J C00T 1.552(8) . ?
C00K H00I 0.9700 . ?
C00K H00J 0.9700 . ?
C00K C00Q 1.540(8) . ?
C00L H00K 0.9700 . ?
C00L H00L 0.9700 . ?
C00L C013 1.532(9) . ?
C00M H00M 0.9300 . ?
C00M C00W 1.401(9) . ?
C00N H00N 0.9300 . ?
C00N C00S 1.378(8) . ?
C00O H00O 0.9300 . ?
C00O C015 1.383(8) . ?
C00P H00P 0.9700 . ?
C00P H00Q 0.9700 . ?
C00P C01G 1.517(10) . ?
C00Q H00R 0.9800 . ?
C00Q C016 1.507(10) . ?
C00Q C017 1.548(9) . ?
C00R H00S 0.9800 . ?
C00R C00V 1.508(9) . ?
C00R C017 1.529(9) . ?
C00S C00W 1.399(9) . ?
C00S C019 1.508(8) . ?
C00T H00T 0.9800 . ?
C00T C00V 1.545(9) . ?
C00T C016 1.543(9) . ?
C00U H00U 0.9700 . ?
C00U H00V 0.9700 . ?
C00U C01I 1.534(8) . ?
C00V H00W 0.9700 . ?
C00V H00X 0.9700 . ?
C00W H00Y 0.9300 . ?
C00X H00Z 0.9700 . ?
C00X H 0.9700 . ?
C00X C01A 1.546(9) . ?
C00Y H00 0.9700 . ?
C00Y HA 0.9700 . ?
C00Y C01K 1.532(10) . ?
C00Z H1 0.9300 . ?
C00Z C01B 1.391(9) . ?
C010 H010 0.9300 . ?
C010 C014 1.384(8) . ?
C011 H011 0.9800 . ?
C011 C018 1.521(13) . ?
C011 C01C 1.524(12) . ?
C012 H012 0.9300 . ?
C012 C01H 1.380(8) . ?
C013 H013 0.9800 . ?
C013 C01C 1.517(10) . ?
C013 C01J 1.536(11) . ?
C014 C015 1.406(9) . ?
C014 C01E 1.501(8) . ?
C015 H015 0.9300 . ?
C016 H01A 0.9700 . ?
C016 H01B 0.9700 . ?
C017 H01C 0.9700 . ?
C017 H01D 0.9700 . ?
C018 H01E 0.9700 . ?
C018 H01F 0.9700 . ?
C018 C01G 1.560(13) . ?
C019 H01G 0.9600 . ?
C019 H01H 0.9600 . ?
C019 H01I 0.9600 . ?
C01A H01J 0.9800 . ?
C01A C01D 1.566(12) . ?
C01A C01N 1.532(11) . ?
C01B H01K 0.9300 . ?
C01B C01F 1.367(9) . ?
C01C H01L 0.9700 . ?
C01C H01M 0.9700 . ?
C01D H01N 0.9700 . ?
C01D H01O 0.9700 . ?
C01D C01K 1.522(11) . ?
C01E H01P 0.9600 . ?
C01E H01Q 0.9600 . ?
C01E H01R 0.9600 . ?
C01F C01H 1.384(10) . ?
C01F C01L 1.514(9) . ?
C01G H01S 0.9800 . ?
C01G C01J 1.526(11) . ?
C01H H01T 0.9300 . ?
C01I H01U 0.9800 . ?
C01I C01M 1.542(13) . ?
C01I C01N 1.508(11) . ?
C01J H01V 0.9700 . ?
C01J H01W 0.9700 . ?
C01K H01X 0.9800 . ?
C01K C01M 1.511(13) . ?
C01L H01Y 0.9600 . ?
C01L HB 0.9600 . ?
C01L HC 0.9600 . ?
C01M H01Z 0.9700 . ?
C01M HD 0.9700 . ?
C01N H01 0.9700 . ?
C01N HE 0.9700 . ?

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
Au01 Au01 Cu02 67.15(2) 2_566 . ?
Au01 Au01 Cu02 59.93(2) 2_566 2_566 ?
Au01 Au01 Cu03 64.07(3) 2_566 2_566 ?
Au01 Au01 Cu03 64.87(2) 2_566 . ?
Au01 Au01 Cu04 67.25(3) 2_566 . ?
Au01 Au01 Cu04 59.98(3) 2_566 2_566 ?
Cu02 Au01 Cu02 127.07(3) . 2_566 ?
Cu02 Au01 Cu03 53.52(2) . 2_566 ?
Cu02 Au01 Cu03 100.35(3) 2_566 2_566 ?
Cu02 Au01 Cu03 105.23(3) . . ?
Cu02 Au01 Cu03 52.10(2) 2_566 . ?
Cu02 Au01 Cu04 56.57(2) . . ?
Cu02 Au01 Cu04 100.48(3) . 2_566 ?
Cu02 Au01 Cu04 52.84(2) 2_566 2_566 ?
Cu03 Au01 Cu03 128.936(16) . 2_566 ?
Cu03 Au01 Cu04 101.05(2) . 2_566 ?
Cu04 Au01 Cu02 100.51(3) . 2_566 ?
Cu04 Au01 Cu03 53.51(3) . . ?
Cu04 Au01 Cu03 104.98(3) . 2_566 ?
Cu04 Au01 Cu03 51.67(3) 2_566 2_566 ?
Cu04 Au01 Cu04 127.223(17) . 2_566 ?
P008 Au01 Au01 176.93(3) . 2_566 ?
P008 Au01 Cu02 111.34(4) . . ?
P008 Au01 Cu02 121.52(4) . 2_566 ?
P008 Au01 Cu03 113.56(4) . . ?
P008 Au01 Cu03 117.45(4) . 2_566 ?
P008 Au01 Cu04 123.09(4) . 2_566 ?
P008 Au01 Cu04 109.69(4) . . ?
Au01 Cu02 Au01 52.93(3) . 2_566 ?
Cu03 Cu02 Au01 64.01(3) 2_566 2_566 ?
Cu03 Cu02 Au01 67.24(3) 2_566 . ?
Cu03 Cu02 Cu04 121.83(4) 2_566 . ?
Cu04 Cu02 Au01 61.85(3) . . ?
Cu04 Cu02 Au01 63.73(3) . 2_566 ?
S006 Cu02 Au01 112.06(5) . . ?
S006 Cu02 Au01 82.68(4) . 2_566 ?
S006 Cu02 Cu03 138.78(5) . 2_566 ?
S006 Cu02 Cu04 52.42(5) . . ?
S006 Cu02 S007 159.53(6) . 2_566 ?
S007 Cu02 Au01 87.60(5) 2_566 . ?
S007 Cu02 Au01 115.21(5) 2_566 2_566 ?
S007 Cu02 Cu03 53.10(5) 2_566 2_566 ?
S007 Cu02 Cu04 143.12(5) 2_566 . ?
Au01 Cu03 Au01 51.065(17) . 2_566 ?
Cu02 Cu03 Au01 59.24(3) 2_566 2_566 ?
Cu02 Cu03 Au01 63.89(3) 2_566 . ?
Cu04 Cu03 Au01 59.76(3) . . ?
Cu04 Cu03 Au01 63.87(3) . 2_566 ?
Cu04 Cu03 Cu02 116.64(3) . 2_566 ?
S005 Cu03 Au01 114.28(5) . 2_566 ?
S005 Cu03 Au01 80.10(4) . . ?
S005 Cu03 Cu02 137.61(5) . 2_566 ?
S005 Cu03 Cu04 53.46(5) . . ?
S007 Cu03 Au01 82.82(5) . 2_566 ?
S007 Cu03 Au01 115.57(5) . . ?
S007 Cu03 Cu02 53.59(5) . 2_566 ?
S007 Cu03 Cu04 140.21(5) . . ?
S007 Cu03 S005 162.47(6) . . ?
Au01 Cu04 Au01 52.778(17) . 2_566 ?
Cu02 Cu04 Au01 63.43(3) . 2_566 ?
Cu02 Cu04 Au01 61.58(3) . . ?
Cu03 Cu04 Au01 66.73(3) . . ?
Cu03 Cu04 Au01 64.46(3) . 2_566 ?
Cu03 Cu04 Cu02 121.52(4) . . ?
S005 Cu04 Au01 84.25(4) . . ?
S005 Cu04 Au01 114.72(5) . 2_566 ?
S005 Cu04 Cu02 138.73(5) . . ?
S005 Cu04 Cu03 53.33(5) . . ?
S006 Cu04 Au01 82.71(5) . 2_566 ?
S006 Cu04 Au01 112.26(5) . . ?
S006 Cu04 Cu02 52.89(5) . . ?
S006 Cu04 Cu03 139.47(5) . . ?
S006 Cu04 S005 161.65(6) . . ?
Cu03 S005 Cu04 73.21(6) . . ?
C00C S005 Cu03 109.23(17) . . ?
C00C S005 Cu04 110.13(18) . . ?
Cu04 S006 Cu02 74.68(5) . . ?
C009 S006 Cu02 107.57(19) . . ?
C009 S006 Cu04 107.35(19) . . ?
Cu03 S007 Cu02 73.31(5) . 2_566 ?
C00E S007 Cu02 108.84(18) . 2_566 ?
C00E S007 Cu03 107.51(19) . . ?
C00B P008 Au01 114.42(16) . . ?
C00F P008 Au01 114.56(17) . . ?
C00F P008 C00B 104.5(2) . . ?
C00G P008 Au01 113.36(17) . . ?
C00G P008 C00B 106.4(2) . . ?
C00G P008 C00F 102.4(2) . . ?
C00I C009 S006 112.7(4) . . ?
C00I C009 C00L 108.1(5) . . ?
C00L C009 S006 107.8(4) . . ?
C00P C009 S006 108.9(4) . . ?
C00P C009 C00I 110.5(6) . . ?
C00P C009 C00L 108.7(5) . . ?
C00B C00A H00A 119.7 . . ?
C00N C00A H00A 119.7 . . ?
C00N C00A C00B 120.6(5) . . ?
C00A C00B P008 123.2(4) . . ?
C00M C00B P008 118.2(4) . . ?
C00M C00B C00A 118.3(5) . . ?
C00D C00C S005 113.2(4) . . ?
C00D C00C C00K 109.3(4) . . ?
C00J C00C S005 107.7(4) . . ?
C00J C00C C00D 110.3(4) . . ?
C00J C00C C00K 108.3(4) . . ?
C00K C00C S005 107.9(4) . . ?
C00C C00D H00B 109.9 . . ?
C00C C00D H00C 109.9 . . ?
C00C C00D C00R 109.1(4) . . ?
H00B C00D H00C 108.3 . . ?
C00R C00D H00B 109.9 . . ?
C00R C00D H00C 109.9 . . ?
C00U C00E S007 112.7(4) . . ?
C00X C00E S007 108.2(4) . . ?
C00X C00E C00U 108.9(5) . . ?
C00X C00E C00Y 109.5(5) . . ?
C00Y C00E S007 108.7(4) . . ?
C00Y C00E C00U 109.0(5) . . ?
C00Z C00F P008 121.4(4) . . ?
C012 C00F P008 119.9(4) . . ?
C012 C00F C00Z 118.5(5) . . ?
C00H C00G P008 118.3(4) . . ?
C00O C00G P008 123.3(4) . . ?
C00O C00G C00H 117.9(5) . . ?
C00G C00H H00H 119.7 . . ?
C010 C00H C00G 120.6(5) . . ?
C010 C00H H00H 119.7 . . ?
C009 C00I H00D 109.7 . . ?
C009 C00I H00E 109.7 . . ?
C009 C00I C011 109.8(5) . . ?
H00D C00I H00E 108.2 . . ?
C011 C00I H00D 109.7 . . ?
C011 C00I H00E 109.7 . . ?
C00C C00J H00F 109.6 . . ?
C00C C00J H00G 109.6 . . ?
C00C C00J C00T 110.1(5) . . ?
H00F C00J H00G 108.1 . . ?
C00T C00J H00F 109.6 . . ?
C00T C00J H00G 109.6 . . ?
C00C C00K H00I 109.9 . . ?
C00C C00K H00J 109.9 . . ?
H00I C00K H00J 108.3 . . ?
C00Q C00K C00C 109.0(5) . . ?
C00Q C00K H00I 109.9 . . ?
C00Q C00K H00J 109.9 . . ?
C009 C00L H00K 109.7 . . ?
C009 C00L H00L 109.7 . . ?
C009 C00L C013 110.0(5) . . ?
H00K C00L H00L 108.2 . . ?
C013 C00L H00K 109.7 . . ?
C013 C00L H00L 109.7 . . ?
C00B C00M H00M 120.0 . . ?
C00B C00M C00W 120.1(6) . . ?
C00W C00M H00M 120.0 . . ?
C00A C00N H00N 118.7 . . ?
C00A C00N C00S 122.6(6) . . ?
C00S C00N H00N 118.7 . . ?
C00G C00O H00O 119.1 . . ?
C015 C00O C00G 121.8(5) . . ?
C015 C00O H00O 119.1 . . ?
C009 C00P H00P 109.5 . . ?
C009 C00P H00Q 109.5 . . ?
C009 C00P C01G 110.8(6) . . ?
H00P C00P H00Q 108.1 . . ?
C01G C00P H00P 109.5 . . ?
C01G C00P H00Q 109.5 . . ?
C00K C00Q H00R 109.2 . . ?
C00K C00Q C017 108.0(5) . . ?
C016 C00Q C00K 111.1(5) . . ?
C016 C00Q H00R 109.2 . . ?
C016 C00Q C017 110.1(6) . . ?
C017 C00Q H00R 109.2 . . ?
C00D C00R H00S 109.0 . . ?
C00V C00R C00D 111.3(5) . . ?
C00V C00R H00S 109.0 . . ?
C00V C00R C017 109.4(5) . . ?
C017 C00R C00D 109.1(5) . . ?
C017 C00R H00S 109.0 . . ?
C00N C00S C00W 117.0(5) . . ?
C00N C00S C019 123.0(6) . . ?
C00W C00S C019 120.0(6) . . ?
C00J C00T H00T 109.7 . . ?
C00V C00T C00J 109.6(5) . . ?
C00V C00T H00T 109.7 . . ?
C016 C00T C00J 108.2(5) . . ?
C016 C00T H00T 109.7 . . ?
C016 C00T C00V 109.9(6) . . ?
C00E C00U H00U 109.7 . . ?
C00E C00U H00V 109.7 . . ?
C00E C00U C01I 109.9(5) . . ?
H00U C00U H00V 108.2 . . ?
C01I C00U H00U 109.7 . . ?
C01I C00U H00V 109.7 . . ?
C00R C00V C00T 109.2(5) . . ?
C00R C00V H00W 109.8 . . ?
C00R C00V H00X 109.8 . . ?
C00T C00V H00W 109.8 . . ?
C00T C00V H00X 109.8 . . ?
H00W C00V H00X 108.3 . . ?
C00M C00W H00Y 119.3 . . ?
C00S C00W C00M 121.3(6) . . ?
C00S C00W H00Y 119.3 . . ?
C00E C00X H00Z 109.7 . . ?
C00E C00X H 109.7 . . ?
C00E C00X C01A 109.7(5) . . ?
H00Z C00X H 108.2 . . ?
C01A C00X H00Z 109.7 . . ?
C01A C00X H 109.7 . . ?
C00E C00Y H00 109.6 . . ?
C00E C00Y HA 109.6 . . ?
C00E C00Y C01K 110.3(6) . . ?
H00 C00Y HA 108.1 . . ?
C01K C00Y H00 109.6 . . ?
C01K C00Y HA 109.6 . . ?
C00F C00Z H1 120.3 . . ?
C00F C00Z C01B 119.5(6) . . ?
C01B C00Z H1 120.3 . . ?
C00H C010 H010 119.1 . . ?
C014 C010 C00H 121.7(6) . . ?
C014 C010 H010 119.1 . . ?
C00I C011 H011 109.2 . . ?
C018 C011 C00I 107.0(7) . . ?
C018 C011 H011 109.2 . . ?
C018 C011 C01C 111.5(8) . . ?
C01C C011 C00I 110.8(7) . . ?
C01C C011 H011 109.2 . . ?
C00F C012 H012 119.6 . . ?
C01H C012 C00F 120.7(6) . . ?
C01H C012 H012 119.6 . . ?
C00L C013 H013 109.0 . . ?
C00L C013 C01J 109.5(6) . . ?
C01C C013 C00L 108.8(5) . . ?
C01C C013 H013 109.0 . . ?
C01C C013 C01J 111.7(7) . . ?
C01J C013 H013 109.0 . . ?
C010 C014 C015 117.8(5) . . ?
C010 C014 C01E 121.5(6) . . ?
C015 C014 C01E 120.6(6) . . ?
C00O C015 C014 120.0(6) . . ?
C00O C015 H015 120.0 . . ?
C014 C015 H015 120.0 . . ?
C00Q C016 C00T 108.9(5) . . ?
C00Q C016 H01A 109.9 . . ?
C00Q C016 H01B 109.9 . . ?
C00T C016 H01A 109.9 . . ?
C00T C016 H01B 109.9 . . ?
H01A C016 H01B 108.3 . . ?
C00Q C017 H01C 109.8 . . ?
C00Q C017 H01D 109.8 . . ?
C00R C017 C00Q 109.5(5) . . ?
C00R C017 H01C 109.8 . . ?
C00R C017 H01D 109.8 . . ?
H01C C017 H01D 108.2 . . ?
C011 C018 H01E 109.5 . . ?
C011 C018 H01F 109.5 . . ?
C011 C018 C01G 110.7(7) . . ?
H01E C018 H01F 108.1 . . ?
C01G C018 H01E 109.5 . . ?
C01G C018 H01F 109.5 . . ?
C00S C019 H01G 109.5 . . ?
C00S C019 H01H 109.5 . . ?
C00S C019 H01I 109.5 . . ?
H01G C019 H01H 109.5 . . ?
H01G C019 H01I 109.5 . . ?
H01H C019 H01I 109.5 . . ?
C00X C01A H01J 109.7 . . ?
C00X C01A C01D 108.3(6) . . ?
C01D C01A H01J 109.7 . . ?
C01N C01A C00X 109.1(6) . . ?
C01N C01A H01J 109.7 . . ?
C01N C01A C01D 110.3(7) . . ?
C00Z C01B H01K 118.9 . . ?
C01F C01B C00Z 122.2(6) . . ?
C01F C01B H01K 118.9 . . ?
C011 C01C H01L 110.2 . . ?
C011 C01C H01M 110.2 . . ?
C013 C01C C011 107.7(6) . . ?
C013 C01C H01L 110.2 . . ?
C013 C01C H01M 110.2 . . ?
H01L C01C H01M 108.5 . . ?
C01A C01D H01N 109.9 . . ?
C01A C01D H01O 109.9 . . ?
H01N C01D H01O 108.3 . . ?
C01K C01D C01A 108.8(6) . . ?
C01K C01D H01N 109.9 . . ?
C01K C01D H01O 109.9 . . ?
C014 C01E H01P 109.5 . . ?
C014 C01E H01Q 109.5 . . ?
C014 C01E H01R 109.5 . . ?
H01P C01E H01Q 109.5 . . ?
H01P C01E H01R 109.5 . . ?
H01Q C01E H01R 109.5 . . ?
C01B C01F C01H 117.8(6) . . ?
C01B C01F C01L 122.0(6) . . ?
C01H C01F C01L 120.1(7) . . ?
C00P C01G C018 107.8(7) . . ?
C00P C01G H01S 110.4 . . ?
C00P C01G C01J 109.7(7) . . ?
C018 C01G H01S 110.4 . . ?
C01J C01G C018 108.1(8) . . ?
C01J C01G H01S 110.4 . . ?
C012 C01H C01F 121.2(6) . . ?
C012 C01H H01T 119.4 . . ?
C01F C01H H01T 119.4 . . ?
C00U C01I H01U 109.3 . . ?
C00U C01I C01M 109.1(7) . . ?
C01M C01I H01U 109.3 . . ?
C01N C01I C00U 109.1(7) . . ?
C01N C01I H01U 109.3 . . ?
C01N C01I C01M 110.7(7) . . ?
C013 C01J H01V 109.8 . . ?
C013 C01J H01W 109.8 . . ?
C01G C01J C013 109.4(6) . . ?
C01G C01J H01V 109.8 . . ?
C01G C01J H01W 109.8 . . ?
H01V C01J H01W 108.2 . . ?
C00Y C01K H01X 109.3 . . ?
C01D C01K C00Y 109.4(7) . . ?
C01D C01K H01X 109.3 . . ?
C01M C01K C00Y 109.3(6) . . ?
C01M C01K C01D 110.3(8) . . ?
C01M C01K H01X 109.3 . . ?
C01F C01L H01Y 109.5 . . ?
C01F C01L HB 109.5 . . ?
C01F C01L HC 109.5 . . ?
H01Y C01L HB 109.5 . . ?
H01Y C01L HC 109.5 . . ?
HB C01L HC 109.5 . . ?
C01I C01M H01Z 109.8 . . ?
C01I C01M HD 109.8 . . ?
C01K C01M C01I 109.6(7) . . ?
C01K C01M H01Z 109.8 . . ?
C01K C01M HD 109.8 . . ?
H01Z C01M HD 108.2 . . ?
C01A C01N H01 109.8 . . ?
C01A C01N HE 109.8 . . ?
C01I C01N C01A 109.3(7) . . ?
C01I C01N H01 109.8 . . ?
C01I C01N HE 109.8 . . ?
H01 C01N HE 108.3 . . ?

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
Au01 P008 C00B C00A 90.9(4) . . . . ?
Au01 P008 C00B C00M -83.3(4) . . . . ?
Au01 P008 C00F C00Z 171.2(5) . . . . ?
Au01 P008 C00F C012 -13.7(5) . . . . ?
Au01 P008 C00G C00H 20.4(5) . . . . ?
Au01 P008 C00G C00O -167.3(4) . . . . ?
Cu02 S006 C009 C00I -48.3(5) . . . . ?
Cu02 S006 C009 C00L -167.5(3) . . . . ?
Cu02 S006 C009 C00P 74.7(4) . . . . ?
Cu02 S007 C00E C00U 36.7(5) 2_566 . . . ?
Cu02 S007 C00E C00X 157.0(4) 2_566 . . . ?
Cu02 S007 C00E C00Y -84.2(4) 2_566 . . . ?
Cu03 S005 C00C C00D -40.1(4) . . . . ?
Cu03 S005 C00C C00J 82.2(4) . . . . ?
Cu03 S005 C00C C00K -161.1(3) . . . . ?
Cu03 S007 C00E C00U -41.2(5) . . . . ?
Cu03 S007 C00E C00X 79.2(4) . . . . ?
Cu03 S007 C00E C00Y -162.0(4) . . . . ?
Cu04 S005 C00C C00D 38.5(4) . . . . ?
Cu04 S005 C00C C00J 160.8(3) . . . . ?
Cu04 S005 C00C C00K -82.5(4) . . . . ?
Cu04 S006 C009 C00I 30.7(5) . . . . ?
Cu04 S006 C009 C00L -88.5(4) . . . . ?
Cu04 S006 C009 C00P 153.7(4) . . . . ?
S005 C00C C00D C00R 179.1(4) . . . . ?
S005 C00C C00J C00T 177.6(4) . . . . ?
S005 C00C C00K C00Q -175.4(4) . . . . ?
S006 C009 C00I C011 -177.6(6) . . . . ?
S006 C009 C00L C013 -177.4(4) . . . . ?
S006 C009 C00P C01G 177.2(5) . . . . ?
S007 C00E C00U C01I 179.9(5) . . . . ?
S007 C00E C00X C01A 178.2(5) . . . . ?
S007 C00E C00Y C01K -177.5(5) . . . . ?
P008 C00B C00M C00W 175.1(5) . . . . ?
P008 C00F C00Z C01B 172.6(5) . . . . ?
P008 C00F C012 C01H -174.4(6) . . . . ?
P008 C00G C00H C010 170.7(5) . . . . ?
P008 C00G C00O C015 -169.4(5) . . . . ?
C009 C00I C011 C018 -61.5(9) . . . . ?
C009 C00I C011 C01C 60.2(9) . . . . ?
C009 C00L C013 C01C -62.8(7) . . . . ?
C009 C00L C013 C01J 59.5(7) . . . . ?
C009 C00P C01G C018 57.3(9) . . . . ?
C009 C00P C01G C01J -60.2(9) . . . . ?
C00A C00B C00M C00W 0.5(8) . . . . ?
C00A C00N C00S C00W 2.8(9) . . . . ?
C00A C00N C00S C019 -177.7(6) . . . . ?
C00B P008 C00F C00Z 45.2(6) . . . . ?
C00B P008 C00F C012 -139.8(5) . . . . ?
C00B P008 C00G C00H 147.1(4) . . . . ?
C00B P008 C00G C00O -40.7(5) . . . . ?
C00B C00A C00N C00S 0.4(9) . . . . ?
C00B C00M C00W C00S 2.8(10) . . . . ?
C00C C00D C00R C00V -59.8(7) . . . . ?
C00C C00D C00R C017 60.9(6) . . . . ?
C00C C00J C00T C00V 58.0(7) . . . . ?
C00C C00J C00T C016 -61.7(6) . . . . ?
C00C C00K C00Q C016 60.0(6) . . . . ?
C00C C00K C00Q C017 -60.8(7) . . . . ?
C00D C00C C00J C00T -58.4(6) . . . . ?
C00D C00C C00K C00Q 61.2(6) . . . . ?
C00D C00R C00V C00T 60.0(7) . . . . ?
C00D C00R C017 C00Q -61.6(7) . . . . ?
C00E C00U C01I C01M 59.7(8) . . . . ?
C00E C00U C01I C01N -61.3(9) . . . . ?
C00E C00X C01A C01D -60.5(7) . . . . ?
C00E C00X C01A C01N 59.7(8) . . . . ?
C00E C00Y C01K C01D 60.5(9) . . . . ?
C00E C00Y C01K C01M -60.3(9) . . . . ?
C00F P008 C00B C00A -143.0(4) . . . . ?
C00F P008 C00B C00M 42.8(5) . . . . ?
C00F P008 C00G C00H -103.5(4) . . . . ?
C00F P008 C00G C00O 68.7(5) . . . . ?
C00F C00Z C01B C01F 1.4(12) . . . . ?
C00F C012 C01H C01F 2.1(12) . . . . ?
C00G P008 C00B C00A -35.0(5) . . . . ?
C00G P008 C00B C00M 150.7(4) . . . . ?
C00G P008 C00F C00Z -65.6(5) . . . . ?
C00G P008 C00F C012 109.4(5) . . . . ?
C00G C00H C010 C014 -1.0(10) . . . . ?
C00G C00O C015 C014 -0.8(10) . . . . ?
C00H C00G C00O C015 2.9(9) . . . . ?
C00H C010 C014 C015 3.0(10) . . . . ?
C00H C010 C014 C01E -175.7(6) . . . . ?
C00I C009 C00L C013 60.5(7) . . . . ?
C00I C009 C00P C01G -58.5(7) . . . . ?
C00I C011 C018 C01G 62.5(9) . . . . ?
C00I C011 C01C C013 -60.8(9) . . . . ?
C00J C00C C00D C00R 58.3(6) . . . . ?
C00J C00C C00K C00Q -59.1(6) . . . . ?
C00J C00T C00V C00R -58.4(7) . . . . ?
C00J C00T C016 C00Q 60.1(7) . . . . ?
C00K C00C C00D C00R -60.7(6) . . . . ?
C00K C00C C00J C00T 61.2(6) . . . . ?
C00K C00Q C016 C00T -60.5(7) . . . . ?
C00K C00Q C017 C00R 61.5(7) . . . . ?
C00L C009 C00I C011 -58.5(8) . . . . ?
C00L C009 C00P C01G 59.9(7) . . . . ?
C00L C013 C01C C011 61.3(9) . . . . ?
C00L C013 C01J C01G -58.8(8) . . . . ?
C00N C00A C00B P008 -176.3(4) . . . . ?
C00N C00A C00B C00M -2.1(8) . . . . ?
C00N C00S C00W C00M -4.4(9) . . . . ?
C00O C00G C00H C010 -2.0(8) . . . . ?
C00P C009 C00I C011 60.3(8) . . . . ?
C00P C009 C00L C013 -59.5(6) . . . . ?
C00P C01G C01J C013 58.9(9) . . . . ?
C00U C00E C00X C01A -59.1(7) . . . . ?
C00U C00E C00Y C01K 59.4(7) . . . . ?
C00U C01I C01M C01K -60.2(9) . . . . ?
C00U C01I C01N C01A 61.4(9) . . . . ?
C00V C00R C017 C00Q 60.3(7) . . . . ?
C00V C00T C016 C00Q -59.4(6) . . . . ?
C00X C00E C00U C01I 60.0(7) . . . . ?
C00X C00E C00Y C01K -59.5(7) . . . . ?
C00X C01A C01D C01K 61.0(9) . . . . ?
C00X C01A C01N C01I -60.7(9) . . . . ?
C00Y C00E C00U C01I -59.3(7) . . . . ?
C00Y C00E C00X C01A 59.9(7) . . . . ?
C00Y C01K C01M C01I 60.2(9) . . . . ?
C00Z C00F C012 C01H 0.8(10) . . . . ?
C00Z C01B C01F C01H 1.5(12) . . . . ?
C00Z C01B C01F C01L -179.2(8) . . . . ?
C010 C014 C015 C00O -2.1(10) . . . . ?
C011 C018 C01G C00P -60.6(9) . . . . ?
C011 C018 C01G C01J 57.8(9) . . . . ?
C012 C00F C00Z C01B -2.5(10) . . . . ?
C016 C00Q C017 C00R -60.0(7) . . . . ?
C016 C00T C00V C00R 60.3(7) . . . . ?
C017 C00Q C016 C00T 59.1(7) . . . . ?
C017 C00R C00V C00T -60.6(7) . . . . ?
C018 C011 C01C C013 58.2(9) . . . . ?
C018 C01G C01J C013 -58.3(8) . . . . ?
C019 C00S C00W C00M 176.1(6) . . . . ?
C01A C01D C01K C00Y -60.9(9) . . . . ?
C01A C01D C01K C01M 59.3(8) . . . . ?
C01B C01F C01H C012 -3.3(12) . . . . ?
C01C C011 C018 C01G -58.8(9) . . . . ?
C01C C013 C01J C01G 61.7(8) . . . . ?
C01D C01A C01N C01I 58.2(8) . . . . ?
C01D C01K C01M C01I -60.1(8) . . . . ?
C01E C014 C015 C00O 176.6(6) . . . . ?
C01J C013 C01C C011 -59.6(8) . . . . ?
C01L C01F C01H C012 177.5(8) . . . . ?
C01M C01I C01N C01A -58.7(8) . . . . ?
C01N C01A C01D C01K -58.4(8) . . . . ?
C01N C01I C01M C01K 59.8(8) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.687 -0.175 0.000 1130.3 71.6 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_exptl_crystal_mounting_method 
;
;
_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    Air-sensitive,Heat-sensitive
