# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2025

####################################################################### 
# 
# 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_an-cf3-au3
_database_code_depnum_ccdc_archive 'CCDC 2446614'
loop_
_audit_author_name
_audit_author_address
'shangfu Yuan'
;JiNan University
China
;
_audit_update_record             
;
2025-04-25 deposited with the CCDC.	2025-06-17 downloaded from the CCDC.
;
_audit_creation_date             2025-04-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.16 svn.ra9532c28 for OlexSys, GUI svn.r6427)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '2(C54 H30 Au3 F9 N6), 3(C H2 Cl2)'
_chemical_formula_sum            'C111 H66 Au6 Cl6 F18 N12'
_chemical_formula_weight         3304.26
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Au C N H F '
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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'

_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_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   14.1872(5)
_cell_length_b                   15.2316(5)
_cell_length_c                   15.6241(5)
_cell_angle_alpha                117.120(3)
_cell_angle_beta                 96.663(3)
_cell_angle_gamma                111.699(3)
_cell_volume                     2621.60(15)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    7407
_cell_measurement_temperature    100.0(3)
_cell_measurement_theta_max      76.7030
_cell_measurement_theta_min      3.3930
_exptl_absorpt_coefficient_mu    17.543
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.23461
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.093
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1554
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0604
_diffrn_reflns_av_unetI/netI     0.0659
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19118
_diffrn_reflns_theta_full        67.50
_diffrn_reflns_theta_max         67.50
_diffrn_reflns_theta_min         3.38
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(3)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -24.00  43.00   0.50    0.69    --   -2.20  38.00 150.00  134
  2  ω     59.00  87.00   0.50    0.69    --   -2.20  38.00 150.00   56
  3  ω     -8.00  34.00   0.50    0.69    --    2.20  82.00-180.00   84
  4  ω    -40.00  29.00   0.50    0.69    --    2.20 -77.00 -30.00  138
  5  ω    -25.00  90.00   0.50    0.69    --    2.20  19.00 -60.00  230
  6  ω     18.00 103.00   0.50    2.76    --  106.30 -57.00 -30.00  170
  7  ω     83.00 137.00   0.50    2.76    --  106.30 -77.00 150.00  108
  8  ω     17.00 115.00   0.50    2.76    --  106.30 -38.00 120.00  196
  9  ω     50.00  78.00   0.50    2.76    --  106.30 -82.00-180.00   56
 10  ω     40.00 140.00   0.50    2.76    --  106.30 -82.00  90.00  200
 11  ω     88.00 140.00   0.50    2.76    --  106.30 -82.00-180.00  104
 12  ω    106.00 133.00   0.50    2.76    --  106.30  38.00-150.00   54
 13  ω    134.00 190.00   0.50    2.76    --  106.30  38.00-150.00  112
 14  ω     31.00  76.00   0.50    2.76    --  106.30 -77.00 150.00   90
 15  ω     78.00 190.00   0.50    2.76    --  106.30  19.00 -30.00  224
 16  ω    106.00 131.00   0.50    2.76    --  106.30 -57.00 -30.00   50
 17  ω     83.00 192.00   0.50    2.76    --  106.30  19.00 -90.00  218
 18  ω     28.00 140.00   0.50    2.76    --  106.30 -82.00 -30.00  224
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0768123000
_diffrn_orient_matrix_UB_12      -0.0349985000
_diffrn_orient_matrix_UB_13      0.0371398000
_diffrn_orient_matrix_UB_21      -0.0027971000
_diffrn_orient_matrix_UB_22      0.0622688000
_diffrn_orient_matrix_UB_23      0.1090263000
_diffrn_orient_matrix_UB_31      -0.0979043000
_diffrn_orient_matrix_UB_32      -0.1078733000
_diffrn_orient_matrix_UB_33      -0.0255948000
_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 (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                7875
_reflns_number_total             9298
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XH  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         4.296
_refine_diff_density_min         -3.085
_refine_diff_density_rms         0.366
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     703
_refine_ls_number_reflns         9298
_refine_ls_number_restraints     426
_refine_ls_R_factor_all          0.1024
_refine_ls_R_factor_gt           0.0849
_refine_ls_restrained_S_all      1.108
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0516P)²+238.5527P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2299
_refine_ls_wR_factor_ref         0.2368
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
F4 \\sim F5 \\sim F6 \\sim N3 \\sim N4 \\sim C4 \\sim C5 \\sim C6 \\sim C11:
within 2A with sigma of 0.001 and sigma for terminal atoms of 0.002 within 2A
F7 \\sim F8 \\sim F9 \\sim N5 \\sim N6 \\sim C7 \\sim C8 \\sim C9 \\sim C12:
within 2A with sigma of 0.001 and sigma for terminal atoms of 0.002 within 2A
C41 \\sim C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim
C49 \\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54: within 2A with sigma of
0.001 and sigma for terminal atoms of 0.002 within 2A
C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17 \\sim C18 \\sim C19 \\sim C20 \\sim
C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25 \\sim C26: within 2A with sigma of
0.001 and sigma for terminal atoms of 0.002 within 2A
C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33 \\sim C34 \\sim
C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40: within 2A with sigma of
0.001 and sigma for terminal atoms of 0.002 within 2A
N2 \\sim N1 \\sim C1 \\sim C2 \\sim C3: within 2A with sigma of 0.001 and sigma
for terminal atoms of 0.002 within 2A
3. Others
 Fixed Sof: Cl3(0.5) Cl4(0.5) C56(0.5) H56A(0.5) H56B(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C55(H55A,H55B), C56(H56A,H56B)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C5(H5), C8(H8), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20),
 C22(H22), C23(H23), C24(H24), C25(H25), C29(H29), C30(H30), C31(H31), C32(H32),
  C34(H34), C36(H36), C37(H37), C38(H38), C39(H39), C43(H43), C44(H44),
 C45(H45), C46(H46), C48(H48), C50(H50), C51(H51), C52(H52), C53(H53)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.06458(7) 0.36298(6) 0.12570(6) 0.0274(2) Uani 1 1 d . . .
Au2 Au 0.23977(7) 0.57603(7) 0.35748(6) 0.0295(2) Uani 1 1 d . . .
Au3 Au 0.33706(7) 0.46857(6) 0.17440(6) 0.0270(2) Uani 1 1 d . . .
F1 F 0.0123(13) 0.6464(17) 0.5507(12) 0.094(8) Uani 1 1 d . . .
F2 F 0.1358(14) 0.7454(13) 0.5120(11) 0.068(5) Uani 1 1 d . . .
F3 F 0.1563(13) 0.6334(13) 0.5490(11) 0.070(5) Uani 1 1 d . . .
F4 F 0.6883(11) 0.7515(11) 0.3052(10) 0.045(2) Uani 1 1 d U . .
F5 F 0.6949(11) 0.6357(11) 0.3411(10) 0.044(2) Uani 1 1 d U . .
F6 F 0.5794(11) 0.5745(11) 0.2028(10) 0.047(2) Uani 1 1 d U . .
F7 F 0.4119(10) 0.3886(10) -0.0373(9) 0.0375(19) Uani 1 1 d U . .
F8 F 0.4133(10) 0.2907(10) 0.0264(9) 0.0370(19) Uani 1 1 d U . .
F9 F 0.3505(10) 0.2118(10) -0.1364(9) 0.0390(19) Uani 1 1 d U . .
N1 N 0.0110(15) 0.4341(15) 0.2372(13) 0.035(2) Uani 1 1 d U . .
N2 N 0.0830(15) 0.5233(15) 0.3336(13) 0.035(2) Uani 1 1 d U . .
N3 N 0.3974(15) 0.6383(15) 0.3854(14) 0.0378(17) Uani 1 1 d U . .
N4 N 0.4405(15) 0.6039(16) 0.3097(14) 0.0381(17) Uani 1 1 d U . .
N5 N 0.2306(15) 0.3324(14) 0.0375(13) 0.0330(16) Uani 1 1 d U . .
N6 N 0.1247(15) 0.2977(14) 0.0183(13) 0.0328(16) Uani 1 1 d U . .
C1 C -0.0873(18) 0.4159(18) 0.2383(15) 0.035(2) Uani 1 1 d U . .
C2 C -0.0845(19) 0.4900(18) 0.3359(15) 0.035(2) Uani 1 1 d U . .
H2 H -0.1410 0.4970 0.3576 0.042 Uiso 1 1 calc R . .
C3 C 0.0254(18) 0.5497(18) 0.3908(16) 0.035(2) Uani 1 1 d U . .
C4 C 0.4772(19) 0.7255(19) 0.4737(17) 0.0379(17) Uani 1 1 d U . .
C5 C 0.5708(19) 0.7438(19) 0.4559(17) 0.0385(17) Uani 1 1 d U . .
H5 H 0.6392 0.7979 0.5044 0.046 Uiso 1 1 calc R . .
C6 C 0.5492(19) 0.6707(19) 0.3558(17) 0.0392(16) Uani 1 1 d U . .
C7 C 0.2432(18) 0.2670(17) -0.0471(16) 0.0338(15) Uani 1 1 d U . .
C8 C 0.1463(17) 0.1890(17) -0.1240(16) 0.0332(16) Uani 1 1 d U . .
H8 H 0.1322 0.1354 -0.1915 0.040 Uiso 1 1 calc R . .
C9 C 0.0744(18) 0.2098(17) -0.0760(16) 0.0327(16) Uani 1 1 d U . .
C10 C 0.082(2) 0.646(2) 0.5023(18) 0.055(7) Uani 1 1 d . . .
C11 C 0.624(2) 0.658(2) 0.3010(18) 0.0417(16) Uani 1 1 d U . .
C12 C 0.3554(18) 0.2920(18) -0.0486(17) 0.0354(14) Uani 1 1 d U . .
C13 C -0.1839(19) 0.3228(18) 0.1413(17) 0.0364(15) Uani 1 1 d U . .
C14 C -0.2140(19) 0.2123(18) 0.1089(17) 0.0367(15) Uani 1 1 d U . .
C15 C -0.1617(19) 0.1782(19) 0.1621(17) 0.0371(16) Uani 1 1 d U . .
H15 H -0.1033 0.2329 0.2227 0.044 Uiso 1 1 calc R . .
C16 C -0.1947(19) 0.0689(18) 0.1266(17) 0.0374(17) Uani 1 1 d U . .
H16 H -0.1564 0.0500 0.1615 0.045 Uiso 1 1 calc R . .
C17 C -0.2892(19) -0.0205(19) 0.0347(17) 0.0377(17) Uani 1 1 d U . .
H17 H -0.3126 -0.0958 0.0113 0.045 Uiso 1 1 calc R . .
C18 C -0.3404(19) 0.0098(19) -0.0139(17) 0.0376(16) Uani 1 1 d U . .
H18 H -0.4016 -0.0461 -0.0718 0.045 Uiso 1 1 calc R . .
C19 C -0.3064(19) 0.1241(18) 0.0180(17) 0.0370(15) Uani 1 1 d U . .
C20 C -0.3629(19) 0.1513(19) -0.0365(17) 0.0369(15) Uani 1 1 d U . .
H20 H -0.4224 0.0940 -0.0955 0.044 Uiso 1 1 calc R . .
C21 C -0.3320(19) 0.2621(18) -0.0044(17) 0.0367(15) Uani 1 1 d U . .
C22 C -0.3850(19) 0.2935(19) -0.0592(17) 0.0369(16) Uani 1 1 d U . .
H22 H -0.4433 0.2373 -0.1195 0.044 Uiso 1 1 calc R . .
C23 C -0.3547(19) 0.4000(18) -0.0277(17) 0.0368(17) Uani 1 1 d U . .
H23 H -0.3937 0.4167 -0.0644 0.044 Uiso 1 1 calc R . .
C24 C -0.2621(18) 0.4897(19) 0.0626(17) 0.0368(17) Uani 1 1 d U . .
H24 H -0.2405 0.5640 0.0835 0.044 Uiso 1 1 calc R . .
C25 C -0.2068(19) 0.4653(19) 0.1167(17) 0.0367(16) Uani 1 1 d U . .
H25 H -0.1468 0.5237 0.1749 0.044 Uiso 1 1 calc R . .
C26 C -0.2380(19) 0.3518(18) 0.0870(17) 0.0365(15) Uani 1 1 d U . .
C27 C 0.4462(18) 0.7716(18) 0.5677(16) 0.0340(15) Uani 1 1 d U . .
C28 C 0.4190(18) 0.8572(18) 0.5921(16) 0.0341(15) Uani 1 1 d U . .
C29 C 0.4111(17) 0.8989(17) 0.5284(16) 0.0342(16) Uani 1 1 d U . .
H29 H 0.4260 0.8696 0.4680 0.041 Uiso 1 1 calc R . .
C30 C 0.3823(17) 0.9803(17) 0.5536(16) 0.0345(16) Uani 1 1 d U . .
H30 H 0.3809 1.0089 0.5122 0.041 Uiso 1 1 calc R . .
C31 C 0.3541(18) 1.0227(18) 0.6430(16) 0.0346(16) Uani 1 1 d U . .
H31 H 0.3284 1.0740 0.6571 0.042 Uiso 1 1 calc R . .
C32 C 0.3651(18) 0.9875(18) 0.7075(16) 0.0345(16) Uani 1 1 d U . .
H32 H 0.3542 1.0214 0.7695 0.041 Uiso 1 1 calc R . .
C33 C 0.3924(18) 0.9012(18) 0.6833(16) 0.0343(15) Uani 1 1 d U . .
C34 C 0.3950(17) 0.8577(17) 0.7446(16) 0.0342(15) Uani 1 1 d U . .
H34 H 0.3787 0.8872 0.8041 0.041 Uiso 1 1 calc R . .
C35 C 0.4212(18) 0.7714(18) 0.7196(16) 0.0342(15) Uani 1 1 d U . .
C36 C 0.4204(18) 0.7243(17) 0.7811(16) 0.0344(16) Uani 1 1 d U . .
H36 H 0.4045 0.7537 0.8408 0.041 Uiso 1 1 calc R . .
C37 C 0.4423(17) 0.6379(17) 0.7537(16) 0.0345(16) Uani 1 1 d U . .
H37 H 0.4428 0.6096 0.7953 0.041 Uiso 1 1 calc R . .
C38 C 0.4644(17) 0.5908(18) 0.6624(16) 0.0345(16) Uani 1 1 d U . .
H38 H 0.4766 0.5296 0.6429 0.041 Uiso 1 1 calc R . .
C39 C 0.4681(17) 0.6338(17) 0.6017(16) 0.0342(16) Uani 1 1 d U . .
H39 H 0.4851 0.6033 0.5428 0.041 Uiso 1 1 calc R . .
C40 C 0.4460(18) 0.7249(17) 0.6290(16) 0.0340(15) Uani 1 1 d U . .
C41 C -0.0464(19) 0.1456(19) -0.1261(17) 0.0391(16) Uani 1 1 d U . .
C42 C -0.1017(19) 0.0327(19) -0.1491(17) 0.0396(16) Uani 1 1 d U . .
C43 C -0.048(2) -0.0173(19) -0.1219(17) 0.0402(17) Uani 1 1 d U . .
H43 H 0.0261 0.0225 -0.0886 0.048 Uiso 1 1 calc R . .
C44 C -0.1067(19) -0.1268(19) -0.1448(17) 0.0406(17) Uani 1 1 d U . .
H44 H -0.0704 -0.1585 -0.1259 0.049 Uiso 1 1 calc R . .
C45 C -0.2166(19) -0.188(2) -0.1944(17) 0.0408(17) Uani 1 1 d U . .
H45 H -0.2535 -0.2602 -0.2074 0.049 Uiso 1 1 calc R . .
C46 C -0.271(2) -0.1468(19) -0.2240(17) 0.0405(17) Uani 1 1 d U . .
H46 H -0.3449 -0.1908 -0.2589 0.049 Uiso 1 1 calc R . .
C47 C -0.2170(19) -0.0340(19) -0.2031(17) 0.0400(16) Uani 1 1 d U . .
C48 C -0.271(2) 0.0127(19) -0.2298(17) 0.0396(16) Uani 1 1 d U . .
H48 H -0.3455 -0.0304 -0.2641 0.048 Uiso 1 1 calc R . .
C49 C -0.2197(19) 0.1230(19) -0.2078(17) 0.0392(16) Uani 1 1 d U . .
C50 C -0.278(2) 0.1696(19) -0.2383(17) 0.0392(17) Uani 1 1 d U . .
H50 H -0.3518 0.1263 -0.2732 0.047 Uiso 1 1 calc R . .
C51 C -0.2272(19) 0.2740(19) -0.2175(17) 0.0391(17) Uani 1 1 d U . .
H51 H -0.2658 0.3026 -0.2385 0.047 Uiso 1 1 calc R . .
C52 C -0.1140(19) 0.3414(19) -0.1630(17) 0.0390(17) Uani 1 1 d U . .
H52 H -0.0800 0.4148 -0.1472 0.047 Uiso 1 1 calc R . .
C53 C -0.0549(19) 0.3019(19) -0.1338(17) 0.0390(17) Uani 1 1 d U . .
H53 H 0.0193 0.3476 -0.1000 0.047 Uiso 1 1 calc R . .
C54 C -0.1040(19) 0.1917(19) -0.1539(17) 0.0390(16) Uani 1 1 d U . .
Cl1 Cl 0.9514(6) 0.7781(7) 0.3527(6) 0.078(2) Uani 1 1 d . . .
Cl2 Cl 1.1211(10) 1.0004(9) 0.4263(9) 0.116(4) Uani 1 1 d . . .
C55 C 1.091(2) 0.872(3) 0.410(2) 0.075(10) Uani 1 1 d . . .
H55A H 1.1178 0.8833 0.4761 0.090 Uiso 1 1 calc R . .
H55B H 1.1287 0.8400 0.3674 0.090 Uiso 1 1 calc R . .
Cl3 Cl 0.0063(14) 0.8643(14) 0.6410(12) 0.079(5) Uani 0.50 1 d P . .
Cl4 Cl -0.1877(17) 0.6550(15) 0.5739(17) 0.105(7) Uani 0.50 1 d P . .
C56 C -0.134(5) 0.787(5) 0.590(5) 0.069(19) Uani 0.50 1 d P . .
H56A H -0.1576 0.7774 0.5243 0.083 Uiso 0.50 1 calc PR . .
H56B H -0.1630 0.8302 0.6349 0.083 Uiso 0.50 1 calc PR . .


_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
Au1 Au2 3.3249(11) . ?
Au1 N1 1.995(19) . ?
Au1 N6 1.993(19) . ?
Au2 Au3 3.3292(13) . ?
Au2 N2 1.985(19) . ?
Au2 N3 1.979(19) . ?
Au3 N4 1.986(19) . ?
Au3 N5 2.012(17) . ?
F1 C10 1.32(3) . ?
F2 C10 1.35(3) . ?
F3 C10 1.33(4) . ?
F4 C11 1.35(3) . ?
F5 C11 1.35(3) . ?
F6 C11 1.33(3) . ?
F7 C12 1.30(2) . ?
F8 C12 1.36(2) . ?
F9 C12 1.33(3) . ?
N1 N2 1.38(2) . ?
N1 C1 1.32(3) . ?
N2 C3 1.31(3) . ?
N3 N4 1.37(3) . ?
N3 C4 1.34(3) . ?
N4 C6 1.36(3) . ?
N5 N6 1.34(3) . ?
N5 C7 1.33(3) . ?
N6 C9 1.31(3) . ?
C1 C2 1.41(3) . ?
C1 C13 1.52(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.39(3) . ?
C3 C10 1.52(3) . ?
C4 C5 1.34(3) . ?
C4 C27 1.51(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.35(3) . ?
C6 C11 1.45(3) . ?
C7 C8 1.36(3) . ?
C7 C12 1.50(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.38(3) . ?
C9 C41 1.50(3) . ?
C13 C14 1.38(3) . ?
C13 C26 1.39(3) . ?
C14 C15 1.43(3) . ?
C14 C19 1.44(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.35(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.46(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.33(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.43(3) . ?
C19 C20 1.40(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.39(3) . ?
C21 C22 1.42(3) . ?
C21 C26 1.46(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.33(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.44(3) . ?
C24 H24 0.9300 . ?
C24 C25 1.35(3) . ?
C25 H25 0.9300 . ?
C25 C26 1.43(3) . ?
C27 C28 1.40(3) . ?
C27 C40 1.43(3) . ?
C28 C29 1.42(3) . ?
C28 C33 1.44(3) . ?
C29 H29 0.9300 . ?
C29 C30 1.35(3) . ?
C30 H30 0.9300 . ?
C30 C31 1.42(3) . ?
C31 H31 0.9300 . ?
C31 C32 1.36(3) . ?
C32 H32 0.9300 . ?
C32 C33 1.41(3) . ?
C33 C34 1.39(3) . ?
C34 H34 0.9300 . ?
C34 C35 1.40(3) . ?
C35 C36 1.43(3) . ?
C35 C40 1.42(3) . ?
C36 H36 0.9300 . ?
C36 C37 1.35(3) . ?
C37 H37 0.9300 . ?
C37 C38 1.41(3) . ?
C38 H38 0.9300 . ?
C38 C39 1.37(3) . ?
C39 H39 0.9300 . ?
C39 C40 1.42(3) . ?
C41 C42 1.44(3) . ?
C41 C54 1.40(3) . ?
C42 C43 1.41(3) . ?
C42 C47 1.45(3) . ?
C43 H43 0.9300 . ?
C43 C44 1.40(3) . ?
C44 H44 0.9300 . ?
C44 C45 1.37(3) . ?
C45 H45 0.9300 . ?
C45 C46 1.32(3) . ?
C46 H46 0.9300 . ?
C46 C47 1.45(3) . ?
C47 C48 1.37(3) . ?
C48 H48 0.9300 . ?
C48 C49 1.41(3) . ?
C49 C50 1.43(3) . ?
C49 C54 1.45(3) . ?
C50 H50 0.9300 . ?
C50 C51 1.33(3) . ?
C51 H51 0.9300 . ?
C51 C52 1.42(3) . ?
C52 H52 0.9300 . ?
C52 C53 1.35(3) . ?
C53 H53 0.9300 . ?
C53 C54 1.42(3) . ?
Cl1 C55 1.77(3) . ?
Cl2 C55 1.72(4) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
Cl3 C56 1.74(6) . ?
Cl4 C56 1.75(6) . ?
C56 H56A 0.9700 . ?
C56 H56B 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
N1 Au1 Au2 60.1(5) . . ?
N6 Au1 Au2 117.3(5) . . ?
N6 Au1 N1 177.4(7) . . ?
Au1 Au2 Au3 61.91(3) . . ?
N2 Au2 Au1 61.4(5) . . ?
N2 Au2 Au3 123.3(5) . . ?
N3 Au2 Au1 121.0(5) . . ?
N3 Au2 Au3 59.1(6) . . ?
N3 Au2 N2 176.4(8) . . ?
N4 Au3 Au2 61.6(6) . . ?
N4 Au3 N5 179.1(8) . . ?
N5 Au3 Au2 117.7(5) . . ?
N2 N1 Au1 120.4(15) . . ?
C1 N1 Au1 132.1(14) . . ?
C1 N1 N2 107.5(18) . . ?
N1 N2 Au2 118.0(14) . . ?
C3 N2 Au2 135.1(14) . . ?
C3 N2 N1 106.8(18) . . ?
N4 N3 Au2 122.6(14) . . ?
C4 N3 Au2 127.6(17) . . ?
C4 N3 N4 109.4(19) . . ?
N3 N4 Au3 116.0(14) . . ?
C6 N4 Au3 137.8(17) . . ?
C6 N4 N3 105.8(18) . . ?
N6 N5 Au3 119.7(14) . . ?
C7 N5 Au3 132.3(16) . . ?
C7 N5 N6 107.9(17) . . ?
N5 N6 Au1 122.8(13) . . ?
C9 N6 Au1 129.6(16) . . ?
C9 N6 N5 107.2(19) . . ?
N1 C1 C2 111.2(19) . . ?
N1 C1 C13 119.3(19) . . ?
C2 C1 C13 129(2) . . ?
C1 C2 H2 129.4 . . ?
C3 C2 C1 101(2) . . ?
C3 C2 H2 129.4 . . ?
N2 C3 C2 112.9(19) . . ?
N2 C3 C10 119(2) . . ?
C2 C3 C10 127(2) . . ?
N3 C4 C5 107(2) . . ?
N3 C4 C27 117(2) . . ?
C5 C4 C27 135(2) . . ?
C4 C5 H5 125.6 . . ?
C4 C5 C6 109(2) . . ?
C6 C5 H5 125.6 . . ?
N4 C6 C11 122(2) . . ?
C5 C6 N4 109(2) . . ?
C5 C6 C11 129(2) . . ?
N5 C7 C8 111(2) . . ?
N5 C7 C12 118.9(19) . . ?
C8 C7 C12 130(2) . . ?
C7 C8 H8 128.9 . . ?
C7 C8 C9 102(2) . . ?
C9 C8 H8 128.9 . . ?
N6 C9 C8 111(2) . . ?
N6 C9 C41 123(2) . . ?
C8 C9 C41 125(2) . . ?
F1 C10 F2 111(2) . . ?
F1 C10 F3 107(2) . . ?
F1 C10 C3 110(2) . . ?
F2 C10 C3 112(2) . . ?
F3 C10 F2 106(2) . . ?
F3 C10 C3 111(2) . . ?
F4 C11 F5 102.7(18) . . ?
F4 C11 C6 114(2) . . ?
F5 C11 C6 112.5(19) . . ?
F6 C11 F4 107.0(18) . . ?
F6 C11 F5 103.3(19) . . ?
F6 C11 C6 116(2) . . ?
F7 C12 F8 106.9(16) . . ?
F7 C12 F9 108.5(18) . . ?
F7 C12 C7 114.5(19) . . ?
F8 C12 C7 111.5(17) . . ?
F9 C12 F8 105.7(18) . . ?
F9 C12 C7 109.4(17) . . ?
C14 C13 C1 119(2) . . ?
C14 C13 C26 122(2) . . ?
C26 C13 C1 118.8(19) . . ?
C13 C14 C15 124(2) . . ?
C13 C14 C19 119(2) . . ?
C15 C14 C19 116(2) . . ?
C14 C15 H15 119.1 . . ?
C16 C15 C14 122(2) . . ?
C16 C15 H15 119.1 . . ?
C15 C16 H16 119.2 . . ?
C15 C16 C17 122(2) . . ?
C17 C16 H16 119.2 . . ?
C16 C17 H17 121.3 . . ?
C18 C17 C16 117(2) . . ?
C18 C17 H17 121.3 . . ?
C17 C18 H18 118.3 . . ?
C17 C18 C19 123(2) . . ?
C19 C18 H18 118.3 . . ?
C18 C19 C14 119(2) . . ?
C20 C19 C14 120(2) . . ?
C20 C19 C18 121(2) . . ?
C19 C20 H20 119.4 . . ?
C21 C20 C19 121(2) . . ?
C21 C20 H20 119.4 . . ?
C20 C21 C22 123(2) . . ?
C20 C21 C26 119(2) . . ?
C22 C21 C26 117(2) . . ?
C21 C22 H22 118.7 . . ?
C23 C22 C21 123(2) . . ?
C23 C22 H22 118.7 . . ?
C22 C23 H23 119.6 . . ?
C22 C23 C24 121(2) . . ?
C24 C23 H23 119.6 . . ?
C23 C24 H24 120.2 . . ?
C25 C24 C23 120(2) . . ?
C25 C24 H24 120.2 . . ?
C24 C25 H25 119.1 . . ?
C24 C25 C26 122(2) . . ?
C26 C25 H25 119.1 . . ?
C13 C26 C21 118(2) . . ?
C13 C26 C25 124(2) . . ?
C25 C26 C21 118.0(19) . . ?
C28 C27 C4 119.8(18) . . ?
C28 C27 C40 122(2) . . ?
C40 C27 C4 118(2) . . ?
C27 C28 C29 123(2) . . ?
C27 C28 C33 118.5(19) . . ?
C29 C28 C33 118(2) . . ?
C28 C29 H29 119.4 . . ?
C30 C29 C28 121(2) . . ?
C30 C29 H29 119.4 . . ?
C29 C30 H30 119.8 . . ?
C29 C30 C31 120(2) . . ?
C31 C30 H30 119.8 . . ?
C30 C31 H31 120.3 . . ?
C32 C31 C30 119(2) . . ?
C32 C31 H31 120.3 . . ?
C31 C32 H32 119.1 . . ?
C31 C32 C33 122(2) . . ?
C33 C32 H32 119.1 . . ?
C32 C33 C28 118.3(19) . . ?
C34 C33 C28 119(2) . . ?
C34 C33 C32 122(2) . . ?
C33 C34 H34 118.9 . . ?
C35 C34 C33 122(2) . . ?
C35 C34 H34 118.9 . . ?
C34 C35 C36 122(2) . . ?
C34 C35 C40 119.8(19) . . ?
C40 C35 C36 118(2) . . ?
C35 C36 H36 119.4 . . ?
C37 C36 C35 121(2) . . ?
C37 C36 H36 119.4 . . ?
C36 C37 H37 120.0 . . ?
C36 C37 C38 120(2) . . ?
C38 C37 H37 120.0 . . ?
C37 C38 H38 119.5 . . ?
C39 C38 C37 121(2) . . ?
C39 C38 H38 119.5 . . ?
C38 C39 H39 120.0 . . ?
C38 C39 C40 120(2) . . ?
C40 C39 H39 120.0 . . ?
C35 C40 C27 118(2) . . ?
C35 C40 C39 119.5(19) . . ?
C39 C40 C27 123(2) . . ?
C42 C41 C9 118(2) . . ?
C54 C41 C9 121.5(19) . . ?
C54 C41 C42 120(2) . . ?
C41 C42 C47 120(2) . . ?
C43 C42 C41 123(2) . . ?
C43 C42 C47 118(2) . . ?
C42 C43 H43 119.8 . . ?
C44 C43 C42 120(2) . . ?
C44 C43 H43 119.8 . . ?
C43 C44 H44 119.3 . . ?
C45 C44 C43 121(2) . . ?
C45 C44 H44 119.3 . . ?
C44 C45 H45 119.5 . . ?
C46 C45 C44 121(2) . . ?
C46 C45 H45 119.5 . . ?
C45 C46 H46 119.4 . . ?
C45 C46 C47 121(2) . . ?
C47 C46 H46 119.4 . . ?
C42 C47 C46 118(2) . . ?
C48 C47 C42 119(2) . . ?
C48 C47 C46 123(2) . . ?
C47 C48 H48 118.5 . . ?
C47 C48 C49 123(2) . . ?
C49 C48 H48 118.5 . . ?
C48 C49 C50 122(2) . . ?
C48 C49 C54 119(2) . . ?
C50 C49 C54 119(2) . . ?
C49 C50 H50 119.4 . . ?
C51 C50 C49 121(2) . . ?
C51 C50 H50 119.4 . . ?
C50 C51 H51 120.1 . . ?
C50 C51 C52 120(2) . . ?
C52 C51 H51 120.1 . . ?
C51 C52 H52 119.1 . . ?
C53 C52 C51 122(2) . . ?
C53 C52 H52 119.1 . . ?
C52 C53 H53 119.5 . . ?
C52 C53 C54 121(2) . . ?
C54 C53 H53 119.5 . . ?
C41 C54 C49 119(2) . . ?
C41 C54 C53 123(2) . . ?
C53 C54 C49 118(2) . . ?
Cl1 C55 H55A 109.2 . . ?
Cl1 C55 H55B 109.2 . . ?
Cl2 C55 Cl1 112(2) . . ?
Cl2 C55 H55A 109.2 . . ?
Cl2 C55 H55B 109.2 . . ?
H55A C55 H55B 107.9 . . ?
Cl3 C56 Cl4 115(4) . . ?
Cl3 C56 H56A 108.5 . . ?
Cl3 C56 H56B 108.5 . . ?
Cl4 C56 H56A 108.5 . . ?
Cl4 C56 H56B 108.5 . . ?
H56A C56 H56B 107.5 . . ?

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
Au1 Au2 Au3 N4 174.9(6) . . . . ?
Au1 Au2 Au3 N5 -4.5(5) . . . . ?
Au1 Au2 N2 N1 0.5(12) . . . . ?
Au1 Au2 N2 C3 177(2) . . . . ?
Au1 Au2 N3 N4 6.0(18) . . . . ?
Au1 Au2 N3 C4 178.0(16) . . . . ?
Au1 N1 N2 Au2 -1(2) . . . . ?
Au1 N1 N2 C3 -178.0(14) . . . . ?
Au1 N1 C1 C2 -178.6(15) . . . . ?
Au1 N1 C1 C13 2(3) . . . . ?
Au1 N6 C9 C8 -176.8(14) . . . . ?
Au1 N6 C9 C41 7(3) . . . . ?
Au2 Au1 N1 N2 0.5(12) . . . . ?
Au2 Au1 N1 C1 177(2) . . . . ?
Au2 Au1 N6 N5 3.3(16) . . . . ?
Au2 Au1 N6 C9 174.9(16) . . . . ?
Au2 Au3 N4 N3 6.1(12) . . . . ?
Au2 Au3 N4 C6 177(2) . . . . ?
Au2 Au3 N5 N6 9.0(16) . . . . ?
Au2 Au3 N5 C7 -175.1(17) . . . . ?
Au2 N2 C3 C2 177.5(16) . . . . ?
Au2 N2 C3 C10 3(3) . . . . ?
Au2 N3 N4 Au3 -11(2) . . . . ?
Au2 N3 N4 C6 175.3(14) . . . . ?
Au2 N3 C4 C5 -175.4(15) . . . . ?
Au2 N3 C4 C27 10(3) . . . . ?
Au3 Au2 N2 N1 3.0(17) . . . . ?
Au3 Au2 N2 C3 179.2(19) . . . . ?
Au3 Au2 N3 N4 6.7(13) . . . . ?
Au3 Au2 N3 C4 179(2) . . . . ?
Au3 N4 C6 C5 -172.6(17) . . . . ?
Au3 N4 C6 C11 6(4) . . . . ?
Au3 N5 N6 Au1 -8(2) . . . . ?
Au3 N5 N6 C9 178.8(13) . . . . ?
Au3 N5 C7 C8 -175.3(14) . . . . ?
Au3 N5 C7 C12 0(3) . . . . ?
N1 Au1 Au2 Au3 -177.9(6) . . . . ?
N1 Au1 Au2 N2 -0.3(8) . . . . ?
N1 Au1 Au2 N3 -177.2(8) . . . . ?
N1 Au1 N6 N5 15(17) . . . . ?
N1 Au1 N6 C9 -173(15) . . . . ?
N1 N2 C3 C2 -6(3) . . . . ?
N1 N2 C3 C10 180(2) . . . . ?
N1 C1 C2 C3 -2(2) . . . . ?
N1 C1 C13 C14 72(3) . . . . ?
N1 C1 C13 C26 -107(3) . . . . ?
N2 Au2 Au3 N4 172.3(9) . . . . ?
N2 Au2 Au3 N5 -7.0(8) . . . . ?
N2 Au2 N3 N4 -125(11) . . . . ?
N2 Au2 N3 C4 47(12) . . . . ?
N2 N1 C1 C2 -2(2) . . . . ?
N2 N1 C1 C13 179.2(18) . . . . ?
N2 C3 C10 F1 -169(2) . . . . ?
N2 C3 C10 F2 67(3) . . . . ?
N2 C3 C10 F3 -51(3) . . . . ?
N3 Au2 Au3 N4 -4.4(9) . . . . ?
N3 Au2 Au3 N5 176.2(8) . . . . ?
N3 Au2 N2 N1 133(11) . . . . ?
N3 Au2 N2 C3 -51(12) . . . . ?
N3 N4 C6 C5 -1(2) . . . . ?
N3 N4 C6 C11 178(2) . . . . ?
N3 C4 C5 C6 2(3) . . . . ?
N3 C4 C27 C28 -90(3) . . . . ?
N3 C4 C27 C40 90(3) . . . . ?
N4 Au3 N5 N6 -30(48) . . . . ?
N4 Au3 N5 C7 146(46) . . . . ?
N4 N3 C4 C5 -3(2) . . . . ?
N4 N3 C4 C27 -177.0(18) . . . . ?
N4 C6 C11 F4 123(2) . . . . ?
N4 C6 C11 F5 -121(2) . . . . ?
N4 C6 C11 F6 -2(3) . . . . ?
N5 Au3 N4 N3 45(48) . . . . ?
N5 Au3 N4 C6 -144(46) . . . . ?
N5 N6 C9 C8 -4(2) . . . . ?
N5 N6 C9 C41 179.5(18) . . . . ?
N5 C7 C8 C9 -3(2) . . . . ?
N5 C7 C12 F7 -63(3) . . . . ?
N5 C7 C12 F8 58(2) . . . . ?
N5 C7 C12 F9 174.8(18) . . . . ?
N6 Au1 Au2 Au3 1.5(5) . . . . ?
N6 Au1 Au2 N2 179.1(8) . . . . ?
N6 Au1 Au2 N3 2.2(8) . . . . ?
N6 Au1 N1 N2 -11(17) . . . . ?
N6 Au1 N1 C1 165(15) . . . . ?
N6 N5 C7 C8 1(2) . . . . ?
N6 N5 C7 C12 176.4(17) . . . . ?
N6 C9 C41 C42 -112(3) . . . . ?
N6 C9 C41 C54 71(3) . . . . ?
C1 N1 N2 Au2 -178.3(14) . . . . ?
C1 N1 N2 C3 5(2) . . . . ?
C1 C2 C3 N2 5(3) . . . . ?
C1 C2 C3 C10 178(2) . . . . ?
C1 C13 C14 C15 2(4) . . . . ?
C1 C13 C14 C19 179(2) . . . . ?
C1 C13 C26 C21 -178(2) . . . . ?
C1 C13 C26 C25 1(4) . . . . ?
C2 C1 C13 C14 -107(3) . . . . ?
C2 C1 C13 C26 74(3) . . . . ?
C2 C3 C10 F1 18(4) . . . . ?
C2 C3 C10 F2 -106(3) . . . . ?
C2 C3 C10 F3 136(2) . . . . ?
C4 N3 N4 Au3 175.9(14) . . . . ?
C4 N3 N4 C6 2(2) . . . . ?
C4 C5 C6 N4 -1(3) . . . . ?
C4 C5 C6 C11 -180(2) . . . . ?
C4 C27 C28 C29 5(3) . . . . ?
C4 C27 C28 C33 -178.5(19) . . . . ?
C4 C27 C40 C35 177.5(19) . . . . ?
C4 C27 C40 C39 -3(3) . . . . ?
C5 C4 C27 C28 98(3) . . . . ?
C5 C4 C27 C40 -82(3) . . . . ?
C5 C6 C11 F4 -58(3) . . . . ?
C5 C6 C11 F5 58(3) . . . . ?
C5 C6 C11 F6 177(2) . . . . ?
C7 N5 N6 Au1 175.3(13) . . . . ?
C7 N5 N6 C9 2(2) . . . . ?
C7 C8 C9 N6 5(2) . . . . ?
C7 C8 C9 C41 -179.2(19) . . . . ?
C8 C7 C12 F7 111(2) . . . . ?
C8 C7 C12 F8 -127(2) . . . . ?
C8 C7 C12 F9 -11(3) . . . . ?
C8 C9 C41 C42 72(3) . . . . ?
C8 C9 C41 C54 -105(3) . . . . ?
C9 C41 C42 C43 3(3) . . . . ?
C9 C41 C42 C47 -176(2) . . . . ?
C9 C41 C54 C49 176(2) . . . . ?
C9 C41 C54 C53 -3(4) . . . . ?
C12 C7 C8 C9 -178(2) . . . . ?
C13 C1 C2 C3 177(2) . . . . ?
C13 C14 C15 C16 -180(2) . . . . ?
C13 C14 C19 C18 -178(2) . . . . ?
C13 C14 C19 C20 1(3) . . . . ?
C14 C13 C26 C21 3(4) . . . . ?
C14 C13 C26 C25 -178(2) . . . . ?
C14 C15 C16 C17 -3(4) . . . . ?
C14 C19 C20 C21 0(4) . . . . ?
C15 C14 C19 C18 0(3) . . . . ?
C15 C14 C19 C20 179(2) . . . . ?
C15 C16 C17 C18 1(3) . . . . ?
C16 C17 C18 C19 1(4) . . . . ?
C17 C18 C19 C14 -2(4) . . . . ?
C17 C18 C19 C20 180(2) . . . . ?
C18 C19 C20 C21 178(2) . . . . ?
C19 C14 C15 C16 2(3) . . . . ?
C19 C20 C21 C22 178(2) . . . . ?
C19 C20 C21 C26 1(4) . . . . ?
C20 C21 C22 C23 -180(2) . . . . ?
C20 C21 C26 C13 -2(3) . . . . ?
C20 C21 C26 C25 179(2) . . . . ?
C21 C22 C23 C24 3(4) . . . . ?
C22 C21 C26 C13 -179(2) . . . . ?
C22 C21 C26 C25 1(3) . . . . ?
C22 C23 C24 C25 -1(4) . . . . ?
C23 C24 C25 C26 0(4) . . . . ?
C24 C25 C26 C13 -179(2) . . . . ?
C24 C25 C26 C21 0(3) . . . . ?
C26 C13 C14 C15 -180(2) . . . . ?
C26 C13 C14 C19 -2(4) . . . . ?
C26 C21 C22 C23 -3(4) . . . . ?
C27 C4 C5 C6 175(2) . . . . ?
C27 C28 C29 C30 179(2) . . . . ?
C27 C28 C33 C32 -180(2) . . . . ?
C27 C28 C33 C34 0(3) . . . . ?
C28 C27 C40 C35 -3(3) . . . . ?
C28 C27 C40 C39 177(2) . . . . ?
C28 C29 C30 C31 -3(3) . . . . ?
C28 C33 C34 C35 -1(3) . . . . ?
C29 C28 C33 C32 -3(3) . . . . ?
C29 C28 C33 C34 177(2) . . . . ?
C29 C30 C31 C32 6(3) . . . . ?
C30 C31 C32 C33 -7(3) . . . . ?
C31 C32 C33 C28 6(3) . . . . ?
C31 C32 C33 C34 -174(2) . . . . ?
C32 C33 C34 C35 179(2) . . . . ?
C33 C28 C29 C30 2(3) . . . . ?
C33 C34 C35 C36 -178(2) . . . . ?
C33 C34 C35 C40 0(3) . . . . ?
C34 C35 C36 C37 178(2) . . . . ?
C34 C35 C40 C27 2(3) . . . . ?
C34 C35 C40 C39 -177(2) . . . . ?
C35 C36 C37 C38 -1(3) . . . . ?
C36 C35 C40 C27 179.7(19) . . . . ?
C36 C35 C40 C39 0(3) . . . . ?
C36 C37 C38 C39 2(3) . . . . ?
C37 C38 C39 C40 -2(3) . . . . ?
C38 C39 C40 C27 -179(2) . . . . ?
C38 C39 C40 C35 1(3) . . . . ?
C40 C27 C28 C29 -175(2) . . . . ?
C40 C27 C28 C33 1(3) . . . . ?
C40 C35 C36 C37 0(3) . . . . ?
C41 C42 C43 C44 179(2) . . . . ?
C41 C42 C47 C46 -179(2) . . . . ?
C41 C42 C47 C48 -1(4) . . . . ?
C42 C41 C54 C49 -1(3) . . . . ?
C42 C41 C54 C53 -180(2) . . . . ?
C42 C43 C44 C45 0(4) . . . . ?
C42 C47 C48 C49 1(4) . . . . ?
C43 C42 C47 C46 1(3) . . . . ?
C43 C42 C47 C48 180(2) . . . . ?
C43 C44 C45 C46 1(4) . . . . ?
C44 C45 C46 C47 -2(4) . . . . ?
C45 C46 C47 C42 0(4) . . . . ?
C45 C46 C47 C48 -178(2) . . . . ?
C46 C47 C48 C49 179(2) . . . . ?
C47 C42 C43 C44 -2(3) . . . . ?
C47 C48 C49 C50 179(2) . . . . ?
C47 C48 C49 C54 0(4) . . . . ?
C48 C49 C50 C51 -179(2) . . . . ?
C48 C49 C54 C41 1(3) . . . . ?
C48 C49 C54 C53 179(2) . . . . ?
C49 C50 C51 C52 -1(4) . . . . ?
C50 C49 C54 C41 -178(2) . . . . ?
C50 C49 C54 C53 0(3) . . . . ?
C50 C51 C52 C53 2(4) . . . . ?
C51 C52 C53 C54 -2(4) . . . . ?
C52 C53 C54 C41 179(2) . . . . ?
C52 C53 C54 C49 1(3) . . . . ?
C54 C41 C42 C43 -179(2) . . . . ?
C54 C41 C42 C47 1(4) . . . . ?
C54 C49 C50 C51 0(4) . . . . ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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 3.479
_oxdiff_exptl_absorpt_empirical_full_min 0.463
_exptl_crystal_preparation       Luminescent
