# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2053740'
loop_
_audit_author_name
_audit_author_address
'Xi Xi Kang'
;Anhui University
China
;
_audit_update_record             
;
2021-01-04 deposited with the CCDC.	2021-03-22 downloaded from the CCDC.
;
_audit_creation_date             2020-11-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C126 H82.5 Au10 Br3 F21 P7 Pd0.5'
_chemical_formula_sum            'C111 H0.33 Au9.62 Br3 Cl0.33 F15 P6 Pd0.33'
_chemical_formula_weight         3985.44
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0181 0.0091 '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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 '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'
H H 0.0000 0.0000 '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      trigonal
_space_group_IT_number           146
_space_group_name_H-M_alt        'R 3'
_space_group_name_Hall           'R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'

_cell_length_a                   26.403
_cell_length_b                   26.403
_cell_length_c                   15.941
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     9623.9
_cell_formula_units_Z            3
_cell_measurement_reflns_used    1568
_cell_measurement_temperature    160
_cell_measurement_theta_max      60.26
_cell_measurement_theta_min      3.46
_shelx_estimated_absorpt_T_max   0.547
_shelx_estimated_absorpt_T_min   0.208
_exptl_absorpt_coefficient_mu    22.859
_exptl_absorpt_correction_T_max  0.32
_exptl_absorpt_correction_T_min  0.16
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.063
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5331
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_av_unetI/netI     0.0454
_diffrn_reflns_Laue_measured_fraction_full 0.963
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11276
_diffrn_reflns_point_group_measured_fraction_full 0.786
_diffrn_reflns_point_group_measured_fraction_max 0.786
_diffrn_reflns_theta_full        63.968
_diffrn_reflns_theta_max         63.968
_diffrn_reflns_theta_min         6.707
_diffrn_ambient_temperature      160
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  STOE
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   ?
_reflns_Friedel_coverage         0.632
_reflns_Friedel_fraction_full    0.609
_reflns_Friedel_fraction_max     0.609
_reflns_number_gt                5341
_reflns_number_total             5587
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         4.137
_refine_diff_density_min         -1.811
_refine_diff_density_rms         0.358
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.05(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         5587
_refine_ls_number_restraints     241
_refine_ls_R_factor_all          0.1134
_refine_ls_R_factor_gt           0.1121
_refine_ls_restrained_S_all      1.071
_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)+(0.2500P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2755
_refine_ls_wR_factor_ref         0.2784
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
P7 \\sim Au04 \\sim C20 \\sim C83 \\sim C35 \\sim C1AA \\sim C22 \\sim C0AA
\\sim F10: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Pd3 \\sim Au1 \\sim P1 \\sim C2AA \\sim C3AA \\sim C4AA \\sim C56 \\sim C87
\\sim C19 \\sim F56: within 2A with sigma of 0.01 and sigma for terminal atoms
of 0.02
P008 \\sim C019 \\sim C36 \\sim C42 \\sim C018 \\sim C00S \\sim C00P \\sim
F00A: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
P008 \\sim C11 \\sim C013 \\sim C26 \\sim C010 \\sim C015 \\sim C8 \\sim F00B:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
P008 \\sim C17 \\sim C00M \\sim C012 \\sim C00Y \\sim C00T \\sim C00J \\sim
F00C: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: Au04(0.16667) Pd3(0.16667) Au1(0.16667) P7(0.16667) C20(0.5)
 C0AA(0.5) H0AA(0.5) C22(0.5) H22(0.5) C1AA(0.5) C35(0.5) H35(0.5) C83(0.5)
 H83(0.5) F10(0.5) P1(0.16667) C87(0.5) C56(0.5) C4AA(0.5) H4AA(0.5) C3AA(0.5)
 H3AA(0.5) C2AA(0.5) C19(0.5) H19(0.5) F56(0.5)
4.a Aromatic/amide H refined with riding coordinates:
 C00N(H00N), C00R(H00R), C00V(H00V), C6(H6), C00O(H00O), C017(H017),
 C014(H014), C00I(H00I), C00W(H00W), C016(H016), C16(H16), C00X(H00X),
 C00P(H00P), C00S(H00S), C42(H42), C36(H36), C013(H013), C26(H26), C015(H015),
 C8(H8), C00M(H00M), C012(H012), C00T(H00T), C00J(H00J), C0AA(H0AA), C22(H22),
 C35(H35), C83(H83), C4AA(H4AA), C3AA(H3AA), C19(H19)
4.b Fitted hexagon refined as free rotating group:
 C00L(C00N,C00R,C00H,C00V,C6), C00Q(C00O,C017,C01A,C014,C00I), C00U(C00W,C016,
 C00G,C16,C00X), C019(C00P,C00S,C018,C42,C36), C11(C013,C26,C010,C015,C8),
 C17(C00M,C012,C00Y,C00T,C00J), C20(C0AA,C22,C1AA,C35,C83), C87(C56,C4AA,C3AA,
 C2AA,C19)
;
_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 0.55360(6) 0.25707(6) 0.59833(8) 0.0507(5) Uani 1 1 d . . . . .
Au02 Au 0.59006(6) 0.37171(6) 0.53947(8) 0.0522(5) Uani 1 1 d . . . . .
Au03 Au 0.59316(7) 0.29047(7) 0.42989(13) 0.0665(5) Uani 1 1 d . . . . .
Au04 Au 0.666667 0.333333 0.5716(6) 0.0577(16) Uani 0.5 3 d S TU P A 1
Br06 Br 0.5276(2) 0.4181(2) 0.5495(4) 0.0778(13) Uani 1 1 d . . . . .
P07 P 0.4625(4) 0.1870(4) 0.6402(6) 0.056(2) Uani 1 1 d . . . . .
P008 P 0.5251(5) 0.2494(5) 0.3246(8) 0.072(2) Uani 1 1 d . U . . .
F009 F 0.4606(12) 0.0897(11) 0.9733(17) 0.075(6) Uani 1 1 d . . . . .
F00A F 0.5696(16) 0.3991(15) 0.024(2) 0.106(9) Uani 1 1 d . U . . .
F00B F 0.2900(12) 0.1986(15) 0.4338(16) 0.086(7) Uani 1 1 d . U . . .
F00C F 0.5170(12) 0.0377(12) 0.1912(16) 0.081(6) Uani 1 1 d . U . . .
F00D F 0.2935(15) 0.269(2) 0.665(3) 0.125(14) Uani 1 1 d . . . . .
F00E F 0.3592(14) -0.0273(15) 0.426(2) 0.104(10) Uani 1 1 d . . . . .
C00L C 0.4095(10) 0.2119(11) 0.6388(17) 0.063(9) Uani 1 1 d . . . . .
C00N C 0.4295(8) 0.2713(10) 0.6476(16) 0.058(9) Uani 1 1 d G . . . .
H00N H 0.470336 0.298449 0.647867 0.070 Uiso 1 1 calc R . . . .
C00R C 0.3899(11) 0.2910(9) 0.6560(18) 0.073(11) Uani 1 1 d G . . . .
H00R H 0.403562 0.331675 0.662048 0.088 Uiso 1 1 calc R . . . .
C00H C 0.3301(10) 0.2513(12) 0.656(2) 0.088(15) Uani 1 1 d G . . . .
C00V C 0.3101(8) 0.1919(12) 0.647(2) 0.091(16) Uani 1 1 d G . . . .
H00V H 0.269275 0.164769 0.646651 0.109 Uiso 1 1 calc R . . . .
C6 C 0.3498(10) 0.1722(9) 0.638(2) 0.077(13) Uani 1 1 d G . . . .
H6 H 0.336047 0.131541 0.632470 0.093 Uiso 1 1 calc R . . . .
C00Q C 0.4311(11) 0.1199(8) 0.5763(12) 0.057(9) Uani 1 1 d . . . . .
C00O C 0.3891(11) 0.0663(11) 0.6089(12) 0.062(9) Uani 1 1 d G . . . .
H00O H 0.377213 0.063454 0.665723 0.075 Uiso 1 1 calc R . . . .
C017 C 0.3646(10) 0.0168(8) 0.5583(16) 0.076(12) Uani 1 1 d G . . . .
H017 H 0.335929 -0.019879 0.580523 0.091 Uiso 1 1 calc R . . . .
C01A C 0.3820(11) 0.0209(9) 0.4751(16) 0.072(11) Uani 1 1 d G . . . .
C014 C 0.4240(11) 0.0745(11) 0.4425(11) 0.075(12) Uani 1 1 d G . . . .
H014 H 0.435914 0.077270 0.385654 0.090 Uiso 1 1 calc R . . . .
C00I C 0.4485(10) 0.1240(9) 0.4931(12) 0.063(9) Uani 1 1 d G . . . .
H00I H 0.477198 0.160603 0.470853 0.075 Uiso 1 1 calc R . . . .
C00U C 0.4590(11) 0.1565(12) 0.7460(12) 0.056(9) Uani 1 1 d . . . . .
C00W C 0.4195(10) 0.1532(13) 0.8065(14) 0.061(9) Uani 1 1 d G . . . .
H00W H 0.392635 0.166132 0.793817 0.073 Uiso 1 1 calc R . . . .
C016 C 0.4192(11) 0.1308(13) 0.8856(13) 0.077(13) Uani 1 1 d G . . . .
H016 H 0.392219 0.128518 0.926890 0.093 Uiso 1 1 calc R . . . .
C00G C 0.4585(13) 0.1119(13) 0.9041(13) 0.078(13) Uani 1 1 d G . . . .
C16 C 0.4980(11) 0.1152(13) 0.8437(18) 0.081(13) Uani 1 1 d G . . . .
H16 H 0.524810 0.102261 0.856375 0.097 Uiso 1 1 calc R . . . .
C00X C 0.4982(11) 0.1376(13) 0.7646(16) 0.067(10) Uani 1 1 d G . . . .
H00X H 0.525227 0.139875 0.723300 0.081 Uiso 1 1 calc R . . . .
C019 C 0.5338(14) 0.2956(13) 0.2343(17) 0.079(6) Uani 1 1 d . U . . .
C00P C 0.5914(12) 0.3353(14) 0.213(2) 0.080(7) Uani 1 1 d G U . . .
H00P H 0.622555 0.338974 0.246843 0.096 Uiso 1 1 calc R . . . .
C00S C 0.6034(11) 0.3694(13) 0.141(2) 0.085(8) Uani 1 1 d G U . . .
H00S H 0.642691 0.396497 0.126280 0.102 Uiso 1 1 calc R . . . .
C018 C 0.5578(15) 0.3640(14) 0.0910(18) 0.090(8) Uani 1 1 d G U . . .
C42 C 0.5002(13) 0.3244(16) 0.113(2) 0.090(8) Uani 1 1 d G U . . .
H42 H 0.469064 0.320649 0.078455 0.107 Uiso 1 1 calc R . . . .
C36 C 0.4883(11) 0.2902(14) 0.184(2) 0.085(8) Uani 1 1 d G U . . .
H36 H 0.448927 0.263125 0.199018 0.102 Uiso 1 1 calc R . . . .
C11 C 0.4512(9) 0.2294(14) 0.356(2) 0.075(6) Uani 1 1 d . U . . .
C013 C 0.4476(10) 0.2707(12) 0.4062(19) 0.076(7) Uani 1 1 d G U . . .
H013 H 0.482157 0.305652 0.421505 0.092 Uiso 1 1 calc R . . . .
C26 C 0.3934(12) 0.2607(13) 0.4338(18) 0.078(7) Uani 1 1 d G U . . .
H26 H 0.390955 0.288873 0.467929 0.093 Uiso 1 1 calc R . . . .
C010 C 0.3429(9) 0.2095(15) 0.4115(19) 0.083(7) Uani 1 1 d G U . . .
C015 C 0.3465(10) 0.1682(12) 0.362(2) 0.083(8) Uani 1 1 d G U . . .
H015 H 0.311926 0.133236 0.346273 0.100 Uiso 1 1 calc R . . . .
C8 C 0.4007(12) 0.1782(13) 0.334(2) 0.079(7) Uani 1 1 d G U . . .
H8 H 0.403126 0.150013 0.299849 0.094 Uiso 1 1 calc R . . . .
C17 C 0.5188(13) 0.1813(10) 0.2842(17) 0.070(6) Uani 1 1 d . U . . .
C00M C 0.5490(12) 0.1582(12) 0.3258(14) 0.069(7) Uani 1 1 d G U . . .
H00M H 0.570257 0.176366 0.375487 0.083 Uiso 1 1 calc R . . . .
C012 C 0.5482(13) 0.1087(12) 0.2947(17) 0.072(7) Uani 1 1 d G U . . .
H012 H 0.568866 0.092898 0.323060 0.087 Uiso 1 1 calc R . . . .
C00Y C 0.5171(13) 0.0821(11) 0.2219(17) 0.073(7) Uani 1 1 d G U . . .
C00T C 0.4869(12) 0.1052(12) 0.1804(14) 0.070(7) Uani 1 1 d G U . . .
H00T H 0.465695 0.087029 0.130683 0.084 Uiso 1 1 calc R . . . .
C00J C 0.4877(12) 0.1547(12) 0.2115(16) 0.072(7) Uani 1 1 d G U . . .
H00J H 0.467085 0.170497 0.183108 0.086 Uiso 1 1 calc R . . . .
Pd3 Pd 0.666667 0.333333 0.5306(8) 0.053(3) Uani 0.5 3 d S TU P A 2
Au1 Au 0.666667 0.333333 0.6965(7) 0.080(2) Uani 0.5 3 d S TU P A 2
P7 P 0.666667 0.333333 0.731(2) 0.047(7) Uani 0.5 3 d S TU P A 1
C20 C 0.7185(14) 0.4009(15) 0.781(2) 0.040(7) Uani 0.5 1 d . U . A 1
C0AA C 0.7765(15) 0.4297(17) 0.7555(19) 0.044(7) Uani 0.5 1 d G U . A 1
H0AA H 0.787744 0.416380 0.707432 0.053 Uiso 0.5 1 calc R . . A 1
C22 C 0.8182(12) 0.4780(17) 0.800(2) 0.048(8) Uani 0.5 1 d G U . A 1
H22 H 0.857846 0.497631 0.782140 0.058 Uiso 0.5 1 calc R . . A 1
C1AA C 0.8018(15) 0.4975(15) 0.870(2) 0.045(7) Uani 0.5 1 d G U . A 1
C35 C 0.7438(16) 0.4687(17) 0.896(2) 0.044(7) Uani 0.5 1 d G U . A 1
H35 H 0.732557 0.482012 0.944250 0.053 Uiso 0.5 1 calc R . . A 1
C83 C 0.7021(12) 0.4204(17) 0.852(2) 0.043(7) Uani 0.5 1 d G U . A 1
H83 H 0.662455 0.400762 0.869542 0.052 Uiso 0.5 1 calc R . . A 1
F10 F 0.8405(15) 0.5428(16) 0.904(2) 0.051(8) Uani 0.5 1 d . U . A 1
P1 P 0.666667 0.333333 0.838(3) 0.085(9) Uani 0.5 3 d S TU P A 2
C87 C 0.805(3) 0.495(3) 0.861(5) 0.090(12) Uani 0.5 1 d . U . A 2
C56 C 0.793(3) 0.519(2) 0.930(5) 0.092(12) Uani 0.5 1 d G U . A 2
C4AA C 0.742(3) 0.486(3) 0.975(4) 0.087(12) Uani 0.5 1 d G U . A 2
H4AA H 0.733248 0.503203 1.021906 0.104 Uiso 0.5 1 calc R . . A 2
C3AA C 0.703(3) 0.429(3) 0.952(4) 0.088(11) Uani 0.5 1 d G U . A 2
H3AA H 0.668031 0.406481 0.982916 0.105 Uiso 0.5 1 calc R . . A 2
C2AA C 0.715(3) 0.405(3) 0.883(5) 0.087(10) Uani 0.5 1 d G U . A 2
C19 C 0.767(3) 0.438(3) 0.838(4) 0.089(12) Uani 0.5 1 d G U . A 2
H19 H 0.775114 0.420879 0.790961 0.107 Uiso 0.5 1 calc R . . A 2
F56 F 0.826(3) 0.570(3) 0.955(5) 0.106(15) Uani 0.5 1 d . U . 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 2.798(2) 2_655 ?
Au01 Au02 2.838(2) . ?
Au01 Au03 2.856(3) . ?
Au01 Au04 2.672(2) . ?
Au01 P07 2.281(10) . ?
Au01 Pd3 2.850(5) . ?
Au01 Au1 3.067(6) . ?
Au02 Au03 3.050(2) 3_665 ?
Au02 Au03 2.799(2) . ?
Au02 Au04 2.726(2) . ?
Au02 Br06 2.503(5) . ?
Au02 Pd3 2.6809(16) . ?
Au03 Au03 2.925(3) 2_655 ?
Au03 Au03 2.925(3) 3_665 ?
Au03 Au04 2.820(8) . ?
Au03 P008 2.296(12) . ?
Au03 Pd3 2.330(10) . ?
Au04 P7 2.54(3) . ?
P07 C00L 1.82(2) . ?
P07 C00Q 1.843(19) . ?
P07 C00U 1.85(2) . ?
P008 C019 1.83(3) . ?
P008 C11 1.82(2) . ?
P008 C17 1.84(2) . ?
F009 C00G 1.26(3) . ?
F00A C018 1.35(4) . ?
F00B C010 1.33(3) . ?
F00C C00Y 1.27(3) . ?
F00D C00H 1.27(4) . ?
F00E C01A 1.35(3) . ?
C00L C00N 1.3900 . ?
C00L C6 1.3900 . ?
C00N C00R 1.3900 . ?
C00R C00H 1.3900 . ?
C00H C00V 1.3900 . ?
C00V C6 1.3900 . ?
C00Q C00O 1.3900 . ?
C00Q C00I 1.3900 . ?
C00O C017 1.3900 . ?
C017 C01A 1.3900 . ?
C01A C014 1.3900 . ?
C014 C00I 1.3900 . ?
C00U C00W 1.3900 . ?
C00U C00X 1.3900 . ?
C00W C016 1.3900 . ?
C016 C00G 1.3900 . ?
C00G C16 1.3900 . ?
C16 C00X 1.3900 . ?
C019 C00P 1.3900 . ?
C019 C36 1.3900 . ?
C00P C00S 1.3900 . ?
C00S C018 1.3900 . ?
C018 C42 1.3900 . ?
C42 C36 1.3900 . ?
C11 C013 1.3900 . ?
C11 C8 1.3900 . ?
C013 C26 1.3900 . ?
C26 C010 1.3900 . ?
C010 C015 1.3900 . ?
C015 C8 1.3900 . ?
C17 C00M 1.3900 . ?
C17 C00J 1.3900 . ?
C00M C012 1.3900 . ?
C012 C00Y 1.3900 . ?
C00Y C00T 1.3900 . ?
C00T C00J 1.3900 . ?
Pd3 Au1 2.645(17) . ?
Au1 P1 2.25(5) . ?
P7 C20 1.81(3) 3_665 ?
P7 C20 1.81(3) . ?
P7 C20 1.81(3) 2_655 ?
C20 C0AA 1.3900 . ?
C20 C83 1.3900 . ?
C0AA C22 1.3900 . ?
C22 C1AA 1.3900 . ?
C1AA C35 1.3900 . ?
C1AA F10 1.24(4) . ?
C35 C83 1.3900 . ?
P1 C2AA 1.82(9) 2_655 ?
P1 C2AA 1.82(12) 3_665 ?
P1 C2AA 1.82(5) . ?
C87 C56 1.3900 . ?
C87 C19 1.3900 . ?
C56 C4AA 1.3900 . ?
C56 F56 1.24(9) . ?
C4AA C3AA 1.3900 . ?
C3AA C2AA 1.3900 . ?
C2AA C19 1.3900 . ?

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
Au02 Au01 Au02 110.70(7) 2_655 . ?
Au02 Au01 Au03 65.28(5) 2_655 . ?
Au02 Au01 Au03 58.88(5) . . ?
Au02 Au01 Pd3 56.24(6) . . ?
Au02 Au01 Pd3 56.66(6) 2_655 . ?
Au02 Au01 Au1 76.63(11) . . ?
Au02 Au01 Au1 77.20(11) 2_655 . ?
Au03 Au01 Au1 101.04(19) . . ?
Au04 Au01 Au02 59.21(8) . . ?
Au04 Au01 Au02 59.72(8) . 2_655 ?
Au04 Au01 Au03 61.2(2) . . ?
P07 Au01 Au02 128.3(3) . . ?
P07 Au01 Au02 116.8(3) . 2_655 ?
P07 Au01 Au03 126.9(2) . . ?
P07 Au01 Au04 170.3(3) . . ?
P07 Au01 Pd3 172.4(3) . . ?
P07 Au01 Au1 131.9(3) . . ?
Pd3 Au01 Au03 48.2(3) . . ?
Pd3 Au01 Au1 53.0(3) . . ?
Au01 Au02 Au01 108.28(7) 3_665 . ?
Au01 Au02 Au03 58.27(5) 3_665 3_665 ?
Au01 Au02 Au03 108.56(7) 3_665 . ?
Au01 Au02 Au03 106.37(6) . 3_665 ?
Au03 Au02 Au01 60.88(6) . . ?
Au03 Au02 Au03 59.81(7) . 3_665 ?
Au04 Au02 Au01 57.83(7) . 3_665 ?
Au04 Au02 Au01 57.35(7) . . ?
Au04 Au02 Au03 58.12(17) . 3_665 ?
Au04 Au02 Au03 61.37(18) . . ?
Br06 Au02 Au01 111.59(13) . 3_665 ?
Br06 Au02 Au01 123.10(13) . . ?
Br06 Au02 Au03 128.76(14) . 3_665 ?
Br06 Au02 Au03 133.93(15) . . ?
Br06 Au02 Au04 164.3(2) . . ?
Br06 Au02 Pd3 173.95(13) . . ?
Pd3 Au02 Au01 62.10(12) . . ?
Pd3 Au02 Au03 50.3(2) . . ?
Au01 Au03 Au02 56.45(6) . 2_655 ?
Au01 Au03 Au03 109.33(4) . 3_665 ?
Au01 Au03 Au03 103.65(5) . 2_655 ?
Au02 Au03 Au01 60.24(6) . . ?
Au02 Au03 Au02 104.80(9) . 2_655 ?
Au02 Au03 Au03 110.31(5) . 2_655 ?
Au02 Au03 Au03 64.37(7) . 3_665 ?
Au02 Au03 Au04 58.04(7) . . ?
Au03 Au03 Au02 103.66(5) 3_665 2_655 ?
Au03 Au03 Au02 55.82(6) 2_655 2_655 ?
Au03 Au03 Au03 60.0 3_665 2_655 ?
Au04 Au03 Au01 56.16(13) . . ?
Au04 Au03 Au02 55.16(5) . 2_655 ?
Au04 Au03 Au03 58.76(10) . 3_665 ?
Au04 Au03 Au03 58.76(10) . 2_655 ?
P008 Au03 Au01 117.5(3) . . ?
P008 Au03 Au02 120.1(3) . . ?
P008 Au03 Au02 122.3(3) . 2_655 ?
P008 Au03 Au03 126.8(3) . 3_665 ?
P008 Au03 Au03 125.7(3) . 2_655 ?
P008 Au03 Au04 173.7(3) . . ?
P008 Au03 Pd3 176.5(4) . . ?
Pd3 Au03 Au01 65.8(2) . . ?
Pd3 Au03 Au02 57.94(10) . 2_655 ?
Pd3 Au03 Au02 62.24(12) . . ?
Pd3 Au03 Au03 51.12(19) . 2_655 ?
Au01 Au04 Au01 117.50(11) 2_655 . ?
Au01 Au04 Au01 117.50(11) 2_655 3_665 ?
Au01 Au04 Au01 117.50(11) . 3_665 ?
Au01 Au04 Au02 63.44(4) 2_655 2_655 ?
Au01 Au04 Au02 178.3(4) . 3_665 ?
Au01 Au04 Au02 63.44(4) . . ?
Au01 Au04 Au02 62.45(4) . 2_655 ?
Au01 Au04 Au02 178.3(4) 2_655 . ?
Au01 Au04 Au02 178.3(4) 3_665 2_655 ?
Au01 Au04 Au02 62.45(4) 3_665 . ?
Au01 Au04 Au02 62.45(4) 2_655 3_665 ?
Au01 Au04 Au02 63.44(4) 3_665 3_665 ?
Au01 Au04 Au03 111.7(2) 3_665 . ?
Au01 Au04 Au03 118.3(2) . 3_665 ?
Au01 Au04 Au03 118.3(2) 2_655 . ?
Au01 Au04 Au03 62.61(10) 2_655 2_655 ?
Au01 Au04 Au03 62.61(10) 3_665 3_665 ?
Au01 Au04 Au03 111.7(2) . 2_655 ?
Au01 Au04 Au03 62.61(10) . . ?
Au01 Au04 Au03 118.3(2) 3_665 2_655 ?
Au01 Au04 Au03 111.7(2) 2_655 3_665 ?
Au02 Au04 Au02 116.56(13) 2_655 3_665 ?
Au02 Au04 Au02 116.56(13) 3_665 . ?
Au02 Au04 Au02 116.56(13) 2_655 . ?
Au02 Au04 Au03 115.8(3) 2_655 3_665 ?
Au02 Au04 Au03 115.8(3) . 2_655 ?
Au02 Au04 Au03 115.8(3) 3_665 . ?
Au02 Au04 Au03 60.60(13) 3_665 3_665 ?
Au02 Au04 Au03 66.71(15) 2_655 . ?
Au02 Au04 Au03 66.72(15) . 3_665 ?
Au02 Au04 Au03 60.60(13) . . ?
Au02 Au04 Au03 66.72(15) 3_665 2_655 ?
Au02 Au04 Au03 60.60(13) 2_655 2_655 ?
Au03 Au04 Au03 62.5(2) 2_655 3_665 ?
Au03 Au04 Au03 62.5(2) 3_665 . ?
Au03 Au04 Au03 62.5(2) 2_655 . ?
P7 Au04 Au01 80.8(2) . 3_665 ?
P7 Au04 Au01 80.8(2) . 2_655 ?
P7 Au04 Au01 80.8(2) . . ?
P7 Au04 Au02 100.8(2) . 3_665 ?
P7 Au04 Au02 100.8(2) . . ?
P7 Au04 Au02 100.8(2) . 2_655 ?
P7 Au04 Au03 143.22(13) . . ?
P7 Au04 Au03 143.22(13) . 3_665 ?
P7 Au04 Au03 143.21(13) . 2_655 ?
C00L P07 Au01 113.1(9) . . ?
C00L P07 C00Q 106.4(12) . . ?
C00L P07 C00U 106.6(12) . . ?
C00Q P07 Au01 113.8(9) . . ?
C00Q P07 C00U 100.7(12) . . ?
C00U P07 Au01 115.1(10) . . ?
C019 P008 Au03 117.0(12) . . ?
C019 P008 C17 107.3(15) . . ?
C11 P008 Au03 114.0(11) . . ?
C11 P008 C019 99.9(17) . . ?
C11 P008 C17 104.7(14) . . ?
C17 P008 Au03 112.6(10) . . ?
C00N C00L P07 118.6(14) . . ?
C00N C00L C6 120.0 . . ?
C6 C00L P07 121.0(14) . . ?
C00R C00N C00L 120.0 . . ?
C00N C00R C00H 120.0 . . ?
F00D C00H C00R 121(3) . . ?
F00D C00H C00V 119(3) . . ?
C00V C00H C00R 120.0 . . ?
C00H C00V C6 120.0 . . ?
C00V C6 C00L 120.0 . . ?
C00O C00Q P07 121.3(13) . . ?
C00O C00Q C00I 120.0 . . ?
C00I C00Q P07 118.7(13) . . ?
C017 C00O C00Q 120.0 . . ?
C00O C017 C01A 120.0 . . ?
F00E C01A C017 120(2) . . ?
F00E C01A C014 120(2) . . ?
C017 C01A C014 120.0 . . ?
C00I C014 C01A 120.0 . . ?
C014 C00I C00Q 120.0 . . ?
C00W C00U P07 122.3(12) . . ?
C00W C00U C00X 120.0 . . ?
C00X C00U P07 117.7(12) . . ?
C016 C00W C00U 120.0 . . ?
C00W C016 C00G 120.0 . . ?
F009 C00G C016 124(2) . . ?
F009 C00G C16 116(2) . . ?
C016 C00G C16 120.0 . . ?
C00X C16 C00G 120.0 . . ?
C16 C00X C00U 120.0 . . ?
C00P C019 P008 115.1(18) . . ?
C00P C019 C36 120.0 . . ?
C36 C019 P008 124.7(17) . . ?
C019 C00P C00S 120.0 . . ?
C018 C00S C00P 120.0 . . ?
F00A C018 C00S 120(3) . . ?
F00A C018 C42 120(3) . . ?
C00S C018 C42 120.0 . . ?
C36 C42 C018 120.0 . . ?
C42 C36 C019 120.0 . . ?
C013 C11 P008 114.5(15) . . ?
C013 C11 C8 120.0 . . ?
C8 C11 P008 125.5(15) . . ?
C11 C013 C26 120.0 . . ?
C010 C26 C013 120.0 . . ?
F00B C010 C26 122(2) . . ?
F00B C010 C015 117(2) . . ?
C015 C010 C26 120.0 . . ?
C010 C015 C8 120.0 . . ?
C015 C8 C11 120.0 . . ?
C00M C17 P008 118.1(15) . . ?
C00M C17 C00J 120.0 . . ?
C00J C17 P008 121.8(15) . . ?
C012 C00M C17 120.0 . . ?
C00M C012 C00Y 120.0 . . ?
F00C C00Y C012 121(2) . . ?
F00C C00Y C00T 119(2) . . ?
C012 C00Y C00T 120.0 . . ?
C00J C00T C00Y 120.0 . . ?
C00T C00J C17 120.0 . . ?
Au01 Pd3 Au01 106.5(3) 2_655 . ?
Au01 Pd3 Au01 106.5(3) 2_655 3_665 ?
Au01 Pd3 Au01 106.5(3) . 3_665 ?
Au02 Pd3 Au01 61.66(9) 3_665 3_665 ?
Au02 Pd3 Au01 154.7(5) 3_665 . ?
Au02 Pd3 Au01 61.66(9) . . ?
Au02 Pd3 Au01 60.70(9) 2_655 . ?
Au02 Pd3 Au01 154.7(5) 2_655 3_665 ?
Au02 Pd3 Au01 154.7(5) . 2_655 ?
Au02 Pd3 Au01 60.70(9) . 3_665 ?
Au02 Pd3 Au01 61.66(9) 2_655 2_655 ?
Au02 Pd3 Au01 60.70(9) 3_665 2_655 ?
Au02 Pd3 Au02 119.73(5) 2_655 3_665 ?
Au02 Pd3 Au02 119.72(5) 2_655 . ?
Au02 Pd3 Au02 119.72(5) 3_665 . ?
Au03 Pd3 Au01 66.04(6) 2_655 2_655 ?
Au03 Pd3 Au01 130.9(2) . 2_655 ?
Au03 Pd3 Au01 122.33(16) . 3_665 ?
Au03 Pd3 Au01 122.33(16) 2_655 . ?
Au03 Pd3 Au01 66.04(6) . . ?
Au03 Pd3 Au01 130.9(2) 3_665 . ?
Au03 Pd3 Au01 130.9(2) 2_655 3_665 ?
Au03 Pd3 Au01 66.04(6) 3_665 3_665 ?
Au03 Pd3 Au01 122.33(16) 3_665 2_655 ?
Au03 Pd3 Au02 139.2(5) 3_665 2_655 ?
Au03 Pd3 Au02 139.2(5) . 3_665 ?
Au03 Pd3 Au02 139.2(5) 2_655 . ?
Au03 Pd3 Au02 74.63(14) . 2_655 ?
Au03 Pd3 Au02 67.50(12) 2_655 2_655 ?
Au03 Pd3 Au02 74.63(14) 2_655 3_665 ?
Au03 Pd3 Au02 74.63(14) 3_665 . ?
Au03 Pd3 Au02 67.49(12) 3_665 3_665 ?
Au03 Pd3 Au02 67.50(12) . . ?
Au03 Pd3 Au03 77.8(4) 2_655 3_665 ?
Au03 Pd3 Au03 77.8(4) 3_665 . ?
Au03 Pd3 Au03 77.8(4) 2_655 . ?
Au03 Pd3 Au1 133.6(2) 2_655 . ?
Au03 Pd3 Au1 133.6(2) 3_665 . ?
Au03 Pd3 Au1 133.6(2) . . ?
Au1 Pd3 Au01 67.7(3) . 2_655 ?
Au1 Pd3 Au01 67.7(3) . . ?
Au1 Pd3 Au02 87.0(3) . . ?
Au1 Pd3 Au02 87.0(3) . 2_655 ?
Au01 Au1 Au01 96.3(2) . 3_665 ?
Au01 Au1 Au01 96.3(2) 2_655 3_665 ?
Au01 Au1 Au01 96.3(2) 2_655 . ?
Pd3 Au1 Au01 59.31(19) . 2_655 ?
Pd3 Au1 Au01 59.31(19) . . ?
P1 Au1 Au01 120.69(19) . 2_655 ?
P1 Au1 Au01 120.69(19) . . ?
P1 Au1 Pd3 180.000(10) . . ?
C20 P7 Au04 116.5(16) . . ?
C20 P7 Au04 116.5(16) 2_655 . ?
C20 P7 Au04 116.5(16) 3_665 . ?
C20 P7 C20 101.6(19) 3_665 . ?
C20 P7 C20 101.6(19) . 2_655 ?
C20 P7 C20 101.6(19) 3_665 2_655 ?
C0AA C20 P7 119(2) . . ?
C0AA C20 C83 120.0 . . ?
C83 C20 P7 120(2) . . ?
C22 C0AA C20 120.0 . . ?
C0AA C22 C1AA 120.0 . . ?
C35 C1AA C22 120.0 . . ?
F10 C1AA C22 117(3) . . ?
F10 C1AA C35 123(3) . . ?
C1AA C35 C83 120.0 . . ?
C35 C83 C20 120.0 . . ?
C2AA P1 Au1 114(3) . . ?
C2AA P1 Au1 114(6) 2_655 . ?
C2AA P1 Au1 114(6) 3_665 . ?
C2AA P1 C2AA 105(5) 3_665 . ?
C2AA P1 C2AA 105(7) . 2_655 ?
C2AA P1 C2AA 105(6) 3_665 2_655 ?
C56 C87 C19 120.0 . . ?
C4AA C56 C87 120.0 . . ?
F56 C56 C87 124(6) . . ?
F56 C56 C4AA 116(6) . . ?
C56 C4AA C3AA 120.0 . . ?
C4AA C3AA C2AA 120.00(6) . . ?
C3AA C2AA P1 126(4) . . ?
C19 C2AA P1 114(4) . . ?
C19 C2AA C3AA 120.0 . . ?
C2AA C19 C87 120.0 . . ?

_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.667 0.424 388 178 ' '
2 0.333 0.333 0.766 384 178 ' '
3 0.667 1.000 0.433 389 178 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2053741'
loop_
_audit_author_name
_audit_author_address
'Xi Xi Kang'
;Anhui University
China
;
_audit_update_record             
;
2021-01-04 deposited with the CCDC.	2021-03-22 downloaded from the CCDC.
;
_audit_creation_date             2020-07-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '1(C126 H84 Au11 Br3 F21 P7)'
_chemical_formula_sum            'C126 H84 Au11 Br3 F21 P7'
_chemical_formula_weight         4620.08
_chemical_absolute_configuration ?
_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'
Br Br -0.6763 1.2805 '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'
P P 0.2955 0.4335 '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      trigonal
_space_group_IT_number           146
_space_group_name_H-M_alt        'R 3'
_space_group_name_Hall           'R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'

_cell_length_a                   26.031
_cell_length_b                   26.031
_cell_length_c                   16.659
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     9775.7
_cell_formula_units_Z            2.999997
_cell_measurement_reflns_used    20345
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      69.63
_cell_measurement_theta_min      4.74
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    25.174
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.354
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6324
_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  0.0393
_diffrn_reflns_av_unetI/netI     0.0362
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            31274
_diffrn_reflns_point_group_measured_fraction_full 0.768
_diffrn_reflns_point_group_measured_fraction_max 0.755
_diffrn_reflns_theta_full        67.686
_diffrn_reflns_theta_max         69.769
_diffrn_reflns_theta_min         4.737
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  STOE
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   ?
_reflns_Friedel_coverage         0.524
_reflns_Friedel_fraction_full    0.537
_reflns_Friedel_fraction_max     0.519
_reflns_number_gt                5680
_reflns_number_total             6218
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.091
_refine_diff_density_min         -1.349
_refine_diff_density_rms         0.136
_refine_ls_abs_structure_details 
;
 Flack x determined using 1765 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.005(15)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         6218
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0346
_refine_ls_restrained_S_all      0.992
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0598P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0856
_refine_ls_wR_factor_ref         0.0866
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00E(H00E), C00K(H00K), C00L(H00L), C00N(H00N), C00O(H00O), C00P(H00P),
 C00Q(H00Q), C00S(H00S), C00U(H00U), C00V(H00V), C00X(H00X), C00Y(H00Y),
 C010(H010), C011(H011), C015(H015), C017(H017), C018(H018), C01C(H01C),
 C01D(H01D), C01E(H01E), C01F(H01F), C5(H5), C4(H4), C10(H10), C1(H1), C2(H2),
 C0AA(H0AA), C6(H6)
;
_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 0.70743(3) 0.45123(3) 0.47103(4) 0.04564(16) Uani 1 1 d . . . . .
Au02 Au 0.59449(3) 0.36999(3) 0.40252(4) 0.04359(15) Uani 1 1 d . . . . .
Au03 Au 0.666667 0.333333 0.46355(6) 0.0407(2) Uani 1 3 d S T P . .
Au04 Au 0.62457(3) 0.36814(3) 0.58425(4) 0.04494(15) Uani 1 1 d . . . . .
Au05 Au 0.666667 0.333333 0.30814(7) 0.0504(3) Uani 1 3 d S T P . .
Br00 Br 0.75100(10) 0.56060(9) 0.47429(16) 0.0735(6) Uani 1 1 d . . . . .
P007 P 0.52445(17) 0.39135(18) 0.3580(3) 0.0467(8) Uani 1 1 d . . . . .
P008 P 0.666667 0.333333 0.1725(5) 0.0520(16) Uani 1 3 d S T P . .
P009 P 0.58186(19) 0.39894(19) 0.6785(3) 0.0490(9) Uani 1 1 d . . . . .
F00A F 0.5252(6) 0.5795(5) 0.5574(9) 0.083(4) Uani 1 1 d . . . . .
F00B F 0.7329(5) 0.5024(5) 0.9660(6) 0.068(3) Uani 1 1 d . . . . .
F00C F 0.4257(5) 0.2954(5) 0.0369(7) 0.072(3) Uani 1 1 d . . . . .
F00D F 0.3137(5) 0.2990(6) 0.5685(8) 0.084(4) Uani 1 1 d . . . . .
C00E C 0.4809(8) 0.3060(8) 0.2367(11) 0.056(4) Uani 1 1 d . . . . .
H00E H 0.487209 0.282653 0.273091 0.067 Uiso 1 1 calc R . . . .
F00F F 0.6074(8) 0.6484(7) 0.3400(11) 0.112(5) Uani 1 1 d . . . . .
F00G F 0.3703(6) 0.1874(6) 0.8166(9) 0.090(4) Uani 1 1 d . . . . .
F00H F 0.5930(6) 0.4982(6) 0.0483(11) 0.098(5) Uani 1 1 d . . . . .
C00I C 0.5499(8) 0.4695(8) 0.3559(10) 0.053(4) Uani 1 1 d . . . . .
C00J C 0.4959(6) 0.3632(8) 0.2571(10) 0.050(4) Uani 1 1 d . . . . .
C00K C 0.6618(7) 0.4366(7) 0.1695(11) 0.054(4) Uani 1 1 d . . . . .
H00K H 0.684676 0.445880 0.215833 0.065 Uiso 1 1 calc R . . . .
C00L C 0.6272(10) 0.4775(9) 0.8096(12) 0.068(5) Uani 1 1 d . . . . .
H00L H 0.601268 0.490591 0.794331 0.082 Uiso 1 1 calc R . . . .
C00M C 0.4575(7) 0.3578(8) 0.4204(9) 0.050(4) Uani 1 1 d . . . . .
C00N C 0.7029(7) 0.4379(7) 0.8564(12) 0.056(4) Uani 1 1 d . . . . .
H00N H 0.728699 0.424733 0.871967 0.067 Uiso 1 1 calc R . . . .
C00O C 0.6076(7) 0.3683(8) 0.0619(11) 0.055(4) Uani 1 1 d . . . . .
H00O H 0.593522 0.331736 0.037025 0.066 Uiso 1 1 calc R . . . .
C00P C 0.5981(8) 0.4920(8) 0.5843(11) 0.057(4) Uani 1 1 d . . . . .
H00P H 0.630108 0.489515 0.564117 0.069 Uiso 1 1 calc R . . . .
C00Q C 0.4008(9) 0.3427(9) 0.3907(13) 0.068(5) Uani 1 1 d . . . . .
H00Q H 0.397409 0.348352 0.336303 0.082 Uiso 1 1 calc R . . . .
C00R C 0.5618(8) 0.4514(8) 0.6411(11) 0.052(4) Uani 1 1 d . . . . .
C00S C 0.4896(7) 0.2839(8) 0.6812(12) 0.060(4) Uani 1 1 d . . . . .
H00S H 0.504792 0.282266 0.631284 0.072 Uiso 1 1 calc R . . . .
C00T C 0.6295(7) 0.4345(7) 0.7651(12) 0.056(4) Uani 1 1 d . . . . .
C00U C 0.5117(10) 0.4537(9) 0.6698(13) 0.069(5) Uani 1 1 d . . . . .
H00U H 0.486889 0.426469 0.707919 0.082 Uiso 1 1 calc R . . . .
C00V C 0.3512(8) 0.3205(8) 0.4360(12) 0.061(4) Uani 1 1 d . . . . .
H00V H 0.313863 0.308534 0.414907 0.073 Uiso 1 1 calc R . . . .
C00W C 0.6456(8) 0.3843(8) 0.1308(11) 0.058(4) Uani 1 1 d . . . . .
C00X C 0.6080(9) 0.5092(8) 0.3484(11) 0.058(4) Uani 1 1 d . . . . .
H00X H 0.634933 0.495603 0.346073 0.069 Uiso 1 1 calc R . . . .
C00Y C 0.4874(8) 0.3996(9) 0.2003(10) 0.055(4) Uani 1 1 d . . . . .
H00Y H 0.497860 0.438355 0.213485 0.066 Uiso 1 1 calc R . . . .
C00Z C 0.3613(8) 0.3173(9) 0.5165(12) 0.066(5) Uani 1 1 d . . . . .
C010 C 0.4904(8) 0.3400(9) 0.7937(14) 0.066(5) Uani 1 1 d . . . . .
H010 H 0.506736 0.376424 0.819845 0.079 Uiso 1 1 calc R . . . .
C011 C 0.4412(8) 0.2311(9) 0.7125(12) 0.066(5) Uani 1 1 d . . . . .
H011 H 0.425184 0.194579 0.686873 0.080 Uiso 1 1 calc R . . . .
C012 C 0.5378(9) 0.5362(8) 0.5847(12) 0.062(5) Uani 1 1 d . . . . .
C014 C 0.6996(8) 0.4814(8) 0.8988(10) 0.055(4) Uani 1 1 d . . . . .
C015 C 0.4574(8) 0.2840(9) 0.1647(11) 0.060(4) Uani 1 1 d . . . . .
H015 H 0.447109 0.245364 0.151183 0.072 Uiso 1 1 calc R . . . .
C016 C 0.4486(7) 0.3181(8) 0.1116(10) 0.052(4) Uani 1 1 d . . . . .
C017 C 0.6454(8) 0.4749(8) 0.1422(12) 0.059(4) Uani 1 1 d . . . . .
H017 H 0.656619 0.510023 0.169740 0.071 Uiso 1 1 calc R . . . .
C018 C 0.6674(7) 0.4147(7) 0.7910(11) 0.051(4) Uani 1 1 d . . . . .
H018 H 0.668446 0.384520 0.762573 0.061 Uiso 1 1 calc R . . . .
C019 C 0.5149(8) 0.3368(8) 0.7207(10) 0.053(4) Uani 1 1 d . . . . .
C01A C 0.5860(12) 0.5871(10) 0.3437(14) 0.079(6) Uani 1 1 d . . . . .
C01B C 0.6127(10) 0.4624(8) 0.0749(16) 0.078(7) Uani 1 1 d . . . . .
C01C C 0.4996(11) 0.4966(11) 0.6409(13) 0.077(6) Uani 1 1 d . . . . .
H01C H 0.466788 0.498636 0.658809 0.093 Uiso 1 1 calc R . . . .
C01D C 0.6295(10) 0.5705(9) 0.3440(14) 0.069(5) Uani 1 1 d . . . . .
H01D H 0.669801 0.598071 0.341477 0.083 Uiso 1 1 calc R . . . .
C01E C 0.5098(9) 0.4905(9) 0.3600(12) 0.064(5) Uani 1 1 d . . . . .
H01E H 0.469582 0.463760 0.366848 0.077 Uiso 1 1 calc R . . . .
C01F C 0.4157(9) 0.3340(12) 0.5496(14) 0.081(7) Uani 1 1 d . . . . .
H01F H 0.420254 0.332469 0.604787 0.097 Uiso 1 1 calc R . . . .
C01G C 0.4203(9) 0.2393(12) 0.7847(14) 0.080(7) Uani 1 1 d . . . . .
C5 C 0.5292(10) 0.5502(9) 0.3541(13) 0.067(5) Uani 1 1 d . . . . .
H5 H 0.502529 0.564134 0.357390 0.080 Uiso 1 1 calc R . . . .
C4 C 0.5926(10) 0.4088(9) 0.0339(14) 0.072(5) Uani 1 1 d . . . . .
H4 H 0.569365 0.400628 -0.011937 0.086 Uiso 1 1 calc R . . . .
C10 C 0.4640(7) 0.3772(8) 0.1270(10) 0.055(4) Uani 1 1 d . . . . .
H10 H 0.458379 0.399911 0.088734 0.067 Uiso 1 1 calc R . . . .
C1 C 0.5878(9) 0.5363(8) 0.5567(13) 0.066(5) Uani 1 1 d . . . . .
H1 H 0.613594 0.564907 0.520691 0.079 Uiso 1 1 calc R . . . .
C2 C 0.4632(9) 0.3532(11) 0.4985(11) 0.070(5) Uani 1 1 d . . . . .
H2 H 0.500141 0.363051 0.519323 0.084 Uiso 1 1 calc R . . . .
C0AA C 0.4429(9) 0.2914(10) 0.8288(13) 0.067(5) Uani 1 1 d . . . . .
H0AA H 0.427233 0.293422 0.878086 0.080 Uiso 1 1 calc R . . . .
C6 C 0.6631(10) 0.5025(10) 0.8781(12) 0.070(5) Uani 1 1 d . . . . .
H6 H 0.661829 0.532050 0.907851 0.084 Uiso 1 1 calc R . . . .


_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 2.8226(9) 3_665 ?
Au01 Au02 2.8637(9) . ?
Au01 Au03 2.7026(6) . ?
Au01 Au04 3.1925(9) 3_665 ?
Au01 Au04 2.8675(9) . ?
Au01 Br00 2.483(2) . ?
Au02 Au01 2.8228(9) 2_655 ?
Au02 Au03 2.6957(7) . ?
Au02 Au04 3.1333(9) . ?
Au02 Au05 2.9505(9) . ?
Au02 P007 2.280(4) . ?
Au03 Au01 2.7026(6) 2_655 ?
Au03 Au01 2.7026(6) 3_665 ?
Au03 Au02 2.6956(7) 3_665 ?
Au03 Au02 2.6956(7) 2_655 ?
Au03 Au04 2.6565(10) 2_655 ?
Au03 Au04 2.6565(10) 3_665 ?
Au03 Au04 2.6566(10) . ?
Au03 Au05 2.5890(15) . ?
Au04 Au01 3.1925(9) 2_655 ?
Au04 Au04 3.0073(10) 3_665 ?
Au04 Au04 3.0072(10) 2_655 ?
Au04 P009 2.288(4) . ?
Au05 Au02 2.9504(9) 2_655 ?
Au05 Au02 2.9504(9) 3_665 ?
Au05 P008 2.259(8) . ?
P007 C00I 1.796(18) . ?
P007 C00J 1.835(17) . ?
P007 C00M 1.833(16) . ?
P008 C00W 1.811(19) 2_655 ?
P008 C00W 1.811(19) 3_665 ?
P008 C00W 1.811(19) . ?
P009 C00R 1.800(16) . ?
P009 C00T 1.83(2) . ?
P009 C019 1.824(17) . ?
F00A C012 1.40(2) . ?
F00B C014 1.35(2) . ?
F00C C016 1.38(2) . ?
F00D C00Z 1.39(2) . ?
C00E C00J 1.38(2) . ?
C00E C015 1.34(2) . ?
F00F C01A 1.40(2) . ?
F00G C01G 1.43(2) . ?
F00H C01B 1.35(2) . ?
C00I C00X 1.35(3) . ?
C00I C01E 1.40(2) . ?
C00J C00Y 1.43(2) . ?
C00K C00W 1.37(2) . ?
C00K C017 1.35(3) . ?
C00L C00T 1.37(3) . ?
C00L C6 1.41(3) . ?
C00M C00Q 1.41(2) . ?
C00M C2 1.32(2) . ?
C00N C014 1.37(2) . ?
C00N C018 1.36(3) . ?
C00O C00W 1.43(3) . ?
C00O C4 1.37(3) . ?
C00P C00R 1.38(3) . ?
C00P C1 1.39(3) . ?
C00Q C00V 1.35(3) . ?
C00R C00U 1.42(3) . ?
C00S C011 1.42(3) . ?
C00S C019 1.36(3) . ?
C00T C018 1.39(2) . ?
C00U C01C 1.39(3) . ?
C00V C00Z 1.38(3) . ?
C00X C01D 1.40(3) . ?
C00Y C10 1.36(2) . ?
C00Z C01F 1.37(3) . ?
C010 C019 1.40(3) . ?
C010 C0AA 1.38(3) . ?
C011 C01G 1.38(3) . ?
C012 C01C 1.38(3) . ?
C012 C1 1.38(3) . ?
C014 C6 1.36(3) . ?
C015 C016 1.35(3) . ?
C016 C10 1.40(3) . ?
C017 C01B 1.34(3) . ?
C01A C01D 1.40(3) . ?
C01A C5 1.31(3) . ?
C01B C4 1.40(3) . ?
C01E C5 1.38(3) . ?
C01F C2 1.37(3) . ?
C01G C0AA 1.39(3) . ?

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
Au02 Au01 Au02 99.01(3) 3_665 . ?
Au02 Au01 Au04 109.99(3) 3_665 . ?
Au02 Au01 Au04 66.28(2) . . ?
Au02 Au01 Au04 62.43(2) 3_665 3_665 ?
Au02 Au01 Au04 106.86(2) . 3_665 ?
Au03 Au01 Au02 58.35(2) . 3_665 ?
Au03 Au01 Au02 57.85(2) . . ?
Au03 Au01 Au04 52.78(2) . 3_665 ?
Au03 Au01 Au04 56.88(2) . . ?
Au04 Au01 Au04 59.22(3) . 3_665 ?
Br00 Au01 Au02 117.97(6) . 3_665 ?
Br00 Au01 Au02 124.56(6) . . ?
Br00 Au01 Au03 176.32(6) . . ?
Br00 Au01 Au04 126.20(7) . . ?
Br00 Au01 Au04 126.08(6) . 3_665 ?
Au01 Au02 Au01 110.63(3) 2_655 . ?
Au01 Au02 Au04 64.58(2) 2_655 . ?
Au01 Au02 Au04 56.92(2) . . ?
Au01 Au02 Au05 82.33(2) . . ?
Au01 Au02 Au05 83.03(2) 2_655 . ?
Au03 Au02 Au01 58.078(18) . . ?
Au03 Au02 Au01 58.593(18) . 2_655 ?
Au03 Au02 Au04 53.59(3) . . ?
Au03 Au02 Au05 54.36(3) . . ?
Au05 Au02 Au04 107.79(3) . . ?
P007 Au02 Au01 126.90(11) . . ?
P007 Au02 Au01 114.75(11) . 2_655 ?
P007 Au02 Au03 173.22(11) . . ?
P007 Au02 Au04 123.69(11) . . ?
P007 Au02 Au05 128.43(11) . . ?
Au01 Au03 Au01 119.789(4) 3_665 . ?
Au01 Au03 Au01 119.789(4) . 2_655 ?
Au01 Au03 Au01 119.789(4) 3_665 2_655 ?
Au02 Au03 Au01 160.48(5) 2_655 . ?
Au02 Au03 Au01 64.08(2) 2_655 2_655 ?
Au02 Au03 Au01 63.05(2) 2_655 3_665 ?
Au02 Au03 Au01 63.05(2) 3_665 . ?
Au02 Au03 Au01 160.48(5) 3_665 2_655 ?
Au02 Au03 Au01 64.08(2) . . ?
Au02 Au03 Au01 63.05(2) . 2_655 ?
Au02 Au03 Au01 64.08(2) 3_665 3_665 ?
Au02 Au03 Au01 160.48(5) . 3_665 ?
Au02 Au03 Au02 106.66(3) 2_655 3_665 ?
Au02 Au03 Au02 106.66(3) 2_655 . ?
Au02 Au03 Au02 106.66(3) 3_665 . ?
Au04 Au03 Au01 64.69(2) 2_655 2_655 ?
Au04 Au03 Au01 127.82(4) 2_655 . ?
Au04 Au03 Au01 127.82(4) . 3_665 ?
Au04 Au03 Au01 127.82(4) 3_665 2_655 ?
Au04 Au03 Au01 73.12(2) 3_665 . ?
Au04 Au03 Au01 64.69(2) 3_665 3_665 ?
Au04 Au03 Au01 64.69(2) . . ?
Au04 Au03 Au01 73.12(2) . 2_655 ?
Au04 Au03 Au01 73.12(2) 2_655 3_665 ?
Au04 Au03 Au02 71.66(2) 2_655 2_655 ?
Au04 Au03 Au02 71.66(2) 3_665 3_665 ?
Au04 Au03 Au02 130.86(3) 3_665 . ?
Au04 Au03 Au02 121.11(2) 3_665 2_655 ?
Au04 Au03 Au02 121.11(2) . 3_665 ?
Au04 Au03 Au02 130.86(3) . 2_655 ?
Au04 Au03 Au02 71.66(2) . . ?
Au04 Au03 Au02 130.86(3) 2_655 3_665 ?
Au04 Au03 Au02 121.11(2) 2_655 . ?
Au04 Au03 Au04 68.95(3) 2_655 3_665 ?
Au04 Au03 Au04 68.94(3) 2_655 . ?
Au04 Au03 Au04 68.95(3) 3_665 . ?
Au05 Au03 Au01 92.64(3) . . ?
Au05 Au03 Au01 92.64(3) . 2_655 ?
Au05 Au03 Au01 92.64(3) . 3_665 ?
Au05 Au03 Au02 67.84(2) . 2_655 ?
Au05 Au03 Au02 67.84(2) . 3_665 ?
Au05 Au03 Au02 67.84(2) . . ?
Au05 Au03 Au04 139.188(19) . 2_655 ?
Au05 Au03 Au04 139.188(19) . 3_665 ?
Au05 Au03 Au04 139.188(19) . . ?
Au01 Au04 Au01 100.86(3) . 2_655 ?
Au01 Au04 Au02 56.80(2) . . ?
Au01 Au04 Au04 65.78(2) . 3_665 ?
Au01 Au04 Au04 110.00(2) . 2_655 ?
Au02 Au04 Au01 52.99(2) . 2_655 ?
Au03 Au04 Au01 58.431(19) . . ?
Au03 Au04 Au01 54.104(17) . 2_655 ?
Au03 Au04 Au02 54.75(2) . . ?
Au03 Au04 Au04 55.526(15) . 3_665 ?
Au03 Au04 Au04 55.527(15) . 2_655 ?
Au04 Au04 Au01 55.00(2) 2_655 2_655 ?
Au04 Au04 Au01 101.81(2) 3_665 2_655 ?
Au04 Au04 Au02 104.859(16) 3_665 . ?
Au04 Au04 Au02 98.738(18) 2_655 . ?
Au04 Au04 Au04 60.0 2_655 3_665 ?
P009 Au04 Au01 120.07(11) . . ?
P009 Au04 Au01 122.57(12) . 2_655 ?
P009 Au04 Au02 119.25(11) . . ?
P009 Au04 Au03 173.95(11) . . ?
P009 Au04 Au04 130.06(11) . 3_665 ?
P009 Au04 Au04 127.99(11) . 2_655 ?
Au02 Au05 Au02 94.24(3) 3_665 . ?
Au02 Au05 Au02 94.25(3) 2_655 . ?
Au02 Au05 Au02 94.24(3) 2_655 3_665 ?
Au03 Au05 Au02 57.80(2) . 3_665 ?
Au03 Au05 Au02 57.80(2) . 2_655 ?
Au03 Au05 Au02 57.80(2) . . ?
P008 Au05 Au02 122.20(2) . 2_655 ?
P008 Au05 Au02 122.20(2) . 3_665 ?
P008 Au05 Au02 122.20(2) . . ?
P008 Au05 Au03 180.0 . . ?
C00I P007 Au02 113.3(6) . . ?
C00I P007 C00J 106.3(8) . . ?
C00I P007 C00M 105.9(8) . . ?
C00J P007 Au02 114.5(5) . . ?
C00M P007 Au02 112.7(6) . . ?
C00M P007 C00J 103.3(7) . . ?
C00W P008 Au05 112.6(6) . . ?
C00W P008 Au05 112.6(6) 3_665 . ?
C00W P008 Au05 112.6(6) 2_655 . ?
C00W P008 C00W 106.2(7) 3_665 2_655 ?
C00W P008 C00W 106.2(7) 2_655 . ?
C00W P008 C00W 106.2(7) 3_665 . ?
C00R P009 Au04 113.9(6) . . ?
C00R P009 C00T 105.7(8) . . ?
C00R P009 C019 107.2(8) . . ?
C00T P009 Au04 113.2(5) . . ?
C019 P009 Au04 111.7(6) . . ?
C019 P009 C00T 104.5(8) . . ?
C015 C00E C00J 120.3(17) . . ?
C00X C00I P007 120.6(13) . . ?
C00X C00I C01E 118.4(17) . . ?
C01E C00I P007 121.1(15) . . ?
C00E C00J P007 119.8(13) . . ?
C00E C00J C00Y 119.8(16) . . ?
C00Y C00J P007 120.4(14) . . ?
C017 C00K C00W 121.5(19) . . ?
C00T C00L C6 122(2) . . ?
C00Q C00M P007 123.1(14) . . ?
C2 C00M P007 118.6(14) . . ?
C2 C00M C00Q 117.9(17) . . ?
C018 C00N C014 117.9(17) . . ?
C4 C00O C00W 117.9(18) . . ?
C00R C00P C1 121.4(18) . . ?
C00V C00Q C00M 124.4(19) . . ?
C00P C00R P009 118.1(13) . . ?
C00P C00R C00U 119.4(16) . . ?
C00U C00R P009 122.5(14) . . ?
C019 C00S C011 123.2(19) . . ?
C00L C00T P009 123.1(15) . . ?
C00L C00T C018 117.7(19) . . ?
C018 C00T P009 119.0(13) . . ?
C01C C00U C00R 120.0(19) . . ?
C00Q C00V C00Z 113.6(18) . . ?
C00K C00W P008 119.5(15) . . ?
C00K C00W C00O 119.5(18) . . ?
C00O C00W P008 120.8(14) . . ?
C00I C00X C01D 122.3(17) . . ?
C10 C00Y C00J 119.6(17) . . ?
C00V C00Z F00D 117.6(17) . . ?
C01F C00Z F00D 117.5(19) . . ?
C01F C00Z C00V 124.8(19) . . ?
C0AA C010 C019 123(2) . . ?
C01G C011 C00S 114(2) . . ?
C01C C012 F00A 116.7(19) . . ?
C01C C012 C1 123.9(19) . . ?
C1 C012 F00A 119.4(19) . . ?
F00B C014 C00N 117.8(17) . . ?
F00B C014 C6 118.9(17) . . ?
C6 C014 C00N 123.2(18) . . ?
C00E C015 C016 119.8(18) . . ?
F00C C016 C10 117.4(15) . . ?
C015 C016 F00C 119.2(16) . . ?
C015 C016 C10 123.4(16) . . ?
C01B C017 C00K 119.9(18) . . ?
C00N C018 C00T 122.4(17) . . ?
C00S C019 P009 118.4(13) . . ?
C00S C019 C010 118.5(17) . . ?
C010 C019 P009 123.0(15) . . ?
C01D C01A F00F 115(2) . . ?
C5 C01A F00F 120(2) . . ?
C5 C01A C01D 124(2) . . ?
F00H C01B C4 117(2) . . ?
C017 C01B F00H 121(2) . . ?
C017 C01B C4 121.7(19) . . ?
C012 C01C C00U 118(2) . . ?
C01A C01D C00X 115(2) . . ?
C5 C01E C00I 121(2) . . ?
C00Z C01F C2 118(2) . . ?
C011 C01G F00G 115(2) . . ?
C011 C01G C0AA 127(2) . . ?
C0AA C01G F00G 117.9(19) . . ?
C01A C5 C01E 118.5(19) . . ?
C00O C4 C01B 119(2) . . ?
C00Y C10 C016 117.1(16) . . ?
C012 C1 C00P 117.4(19) . . ?
C00M C2 C01F 121.5(19) . . ?
C010 C0AA C01G 114.8(18) . . ?
C014 C6 C00L 117.1(18) . . ?

_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 0.000 0.333 -0.356 432.4 42.8 ?
2 0.333 0.000 -0.808 432.4 42.8 ?
3 0.667 0.667 -0.141 432.4 42.8 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2053742'
loop_
_audit_author_name
_audit_author_address
'Xi Xi Kang'
;Anhui University
China
;
_audit_update_record             
;
2021-01-04 deposited with the CCDC.	2021-03-22 downloaded from the CCDC.
;
_audit_creation_date             2020-11-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '3(C180 H120 Au23 Br7 F30 P10 Pd2)'
_chemical_formula_sum            'C540 H360 Au69 Br21 F89 P30 Pd6'
_chemical_formula_weight         25375.56
_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'
Br Br -0.6763 1.2805 '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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   46.483
_cell_length_b                   77.477
_cell_length_c                   19.619
_cell_angle_alpha                90
_cell_angle_beta                 106.04
_cell_angle_gamma                90
_cell_volume                     67904.4
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3528
_cell_measurement_temperature    160
_cell_measurement_theta_max      60.20
_cell_measurement_theta_min      3.52
_shelx_estimated_absorpt_T_max   0.219
_shelx_estimated_absorpt_T_min   0.147
_exptl_absorpt_coefficient_mu    31.130
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_correction_T_min  0.30
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark black'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    2.482
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             45252
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0502
_diffrn_reflns_av_unetI/netI     0.0609
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       55
_diffrn_reflns_limit_h_min       -55
_diffrn_reflns_limit_k_max       90
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            199939
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        67.686
_diffrn_reflns_theta_max         70.058
_diffrn_reflns_theta_min         3.423
_diffrn_ambient_temperature      160
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  STOE
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                44061
_reflns_number_total             61996
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         4.970
_refine_diff_density_min         -6.065
_refine_diff_density_rms         0.440
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.975
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2916
_refine_ls_number_reflns         61996
_refine_ls_number_restraints     2894
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_gt           0.0670
_refine_ls_restrained_S_all      0.965
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1375P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1776
_refine_ls_wR_factor_ref         0.1928
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained planarity
 P01O, C3BA, C09E, C8AB, C1, C2, C2BA, F26A
 with sigma of 0.1
 F26, C120, C138, C06R, C8AA, C09D, C07F
 with sigma of 0.1
 P01O, C05H, C132, C09J, C3AA, C1BA, C09W, F146
 with sigma of 0.1
3. Uiso/Uaniso restraints and constraints
C10 \\sim F143 \\sim C6AA \\sim C06Z \\sim C2AA \\sim C03W \\sim C07R \\sim
P01Q: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
P01O \\sim Au0U \\sim C3BA \\sim C07F \\sim C06R \\sim C09D \\sim C8AA \\sim
C138 \\sim C120 \\sim F26 \\sim F26A \\sim C8AB \\sim C1 \\sim C09E \\sim C2BA
\\sim C2: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
P01O \\sim C05H \\sim C132 \\sim C09J \\sim C3AA \\sim F146 \\sim C1BA \\sim
C09W: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
P01O \\sim C186 \\sim C156 \\sim C154 \\sim C1AA \\sim F177 \\sim C56 \\sim
C63: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
P01P \\sim C04J \\sim C08Z \\sim C174 \\sim C191 \\sim C113 \\sim C46 \\sim
F151: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
P01P \\sim C051 \\sim C106 \\sim C137 \\sim C22 \\sim F145 \\sim C134 \\sim
C09K: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
P01K \\sim C02P \\sim C36 \\sim C95 \\sim C83 \\sim F0AA \\sim C129 \\sim C05T:
within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
P01P \\sim C06C \\sim C06B \\sim C198 \\sim C126 \\sim F12 \\sim C135 \\sim
C67: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
P01M \\sim C03U \\sim C101 \\sim C9AA \\sim C144 \\sim F08G \\sim C112 \\sim
C61: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
P01R \\sim C04Y \\sim C05N \\sim C98 \\sim C125 \\sim C93 \\sim C55 \\sim F122:
within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
P01R \\sim C065 \\sim C07O \\sim C173 \\sim C114 \\sim F8AA \\sim C0BA \\sim
C0A0: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
P01R \\sim C06T \\sim C092 \\sim C164 \\sim C89 \\sim F123 \\sim C3 \\sim C130:
within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
P01I \\sim C03A \\sim C02U \\sim C03N \\sim C06N \\sim F02D \\sim C05X \\sim
C03H: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
P01G \\sim C02E \\sim C4AA \\sim C116 \\sim C76 \\sim F4 \\sim C0AA \\sim C04T:
within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
C05F \\sim C06M \\sim C49 \\sim C103 \\sim C141 \\sim C09N \\sim F17: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
P01M \\sim C04S \\sim C24 \\sim C089 \\sim C166 \\sim C07J \\sim C062 \\sim
F031: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
P01S \\sim C04K \\sim C08X \\sim C104 \\sim C110 \\sim F2 \\sim C8 \\sim C07H:
within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
C02N \\sim C06V \\sim P01E \\sim C02M \\sim C03D \\sim C055 \\sim C06I \\sim
F021: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
C08X \\sim C04K \\sim C07H \\sim C8 \\sim C110 \\sim C104 \\sim F2: within 3.8A
with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Sof(C3BA)=Sof(C09E)=Sof(H09E)=Sof(C8AB)=Sof(H8AB)=Sof(C1)=Sof(C2)=Sof(H2)=
 Sof(C2BA)=Sof(H2BA)=Sof(F26A)=1-FVAR(1)
 Sof(F26)=Sof(C07F)=Sof(C09D)=Sof(H09D)=Sof(C8AA)=Sof(H8AA)=Sof(C138)=
 Sof(C120)=Sof(H120)=Sof(C06R)=Sof(H06R)=FVAR(1)
 Fixed Sof: F146(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C02W(H02W), C04E(H04E), C078(H078), C04A(H04A), C02F(H02F), C033(H033),
 C05Y(H05Y), C05A(H05A), C4AA(H4AA), C116(H116), C0AA(H0AA), C04T(H04T),
 C06F(H06F), C07Q(H07Q), C044(H044), C038(H038), C05U(H05U), C40(H40),
 C04O(H04O), C03G(H03G), C02M(H02M), C03D(H03D), C06I(H06I), C06V(H06V),
 C05T(H05T), C129(H129), C95(H95), C36(H36), C03L(H03L), C07G(H07G), C07C(H07C),
  C04N(H04N), C073(H073), C105(H105), C03Q(H03Q), C043(H043), C04C(H04C),
 C05E(H05E), C07M(H07M), C05D(H05D), C02Y(H02Y), C03X(H03X), C06Y(H06Y),
 C04Q(H04Q), C03H(H03H), C05X(H05X), C03N(H03N), C02U(H02U), C04H(H04H),
 C06Q(H06Q), C06H(H06H), C04F(H04F), C03Y(H03Y), C049(H049), C05K(H05K),
 C03T(H03T), C047(H047), C07I(H07I), C06D(H06D), C04X(H04X), C04W(H04W),
 C07A(H07A), C07K(H07K), C05S(H05S), C036(H036), C03S(H03S), C06G(H06G),
 C03R(H03R), C03O(H03O), C02S(H02S), C05J(H05J), C7(H7), C04I(H04I), C071(H071),
  C07S(H07S), C053(H053), C07R(H07R), C10(H10), C06Z(H06Z), C2AA(H2AA),
 C06S(H06S), C07W(H07W), C054(H054), C050(H050), C040(H040), C061(H061),
 C167(H167), C05Z(H05Z), C03C(H03C), C08D(H08D), C06E(H06E), C03V(H03V),
 C05L(H05L), C072(H072), C150(H150), C05R(H05R), C08X(H08X), C104(H104), C8(H8),
  C07H(H07H), C04P(H04P), C05C(H05C), C07D(H07D), C04V(H04V), C062(H062),
 C07J(H07J), C089(H089), C24(H24), C55(H55), C93(H93), C98(H98), C05N(H05N),
 C039(H039), C058(H058), C084(H084), C06J(H06J), C05V(H05V), C075(H075),
 C168(H168), C143(H143), C06O(H06O), C066(H066), C07X(H07X), C04U(H04U),
 C08A(H08A), C07E(H07E), C04Z(H04Z), C05M(H05M), C09K(H09K), C106(H106),
 C137(H137), C134(H134), C09W(H09W), C1BA(H1BA), C09J(H09J), C132(H132),
 C141(H141), C09N(H09N), C06M(H06M), C49(H49), C135(H135), C67(H67), C06B(H06B),
  C198(H198), C070(H070), C03I(H03I), C063(H063), C081(H081), C5AA(H5AA),
 C05G(H05G), C02V(H02V), C035(H035), C112(H112), C61(H61), C101(H101),
 C9AA(H9AA), C174(H174), C08Z(H08Z), C46(H46), C113(H113), C173(H173),
 C07O(H07O), C0A0(H0A0), C0BA(H0BA), C187(H187), C076(H076), C06A(H06A),
 C155(H155), C3(H3), C130(H130), C092(H092), C164(H164), C56(H56), C154(H154),
 C156(H156), C63(H63), C09D(H09D), C8AA(H8AA), C120(H120), C06R(H06R),
 C09E(H09E), C8AB(H8AB), C2(H2), C2BA(H2BA)
5.b Fitted hexagon refined as free rotating group:
 C027(C02W,C04E,C05P,C078,C04A), C02C(C02F,C033,C06L,C05Y,C05A), C02E(C4AA,
 C116,C76,C0AA,C04T), C02G(C06F,C07Q,C05W,C044,C038), C02H(C05U,C40,C080,C04O,
 C03G), C02N(C02M,C03D,C055,C06I,C06V), C02P(C05T,C129,C83,C95,C36), C02T(C03L,
 C07G,C04M,C07C,C04N), C02Z(C073,C105,C069,C03Q,C043), C032(C04C,C05E,C05O,C07M,
 C05D), C034(C02Y,C03X,C07L,C06Y,C04Q), C03A(C03H,C05X,C06N,C03N,C02U),
 C03B(C04H,C06Q,C056,C06H,C04F), C03F(C03Y,C049,C045,C05K,C03T), C03J(C047,C07I,
 C06K,C06D,C04X), C03K(C04W,C07A,C07T,C07K,C05S), C03M(C036,C03S,C05B,C06G,
 C03R), C03O(C02S,C02J,C05J,C7,C5), C03P(C04I,C071,C148,C07S,C053), C03W(C07R,
 C10,C6AA,C06Z,C2AA), C03Z(C06S,C07W,C085,C054,C050), C042(C040,C061,C7AA,C167,
 C05Z), C048(C03C,C08D,C06W,C06E,C03V), C04D(C05L,C072,C118,C150,C05R),
 C04K(C08X,C104,C110,C8,C07H), C04P(C05C,C052,C07D,C04V,C04B), C04S(C062,C07J,
 C166,C089,C24), C04Y(C55,C93,C125,C98,C05N), C059(C039,C058,C057,C084,C06J),
 C05V(C075,C149,C168,C143,C06P), C06X(C06O,C066,C06U,C07X,C04U), C08A(C190,C07E,
 C04Z,C05Q,C05M), C09K(C051,C106,C137,C22,C134), C09W(C1BA,C3AA,C09J,C132,C05H),
  C103(C141,C09N,C05F,C06M,C49), C126(C135,C67,C06C,C06B,C198), C86(C070,C03I,
 C04G,C063,C081), C5AA(C05G,C028,C02V,C035,C79), C144(C112,C61,C03U,C101,C9AA),
 C191(C174,C08Z,C04J,C46,C113), C114(C173,C07O,C065,C0A0,C0BA), C187(C07B,C076,
 C06A,C0A7,C155), C3(C130,C06T,C092,C164,C89), C56(C1AA,C154,C156,C186,C63),
 C07F(C09D,C8AA,C138,C120,C06R), C3BA(C09E,C8AB,C1,C2,C2BA)
;
_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 0.500000 0.71425(2) -0.250000 0.026 Uani 1 2 d S T P A .
Au02 Au 0.83231(2) 0.54880(2) 0.41207(4) 0.026 Uani 1 1 d . . . . .
Au03 Au 0.55143(2) 0.68681(2) -0.04582(4) 0.026 Uani 1 1 d . . . . .
Au04 Au 0.80591(2) 0.56768(2) 0.28401(4) 0.026 Uani 1 1 d . . . . .
Au05 Au 0.82139(2) 0.60714(2) 0.46427(4) 0.026 Uani 1 1 d . . . . .
Au06 Au 0.75453(2) 0.61912(2) 0.58963(4) 0.026 Uani 1 1 d . . . . .
Au07 Au 0.73935(2) 0.64175(2) 0.46903(4) 0.026 Uani 1 1 d . . . . .
Au08 Au 0.84956(2) 0.59245(2) 0.26612(4) 0.028 Uani 1 1 d . . . . .
Au09 Au 0.78795(2) 0.57741(2) 0.40268(4) 0.027 Uani 1 1 d . . . . .
Au0A Au 0.81345(2) 0.62855(2) 0.67583(4) 0.028 Uani 1 1 d . . . . .
Au0B Au 0.78912(2) 0.66362(2) 0.47013(4) 0.028 Uani 1 1 d . . . . .
Au0C Au 0.88999(2) 0.56276(2) 0.48256(4) 0.028 Uani 1 1 d . . . . .
Au0D Au 0.77390(2) 0.65579(2) 0.60505(4) 0.028 Uani 1 1 d . . . . .
Au0E Au 0.59673(2) 0.71485(2) -0.01309(4) 0.028 Uani 1 1 d . . . . .
Au0F Au 0.59294(2) 0.69054(2) -0.12861(4) 0.026 Uani 1 1 d . . . . .
Au0G Au 0.60088(2) 0.72636(2) -0.15541(4) 0.029 Uani 1 1 d . . . . .
Au0H Au 0.87065(2) 0.55907(2) 0.32477(4) 0.028 Uani 1 1 d . . . . .
Au0I Au 0.83786(2) 0.57323(2) 0.52325(4) 0.028 Uani 1 1 d . . . . .
Au0J Au 0.53609(2) 0.72100(2) -0.00908(4) 0.028 Uani 1 1 d . . . . .
Au0K Au 0.83510(2) 0.65620(2) 0.59945(4) 0.030 Uani 1 1 d . . . . .
Au0L Au 0.85520(2) 0.62224(2) 0.59337(4) 0.030 Uani 1 1 d . . . . .
Au0M Au 0.77878(2) 0.63233(2) 0.38791(4) 0.028 Uani 1 1 d . . . . .
Au0N Au 0.76008(2) 0.60527(2) 0.46271(4) 0.027 Uani 1 1 d . . . . .
Au0O Au 0.80184(2) 0.60417(2) 0.31567(4) 0.029 Uani 1 1 d . . . . .
Au0P Au 0.52787(2) 0.68268(2) -0.19210(4) 0.028 Uani 1 1 d . . . . .
Au0Q Au 0.56674(2) 0.74564(2) -0.07945(4) 0.030 Uani 1 1 d . . . . .
Au0R Au 0.49467(2) 0.70302(2) -0.11793(4) 0.029 Uani 1 1 d . . . . .
Au0S Au 0.80718(2) 0.59883(2) 0.59040(4) 0.029 Uani 1 1 d . . . . .
Au0T Au 0.83822(2) 0.64251(2) 0.46502(4) 0.031 Uani 1 1 d . . . . .
Au0U Au 0.90184(2) 0.58945(2) 0.39183(4) 0.031 Uani 1 1 d . U . . .
Au0V Au 0.54463(2) 0.74036(2) -0.23056(4) 0.031 Uani 1 1 d . . . . .
Au0W Au 0.50578(2) 0.73871(2) -0.13949(4) 0.030 Uani 1 1 d . . . . .
Au0X Au 0.86098(2) 0.61647(2) 0.38397(4) 0.030 Uani 1 1 d . . . . .
Au0Y Au 0.88286(2) 0.59786(2) 0.51572(4) 0.031 Uani 1 1 d . . . . .
Au0Z Au 0.44087(2) 0.70554(2) -0.24159(4) 0.028 Uani 1 1 d . . . . .
Pd10 Pd 0.54969(2) 0.71411(2) -0.13166(6) 0.023 Uani 1 1 d . . . . .
Pd11 Pd 0.84604(2) 0.58220(2) 0.39534(6) 0.022 Uani 1 1 d . . . . .
Pd12 Pd 0.79632(2) 0.63191(2) 0.53286(6) 0.022 Uani 1 1 d . . . . .
Br13 Br 0.500000 0.65400(2) -0.250000 0.023 Uani 1 2 d S T P . .
Br14 Br 0.73096(3) 0.57700(2) 0.40407(9) 0.023 Uani 1 1 d . . . . .
Br15 Br 0.91229(3) 0.61413(2) 0.63435(9) 0.032 Uani 1 1 d . . . . .
Br16 Br 0.87728(4) 0.64907(2) 0.39206(10) 0.032 Uani 1 1 d . . . . .
Br17 Br 0.46507(4) 0.76322(2) -0.16370(10) 0.032 Uani 1 1 d . . . A 1
Br18 Br 0.76362(4) 0.62814(2) 0.25085(9) 0.032 Uani 1 1 d . . . . .
Br19 Br 0.82396(4) 0.56771(2) 0.64082(9) 0.032 Uani 1 1 d . . . . .
Br1A Br 0.43960(3) 0.69588(2) -0.11551(9) 0.033 Uani 1 1 d . . . . .
Br1B Br 0.89367(5) 0.53821(3) 0.25854(11) 0.045 Uani 1 1 d . . . . .
Br1C Br 0.75410(5) 0.67774(2) 0.67351(11) 0.045 Uani 1 1 d . . . . .
Br1D Br 0.63952(4) 0.71588(3) 0.09671(11) 0.045 Uani 1 1 d . . . . .
P01E P 0.62994(9) 0.67055(5) -0.1218(2) 0.031 Uani 1 1 d . U . . .
P01F P 0.82081(9) 0.52030(5) 0.4226(2) 0.031 Uani 1 1 d . . . . .
P01G P 0.92715(9) 0.54678(5) 0.5581(3) 0.033 Uani 1 1 d . U . . .
P01H P 0.71709(9) 0.60819(5) 0.6304(2) 0.030 Uani 1 1 d . . . . .
P01I P 0.55373(9) 0.66248(5) 0.0219(2) 0.030 Uani 1 1 d . U . . .
P01J P 0.77069(9) 0.55448(5) 0.1944(2) 0.029 Uani 1 1 d . . . . .
P01K P 0.78373(10) 0.69018(5) 0.4161(3) 0.034 Uani 1 1 d . U . . .
P01L P 0.82415(10) 0.62201(5) 0.7939(2) 0.033 Uani 1 1 d . . . . .
P01M P 0.64326(10) 0.73697(6) -0.1773(3) 0.036 Uani 1 1 d . U . . .
P01N P 0.69073(9) 0.65021(5) 0.4181(2) 0.030 Uani 1 1 d . . . . .
P01O P 0.94851(11) 0.59629(7) 0.3863(3) 0.047 Uani 1 1 d . U . . .
P01P P 0.86857(12) 0.67616(7) 0.6584(3) 0.050 Uani 1 1 d . U . . .
P01Q P 0.84508(11) 0.60109(5) 0.1526(2) 0.035 Uani 1 1 d . U . . .
P01R P 0.57997(13) 0.77252(6) -0.0342(4) 0.053 Uani 1 1 d . U . . .
P01S P 0.52083(10) 0.72298(6) 0.0918(2) 0.035 Uani 1 1 d . U . . .
F01T F 0.7192(3) 0.64239(15) 0.9012(6) 0.052 Uani 1 1 d . . . . .
F01U F 0.8224(3) 0.53834(14) -0.0408(7) 0.055 Uani 1 1 d . . . . .
F01V F 0.7866(3) 0.67513(17) 0.9679(6) 0.056 Uani 1 1 d . . . . .
F01W F 0.8059(3) 0.48059(14) 0.1573(7) 0.059 Uani 1 1 d . . . . .
F01X F 0.6039(3) 0.68092(16) 0.3261(6) 0.056 Uani 1 1 d . . . . .
F01Y F 0.7425(3) 0.69694(18) -0.1687(8) 0.067 Uani 1 1 d . . . . .
F01Z F 0.6241(3) 0.66284(17) 0.6302(7) 0.060 Uani 1 1 d . . . . .
F020 F 0.6194(3) 0.73072(16) 0.3561(6) 0.056 Uani 1 1 d . . . . .
F021 F 0.6825(3) 0.64331(15) 0.1682(6) 0.054 Uani 1 1 d . U . . .
F022 F 0.7164(3) 0.51469(18) 0.5388(8) 0.067 Uani 1 1 d . . . . .
F023 F 0.6745(3) 0.71982(14) 0.2864(7) 0.061 Uani 1 1 d . . . . .
F024 F 0.7084(4) 0.49510(16) 0.2811(8) 0.074 Uani 1 1 d . . . . .
F025 F 0.5869(3) 0.61548(18) -0.3375(7) 0.068 Uani 1 1 d . . . . .
F026 F 0.9168(3) 0.47784(18) 0.6082(8) 0.075 Uani 1 1 d . . . . .
C027 C 0.6179(2) 0.65368(13) -0.1894(6) 0.032 Uani 1 1 d . . . . .
C02W C 0.5882(2) 0.65390(14) -0.2296(7) 0.042 Uani 1 1 d G . . . .
H02W H 0.575141 0.662737 -0.222437 0.050 Uiso 1 1 calc R . . . .
C04E C 0.5775(2) 0.64118(17) -0.2802(6) 0.053 Uani 1 1 d G . . . .
H04E H 0.557155 0.641328 -0.307696 0.063 Uiso 1 1 calc R . . . .
C05P C 0.5966(3) 0.62824(15) -0.2907(7) 0.046 Uani 1 1 d G . . . .
C078 C 0.6263(3) 0.62803(14) -0.2505(7) 0.051 Uani 1 1 d G . . . .
H078 H 0.639334 0.619184 -0.257587 0.061 Uiso 1 1 calc R . . . .
C04A C 0.6370(2) 0.64074(16) -0.1998(6) 0.047 Uani 1 1 d G . . . .
H04A H 0.657320 0.640594 -0.172328 0.056 Uiso 1 1 calc R . . . .
F029 F 0.9638(3) 0.48566(18) 0.4226(8) 0.071 Uani 1 1 d . . . . .
F02A F 0.5973(3) 0.6069(2) 0.4231(7) 0.074 Uani 1 1 d . . . . .
F02B F 0.9059(3) 0.55564(15) -0.0046(7) 0.057 Uani 1 1 d . . . . .
C02C C 0.7893(2) 0.51810(14) 0.4612(7) 0.040 Uani 1 1 d . . . . .
C02F C 0.7747(3) 0.53303(11) 0.4728(7) 0.037 Uani 1 1 d G . . . .
H02F H 0.781452 0.543977 0.461653 0.044 Uiso 1 1 calc R . . . .
C033 C 0.7504(3) 0.53193(14) 0.5007(8) 0.049 Uani 1 1 d G . . . .
H033 H 0.740426 0.542131 0.508592 0.059 Uiso 1 1 calc R . . . .
C06L C 0.7406(3) 0.51591(17) 0.5170(8) 0.061 Uani 1 1 d G . . . .
C05Y C 0.7551(3) 0.50098(13) 0.5054(8) 0.047 Uani 1 1 d G . . . .
H05Y H 0.748414 0.490027 0.516524 0.057 Uiso 1 1 calc R . . . .
C05A C 0.7795(3) 0.50207(12) 0.4775(7) 0.043 Uani 1 1 d G . . . .
H05A H 0.789440 0.491872 0.469585 0.052 Uiso 1 1 calc R . . . .
F02D F 0.6114(3) 0.60201(17) -0.0664(7) 0.067 Uani 1 1 d . U . . .
C02E C 0.9613(3) 0.55864(18) 0.5918(8) 0.057 Uani 1 1 d . U . . .
C4AA C 0.9896(3) 0.55242(16) 0.5943(8) 0.062 Uani 1 1 d G U . . .
H4AA H 0.991693 0.541717 0.572586 0.075 Uiso 1 1 calc R . . . .
C116 C 1.0149(2) 0.5619(2) 0.6287(9) 0.068 Uani 1 1 d G U . . .
H116 H 1.034230 0.557620 0.630424 0.081 Uiso 1 1 calc R . . . .
C76 C 1.0118(3) 0.57753(19) 0.6605(9) 0.066 Uani 1 1 d G U . . .
C0AA C 0.9835(3) 0.58375(16) 0.6580(9) 0.070 Uani 1 1 d G U . . .
H0AA H 0.981396 0.594454 0.679778 0.084 Uiso 1 1 calc R . . . .
C04T C 0.9582(2) 0.57430(19) 0.6237(9) 0.063 Uani 1 1 d G U . . .
H04T H 0.938860 0.578551 0.621940 0.076 Uiso 1 1 calc R . . . .
C02G C 0.8126(3) 0.50819(12) 0.3383(5) 0.034 Uani 1 1 d . . . . .
C06F C 0.7968(3) 0.49271(13) 0.3273(6) 0.048 Uani 1 1 d G . . . .
H06F H 0.787872 0.488509 0.362121 0.057 Uiso 1 1 calc R . . . .
C07Q C 0.7942(3) 0.48339(12) 0.2653(7) 0.051 Uani 1 1 d G . . . .
H07Q H 0.783395 0.472818 0.257790 0.061 Uiso 1 1 calc R . . . .
C05W C 0.8072(3) 0.48954(14) 0.2144(5) 0.048 Uani 1 1 d G . . . .
C044 C 0.8230(3) 0.50502(14) 0.2254(6) 0.043 Uani 1 1 d G . . . .
H044 H 0.831938 0.509219 0.190596 0.052 Uiso 1 1 calc R . . . .
C038 C 0.8257(3) 0.51434(11) 0.2874(7) 0.044 Uani 1 1 d G . . . .
H038 H 0.836415 0.524912 0.294927 0.052 Uiso 1 1 calc R . . . .
C02H C 0.6716(2) 0.63557(13) 0.3466(6) 0.033 Uani 1 1 d . . . . .
C05U C 0.6428(2) 0.63881(14) 0.3040(7) 0.045 Uani 1 1 d G . . . .
H05U H 0.632521 0.648953 0.311272 0.054 Uiso 1 1 calc R . . . .
C40 C 0.6291(2) 0.62723(18) 0.2509(6) 0.062 Uani 1 1 d G . . . .
H40 H 0.609384 0.629445 0.221861 0.075 Uiso 1 1 calc R . . . .
C080 C 0.6441(3) 0.61239(16) 0.2404(6) 0.048 Uani 1 1 d G . . . .
C04O C 0.6729(3) 0.60915(13) 0.2829(7) 0.051 Uani 1 1 d G . . . .
H04O H 0.683133 0.599011 0.275664 0.061 Uiso 1 1 calc R . . . .
C03G C 0.6866(2) 0.62074(15) 0.3360(6) 0.040 Uani 1 1 d G . . . .
H03G H 0.706271 0.618518 0.365076 0.048 Uiso 1 1 calc R . . . .
F02I F 0.7163(3) 0.6070(2) -0.0106(8) 0.076 Uani 1 1 d . . . . .
F02K F 0.6302(3) 0.60095(17) 0.1915(7) 0.067 Uani 1 1 d . . . . .
C02N C 0.6440(3) 0.66065(15) -0.0332(5) 0.038 Uani 1 1 d . U . . .
C02M C 0.6409(3) 0.67038(12) 0.0239(6) 0.043 Uani 1 1 d G U . . .
H02M H 0.629989 0.680896 0.015890 0.051 Uiso 1 1 calc R . . . .
C03D C 0.6538(3) 0.66471(15) 0.0929(5) 0.042 Uani 1 1 d G U . . .
H03D H 0.651709 0.671353 0.131891 0.050 Uiso 1 1 calc R . . . .
C055 C 0.6698(3) 0.64932(15) 0.1046(5) 0.041 Uani 1 1 d G U . . .
C06I C 0.6729(3) 0.63959(13) 0.0475(6) 0.043 Uani 1 1 d G U . . .
H06I H 0.683781 0.629075 0.055578 0.051 Uiso 1 1 calc R . . . .
C06V C 0.6600(3) 0.64526(14) -0.0214(5) 0.043 Uani 1 1 d G U . . .
H06V H 0.662061 0.638617 -0.060423 0.051 Uiso 1 1 calc R . . . .
F02O F 0.4364(3) 0.62943(18) -0.0093(8) 0.072 Uani 1 1 d . . . . .
C02P C 0.8190(3) 0.70124(18) 0.4277(9) 0.056 Uani 1 1 d . U . . .
C05T C 0.8419(3) 0.69191(14) 0.4121(9) 0.063 Uani 1 1 d G U . . .
H05T H 0.839080 0.680067 0.399510 0.075 Uiso 1 1 calc R . . . .
C129 C 0.8690(3) 0.69990(19) 0.4151(9) 0.068 Uani 1 1 d G U . . .
H129 H 0.884691 0.693516 0.404509 0.082 Uiso 1 1 calc R . . . .
C83 C 0.8732(3) 0.7172(2) 0.4336(10) 0.065 Uani 1 1 d G U . . .
C95 C 0.8502(3) 0.72656(15) 0.4491(9) 0.068 Uani 1 1 d G U . . .
H95 H 0.853078 0.738401 0.461766 0.082 Uiso 1 1 calc R . . . .
C36 C 0.8231(3) 0.71857(18) 0.4462(9) 0.061 Uani 1 1 d G U . . .
H36 H 0.807467 0.724952 0.456768 0.074 Uiso 1 1 calc R . . . .
F02Q F 0.6624(3) 0.59666(17) 0.0765(9) 0.075 Uani 1 1 d . . . . .
F02R F 0.7105(4) 0.73880(16) 0.5272(8) 0.075 Uani 1 1 d . . . . .
C02T C 0.6651(2) 0.67814(15) -0.1362(7) 0.036 Uani 1 1 d . . . . .
C03L C 0.6894(3) 0.68222(16) -0.0789(5) 0.038 Uani 1 1 d G . . . .
H03L H 0.688019 0.680633 -0.031867 0.046 Uiso 1 1 calc R . . . .
C07G C 0.7155(2) 0.68863(17) -0.0904(6) 0.051 Uani 1 1 d G . . . .
H07G H 0.732104 0.691427 -0.051298 0.061 Uiso 1 1 calc R . . . .
C04M C 0.7175(2) 0.69096(18) -0.1593(7) 0.053 Uani 1 1 d G . . . .
C07C C 0.6933(3) 0.68687(18) -0.2166(6) 0.057 Uani 1 1 d G . . . .
H07C H 0.694624 0.688462 -0.263601 0.068 Uiso 1 1 calc R . . . .
C04N C 0.6671(2) 0.68046(17) -0.2050(6) 0.047 Uani 1 1 d G . . . .
H04N H 0.650539 0.677669 -0.244171 0.057 Uiso 1 1 calc R . . . .
F02X F 0.4472(4) 0.6621(2) 0.1190(9) 0.086 Uani 1 1 d . . . . .
C02Z C 0.6691(2) 0.65199(15) 0.4826(6) 0.031 Uani 1 1 d . . . . .
C073 C 0.6380(2) 0.65224(16) 0.4632(5) 0.049 Uani 1 1 d G . . . .
H073 H 0.627075 0.649881 0.415523 0.059 Uiso 1 1 calc R . . . .
C105 C 0.62285(19) 0.65593(17) 0.5134(7) 0.054 Uani 1 1 d G . . . .
H105 H 0.601593 0.656101 0.500114 0.065 Uiso 1 1 calc R . . . .
C069 C 0.6388(3) 0.65938(17) 0.5831(6) 0.048 Uani 1 1 d G . . . .
C03Q C 0.6699(3) 0.65914(17) 0.6026(5) 0.049 Uani 1 1 d G . . . .
H03Q H 0.680849 0.661492 0.650243 0.059 Uiso 1 1 calc R . . . .
C043 C 0.68507(18) 0.65544(16) 0.5523(6) 0.056 Uani 1 1 d G . . . .
H043 H 0.706332 0.655272 0.565653 0.068 Uiso 1 1 calc R . . . .
F030 F 0.7698(4) 0.55451(17) 0.8338(8) 0.085 Uani 1 1 d . . . . .
F031 F 0.7538(3) 0.72488(17) 0.0567(8) 0.064 Uani 1 1 d . U . . .
C032 C 0.7546(2) 0.53518(12) 0.2215(6) 0.029 Uani 1 1 d . . . . .
C04C C 0.7459(3) 0.53629(12) 0.2837(6) 0.038 Uani 1 1 d G . . . .
H04C H 0.750641 0.546284 0.312705 0.046 Uiso 1 1 calc R . . . .
C05E C 0.7303(3) 0.52276(16) 0.3035(5) 0.047 Uani 1 1 d G . . . .
H05E H 0.724327 0.523518 0.346014 0.056 Uiso 1 1 calc R . . . .
C05O C 0.7234(3) 0.50813(13) 0.2611(7) 0.058 Uani 1 1 d G . . . .
C07M C 0.7321(3) 0.50703(12) 0.1989(7) 0.053 Uani 1 1 d G . . . .
H07M H 0.727321 0.497030 0.169955 0.064 Uiso 1 1 calc R . . . .
C05D C 0.7477(3) 0.52055(14) 0.1791(5) 0.049 Uani 1 1 d G . . . .
H05D H 0.753635 0.519795 0.136645 0.059 Uiso 1 1 calc R . . . .
C034 C 0.7373(2) 0.56715(13) 0.1573(7) 0.035 Uani 1 1 d . . . . .
C02Y C 0.7374(2) 0.58463(13) 0.1732(6) 0.043 Uani 1 1 d G . . . .
H02Y H 0.754922 0.589852 0.202600 0.052 Uiso 1 1 calc R . . . .
C03X C 0.7118(3) 0.59449(11) 0.1460(7) 0.047 Uani 1 1 d G . . . .
H03X H 0.711835 0.606440 0.156832 0.056 Uiso 1 1 calc R . . . .
C07L C 0.6861(2) 0.58685(15) 0.1029(8) 0.050 Uani 1 1 d G . . . .
C06Y C 0.6860(2) 0.56936(15) 0.0871(7) 0.046 Uani 1 1 d G . . . .
H06Y H 0.668430 0.564146 0.057621 0.055 Uiso 1 1 calc R . . . .
C04Q C 0.7116(3) 0.55951(11) 0.1142(7) 0.044 Uani 1 1 d G . . . .
H04Q H 0.711517 0.547558 0.103388 0.053 Uiso 1 1 calc R . . . .
C03A C 0.5740(3) 0.64474(13) -0.0018(6) 0.040 Uani 1 1 d . U . . .
C03H C 0.5927(3) 0.63394(15) 0.0478(5) 0.042 Uani 1 1 d G U . . .
H03H H 0.596767 0.636418 0.096964 0.050 Uiso 1 1 calc R . . . .
C05X C 0.6054(3) 0.61953(14) 0.0254(6) 0.044 Uani 1 1 d G U . . .
H05X H 0.618175 0.612154 0.059325 0.053 Uiso 1 1 calc R . . . .
C06N C 0.5995(3) 0.61591(13) -0.0465(6) 0.047 Uani 1 1 d G U . . .
C03N C 0.5808(3) 0.62670(15) -0.0961(5) 0.044 Uani 1 1 d G U . . .
H03N H 0.576743 0.624227 -0.145291 0.052 Uiso 1 1 calc R . . . .
C02U C 0.5681(3) 0.64111(14) -0.0738(6) 0.041 Uani 1 1 d G U . . .
H02U H 0.555334 0.648491 -0.107653 0.049 Uiso 1 1 calc R . . . .
C03B C 0.7847(2) 0.54828(14) 0.1204(5) 0.034 Uani 1 1 d . . . . .
C04H C 0.8155(2) 0.54592(15) 0.1355(5) 0.037 Uani 1 1 d G . . . .
H04H H 0.827655 0.546698 0.183001 0.044 Uiso 1 1 calc R . . . .
C06Q C 0.8284(2) 0.54243(15) 0.0810(6) 0.039 Uani 1 1 d G . . . .
H06Q H 0.849403 0.540819 0.091242 0.047 Uiso 1 1 calc R . . . .
C056 C 0.8105(3) 0.54129(17) 0.0114(5) 0.052 Uani 1 1 d G . . . .
C06H C 0.7798(3) 0.54365(17) -0.0036(5) 0.046 Uani 1 1 d G . . . .
H06H H 0.767575 0.542875 -0.051160 0.055 Uiso 1 1 calc R . . . .
C04F C 0.76685(19) 0.54714(16) 0.0509(6) 0.046 Uani 1 1 d G . . . .
H04F H 0.745826 0.548753 0.040598 0.055 Uiso 1 1 calc R . . . .
F03E F 0.7349(4) 0.6866(2) 0.1030(8) 0.098 Uani 1 1 d . . . . .
C03F C 0.8121(3) 0.63757(12) 0.8493(6) 0.039 Uani 1 1 d . . . . .
C03Y C 0.8072(3) 0.65431(14) 0.8232(5) 0.028 Uani 1 1 d G . . . .
H03Y H 0.809769 0.657056 0.778124 0.034 Uiso 1 1 calc R . . . .
C049 C 0.7984(3) 0.66704(11) 0.8632(6) 0.046 Uani 1 1 d G . . . .
H049 H 0.795002 0.678490 0.845470 0.055 Uiso 1 1 calc R . . . .
C045 C 0.7946(3) 0.66303(14) 0.9293(6) 0.041 Uani 1 1 d G . . . .
C05K C 0.7996(3) 0.64628(16) 0.9553(5) 0.050 Uani 1 1 d G . . . .
H05K H 0.796958 0.643540 1.000401 0.060 Uiso 1 1 calc R . . . .
C03T C 0.8083(3) 0.63355(12) 0.9153(6) 0.044 Uani 1 1 d G . . . .
H03T H 0.811725 0.622106 0.933055 0.052 Uiso 1 1 calc R . . . .
C03J C 0.8496(2) 0.50674(14) 0.4791(6) 0.040 Uani 1 1 d . . . . .
C047 C 0.8538(3) 0.50685(16) 0.5521(6) 0.047 Uani 1 1 d G . . . .
H047 H 0.841264 0.513738 0.572007 0.056 Uiso 1 1 calc R . . . .
C07I C 0.8763(3) 0.49688(18) 0.5958(5) 0.063 Uani 1 1 d G . . . .
H07I H 0.879156 0.496957 0.645686 0.075 Uiso 1 1 calc R . . . .
C06K C 0.8946(3) 0.48680(17) 0.5667(7) 0.050 Uani 1 1 d G . . . .
C06D C 0.8904(3) 0.48669(15) 0.4937(7) 0.050 Uani 1 1 d G . . . .
H06D H 0.902950 0.479804 0.473764 0.060 Uiso 1 1 calc R . . . .
C04X C 0.8679(3) 0.49666(15) 0.4499(5) 0.039 Uani 1 1 d G . . . .
H04X H 0.865058 0.496586 0.400083 0.047 Uiso 1 1 calc R . . . .
C03K C 0.6842(3) 0.67145(11) 0.3773(6) 0.037 Uani 1 1 d . . . . .
C04W C 0.6867(3) 0.67364(13) 0.3088(6) 0.045 Uani 1 1 d G . . . .
H04W H 0.690744 0.663987 0.283014 0.054 Uiso 1 1 calc R . . . .
C07A C 0.6834(3) 0.68995(16) 0.2781(5) 0.056 Uani 1 1 d G . . . .
H07A H 0.685069 0.691443 0.231315 0.068 Uiso 1 1 calc R . . . .
C07T C 0.6775(3) 0.70407(12) 0.3158(7) 0.055 Uani 1 1 d G . . . .
C07K C 0.6750(3) 0.70189(13) 0.3843(7) 0.060 Uani 1 1 d G . . . .
H07K H 0.670950 0.711541 0.410078 0.072 Uiso 1 1 calc R . . . .
C05S C 0.6783(3) 0.68558(15) 0.4150(6) 0.049 Uani 1 1 d G . . . .
H05S H 0.676624 0.684085 0.461778 0.058 Uiso 1 1 calc R . . . .
C03M C 0.5700(2) 0.66686(14) 0.1162(4) 0.031 Uani 1 1 d . . . . .
C036 C 0.5887(2) 0.68115(13) 0.1337(5) 0.035 Uani 1 1 d G . . . .
H036 H 0.593425 0.687711 0.097317 0.041 Uiso 1 1 calc R . . . .
C03S C 0.6004(2) 0.68583(12) 0.2043(6) 0.038 Uani 1 1 d G . . . .
H03S H 0.613167 0.695595 0.216240 0.045 Uiso 1 1 calc R . . . .
C05B C 0.5935(3) 0.67622(15) 0.2575(4) 0.044 Uani 1 1 d G . . . .
C06G C 0.5748(3) 0.66193(15) 0.2400(5) 0.041 Uani 1 1 d G . . . .
H06G H 0.570045 0.655366 0.276319 0.050 Uiso 1 1 calc R . . . .
C03R C 0.5631(2) 0.65725(13) 0.1693(6) 0.041 Uani 1 1 d G . . . .
H03R H 0.550303 0.647482 0.157396 0.049 Uiso 1 1 calc R . . . .
C03O C 0.7476(2) 0.55863(14) 0.6602(7) 0.041 Uani 1 1 d . . . . .
H03O H 0.765765 0.552736 0.662036 0.049 Uiso 1 1 calc R . . . .
C02S C 0.7456(2) 0.57634(14) 0.6487(7) 0.037 Uani 1 1 d G . . . .
H02S H 0.762342 0.582555 0.642529 0.044 Uiso 1 1 calc R . . . .
C02J C 0.7191(3) 0.58496(10) 0.6460(7) 0.036 Uani 1 1 d G . . . .
C05J C 0.6946(2) 0.57587(15) 0.6550(8) 0.051 Uani 1 1 d G . . . .
H05J H 0.676512 0.581762 0.653202 0.061 Uiso 1 1 calc R . . . .
C7 C 0.6967(3) 0.55816(15) 0.6666(9) 0.056 Uani 1 1 d G . . . .
H7 H 0.679934 0.551943 0.672709 0.067 Uiso 1 1 calc R . . . .
C5 C 0.7232(3) 0.54954(10) 0.6692(8) 0.061 Uani 1 1 d G . . . .
C03P C 0.8055(2) 0.60312(15) 0.0982(7) 0.037 Uani 1 1 d . . . . .
C04I C 0.7900(3) 0.61829(14) 0.1012(7) 0.069 Uani 1 1 d G . . . .
H04I H 0.799786 0.627684 0.129331 0.083 Uiso 1 1 calc R . . . .
C071 C 0.7600(3) 0.61973(17) 0.0631(8) 0.063 Uani 1 1 d G . . . .
H071 H 0.749407 0.630098 0.065137 0.075 Uiso 1 1 calc R . . . .
C148 C 0.7457(2) 0.6060(2) 0.0220(8) 0.055 Uani 1 1 d G . . . .
C07S C 0.7612(3) 0.59082(17) 0.0190(7) 0.070 Uani 1 1 d G . . . .
H07S H 0.751428 0.581428 -0.009146 0.084 Uiso 1 1 calc R . . . .
C053 C 0.7912(3) 0.58938(13) 0.0571(7) 0.045 Uani 1 1 d G . . . .
H053 H 0.801807 0.579014 0.055048 0.054 Uiso 1 1 calc R . . . .
C03W C 0.8594(4) 0.62282(12) 0.1458(8) 0.052 Uani 1 1 d . U . . .
C07R C 0.8684(4) 0.62821(15) 0.0872(7) 0.055 Uani 1 1 d G U . . .
H07R H 0.870172 0.620063 0.052426 0.066 Uiso 1 1 calc R . . . .
C10 C 0.8747(4) 0.64552(17) 0.0795(7) 0.058 Uani 1 1 d G U . . .
H10 H 0.880758 0.649207 0.039396 0.069 Uiso 1 1 calc R . . . .
C6AA C 0.8720(4) 0.65745(12) 0.1303(8) 0.061 Uani 1 1 d G U . . .
C06Z C 0.8631(4) 0.65206(15) 0.1889(7) 0.062 Uani 1 1 d G U . . .
H06Z H 0.861301 0.660210 0.223708 0.074 Uiso 1 1 calc R . . . .
C2AA C 0.8568(4) 0.63475(17) 0.1967(7) 0.057 Uani 1 1 d G U . . .
H2AA H 0.850714 0.631066 0.236739 0.069 Uiso 1 1 calc R . . . .
C03Z C 0.7598(3) 0.70510(14) 0.4454(7) 0.041 Uani 1 1 d . . . . .
C06S C 0.7509(3) 0.72085(16) 0.4123(7) 0.060 Uani 1 1 d G . . . .
H06S H 0.756298 0.723837 0.370588 0.072 Uiso 1 1 calc R . . . .
C07W C 0.7340(3) 0.73222(13) 0.4404(8) 0.068 Uani 1 1 d G . . . .
H07W H 0.727932 0.742989 0.417847 0.082 Uiso 1 1 calc R . . . .
C085 C 0.7261(3) 0.72785(15) 0.5015(8) 0.054 Uani 1 1 d G . . . .
C054 C 0.7350(3) 0.71210(16) 0.5345(6) 0.044 Uani 1 1 d G . . . .
H054 H 0.729563 0.709112 0.576286 0.053 Uiso 1 1 calc R . . . .
C050 C 0.7518(3) 0.70072(12) 0.5065(7) 0.043 Uani 1 1 d G . . . .
H050 H 0.757929 0.689959 0.529028 0.052 Uiso 1 1 calc R . . . .
C042 C 0.9193(3) 0.54036(19) 0.6400(6) 0.053 Uani 1 1 d . . . . .
C040 C 0.8896(3) 0.54022(19) 0.6416(6) 0.062 Uani 1 1 d G . . . .
H040 H 0.874284 0.543875 0.601294 0.075 Uiso 1 1 calc R . . . .
C061 C 0.8824(3) 0.5347(2) 0.7022(8) 0.062 Uani 1 1 d G . . . .
H061 H 0.862055 0.534616 0.703352 0.074 Uiso 1 1 calc R . . . .
C7AA C 0.9048(3) 0.5294(2) 0.7612(7) 0.072 Uani 1 1 d G . . . .
C167 C 0.9345(3) 0.5295(2) 0.7596(7) 0.080 Uani 1 1 d G . . . .
H167 H 0.949833 0.525849 0.799881 0.097 Uiso 1 1 calc R . . . .
C05Z C 0.9418(2) 0.5350(2) 0.6989(8) 0.065 Uani 1 1 d G . . . .
H05Z H 0.962063 0.535108 0.697824 0.078 Uiso 1 1 calc R . . . .
F046 F 0.6623(4) 0.7107(3) -0.4455(9) 0.103 Uani 1 1 d . . . . .
C048 C 0.5504(2) 0.72508(16) 0.1752(5) 0.040 Uani 1 1 d . . . . .
C03C C 0.5462(2) 0.72099(16) 0.2407(6) 0.038 Uani 1 1 d G . . . .
H03C H 0.527224 0.716924 0.243507 0.046 Uiso 1 1 calc R . . . .
C08D C 0.5696(3) 0.72284(16) 0.3021(5) 0.051 Uani 1 1 d G . . . .
H08D H 0.566627 0.720048 0.346908 0.061 Uiso 1 1 calc R . . . .
C06W C 0.5972(2) 0.72879(16) 0.2981(5) 0.043 Uani 1 1 d G . . . .
C06E C 0.6015(2) 0.73287(16) 0.2326(6) 0.045 Uani 1 1 d G . . . .
H06E H 0.620461 0.736937 0.229819 0.054 Uiso 1 1 calc R . . . .
C03V C 0.5781(2) 0.73102(15) 0.1712(5) 0.031 Uani 1 1 d G . . . .
H03V H 0.581058 0.733813 0.126417 0.038 Uiso 1 1 calc R . . . .
C04D C 0.8073(3) 0.60148(12) 0.8106(7) 0.035 Uani 1 1 d . . . . .
C05L C 0.7795(3) 0.60116(13) 0.8243(7) 0.048 Uani 1 1 d G . . . .
H05L H 0.769446 0.611665 0.827570 0.058 Uiso 1 1 calc R . . . .
C072 C 0.7665(3) 0.58548(18) 0.8331(8) 0.056 Uani 1 1 d G . . . .
H072 H 0.747491 0.585263 0.842447 0.068 Uiso 1 1 calc R . . . .
C118 C 0.7812(3) 0.57011(13) 0.8283(8) 0.054 Uani 1 1 d G . . . .
C150 C 0.8090(3) 0.57043(12) 0.8147(8) 0.071 Uani 1 1 d G . . . .
H150 H 0.819104 0.559927 0.811386 0.086 Uiso 1 1 calc R . . . .
C05R C 0.8221(2) 0.58611(16) 0.8058(8) 0.056 Uani 1 1 d G . . . .
H05R H 0.841060 0.586329 0.796508 0.067 Uiso 1 1 calc R . . . .
C04K C 0.4957(3) 0.74102(18) 0.0917(7) 0.052 Uani 1 1 d . U . . .
C08X C 0.4764(3) 0.7459(2) 0.0268(6) 0.059 Uani 1 1 d G U . . .
H08X H 0.478812 0.741058 -0.015906 0.071 Uiso 1 1 calc R . . . .
C104 C 0.4537(3) 0.7577(2) 0.0243(6) 0.062 Uani 1 1 d G U . . .
H104 H 0.440576 0.761011 -0.020039 0.075 Uiso 1 1 calc R . . . .
C110 C 0.4502(3) 0.7647(2) 0.0868(7) 0.062 Uani 1 1 d G U . . .
C8 C 0.4695(3) 0.7599(2) 0.1517(6) 0.058 Uani 1 1 d G U . . .
H8 H 0.467103 0.764683 0.194352 0.069 Uiso 1 1 calc R . . . .
C07H C 0.4922(3) 0.74804(19) 0.1541(6) 0.055 Uani 1 1 d G U . . .
H07H H 0.505339 0.744731 0.198486 0.066 Uiso 1 1 calc R . . . .
C04P C 0.6779(2) 0.60469(15) 0.4990(6) 0.036 Uani 1 1 d . . . . .
H04P H 0.695447 0.602045 0.485069 0.044 Uiso 1 1 calc R . . . .
C05C C 0.6500(3) 0.60374(18) 0.4499(5) 0.051 Uani 1 1 d G . . . .
H05C H 0.648374 0.600456 0.402325 0.062 Uiso 1 1 calc R . . . .
C052 C 0.6244(2) 0.6076(2) 0.4703(7) 0.058 Uani 1 1 d G . . . .
C07D C 0.6267(2) 0.61242(19) 0.5399(8) 0.054 Uani 1 1 d G . . . .
H07D H 0.609194 0.615059 0.553861 0.065 Uiso 1 1 calc R . . . .
C04V C 0.6547(3) 0.61336(17) 0.5890(5) 0.048 Uani 1 1 d G . . . .
H04V H 0.656267 0.616648 0.636606 0.058 Uiso 1 1 calc R . . . .
C04B C 0.6803(2) 0.60950(15) 0.5686(6) 0.037 Uani 1 1 d G . . . .
C04S C 0.6778(2) 0.73244(17) -0.1086(6) 0.045 Uani 1 1 d . U . . .
C062 C 0.6755(2) 0.72659(17) -0.0434(7) 0.046 Uani 1 1 d G U . . .
H062 H 0.656387 0.724400 -0.036623 0.055 Uiso 1 1 calc R . . . .
C07J C 0.7012(3) 0.72396(17) 0.0120(6) 0.050 Uani 1 1 d G U . . .
H07J H 0.699635 0.719971 0.056659 0.061 Uiso 1 1 calc R . . . .
C166 C 0.7292(2) 0.72717(18) 0.0022(6) 0.051 Uani 1 1 d G U . . .
C089 C 0.7315(2) 0.73302(18) -0.0631(7) 0.050 Uani 1 1 d G U . . .
H089 H 0.750651 0.735211 -0.069827 0.060 Uiso 1 1 calc R . . . .
C24 C 0.7058(3) 0.73565(17) -0.1185(6) 0.048 Uani 1 1 d G U . . .
H24 H 0.707403 0.739640 -0.163111 0.057 Uiso 1 1 calc R . . . .
C04Y C 0.6189(3) 0.7770(2) -0.0118(10) 0.069 Uani 1 1 d . U . . .
C55 C 0.6387(4) 0.76379(16) 0.0168(10) 0.072 Uani 1 1 d G U . . .
H55 H 0.631325 0.752659 0.023259 0.087 Uiso 1 1 calc R . . . .
C93 C 0.6694(3) 0.76682(18) 0.0361(10) 0.076 Uani 1 1 d G U . . .
H93 H 0.682945 0.757767 0.055638 0.092 Uiso 1 1 calc R . . . .
C125 C 0.6803(3) 0.7831(2) 0.0266(11) 0.076 Uani 1 1 d G U . . .
C98 C 0.6604(4) 0.79636(16) -0.0020(10) 0.076 Uani 1 1 d G U . . .
H98 H 0.667862 0.807492 -0.008438 0.091 Uiso 1 1 calc R . . . .
C05N C 0.6298(3) 0.79333(17) -0.0212(10) 0.070 Uani 1 1 d G U . . .
H05N H 0.616241 0.802385 -0.040816 0.085 Uiso 1 1 calc R . . . .
C059 C 0.7149(3) 0.61836(13) 0.7125(5) 0.031 Uani 1 1 d . . . . .
C039 C 0.7269(3) 0.63485(13) 0.7255(6) 0.036 Uani 1 1 d G . . . .
H039 H 0.734274 0.640532 0.690902 0.044 Uiso 1 1 calc R . . . .
C058 C 0.7281(3) 0.64304(11) 0.7893(6) 0.043 Uani 1 1 d G . . . .
H058 H 0.736303 0.654317 0.798256 0.052 Uiso 1 1 calc R . . . .
C057 C 0.7173(3) 0.63474(15) 0.8400(5) 0.044 Uani 1 1 d G . . . .
C084 C 0.7052(3) 0.61824(16) 0.8269(6) 0.047 Uani 1 1 d G . . . .
H084 H 0.697857 0.612565 0.861568 0.056 Uiso 1 1 calc R . . . .
C06J C 0.7040(3) 0.61005(12) 0.7632(6) 0.050 Uani 1 1 d G . . . .
H06J H 0.695827 0.598780 0.754214 0.060 Uiso 1 1 calc R . . . .
C05V C 0.7551(4) 0.67471(15) 0.2892(7) 0.059 Uani 1 1 d . . . . .
H05V H 0.752899 0.665388 0.318854 0.070 Uiso 1 1 calc R . . . .
C075 C 0.7434(4) 0.67345(16) 0.2161(8) 0.079 Uani 1 1 d G . . . .
H075 H 0.733161 0.663260 0.195772 0.095 Uiso 1 1 calc R . . . .
C149 C 0.7466(4) 0.68709(19) 0.1728(6) 0.058 Uani 1 1 d G . . . .
C168 C 0.7615(4) 0.70200(17) 0.2025(7) 0.083 Uani 1 1 d G . . . .
H168 H 0.763661 0.711320 0.172919 0.100 Uiso 1 1 calc R . . . .
C143 C 0.7732(4) 0.70326(14) 0.2757(7) 0.082 Uani 1 1 d G . . . .
H143 H 0.783398 0.713449 0.296000 0.099 Uiso 1 1 calc R . . . .
C06P C 0.7700(4) 0.68962(17) 0.3190(5) 0.051 Uani 1 1 d G . . . .
C06X C 0.8621(3) 0.58719(14) 0.1005(6) 0.040 Uani 1 1 d . . . . .
C06O C 0.8847(3) 0.57629(15) 0.1380(4) 0.031 Uani 1 1 d G . . . .
H06O H 0.890029 0.576103 0.188313 0.037 Uiso 1 1 calc R . . . .
C066 C 0.8996(2) 0.56568(14) 0.1018(6) 0.044 Uani 1 1 d G . . . .
H066 H 0.915107 0.558232 0.127369 0.053 Uiso 1 1 calc R . . . .
C06U C 0.8919(3) 0.56595(14) 0.0281(6) 0.039 Uani 1 1 d G . . . .
C07X C 0.8693(3) 0.57685(15) -0.0094(4) 0.043 Uani 1 1 d G . . . .
H07X H 0.863997 0.577039 -0.059764 0.052 Uiso 1 1 calc R . . . .
C04U C 0.8544(2) 0.58746(14) 0.0268(6) 0.043 Uani 1 1 d G . . . .
H04U H 0.838918 0.594909 0.001179 0.052 Uiso 1 1 calc R . . . .
F07U F 0.8956(4) 0.5241(3) 0.8169(9) 0.106 Uani 1 1 d . . . . .
C08A C 0.4505(2) 0.6893(2) 0.0771(7) 0.066 Uani 1 1 d . . . . .
H08A H 0.429682 0.688998 0.053998 0.079 Uiso 1 1 calc R . . . .
C190 C 0.4643(3) 0.67531(16) 0.1175(8) 0.051 Uani 1 1 d G . . . .
C07E C 0.4948(3) 0.67575(14) 0.1514(7) 0.062 Uani 1 1 d G . . . .
H07E H 0.504140 0.666187 0.179001 0.074 Uiso 1 1 calc R . . . .
C04Z C 0.5115(2) 0.69018(17) 0.1447(7) 0.042 Uani 1 1 d G . . . .
H04Z H 0.532389 0.690487 0.167832 0.050 Uiso 1 1 calc R . . . .
C05Q C 0.4978(2) 0.70418(14) 0.1043(7) 0.044 Uani 1 1 d G . . . .
C05M C 0.4673(3) 0.70373(17) 0.0705(7) 0.055 Uani 1 1 d G . . . .
H05M H 0.457931 0.713298 0.042828 0.066 Uiso 1 1 calc R . . . .
F08G F 0.6371(4) 0.81110(18) -0.2461(9) 0.083 Uani 1 1 d . U . . .
C09K C 0.8982(4) 0.6584(2) 0.7749(9) 0.075 Uani 1 1 d . U . . .
H09K H 0.904344 0.651378 0.741790 0.090 Uiso 1 1 calc R . . . .
C051 C 0.8797(4) 0.6725(2) 0.7512(7) 0.070 Uani 1 1 d G U . . .
C106 C 0.8707(4) 0.68286(19) 0.7996(10) 0.076 Uani 1 1 d G U . . .
H106 H 0.858022 0.692496 0.783476 0.091 Uiso 1 1 calc R . . . .
C137 C 0.8804(4) 0.6791(2) 0.8716(9) 0.079 Uani 1 1 d G U . . .
H137 H 0.874241 0.686151 0.904702 0.095 Uiso 1 1 calc R . . . .
C22 C 0.8989(4) 0.6650(2) 0.8953(7) 0.079 Uani 1 1 d G U . . .
C134 C 0.9079(4) 0.65467(19) 0.8469(10) 0.078 Uani 1 1 d G U . . .
H134 H 0.920563 0.645033 0.863018 0.094 Uiso 1 1 calc R . . . .
C09W C 0.9589(3) 0.6174(2) 0.5048(9) 0.078 Uani 1 1 d . U . . .
H09W H 0.942983 0.611115 0.515058 0.094 Uiso 1 1 calc R . . . .
C1BA C 0.9732(4) 0.6305(2) 0.5501(8) 0.085 Uani 1 1 d G U . . .
H1BA H 0.967041 0.633157 0.591209 0.102 Uiso 1 1 calc R . . . .
C3AA C 0.9964(4) 0.63962(19) 0.5351(9) 0.084 Uani 1 1 d G U . . .
C09J C 1.0054(3) 0.6357(2) 0.4750(10) 0.081 Uani 1 1 d G U . . .
H09J H 1.021277 0.641931 0.464769 0.098 Uiso 1 1 calc R . . . .
C132 C 0.9911(4) 0.6226(2) 0.4297(8) 0.075 Uani 1 1 d G U . . .
H132 H 0.997221 0.619890 0.388617 0.089 Uiso 1 1 calc R . . . .
C05H C 0.9678(3) 0.61343(14) 0.4447(8) 0.072 Uani 1 1 d G U . . .
F0AA F 0.8985(3) 0.7250(2) 0.4333(9) 0.086 Uani 1 1 d . U . . .
C103 C 0.9224(3) 0.6090(3) 0.8979(8) 0.096 Uani 1 1 d . U . . .
C141 C 0.9098(4) 0.6070(3) 0.8253(8) 0.096 Uani 1 1 d G U . . .
H141 H 0.921444 0.602382 0.796711 0.116 Uiso 1 1 calc R . . . .
C09N C 0.8802(4) 0.6117(3) 0.7947(6) 0.095 Uani 1 1 d G U . . .
H09N H 0.871588 0.610300 0.745115 0.114 Uiso 1 1 calc R . . . .
C05F C 0.8632(3) 0.6184(3) 0.8366(8) 0.091 Uani 1 1 d G U . . .
C06M C 0.8758(4) 0.6205(3) 0.9091(7) 0.094 Uani 1 1 d G U . . .
H06M H 0.864161 0.625075 0.937710 0.113 Uiso 1 1 calc R . . . .
C49 C 0.9054(4) 0.6158(3) 0.9397(6) 0.094 Uani 1 1 d G U . . .
H49 H 0.914017 0.617157 0.989307 0.113 Uiso 1 1 calc R . . . .
F122 F 0.7095(4) 0.7865(2) 0.0397(10) 0.095 Uani 1 1 d . U . . .
F123 F 0.5338(5) 0.7864(2) 0.2132(10) 0.100 Uani 1 1 d . U . . .
C126 C 0.8353(4) 0.73180(14) 0.6270(11) 0.074 Uani 1 1 d . U . . .
C135 C 0.8159(3) 0.7183(2) 0.6296(10) 0.075 Uani 1 1 d G U . . .
H135 H 0.795411 0.720693 0.625542 0.090 Uiso 1 1 calc R . . . .
C67 C 0.8264(3) 0.70146(17) 0.6380(10) 0.071 Uani 1 1 d G U . . .
H67 H 0.813060 0.692265 0.639761 0.085 Uiso 1 1 calc R . . . .
C06C C 0.8563(3) 0.69803(14) 0.6439(10) 0.067 Uani 1 1 d G U . . .
C06B C 0.8758(3) 0.71148(19) 0.6414(10) 0.070 Uani 1 1 d G U . . .
H06B H 0.896222 0.709137 0.645439 0.084 Uiso 1 1 calc R . . . .
C198 C 0.8653(3) 0.72837(16) 0.6330(10) 0.074 Uani 1 1 d G U . . .
H198 H 0.878575 0.737565 0.631219 0.089 Uiso 1 1 calc R . . . .
F145 F 0.9123(4) 0.6606(2) 0.9632(9) 0.108 Uani 1 1 d . U . . .
F4 F 1.0362(3) 0.5868(2) 0.6929(9) 0.089 Uani 1 1 d . U . . .
F26 F 1.0351(4) 0.5392(2) 0.4594(10) 0.063 Uani 0.7248 1 d . U . B 1
F177 F 0.9461(4) 0.6275(3) 0.1077(10) 0.102 Uani 1 1 d . U . . .
C86 C 0.9548(3) 0.49887(15) 0.4537(7) 0.064 Uani 1 1 d . . . . .
C070 C 0.9362(3) 0.51133(16) 0.4132(5) 0.050 Uani 1 1 d G . . . .
H070 H 0.929280 0.510068 0.363115 0.060 Uiso 1 1 calc R . . . .
C03I C 0.9277(3) 0.52562(13) 0.4458(6) 0.040 Uani 1 1 d G . . . .
H03I H 0.915011 0.534127 0.418145 0.048 Uiso 1 1 calc R . . . .
C04G C 0.9379(3) 0.52746(14) 0.5191(6) 0.043 Uani 1 1 d G . . . .
C063 C 0.9565(3) 0.51500(17) 0.5596(5) 0.055 Uani 1 1 d G . . . .
H063 H 0.963443 0.516262 0.609654 0.066 Uiso 1 1 calc R . . . .
C081 C 0.9650(3) 0.50071(16) 0.5269(7) 0.067 Uani 1 1 d G . . . .
H081 H 0.977712 0.492203 0.554625 0.080 Uiso 1 1 calc R . . . .
F17 F 0.9505(4) 0.6047(3) 0.9282(8) 0.115 Uani 1 1 d . U . . .
C5AA C 0.4886(3) 0.62741(12) 0.0292(8) 0.048 Uani 1 1 d . . . . .
H5AA H 0.487488 0.616001 0.045957 0.058 Uiso 1 1 calc R . . . .
C05G C 0.5164(2) 0.63507(14) 0.0367(7) 0.051 Uani 1 1 d G . . . .
H05G H 0.534197 0.628893 0.058611 0.062 Uiso 1 1 calc R . . . .
C028 C 0.5181(2) 0.65177(14) 0.0122(7) 0.030 Uani 1 1 d G . . . .
C02V C 0.4920(3) 0.66081(12) -0.0198(7) 0.042 Uani 1 1 d G . . . .
H02V H 0.493171 0.672228 -0.036534 0.051 Uiso 1 1 calc R . . . .
C035 C 0.4643(2) 0.65316(16) -0.0273(7) 0.051 Uani 1 1 d G . . . .
H035 H 0.446462 0.659336 -0.049188 0.062 Uiso 1 1 calc R . . . .
C79 C 0.4626(2) 0.63646(16) -0.0028(8) 0.053 Uani 1 1 d G . . . .
F1 F 0.7260(3) 0.53257(15) 0.6817(8) 0.069 Uani 1 1 d . . . . .
F143 F 0.8810(4) 0.67310(19) 0.1253(9) 0.087 Uani 1 1 d . U . . .
F2 F 0.4311(3) 0.7777(2) 0.0811(8) 0.087 Uani 1 1 d . U . . .
F12 F 0.8253(4) 0.7479(2) 0.6158(10) 0.096 Uani 1 1 d . U . . .
C144 C 0.6391(4) 0.79505(13) -0.2247(9) 0.065 Uani 1 1 d . U . . .
C112 C 0.6641(3) 0.78860(17) -0.1745(9) 0.068 Uani 1 1 d G U . . .
H112 H 0.679959 0.796120 -0.151768 0.082 Uiso 1 1 calc R . . . .
C61 C 0.6657(3) 0.77115(18) -0.1574(8) 0.063 Uani 1 1 d G U . . .
H61 H 0.682724 0.766739 -0.123057 0.075 Uiso 1 1 calc R . . . .
C03U C 0.6424(3) 0.76014(13) -0.1906(9) 0.057 Uani 1 1 d G U . . .
C101 C 0.6175(3) 0.76659(17) -0.2409(9) 0.064 Uani 1 1 d G U . . .
H101 H 0.601599 0.759069 -0.263539 0.076 Uiso 1 1 calc R . . . .
C9AA C 0.6159(3) 0.78404(18) -0.2579(8) 0.069 Uani 1 1 d G U . . .
H9AA H 0.598833 0.788450 -0.292251 0.083 Uiso 1 1 calc R . . . .
F151 F 0.9808(4) 0.6807(3) 0.5764(11) 0.118 Uani 1 1 d . U . . .
C191 C 0.9576(3) 0.6785(3) 0.5988(10) 0.084 Uani 1 1 d . U . . .
C174 C 0.9325(4) 0.6712(3) 0.5522(8) 0.086 Uani 1 1 d G U . . .
H174 H 0.933623 0.666884 0.507679 0.103 Uiso 1 1 calc R . . . .
C08Z C 0.9058(3) 0.6701(2) 0.5709(9) 0.080 Uani 1 1 d G U . . .
H08Z H 0.888668 0.665008 0.539014 0.095 Uiso 1 1 calc R . . . .
C04J C 0.9042(3) 0.6763(2) 0.6361(10) 0.074 Uani 1 1 d G U . . .
C46 C 0.9292(4) 0.6837(2) 0.6827(8) 0.076 Uani 1 1 d G U . . .
H46 H 0.928117 0.687982 0.727248 0.091 Uiso 1 1 calc R . . . .
C113 C 0.9559(3) 0.6848(2) 0.6641(9) 0.082 Uani 1 1 d G U . . .
H113 H 0.973073 0.689857 0.695915 0.099 Uiso 1 1 calc R . . . .
F8AA F 0.5284(5) 0.8308(2) -0.2219(12) 0.128 Uani 1 1 d . U . . .
C114 C 0.5403(5) 0.81848(19) -0.1786(10) 0.093 Uani 1 1 d . U . . .
C173 C 0.5499(5) 0.82057(17) -0.1054(11) 0.091 Uani 1 1 d G U . . .
H173 H 0.548808 0.831588 -0.085017 0.109 Uiso 1 1 calc R . . . .
C07O C 0.5611(5) 0.8065(2) -0.0621(8) 0.083 Uani 1 1 d G U . . .
H07O H 0.567635 0.807956 -0.012046 0.100 Uiso 1 1 calc R . . . .
C065 C 0.5626(5) 0.79041(18) -0.0919(10) 0.081 Uani 1 1 d G U . . .
C0A0 C 0.5530(5) 0.78832(18) -0.1651(10) 0.087 Uani 1 1 d G U . . .
H0A0 H 0.554123 0.777300 -0.185437 0.104 Uiso 1 1 calc R . . . .
C0BA C 0.5419(5) 0.8024(2) -0.2084(8) 0.094 Uani 1 1 d G U . . .
H0BA H 0.535296 0.800932 -0.258410 0.112 Uiso 1 1 calc R . . . .
C187 C 0.6683(3) 0.73806(17) -0.2920(8) 0.067 Uani 1 1 d . . . . .
H187 H 0.678429 0.748216 -0.271069 0.081 Uiso 1 1 calc R . . . .
C07B C 0.6490(3) 0.72964(18) -0.2602(7) 0.043 Uani 1 1 d G . . . .
C076 C 0.6342(3) 0.71477(18) -0.2908(8) 0.066 Uani 1 1 d G . . . .
H076 H 0.620934 0.709017 -0.269044 0.080 Uiso 1 1 calc R . . . .
C06A C 0.6387(4) 0.70833(18) -0.3531(9) 0.070 Uani 1 1 d G . . . .
H06A H 0.628550 0.698169 -0.374015 0.083 Uiso 1 1 calc R . . . .
C0A7 C 0.6580(4) 0.7167(2) -0.3849(8) 0.080 Uani 1 1 d G . . . .
C155 C 0.6728(4) 0.7316(2) -0.3543(8) 0.076 Uani 1 1 d G . . . .
H155 H 0.686046 0.737369 -0.376042 0.092 Uiso 1 1 calc R . . . .
C3 C 0.5764(4) 0.7803(2) 0.1689(7) 0.079 Uani 1 1 d . U . . .
H3 H 0.589562 0.781021 0.215404 0.095 Uiso 1 1 calc R . . . .
C130 C 0.5876(3) 0.7768(2) 0.1116(10) 0.074 Uani 1 1 d G U . . .
H130 H 0.608501 0.775214 0.118988 0.089 Uiso 1 1 calc R . . . .
C06T C 0.5683(4) 0.7757(2) 0.0436(8) 0.069 Uani 1 1 d G U . . .
C092 C 0.5377(4) 0.7781(2) 0.0329(7) 0.073 Uani 1 1 d G U . . .
H092 H 0.524501 0.777342 -0.013583 0.087 Uiso 1 1 calc R . . . .
C164 C 0.5265(3) 0.7815(2) 0.0902(10) 0.076 Uani 1 1 d G U . . .
H164 H 0.505561 0.783150 0.082832 0.092 Uiso 1 1 calc R . . . .
C89 C 0.5458(4) 0.7826(2) 0.1582(8) 0.075 Uani 1 1 d G U . . .
C56 C 0.9583(4) 0.6015(2) 0.1866(8) 0.075 Uani 1 1 d . U . . .
H56 H 0.965882 0.595001 0.154196 0.090 Uiso 1 1 calc R . . . .
C1AA C 0.9467(4) 0.6179(2) 0.1684(7) 0.074 Uani 1 1 d G U . . .
C154 C 0.9357(4) 0.62736(18) 0.2159(9) 0.073 Uani 1 1 d G U . . .
H154 H 0.927740 0.638591 0.203416 0.088 Uiso 1 1 calc R . . . .
C156 C 0.9362(4) 0.6204(2) 0.2815(8) 0.068 Uani 1 1 d G U . . .
H156 H 0.928695 0.626874 0.313953 0.081 Uiso 1 1 calc R . . . .
C186 C 0.9479(4) 0.6040(2) 0.2997(7) 0.066 Uani 1 1 d G U . . .
C63 C 0.9589(4) 0.59451(18) 0.2523(9) 0.070 Uani 1 1 d G U . . .
H63 H 0.966837 0.583285 0.264736 0.084 Uiso 1 1 calc R . . . .
C07F C 0.9752(3) 0.57933(18) 0.4123(10) 0.046 Uani 0.7248 1 d . U . B 1
C09D C 0.9652(3) 0.5627(2) 0.3913(10) 0.048 Uani 0.7248 1 d G U . B 1
H09D H 0.944796 0.560834 0.366475 0.057 Uiso 0.7248 1 calc R . . B 1
C8AA C 0.9851(4) 0.54895(17) 0.4065(10) 0.050 Uani 0.7248 1 d G U . B 1
H8AA H 0.978235 0.537606 0.392110 0.060 Uiso 0.7248 1 calc R . . B 1
C138 C 1.0149(3) 0.55174(18) 0.4428(8) 0.049 Uani 0.7248 1 d G U . B 1
C120 C 1.0249(3) 0.5683(2) 0.4638(9) 0.049 Uani 0.7248 1 d G U . B 1
H120 H 1.045275 0.570240 0.488577 0.059 Uiso 0.7248 1 calc R . . B 1
C06R C 1.0050(4) 0.58213(17) 0.4486(11) 0.048 Uani 0.7248 1 d G U . B 1
H06R H 1.011837 0.593467 0.462941 0.058 Uiso 0.7248 1 calc R . . B 1
F146 F 1.0111(7) 0.6506(4) 0.5822(17) 0.091 Uani 0.5 1 d . U . . .
C3BA C 0.9714(9) 0.5753(4) 0.3680(17) 0.047 Uani 0.2752 1 d . U . B 2
C09E C 0.9577(7) 0.5617(6) 0.325(2) 0.049 Uani 0.2752 1 d G U . B 2
H09E H 0.936777 0.562089 0.302489 0.059 Uiso 0.2752 1 calc R . . B 2
C8AB C 0.9745(10) 0.5477(5) 0.315(2) 0.049 Uani 0.2752 1 d G U . B 2
H8AB H 0.965147 0.538376 0.285242 0.059 Uiso 0.2752 1 calc R . . B 2
C1 C 1.0051(9) 0.5472(5) 0.348(2) 0.050 Uani 0.2752 1 d G U . B 2
C2 C 1.0189(7) 0.5607(6) 0.391(3) 0.050 Uani 0.2752 1 d G U . B 2
H2 H 1.039761 0.560404 0.413093 0.060 Uiso 0.2752 1 calc R . . B 2
C2BA C 1.0020(9) 0.5748(5) 0.401(2) 0.049 Uani 0.2752 1 d G U . B 2
H2BA H 1.011392 0.584117 0.430340 0.059 Uiso 0.2752 1 calc R . . B 2
F26A F 1.0218(9) 0.5317(6) 0.331(2) 0.058 Uani 0.2752 1 d . U . B 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 Au0P 2.8527(10) 2_654 ?
Au01 Au0P 2.8526(10) . ?
Au01 Au0R 2.8083(8) . ?
Au01 Au0R 2.8084(8) 2_654 ?
Au01 Au0V 2.8470(9) . ?
Au01 Au0V 2.8469(9) 2_654 ?
Au01 Au0W 2.8359(9) . ?
Au01 Au0W 2.8358(9) 2_654 ?
Au01 Au0Z 2.8789(7) . ?
Au01 Au0Z 2.8787(7) 2_654 ?
Au01 Pd10 2.7862(11) . ?
Au01 Pd10 2.7862(11) 2_654 ?
Au02 Au04 2.8729(9) . ?
Au02 Au09 2.9982(9) . ?
Au02 Au0C 2.8670(9) . ?
Au02 Au0H 2.9032(10) . ?
Au02 Au0I 2.8449(10) . ?
Au02 Pd11 2.7065(12) . ?
Au02 P01F 2.295(4) . ?
Au03 Au0E 2.9697(9) . ?
Au03 Au0F 2.8596(10) . ?
Au03 Au0J 2.8862(9) . ?
Au03 Au0P 2.7930(9) . ?
Au03 Au0R 2.9115(9) . ?
Au03 Pd10 2.6911(13) . ?
Au03 P01I 2.291(4) . ?
Au04 Au08 2.8835(9) . ?
Au04 Au09 2.7856(10) . ?
Au04 Au0H 2.9685(9) . ?
Au04 Au0O 2.9119(9) . ?
Au04 Pd11 2.6951(13) . ?
Au04 P01J 2.286(4) . ?
Au05 Au09 2.8533(9) . ?
Au05 Au0I 2.8874(9) . ?
Au05 Au0L 2.8381(9) . ?
Au05 Au0M 2.8875(9) . ?
Au05 Au0N 2.8453(9) . ?
Au05 Au0O 2.8133(10) . ?
Au05 Au0S 2.8067(10) . ?
Au05 Au0T 2.8491(9) . ?
Au05 Au0X 2.8273(10) . ?
Au05 Au0Y 2.8470(9) . ?
Au05 Pd11 2.7800(13) . ?
Au05 Pd12 2.7785(12) . ?
Au06 Au07 2.8716(9) . ?
Au06 Au0A 2.8871(9) . ?
Au06 Au0D 2.9701(9) . ?
Au06 Au0N 2.7882(10) . ?
Au06 Au0S 2.9053(9) . ?
Au06 Pd12 2.6818(13) . ?
Au06 P01H 2.270(4) . ?
Au07 Au0B 2.8632(9) . ?
Au07 Au0D 2.9181(9) . ?
Au07 Au0M 2.8348(10) . ?
Au07 Au0N 2.9997(9) . ?
Au07 Pd12 2.7074(12) . ?
Au07 P01N 2.300(4) . ?
Au08 Au0H 2.8899(9) . ?
Au08 Au0O 2.8074(10) . ?
Au08 Au0U 2.9549(10) . ?
Au08 Au0X 2.9005(10) . ?
Au08 Pd11 2.7045(13) . ?
Au08 P01Q 2.278(5) . ?
Au09 Au0I 2.8373(9) . ?
Au09 Au0N 2.9267(9) . ?
Au09 Au0O 2.8701(10) . ?
Au09 Pd11 2.7681(12) . ?
Au09 Br14 2.6571(15) . ?
Au0A Au0D 2.8898(9) . ?
Au0A Au0K 2.9462(10) . ?
Au0A Au0L 2.8910(10) . ?
Au0A Au0S 2.8152(9) . ?
Au0A Pd12 2.7083(13) . ?
Au0A P01L 2.287(5) . ?
Au0B Au0D 2.9851(10) . ?
Au0B Au0K 2.8879(9) . ?
Au0B Au0M 2.8781(9) . ?
Au0B Au0T 2.8322(10) . ?
Au0B Pd12 2.7268(12) . ?
Au0B P01K 2.297(4) . ?
Au0C Au0H 2.9892(10) . ?
Au0C Au0I 2.8695(10) . ?
Au0C Au0U 2.8792(10) . ?
Au0C Au0Y 2.8370(9) . ?
Au0C Pd11 2.7275(12) . ?
Au0C P01G 2.302(4) . ?
Au0D Au0K 2.8774(10) . ?
Au0D Pd12 2.7074(13) . ?
Au0D Br1C 2.495(2) . ?
Au0E Au0F 2.9145(9) . ?
Au0E Au0G 2.9877(10) . ?
Au0E Au0J 2.8813(9) . ?
Au0E Au0Q 2.8858(10) . ?
Au0E Pd10 2.7176(12) . ?
Au0E Br1D 2.497(2) . ?
Au0F Au0G 2.8677(9) . ?
Au0F Au0P 2.9982(9) . ?
Au0F Au0Z 2.8453(10) 2_654 ?
Au0F Pd10 2.7046(12) . ?
Au0F P01E 2.291(4) . ?
Au0G Au0Q 2.8772(10) . ?
Au0G Au0V 2.8384(9) . ?
Au0G Au0Z 2.8780(9) 2_654 ?
Au0G Pd10 2.7189(12) . ?
Au0G P01M 2.283(4) . ?
Au0H Au0U 2.8840(10) . ?
Au0H Pd11 2.7044(13) . ?
Au0H Br1B 2.492(2) . ?
Au0I Au0S 2.9570(10) . ?
Au0I Au0Y 2.8655(10) . ?
Au0I Pd11 2.7296(13) . ?
Au0I Br19 2.5970(18) . ?
Au0J Au0Q 2.9437(10) . ?
Au0J Au0R 2.8172(9) . ?
Au0J Au0W 2.9021(10) . ?
Au0J Pd10 2.7033(14) . ?
Au0J P01S 2.284(5) . ?
Au0K Au0L 2.8054(9) . ?
Au0K Au0T 2.8831(11) . ?
Au0K Pd12 2.6823(12) . ?
Au0K P01P 2.271(5) . ?
Au0L Au0S 2.8644(10) . ?
Au0L Au0T 2.8865(10) . ?
Au0L Au0Y 2.9365(10) . ?
Au0L Pd12 2.7689(12) . ?
Au0L Br15 2.6276(16) . ?
Au0M Au0N 2.8299(10) . ?
Au0M Au0O 2.9588(9) . ?
Au0M Au0T 2.8698(9) . ?
Au0M Pd12 2.7333(13) . ?
Au0M Br18 2.6049(18) . ?
Au0N Au0S 2.8787(9) . ?
Au0N Pd12 2.7770(12) . ?
Au0N Br14 2.6629(15) . ?
Au0O Au0X 2.8683(10) . ?
Au0O Pd11 2.7908(12) . ?
Au0O Br18 2.6405(16) . ?
Au0P Au0P 2.9362(13) 2_654 ?
Au0P Au0R 2.8672(10) . ?
Au0P Au0Z 2.8259(10) 2_654 ?
Au0P Pd10 2.7747(12) . ?
Au0P Br13 2.6637(17) . ?
Au0Q Au0V 2.8859(10) . ?
Au0Q Au0W 2.8034(9) . ?
Au0Q Pd10 2.6824(12) . ?
Au0Q P01R 2.281(5) . ?
Au0R Au0W 2.8660(9) . ?
Au0R Au0Z 2.9709(9) . ?
Au0R Pd10 2.7807(12) . ?
Au0R Br1A 2.6325(17) . ?
Au0S Pd12 2.7900(12) . ?
Au0S Br19 2.6408(16) . ?
Au0T Au0X 2.9406(10) . ?
Au0T Pd12 2.7697(13) . ?
Au0T Br16 2.6532(19) . ?
Au0U Au0X 2.8022(9) . ?
Au0U Au0Y 2.8802(11) . ?
Au0U Pd11 2.6734(12) . ?
Au0U P01O 2.265(5) . ?
Au0V Au0W 2.8727(11) . ?
Au0V Au0W 2.9509(10) 2_654 ?
Au0V Au0Z 2.8692(9) 2_654 ?
Au0V Pd10 2.7758(13) . ?
Au0V Br17 2.6697(18) 2_654 ?
Au0W Pd10 2.7657(12) . ?
Au0W Br17 2.6300(16) . ?
Au0X Au0Y 2.8882(10) . ?
Au0X Pd11 2.7692(12) . ?
Au0X Br16 2.6289(16) . ?
Au0Y Pd11 2.7832(13) . ?
Au0Y Br15 2.6680(18) . ?
Au0Z Pd10 2.7239(14) 2_654 ?
Au0Z Br1A 2.6007(18) . ?
P01E C027 1.835(9) . ?
P01E C02N 1.846(9) . ?
P01E C02T 1.832(9) . ?
P01F C02C 1.833(9) . ?
P01F C02G 1.847(9) . ?
P01F C03J 1.818(9) . ?
P01G C02E 1.794(10) . ?
P01G C042 1.812(11) . ?
P01G C04G 1.813(10) . ?
P01H C02J 1.824(9) . ?
P01H C04B 1.806(9) . ?
P01H C059 1.822(9) . ?
P01I C03A 1.800(9) . ?
P01I C03M 1.826(9) . ?
P01I C028 1.816(9) . ?
P01J C032 1.816(9) . ?
P01J C034 1.812(9) . ?
P01J C03B 1.812(9) . ?
P01K C02P 1.807(11) . ?
P01K C03Z 1.805(10) . ?
P01K C06P 1.835(11) . ?
P01L C03F 1.811(9) . ?
P01L C04D 1.842(10) . ?
P01L C05F 1.798(12) . ?
P01M C04S 1.824(10) . ?
P01M C03U 1.813(11) . ?
P01M C07B 1.809(11) . ?
P01N C02H 1.833(9) . ?
P01N C02Z 1.826(10) . ?
P01N C03K 1.819(9) . ?
P01O C05H 1.821(13) . ?
P01O C186 1.791(13) . ?
P01O C07F 1.781(13) . ?
P01O C3BA 2.03(3) . ?
P01P C051 1.774(14) . ?
P01P C06C 1.785(12) . ?
P01P C04J 1.824(14) . ?
P01Q C03P 1.860(10) . ?
P01Q C03W 1.830(10) . ?
P01Q C06X 1.812(9) . ?
P01R C04Y 1.776(12) . ?
P01R C065 1.829(14) . ?
P01R C06T 1.775(14) . ?
P01S C048 1.832(9) . ?
P01S C04K 1.822(10) . ?
P01S C05Q 1.864(10) . ?
F01T C057 1.320(13) . ?
F01U C056 1.311(14) . ?
F01V C045 1.322(14) . ?
F01W C05W 1.303(14) . ?
F01X C05B 1.349(14) . ?
F01Y C04M 1.308(14) . ?
F01Z C069 1.321(14) . ?
F020 C06W 1.316(14) . ?
F021 C055 1.309(14) . ?
F022 C06L 1.313(14) . ?
F023 C07T 1.340(13) . ?
F024 C05O 1.345(15) . ?
F025 C05P 1.340(14) . ?
F026 C06K 1.320(13) . ?
C027 C02W 1.3900 . ?
C027 C04A 1.3900 . ?
C02W C04E 1.3900 . ?
C04E C05P 1.3900 . ?
C05P C078 1.3900 . ?
C078 C04A 1.3900 . ?
F029 C86 1.316(15) . ?
F02A C052 1.340(14) . ?
F02B C06U 1.306(14) . ?
C02C C02F 1.3900 . ?
C02C C05A 1.3900 . ?
C02F C033 1.3900 . ?
C033 C06L 1.3900 . ?
C06L C05Y 1.3900 . ?
C05Y C05A 1.3900 . ?
F02D C06N 1.319(14) . ?
C02E C4AA 1.3900 . ?
C02E C04T 1.3900 . ?
C4AA C116 1.3900 . ?
C116 C76 1.3900 . ?
C76 C0AA 1.3900 . ?
C76 F4 1.343(16) . ?
C0AA C04T 1.3900 . ?
C02G C06F 1.3900 . ?
C02G C038 1.3900 . ?
C06F C07Q 1.3900 . ?
C07Q C05W 1.3900 . ?
C05W C044 1.3900 . ?
C044 C038 1.3900 . ?
C02H C05U 1.3900 . ?
C02H C03G 1.3900 . ?
C05U C40 1.3900 . ?
C40 C080 1.3900 . ?
C080 C04O 1.3900 . ?
C080 F02K 1.333(14) . ?
C04O C03G 1.3900 . ?
F02I C148 1.343(16) . ?
C02N C02M 1.3900 . ?
C02N C06V 1.3900 . ?
C02M C03D 1.3900 . ?
C03D C055 1.3900 . ?
C055 C06I 1.3900 . ?
C06I C06V 1.3900 . ?
F02O C79 1.306(14) . ?
C02P C05T 1.3900 . ?
C02P C36 1.3900 . ?
C05T C129 1.3900 . ?
C129 C83 1.3900 . ?
C83 C95 1.3900 . ?
C83 F0AA 1.324(17) . ?
C95 C36 1.3900 . ?
F02Q C07L 1.320(13) . ?
F02R C085 1.303(15) . ?
C02T C03L 1.3900 . ?
C02T C04N 1.3900 . ?
C03L C07G 1.3900 . ?
C07G C04M 1.3900 . ?
C04M C07C 1.3900 . ?
C07C C04N 1.3900 . ?
F02X C190 1.301(15) . ?
C02Z C073 1.3900 . ?
C02Z C043 1.3900 . ?
C073 C105 1.3900 . ?
C105 C069 1.3900 . ?
C069 C03Q 1.3900 . ?
C03Q C043 1.3900 . ?
F030 C118 1.337(15) . ?
F031 C166 1.343(15) . ?
C032 C04C 1.3900 . ?
C032 C05D 1.3900 . ?
C04C C05E 1.3900 . ?
C05E C05O 1.3900 . ?
C05O C07M 1.3900 . ?
C07M C05D 1.3900 . ?
C034 C02Y 1.3900 . ?
C034 C04Q 1.3900 . ?
C02Y C03X 1.3900 . ?
C03X C07L 1.3900 . ?
C07L C06Y 1.3900 . ?
C06Y C04Q 1.3900 . ?
C03A C03H 1.3900 . ?
C03A C02U 1.3900 . ?
C03H C05X 1.3900 . ?
C05X C06N 1.3900 . ?
C06N C03N 1.3900 . ?
C03N C02U 1.3900 . ?
C03B C04H 1.3900 . ?
C03B C04F 1.3900 . ?
C04H C06Q 1.3900 . ?
C06Q C056 1.3900 . ?
C056 C06H 1.3900 . ?
C06H C04F 1.3900 . ?
F03E C149 1.326(17) . ?
C03F C03Y 1.3900 . ?
C03F C03T 1.3900 . ?
C03Y C049 1.3900 . ?
C049 C045 1.3900 . ?
C045 C05K 1.3900 . ?
C05K C03T 1.3900 . ?
C03J C047 1.3900 . ?
C03J C04X 1.3900 . ?
C047 C07I 1.3900 . ?
C07I C06K 1.3900 . ?
C06K C06D 1.3900 . ?
C06D C04X 1.3900 . ?
C03K C04W 1.3900 . ?
C03K C05S 1.3900 . ?
C04W C07A 1.3900 . ?
C07A C07T 1.3900 . ?
C07T C07K 1.3900 . ?
C07K C05S 1.3900 . ?
C03M C036 1.3900 . ?
C03M C03R 1.3900 . ?
C036 C03S 1.3900 . ?
C03S C05B 1.3900 . ?
C05B C06G 1.3900 . ?
C06G C03R 1.3900 . ?
C03O C02S 1.3900 . ?
C03O C5 1.3900 . ?
C02S C02J 1.3900 . ?
C02J C05J 1.3900 . ?
C05J C7 1.3900 . ?
C7 C5 1.3900 . ?
C5 F1 1.337(13) . ?
C03P C04I 1.3900 . ?
C03P C053 1.3900 . ?
C04I C071 1.3900 . ?
C071 C148 1.3900 . ?
C148 C07S 1.3900 . ?
C07S C053 1.3900 . ?
C03W C07R 1.3900 . ?
C03W C2AA 1.3900 . ?
C07R C10 1.3900 . ?
C10 C6AA 1.3900 . ?
C6AA C06Z 1.3900 . ?
C6AA F143 1.295(17) . ?
C06Z C2AA 1.3900 . ?
C03Z C06S 1.3900 . ?
C03Z C050 1.3900 . ?
C06S C07W 1.3900 . ?
C07W C085 1.3900 . ?
C085 C054 1.3900 . ?
C054 C050 1.3900 . ?
C042 C040 1.3900 . ?
C042 C05Z 1.3900 . ?
C040 C061 1.3900 . ?
C061 C7AA 1.3900 . ?
C7AA C167 1.3900 . ?
C7AA F07U 1.341(18) . ?
C167 C05Z 1.3900 . ?
F046 C0A7 1.346(17) . ?
C048 C03C 1.3900 . ?
C048 C03V 1.3900 . ?
C03C C08D 1.3900 . ?
C08D C06W 1.3900 . ?
C06W C06E 1.3900 . ?
C06E C03V 1.3900 . ?
C04D C05L 1.3900 . ?
C04D C05R 1.3900 . ?
C05L C072 1.3900 . ?
C072 C118 1.3900 . ?
C118 C150 1.3900 . ?
C150 C05R 1.3900 . ?
C04K C08X 1.3900 . ?
C04K C07H 1.3900 . ?
C08X C104 1.3900 . ?
C104 C110 1.3900 . ?
C110 C8 1.3900 . ?
C110 F2 1.328(15) . ?
C8 C07H 1.3900 . ?
C04P C05C 1.3900 . ?
C04P C04B 1.3900 . ?
C05C C052 1.3900 . ?
C052 C07D 1.3900 . ?
C07D C04V 1.3900 . ?
C04V C04B 1.3900 . ?
C04S C062 1.3900 . ?
C04S C24 1.3900 . ?
C062 C07J 1.3900 . ?
C07J C166 1.3900 . ?
C166 C089 1.3900 . ?
C089 C24 1.3900 . ?
C04Y C55 1.3900 . ?
C04Y C05N 1.3900 . ?
C55 C93 1.3900 . ?
C93 C125 1.3900 . ?
C125 C98 1.3900 . ?
C125 F122 1.338(19) . ?
C98 C05N 1.3900 . ?
C059 C039 1.3900 . ?
C059 C06J 1.3900 . ?
C039 C058 1.3900 . ?
C058 C057 1.3900 . ?
C057 C084 1.3900 . ?
C084 C06J 1.3900 . ?
C05V C075 1.3900 . ?
C05V C06P 1.3900 . ?
C075 C149 1.3900 . ?
C149 C168 1.3900 . ?
C168 C143 1.3900 . ?
C143 C06P 1.3900 . ?
C06X C06O 1.3900 . ?
C06X C04U 1.3900 . ?
C06O C066 1.3900 . ?
C066 C06U 1.3900 . ?
C06U C07X 1.3900 . ?
C07X C04U 1.3900 . ?
C08A C190 1.3900 . ?
C08A C05M 1.3900 . ?
C190 C07E 1.3900 . ?
C07E C04Z 1.3900 . ?
C04Z C05Q 1.3900 . ?
C05Q C05M 1.3900 . ?
F08G C144 1.307(17) . ?
C09K C051 1.3900 . ?
C09K C134 1.3900 . ?
C051 C106 1.3900 . ?
C106 C137 1.3900 . ?
C137 C22 1.3900 . ?
C22 C134 1.3900 . ?
C22 F145 1.35(2) . ?
C09W C1BA 1.3900 . ?
C09W C05H 1.3900 . ?
C1BA C3AA 1.3900 . ?
C3AA C09J 1.3900 . ?
C3AA F146 1.30(3) . ?
C09J C132 1.3900 . ?
C132 C05H 1.3900 . ?
C103 C141 1.3900 . ?
C103 C49 1.3900 . ?
C103 F17 1.320(18) . ?
C141 C09N 1.3900 . ?
C09N C05F 1.3900 . ?
C05F C06M 1.3900 . ?
C06M C49 1.3900 . ?
F123 C89 1.38(2) . ?
C126 C135 1.3900 . ?
C126 C198 1.3900 . ?
C126 F12 1.329(18) . ?
C135 C67 1.3900 . ?
C67 C06C 1.3900 . ?
C06C C06B 1.3900 . ?
C06B C198 1.3900 . ?
F26 C138 1.33(2) . ?
F177 C1AA 1.40(2) . ?
C86 C070 1.3900 . ?
C86 C081 1.3900 . ?
C070 C03I 1.3900 . ?
C03I C04G 1.3900 . ?
C04G C063 1.3900 . ?
C063 C081 1.3900 . ?
C5AA C05G 1.3900 . ?
C5AA C79 1.3900 . ?
C05G C028 1.3900 . ?
C028 C02V 1.3900 . ?
C02V C035 1.3900 . ?
C035 C79 1.3900 . ?
C144 C112 1.3900 . ?
C144 C9AA 1.3900 . ?
C112 C61 1.3900 . ?
C61 C03U 1.3900 . ?
C03U C101 1.3900 . ?
C101 C9AA 1.3900 . ?
F151 C191 1.28(2) . ?
C191 C174 1.3900 . ?
C191 C113 1.3900 . ?
C174 C08Z 1.3900 . ?
C08Z C04J 1.3900 . ?
C04J C46 1.3900 . ?
C46 C113 1.3900 . ?
F8AA C114 1.30(2) . ?
C114 C173 1.3900 . ?
C114 C0BA 1.3900 . ?
C173 C07O 1.3900 . ?
C07O C065 1.3900 . ?
C065 C0A0 1.3900 . ?
C0A0 C0BA 1.3900 . ?
C187 C07B 1.3900 . ?
C187 C155 1.3900 . ?
C07B C076 1.3900 . ?
C076 C06A 1.3900 . ?
C06A C0A7 1.3900 . ?
C0A7 C155 1.3900 . ?
C3 C130 1.3900 . ?
C3 C89 1.3900 . ?
C130 C06T 1.3900 . ?
C06T C092 1.3900 . ?
C092 C164 1.3900 . ?
C164 C89 1.3900 . ?
C56 C1AA 1.3900 . ?
C56 C63 1.3900 . ?
C1AA C154 1.3900 . ?
C154 C156 1.3900 . ?
C156 C186 1.3900 . ?
C186 C63 1.3900 . ?
C07F C09D 1.3900 . ?
C07F C06R 1.3900 . ?
C09D C8AA 1.3900 . ?
C8AA C138 1.3900 . ?
C138 C120 1.3900 . ?
C120 C06R 1.3900 . ?
C3BA C09E 1.3900 . ?
C3BA C2BA 1.3900 . ?
C09E C8AB 1.3900 . ?
C8AB C1 1.3900 . ?
C1 C2 1.3900 . ?
C1 F26A 1.51(5) . ?
C2 C2BA 1.3900 . ?

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
Au0P Au01 Au0P 61.95(3) . 2_654 ?
Au0P Au01 Au0Z 59.08(2) 2_654 . ?
Au0P Au01 Au0Z 59.08(2) . 2_654 ?
Au0P Au01 Au0Z 96.43(3) 2_654 2_654 ?
Au0P Au01 Au0Z 96.43(3) . . ?
Au0R Au01 Au0P 87.45(3) 2_654 . ?
Au0R Au01 Au0P 60.86(2) . . ?
Au0R Au01 Au0P 60.86(2) 2_654 2_654 ?
Au0R Au01 Au0P 87.45(3) . 2_654 ?
Au0R Au01 Au0R 143.89(4) . 2_654 ?
Au0R Au01 Au0V 95.57(2) . 2_654 ?
Au0R Au01 Au0V 110.08(2) 2_654 2_654 ?
Au0R Au01 Au0V 110.08(2) . . ?
Au0R Au01 Au0V 95.57(2) 2_654 . ?
Au0R Au01 Au0W 153.97(3) . 2_654 ?
Au0R Au01 Au0W 153.97(3) 2_654 . ?
Au0R Au01 Au0W 61.03(2) 2_654 2_654 ?
Au0R Au01 Au0W 61.03(2) . . ?
Au0R Au01 Au0Z 62.97(2) . . ?
Au0R Au01 Au0Z 62.97(2) 2_654 2_654 ?
Au0R Au01 Au0Z 108.01(2) 2_654 . ?
Au0R Au01 Au0Z 108.01(2) . 2_654 ?
Au0V Au01 Au0P 108.777(19) 2_654 2_654 ?
Au0V Au01 Au0P 108.781(19) . . ?
Au0V Au01 Au0P 153.71(2) 2_654 . ?
Au0V Au01 Au0P 153.71(2) . 2_654 ?
Au0V Au01 Au0V 89.44(4) 2_654 . ?
Au0V Au01 Au0Z 146.18(3) . . ?
Au0V Au01 Au0Z 60.14(2) 2_654 . ?
Au0V Au01 Au0Z 146.18(3) 2_654 2_654 ?
Au0V Au01 Au0Z 60.14(2) . 2_654 ?
Au0W Au01 Au0P 144.50(2) 2_654 . ?
Au0W Au01 Au0P 109.38(2) 2_654 2_654 ?
Au0W Au01 Au0P 109.38(2) . . ?
Au0W Au01 Au0P 144.50(2) . 2_654 ?
Au0W Au01 Au0V 60.73(3) . . ?
Au0W Au01 Au0V 62.57(2) 2_654 . ?
Au0W Au01 Au0V 62.57(2) . 2_654 ?
Au0W Au01 Au0V 60.73(3) 2_654 2_654 ?
Au0W Au01 Au0W 96.14(4) 2_654 . ?
Au0W Au01 Au0Z 90.18(2) . . ?
Au0W Au01 Au0Z 90.18(2) 2_654 2_654 ?
Au0W Au01 Au0Z 108.06(2) 2_654 . ?
Au0W Au01 Au0Z 108.06(2) . 2_654 ?
Au0Z Au01 Au0Z 152.90(4) 2_654 . ?
Pd10 Au01 Au0P 120.61(4) . 2_654 ?
Pd10 Au01 Au0P 58.94(3) 2_654 2_654 ?
Pd10 Au01 Au0P 120.61(4) 2_654 . ?
Pd10 Au01 Au0P 58.94(3) . . ?
Pd10 Au01 Au0R 59.61(3) . . ?
Pd10 Au01 Au0R 120.23(3) 2_654 . ?
Pd10 Au01 Au0R 120.23(3) . 2_654 ?
Pd10 Au01 Au0R 59.61(3) 2_654 2_654 ?
Pd10 Au01 Au0V 121.34(3) 2_654 . ?
Pd10 Au01 Au0V 59.03(3) . . ?
Pd10 Au01 Au0V 121.35(3) . 2_654 ?
Pd10 Au01 Au0V 59.03(3) 2_654 2_654 ?
Pd10 Au01 Au0W 58.93(3) . . ?
Pd10 Au01 Au0W 121.43(3) . 2_654 ?
Pd10 Au01 Au0W 121.42(3) 2_654 . ?
Pd10 Au01 Au0W 58.92(3) 2_654 2_654 ?
Pd10 Au01 Au0Z 57.45(3) . 2_654 ?
Pd10 Au01 Au0Z 122.43(3) 2_654 2_654 ?
Pd10 Au01 Au0Z 57.45(3) 2_654 . ?
Pd10 Au01 Au0Z 122.42(3) . . ?
Pd10 Au01 Pd10 179.55(6) 2_654 . ?
Au04 Au02 Au09 56.60(2) . . ?
Au04 Au02 Au0H 61.85(2) . . ?
Au0C Au02 Au04 110.27(3) . . ?
Au0C Au02 Au09 106.65(3) . . ?
Au0C Au02 Au0H 62.40(2) . . ?
Au0H Au02 Au09 106.57(3) . . ?
Au0I Au02 Au04 104.96(3) . . ?
Au0I Au02 Au09 58.03(2) . . ?
Au0I Au02 Au0C 60.31(2) . . ?
Au0I Au02 Au0H 109.25(3) . . ?
Pd11 Au02 Au04 57.68(3) . . ?
Pd11 Au02 Au09 57.79(3) . . ?
Pd11 Au02 Au0C 58.51(3) . . ?
Pd11 Au02 Au0H 57.52(3) . . ?
Pd11 Au02 Au0I 58.84(3) . . ?
P01F Au02 Au04 120.99(11) . . ?
P01F Au02 Au09 122.93(11) . . ?
P01F Au02 Au0C 121.97(11) . . ?
P01F Au02 Au0H 120.87(12) . . ?
P01F Au02 Au0I 123.02(12) . . ?
P01F Au02 Pd11 178.14(13) . . ?
Au0F Au03 Au0E 59.96(2) . . ?
Au0F Au03 Au0J 107.53(3) . . ?
Au0F Au03 Au0R 110.09(3) . . ?
Au0J Au03 Au0E 58.93(2) . . ?
Au0J Au03 Au0R 58.14(2) . . ?
Au0P Au03 Au0E 111.05(3) . . ?
Au0P Au03 Au0F 64.05(2) . . ?
Au0P Au03 Au0J 107.93(3) . . ?
Au0P Au03 Au0R 60.30(2) . . ?
Au0R Au03 Au0E 106.42(3) . . ?
Pd10 Au03 Au0E 57.12(3) . . ?
Pd10 Au03 Au0F 58.23(3) . . ?
Pd10 Au03 Au0J 57.86(3) . . ?
Pd10 Au03 Au0P 60.75(3) . . ?
Pd10 Au03 Au0R 59.36(3) . . ?
P01I Au03 Au0E 124.03(11) . . ?
P01I Au03 Au0F 118.79(11) . . ?
P01I Au03 Au0J 125.84(12) . . ?
P01I Au03 Au0P 116.35(11) . . ?
P01I Au03 Au0R 121.84(11) . . ?
P01I Au03 Pd10 176.30(12) . . ?
Au02 Au04 Au08 107.48(3) . . ?
Au02 Au04 Au0H 59.58(2) . . ?
Au02 Au04 Au0O 110.18(3) . . ?
Au08 Au04 Au0H 59.16(2) . . ?
Au08 Au04 Au0O 57.95(2) . . ?
Au09 Au04 Au02 63.97(2) . . ?
Au09 Au04 Au08 107.76(3) . . ?
Au09 Au04 Au0H 110.57(3) . . ?
Au09 Au04 Au0O 60.45(2) . . ?
Au0O Au04 Au0H 106.36(3) . . ?
Pd11 Au04 Au02 58.06(3) . . ?
Pd11 Au04 Au08 57.88(3) . . ?
Pd11 Au04 Au09 60.65(3) . . ?
Pd11 Au04 Au0H 56.80(3) . . ?
Pd11 Au04 Au0O 59.55(3) . . ?
P01J Au04 Au02 119.12(11) . . ?
P01J Au04 Au08 125.64(12) . . ?
P01J Au04 Au09 116.57(12) . . ?
P01J Au04 Au0H 124.33(11) . . ?
P01J Au04 Au0O 121.57(10) . . ?
P01J Au04 Pd11 176.48(12) . . ?
Au09 Au05 Au0I 59.24(2) . . ?
Au09 Au05 Au0M 96.34(3) . . ?
Au0I Au05 Au0M 152.98(3) . . ?
Au0L Au05 Au09 144.42(3) . . ?
Au0L Au05 Au0I 89.85(3) . . ?
Au0L Au05 Au0M 108.40(3) . . ?
Au0L Au05 Au0N 109.67(3) . . ?
Au0L Au05 Au0T 61.00(2) . . ?
Au0L Au05 Au0Y 62.20(2) . . ?
Au0N Au05 Au09 61.81(2) . . ?
Au0N Au05 Au0I 96.43(3) . . ?
Au0N Au05 Au0M 59.15(2) . . ?
Au0N Au05 Au0T 108.77(3) . . ?
Au0N Au05 Au0Y 153.53(3) . . ?
Au0O Au05 Au09 60.86(2) . . ?
Au0O Au05 Au0I 108.36(3) . . ?
Au0O Au05 Au0L 154.05(3) . . ?
Au0O Au05 Au0M 62.52(2) . . ?
Au0O Au05 Au0N 87.06(3) . . ?
Au0O Au05 Au0T 95.36(3) . . ?
Au0O Au05 Au0X 61.13(2) . . ?
Au0O Au05 Au0Y 110.62(3) . . ?
Au0S Au05 Au09 87.42(3) . . ?
Au0S Au05 Au0I 62.55(2) . . ?
Au0S Au05 Au0L 60.98(2) . . ?
Au0S Au05 Au0M 108.51(3) . . ?
Au0S Au05 Au0N 61.23(2) . . ?
Au0S Au05 Au0O 143.86(3) . . ?
Au0S Au05 Au0T 110.32(3) . . ?
Au0S Au05 Au0X 153.89(3) . . ?
Au0S Au05 Au0Y 95.01(3) . . ?
Au0T Au05 Au09 153.54(3) . . ?
Au0T Au05 Au0I 146.22(3) . . ?
Au0T Au05 Au0M 60.03(2) . . ?
Au0X Au05 Au09 109.44(3) . . ?
Au0X Au05 Au0I 108.34(3) . . ?
Au0X Au05 Au0L 96.12(3) . . ?
Au0X Au05 Au0M 89.82(3) . . ?
Au0X Au05 Au0N 144.21(3) . . ?
Au0X Au05 Au0T 62.40(2) . . ?
Au0X Au05 Au0Y 61.19(2) . . ?
Au0Y Au05 Au09 108.81(3) . . ?
Au0Y Au05 Au0I 59.95(2) . . ?
Au0Y Au05 Au0M 146.30(3) . . ?
Au0Y Au05 Au0T 89.64(3) . . ?
Pd11 Au05 Au09 58.85(3) . . ?
Pd11 Au05 Au0I 57.55(3) . . ?
Pd11 Au05 Au0L 121.31(3) . . ?
Pd11 Au05 Au0M 122.22(4) . . ?
Pd11 Au05 Au0N 120.37(3) . . ?
Pd11 Au05 Au0O 59.86(3) . . ?
Pd11 Au05 Au0S 119.90(3) . . ?
Pd11 Au05 Au0T 121.43(4) . . ?
Pd11 Au05 Au0X 59.18(3) . . ?
Pd11 Au05 Au0Y 59.27(3) . . ?
Pd12 Au05 Au09 120.69(3) . . ?
Pd12 Au05 Au0I 122.33(4) . . ?
Pd12 Au05 Au0L 59.06(3) . . ?
Pd12 Au05 Au0M 57.65(3) . . ?
Pd12 Au05 Au0N 59.17(3) . . ?
Pd12 Au05 Au0O 119.97(3) . . ?
Pd12 Au05 Au0S 59.94(3) . . ?
Pd12 Au05 Au0T 58.95(3) . . ?
Pd12 Au05 Au0X 121.18(3) . . ?
Pd12 Au05 Au0Y 121.12(3) . . ?
Pd12 Au05 Pd11 179.53(4) . . ?
Au07 Au06 Au0A 107.79(3) . . ?
Au07 Au06 Au0D 59.91(2) . . ?
Au07 Au06 Au0S 110.46(3) . . ?
Au0A Au06 Au0D 59.11(2) . . ?
Au0A Au06 Au0S 58.16(2) . . ?
Au0N Au06 Au07 63.99(2) . . ?
Au0N Au06 Au0A 108.27(3) . . ?
Au0N Au06 Au0D 111.03(3) . . ?
Au0N Au06 Au0S 60.70(2) . . ?
Au0S Au06 Au0D 106.61(3) . . ?
Pd12 Au06 Au07 58.23(3) . . ?
Pd12 Au06 Au0A 58.06(3) . . ?
Pd12 Au06 Au0D 56.97(3) . . ?
Pd12 Au06 Au0N 60.98(3) . . ?
Pd12 Au06 Au0S 59.76(3) . . ?
P01H Au06 Au07 118.69(11) . . ?
P01H Au06 Au0A 125.71(12) . . ?
P01H Au06 Au0D 124.15(11) . . ?
P01H Au06 Au0N 116.10(11) . . ?
P01H Au06 Au0S 121.53(10) . . ?
P01H Au06 Pd12 176.23(12) . . ?
Au06 Au07 Au0D 61.72(2) . . ?
Au06 Au07 Au0N 56.65(2) . . ?
Au0B Au07 Au06 109.94(3) . . ?
Au0B Au07 Au0D 62.17(2) . . ?
Au0B Au07 Au0N 106.85(3) . . ?
Au0D Au07 Au0N 106.68(3) . . ?
Au0M Au07 Au06 104.81(3) . . ?
Au0M Au07 Au0B 60.67(2) . . ?
Au0M Au07 Au0D 109.36(3) . . ?
Au0M Au07 Au0N 57.95(2) . . ?
Pd12 Au07 Au06 57.37(3) . . ?
Pd12 Au07 Au0B 58.53(3) . . ?
Pd12 Au07 Au0D 57.39(3) . . ?
Pd12 Au07 Au0M 59.05(3) . . ?
Pd12 Au07 Au0N 57.96(3) . . ?
P01N Au07 Au06 121.34(12) . . ?
P01N Au07 Au0B 121.98(11) . . ?
P01N Au07 Au0D 121.16(12) . . ?
P01N Au07 Au0M 122.68(12) . . ?
P01N Au07 Au0N 122.62(11) . . ?
P01N Au07 Pd12 178.28(13) . . ?
Au04 Au08 Au0H 61.88(2) . . ?
Au04 Au08 Au0U 106.86(3) . . ?
Au04 Au08 Au0X 108.06(3) . . ?
Au0H Au08 Au0U 59.12(2) . . ?
Au0H Au08 Au0X 106.83(3) . . ?
Au0O Au08 Au04 61.53(2) . . ?
Au0O Au08 Au0H 111.43(3) . . ?
Au0O Au08 Au0U 106.43(3) . . ?
Au0O Au08 Au0X 60.31(2) . . ?
Au0X Au08 Au0U 57.17(2) . . ?
Pd11 Au08 Au04 57.56(3) . . ?
Pd11 Au08 Au0H 57.70(3) . . ?
Pd11 Au08 Au0O 60.80(3) . . ?
Pd11 Au08 Au0U 56.17(3) . . ?
Pd11 Au08 Au0X 59.09(3) . . ?
P01Q Au08 Au04 115.91(12) . . ?
P01Q Au08 Au0H 125.54(11) . . ?
P01Q Au08 Au0O 112.06(12) . . ?
P01Q Au08 Au0U 132.13(13) . . ?
P01Q Au08 Au0X 122.52(11) . . ?
P01Q Au08 Pd11 171.63(13) . . ?
Au04 Au09 Au02 59.43(2) . . ?
Au04 Au09 Au05 108.56(3) . . ?
Au04 Au09 Au0I 107.52(3) . . ?
Au04 Au09 Au0N 143.52(3) . . ?
Au04 Au09 Au0O 61.95(2) . . ?
Au05 Au09 Au02 106.60(3) . . ?
Au05 Au09 Au0N 58.96(2) . . ?
Au05 Au09 Au0O 58.88(2) . . ?
Au0I Au09 Au02 58.28(2) . . ?
Au0I Au09 Au05 60.98(2) . . ?
Au0I Au09 Au0N 95.72(3) . . ?
Au0I Au09 Au0O 108.18(3) . . ?
Au0N Au09 Au02 153.36(3) . . ?
Au0O Au09 Au02 107.86(3) . . ?
Au0O Au09 Au0N 84.49(3) . . ?
Pd11 Au09 Au02 55.81(3) . . ?
Pd11 Au09 Au04 58.06(3) . . ?
Pd11 Au09 Au05 59.26(3) . . ?
Pd11 Au09 Au0I 58.27(3) . . ?
Pd11 Au09 Au0N 117.95(3) . . ?
Pd11 Au09 Au0O 59.30(3) . . ?
Br14 Au09 Au02 131.40(4) . . ?
Br14 Au09 Au04 122.36(4) . . ?
Br14 Au09 Au05 115.68(4) . . ?
Br14 Au09 Au0I 125.31(5) . . ?
Br14 Au09 Au0N 56.72(3) . . ?
Br14 Au09 Au0O 113.79(4) . . ?
Br14 Au09 Pd11 172.61(5) . . ?
Au06 Au0A Au0D 61.88(2) . . ?
Au06 Au0A Au0K 106.75(3) . . ?
Au06 Au0A Au0L 107.72(3) . . ?
Au0D Au0A Au0K 59.07(2) . . ?
Au0D Au0A Au0L 106.92(3) . . ?
Au0L Au0A Au0K 57.44(2) . . ?
Au0S Au0A Au06 61.25(2) . . ?
Au0S Au0A Au0D 111.33(3) . . ?
Au0S Au0A Au0K 106.60(3) . . ?
Au0S Au0A Au0L 60.25(2) . . ?
Pd12 Au0A Au06 57.17(3) . . ?
Pd12 Au0A Au0D 57.74(3) . . ?
Pd12 Au0A Au0K 56.45(3) . . ?
Pd12 Au0A Au0L 59.17(3) . . ?
Pd12 Au0A Au0S 60.64(3) . . ?
P01L Au0A Au06 116.29(12) . . ?
P01L Au0A Au0D 125.44(11) . . ?
P01L Au0A Au0K 131.82(12) . . ?
P01L Au0A Au0L 122.50(12) . . ?
P01L Au0A Au0S 112.30(11) . . ?
P01L Au0A Pd12 171.67(12) . . ?
Au07 Au0B Au0D 59.82(2) . . ?
Au07 Au0B Au0K 106.80(3) . . ?
Au07 Au0B Au0M 59.18(2) . . ?
Au0K Au0B Au0D 58.64(2) . . ?
Au0M Au0B Au0D 106.37(3) . . ?
Au0M Au0B Au0K 107.04(3) . . ?
Au0T Au0B Au07 108.38(3) . . ?
Au0T Au0B Au0D 107.74(3) . . ?
Au0T Au0B Au0K 60.52(2) . . ?
Au0T Au0B Au0M 60.33(2) . . ?
Pd12 Au0B Au07 57.87(3) . . ?
Pd12 Au0B Au0D 56.37(3) . . ?
Pd12 Au0B Au0K 56.99(3) . . ?
Pd12 Au0B Au0M 58.30(3) . . ?
Pd12 Au0B Au0T 59.73(3) . . ?
P01K Au0B Au07 122.82(12) . . ?
P01K Au0B Au0D 124.69(13) . . ?
P01K Au0B Au0K 122.95(12) . . ?
P01K Au0B Au0M 121.08(13) . . ?
P01K Au0B Au0T 119.17(12) . . ?
P01K Au0B Pd12 178.87(13) . . ?
Au02 Au0C Au0H 59.39(2) . . ?
Au02 Au0C Au0I 59.46(2) . . ?
Au02 Au0C Au0U 106.60(3) . . ?
Au0I Au0C Au0H 106.24(3) . . ?
Au0I Au0C Au0U 106.83(3) . . ?
Au0U Au0C Au0H 58.84(2) . . ?
Au0Y Au0C Au02 108.62(3) . . ?
Au0Y Au0C Au0H 107.96(3) . . ?
Au0Y Au0C Au0I 60.28(2) . . ?
Au0Y Au0C Au0U 60.51(2) . . ?
Pd11 Au0C Au02 57.80(3) . . ?
Pd11 Au0C Au0H 56.24(3) . . ?
Pd11 Au0C Au0I 58.31(3) . . ?
Pd11 Au0C Au0U 56.88(3) . . ?
Pd11 Au0C Au0Y 59.98(3) . . ?
P01G Au0C Au02 122.90(11) . . ?
P01G Au0C Au0H 124.92(13) . . ?
P01G Au0C Au0I 120.96(13) . . ?
P01G Au0C Au0U 123.12(12) . . ?
P01G Au0C Au0Y 118.85(12) . . ?
P01G Au0C Pd11 178.77(13) . . ?
Au06 Au0D Au0B 104.10(3) . . ?
Au07 Au0D Au06 58.37(2) . . ?
Au07 Au0D Au0B 58.01(2) . . ?
Au0A Au0D Au06 59.02(2) . . ?
Au0A Au0D Au07 106.47(3) . . ?
Au0A Au0D Au0B 107.42(3) . . ?
Au0K Au0D Au06 106.36(3) . . ?
Au0K Au0D Au07 105.62(3) . . ?
Au0K Au0D Au0A 61.44(2) . . ?
Au0K Au0D Au0B 58.99(2) . . ?
Pd12 Au0D Au06 56.15(3) . . ?
Pd12 Au0D Au07 57.39(3) . . ?
Pd12 Au0D Au0A 57.77(3) . . ?
Pd12 Au0D Au0B 56.99(3) . . ?
Pd12 Au0D Au0K 57.31(3) . . ?
Br1C Au0D Au06 124.07(6) . . ?
Br1C Au0D Au07 123.68(6) . . ?
Br1C Au0D Au0A 121.29(5) . . ?
Br1C Au0D Au0B 123.48(6) . . ?
Br1C Au0D Au0K 121.91(6) . . ?
Br1C Au0D Pd12 178.92(6) . . ?
Au03 Au0E Au0G 103.97(3) . . ?
Au0F Au0E Au03 58.14(2) . . ?
Au0F Au0E Au0G 58.12(2) . . ?
Au0J Au0E Au03 59.09(2) . . ?
Au0J Au0E Au0F 106.18(3) . . ?
Au0J Au0E Au0G 107.00(3) . . ?
Au0J Au0E Au0Q 61.39(2) . . ?
Au0Q Au0E Au03 106.37(3) . . ?
Au0Q Au0E Au0F 105.40(3) . . ?
Au0Q Au0E Au0G 58.63(2) . . ?
Pd10 Au0E Au03 56.27(3) . . ?
Pd10 Au0E Au0F 57.27(3) . . ?
Pd10 Au0E Au0G 56.68(3) . . ?
Pd10 Au0E Au0J 57.65(3) . . ?
Pd10 Au0E Au0Q 57.11(3) . . ?
Br1D Au0E Au03 123.94(6) . . ?
Br1D Au0E Au0F 123.66(6) . . ?
Br1D Au0E Au0G 123.70(6) . . ?
Br1D Au0E Au0J 121.55(6) . . ?
Br1D Au0E Au0Q 122.21(6) . . ?
Br1D Au0E Pd10 179.07(7) . . ?
Au03 Au0F Au0E 61.90(2) . . ?
Au03 Au0F Au0G 110.07(3) . . ?
Au03 Au0F Au0P 56.90(2) . . ?
Au0E Au0F Au0P 106.95(3) . . ?
Au0G Au0F Au0E 62.22(2) . . ?
Au0G Au0F Au0P 106.64(3) . . ?
Au0Z Au0F Au03 104.90(3) 2_654 . ?
Au0Z Au0F Au0E 109.36(3) 2_654 . ?
Au0Z Au0F Au0G 60.50(2) 2_654 . ?
Au0Z Au0F Au0P 57.77(2) 2_654 . ?
Pd10 Au0F Au03 57.77(3) . . ?
Pd10 Au0F Au0E 57.70(3) . . ?
Pd10 Au0F Au0G 58.32(3) . . ?
Pd10 Au0F Au0P 57.95(3) . . ?
Pd10 Au0F Au0Z 58.72(3) . 2_654 ?
P01E Au0F Au03 120.80(12) . . ?
P01E Au0F Au0E 120.55(11) . . ?
P01E Au0F Au0G 122.18(12) . . ?
P01E Au0F Au0P 122.83(11) . . ?
P01E Au0F Au0Z 123.29(12) . 2_654 ?
P01E Au0F Pd10 177.99(12) . . ?
Au0F Au0G Au0E 59.66(2) . . ?
Au0F Au0G Au0Q 106.87(3) . . ?
Au0F Au0G Au0Z 59.37(2) . 2_654 ?
Au0Q Au0G Au0E 58.91(2) . . ?
Au0Q Au0G Au0Z 107.04(3) . 2_654 ?
Au0V Au0G Au0E 108.15(3) . . ?
Au0V Au0G Au0F 108.57(3) . . ?
Au0V Au0G Au0Q 60.65(2) . . ?
Au0V Au0G Au0Z 60.25(2) . 2_654 ?
Au0Z Au0G Au0E 106.48(3) 2_654 . ?
Pd10 Au0G Au0E 56.64(3) . . ?
Pd10 Au0G Au0F 57.84(3) . . ?
Pd10 Au0G Au0Q 57.20(3) . . ?
Pd10 Au0G Au0V 59.89(3) . . ?
Pd10 Au0G Au0Z 58.16(3) . 2_654 ?
P01M Au0G Au0E 124.44(13) . . ?
P01M Au0G Au0F 123.00(12) . . ?
P01M Au0G Au0Q 122.61(12) . . ?
P01M Au0G Au0V 118.92(13) . . ?
P01M Au0G Au0Z 121.28(13) . 2_654 ?
P01M Au0G Pd10 178.79(14) . . ?
Au02 Au0H Au04 58.58(2) . . ?
Au02 Au0H Au0C 58.21(2) . . ?
Au04 Au0H Au0C 104.47(3) . . ?
Au08 Au0H Au02 106.50(3) . . ?
Au08 Au0H Au04 58.95(2) . . ?
Au08 Au0H Au0C 107.38(3) . . ?
Au0U Au0H Au02 105.52(3) . . ?
Au0U Au0H Au04 106.49(3) . . ?
Au0U Au0H Au08 61.56(2) . . ?
Au0U Au0H Au0C 58.68(2) . . ?
Pd11 Au0H Au02 57.59(3) . . ?
Pd11 Au0H Au04 56.50(3) . . ?
Pd11 Au0H Au08 57.71(3) . . ?
Pd11 Au0H Au0C 56.98(3) . . ?
Pd11 Au0H Au0U 57.05(3) . . ?
Br1B Au0H Au02 123.48(6) . . ?
Br1B Au0H Au04 123.67(6) . . ?
Br1B Au0H Au08 121.34(6) . . ?
Br1B Au0H Au0C 123.53(5) . . ?
Br1B Au0H Au0U 122.21(6) . . ?
Br1B Au0H Pd11 178.92(6) . . ?
Au02 Au0I Au05 109.88(3) . . ?
Au02 Au0I Au0C 60.23(2) . . ?
Au02 Au0I Au0S 146.62(3) . . ?
Au02 Au0I Au0Y 108.44(3) . . ?
Au05 Au0I Au0S 57.39(2) . . ?
Au09 Au0I Au02 63.69(2) . . ?
Au09 Au0I Au05 59.78(2) . . ?
Au09 Au0I Au0C 111.05(3) . . ?
Au09 Au0I Au0S 84.88(3) . . ?
Au09 Au0I Au0Y 108.74(3) . . ?
Au0C Au0I Au05 107.25(3) . . ?
Au0C Au0I Au0S 149.53(3) . . ?
Au0Y Au0I Au05 59.32(2) . . ?
Au0Y Au0I Au0C 59.30(2) . . ?
Au0Y Au0I Au0S 91.43(3) . . ?
Pd11 Au0I Au02 58.05(3) . . ?
Pd11 Au0I Au05 59.25(3) . . ?
Pd11 Au0I Au09 59.60(3) . . ?
Pd11 Au0I Au0C 58.24(3) . . ?
Pd11 Au0I Au0S 116.45(3) . . ?
Pd11 Au0I Au0Y 59.60(3) . . ?
Br19 Au0I Au02 125.41(5) . . ?
Br19 Au0I Au05 113.71(4) . . ?
Br19 Au0I Au09 114.36(5) . . ?
Br19 Au0I Au0C 129.57(5) . . ?
Br19 Au0I Au0S 56.33(4) . . ?
Br19 Au0I Au0Y 121.31(5) . . ?
Br19 Au0I Pd11 172.05(5) . . ?
Au03 Au0J Au0Q 107.05(3) . . ?
Au03 Au0J Au0W 107.88(3) . . ?
Au0E Au0J Au03 61.98(2) . . ?
Au0E Au0J Au0Q 59.38(2) . . ?
Au0E Au0J Au0W 107.13(3) . . ?
Au0R Au0J Au03 61.38(2) . . ?
Au0R Au0J Au0E 111.49(3) . . ?
Au0R Au0J Au0Q 106.45(3) . . ?
Au0R Au0J Au0W 60.13(2) . . ?
Au0W Au0J Au0Q 57.31(2) . . ?
Pd10 Au0J Au03 57.45(3) . . ?
Pd10 Au0J Au0E 58.13(3) . . ?
Pd10 Au0J Au0Q 56.53(3) . . ?
Pd10 Au0J Au0R 60.45(3) . . ?
Pd10 Au0J Au0W 59.00(3) . . ?
P01S Au0J Au03 115.81(12) . . ?
P01S Au0J Au0E 125.10(12) . . ?
P01S Au0J Au0Q 131.99(12) . . ?
P01S Au0J Au0R 112.28(12) . . ?
P01S Au0J Au0W 122.72(12) . . ?
P01S Au0J Pd10 171.42(13) . . ?
Au0B Au0K Au0A 108.53(3) . . ?
Au0D Au0K Au0A 59.49(2) . . ?
Au0D Au0K Au0B 62.37(2) . . ?
Au0D Au0K Au0T 109.33(3) . . ?
Au0L Au0K Au0A 60.29(2) . . ?
Au0L Au0K Au0B 108.90(3) . . ?
Au0L Au0K Au0D 109.62(3) . . ?
Au0L Au0K Au0T 60.97(2) . . ?
Au0T Au0K Au0A 107.96(3) . . ?
Au0T Au0K Au0B 58.78(2) . . ?
Pd12 Au0K Au0A 57.29(3) . . ?
Pd12 Au0K Au0B 58.48(3) . . ?
Pd12 Au0K Au0D 58.15(3) . . ?
Pd12 Au0K Au0L 60.56(3) . . ?
Pd12 Au0K Au0T 59.56(3) . . ?
P01P Au0K Au0A 121.25(16) . . ?
P01P Au0K Au0B 123.24(15) . . ?
P01P Au0K Au0D 122.26(16) . . ?
P01P Au0K Au0L 118.11(15) . . ?
P01P Au0K Au0T 121.04(17) . . ?
P01P Au0K Pd12 178.28(16) . . ?
Au05 Au0L Au0A 106.09(3) . . ?
Au05 Au0L Au0S 58.97(2) . . ?
Au05 Au0L Au0T 59.69(2) . . ?
Au05 Au0L Au0Y 59.05(2) . . ?
Au0A Au0L Au0Y 148.97(3) . . ?
Au0K Au0L Au05 108.41(3) . . ?
Au0K Au0L Au0A 62.27(2) . . ?
Au0K Au0L Au0S 109.14(3) . . ?
Au0K Au0L Au0T 60.85(2) . . ?
Au0K Au0L Au0Y 145.48(3) . . ?
Au0S Au0L Au0A 58.57(2) . . ?
Au0S Au0L Au0T 107.64(3) . . ?
Au0S Au0L Au0Y 91.87(3) . . ?
Au0T Au0L Au0A 109.39(3) . . ?
Au0T Au0L Au0Y 87.18(3) . . ?
Pd12 Au0L Au05 59.40(3) . . ?
Pd12 Au0L Au0A 57.13(3) . . ?
Pd12 Au0L Au0K 57.52(3) . . ?
Pd12 Au0L Au0S 59.35(3) . . ?
Pd12 Au0L Au0T 58.60(3) . . ?
Pd12 Au0L Au0Y 118.31(4) . . ?
Br15 Au0L Au05 115.97(5) . . ?
Br15 Au0L Au0A 130.29(5) . . ?
Br15 Au0L Au0K 122.09(5) . . ?
Br15 Au0L Au0S 124.78(5) . . ?
Br15 Au0L Au0T 114.00(5) . . ?
Br15 Au0L Au0Y 56.98(4) . . ?
Br15 Au0L Pd12 172.31(6) . . ?
Au05 Au0M Au0O 57.51(2) . . ?
Au07 Au0M Au05 109.88(3) . . ?
Au07 Au0M Au0B 60.15(2) . . ?
Au07 Au0M Au0O 146.58(3) . . ?
Au07 Au0M Au0T 108.12(3) . . ?
Au0B Au0M Au05 107.11(3) . . ?
Au0B Au0M Au0O 149.66(3) . . ?
Au0N Au0M Au05 59.68(2) . . ?
Au0N Au0M Au07 63.95(2) . . ?
Au0N Au0M Au0B 111.17(3) . . ?
Au0N Au0M Au0O 84.61(3) . . ?
Au0N Au0M Au0T 108.62(3) . . ?
Au0T Au0M Au05 59.32(2) . . ?
Au0T Au0M Au0B 59.04(2) . . ?
Au0T Au0M Au0O 91.82(3) . . ?
Pd12 Au0M Au05 59.17(3) . . ?
Pd12 Au0M Au07 58.15(3) . . ?
Pd12 Au0M Au0B 58.08(3) . . ?
Pd12 Au0M Au0N 59.86(3) . . ?
Pd12 Au0M Au0O 116.50(3) . . ?
Pd12 Au0M Au0T 59.19(3) . . ?
Br18 Au0M Au05 113.74(4) . . ?
Br18 Au0M Au07 125.39(5) . . ?
Br18 Au0M Au0B 129.73(4) . . ?
Br18 Au0M Au0N 114.12(5) . . ?
Br18 Au0M Au0O 56.23(4) . . ?
Br18 Au0M Au0T 121.66(5) . . ?
Br18 Au0M Pd12 172.03(5) . . ?
Au05 Au0N Au07 106.50(3) . . ?
Au05 Au0N Au09 59.23(2) . . ?
Au05 Au0N Au0S 58.72(2) . . ?
Au06 Au0N Au05 108.08(3) . . ?
Au06 Au0N Au07 59.36(2) . . ?
Au06 Au0N Au09 143.49(3) . . ?
Au06 Au0N Au0M 107.18(3) . . ?
Au06 Au0N Au0S 61.66(2) . . ?
Au09 Au0N Au07 153.43(3) . . ?
Au0M Au0N Au05 61.17(2) . . ?
Au0M Au0N Au07 58.11(2) . . ?
Au0M Au0N Au09 95.98(3) . . ?
Au0M Au0N Au0S 108.12(3) . . ?
Au0S Au0N Au07 107.64(3) . . ?
Au0S Au0N Au09 84.70(3) . . ?
Pd12 Au0N Au05 59.22(3) . . ?
Pd12 Au0N Au06 57.62(3) . . ?
Pd12 Au0N Au07 55.73(3) . . ?
Pd12 Au0N Au09 118.18(3) . . ?
Pd12 Au0N Au0M 58.34(3) . . ?
Pd12 Au0N Au0S 59.08(3) . . ?
Br14 Au0N Au05 115.76(4) . . ?
Br14 Au0N Au06 122.75(5) . . ?
Br14 Au0N Au07 131.44(4) . . ?
Br14 Au0N Au09 56.53(4) . . ?
Br14 Au0N Au0M 125.28(5) . . ?
Br14 Au0N Au0S 114.02(4) . . ?
Br14 Au0N Pd12 172.64(5) . . ?
Au04 Au0O Au0M 150.63(3) . . ?
Au05 Au0O Au04 106.19(3) . . ?
Au05 Au0O Au09 60.26(2) . . ?
Au05 Au0O Au0M 59.97(2) . . ?
Au05 Au0O Au0X 59.68(2) . . ?
Au08 Au0O Au04 60.52(2) . . ?
Au08 Au0O Au05 108.98(3) . . ?
Au08 Au0O Au09 107.53(3) . . ?
Au08 Au0O Au0M 146.07(3) . . ?
Au08 Au0O Au0X 61.45(2) . . ?
Au09 Au0O Au04 57.60(2) . . ?
Au09 Au0O Au0M 94.41(3) . . ?
Au0X Au0O Au04 108.16(3) . . ?
Au0X Au0O Au09 107.82(3) . . ?
Au0X Au0O Au0M 87.63(3) . . ?
Pd11 Au0O Au04 56.36(3) . . ?
Pd11 Au0O Au05 59.48(3) . . ?
Pd11 Au0O Au08 57.78(3) . . ?
Pd11 Au0O Au09 58.53(3) . . ?
Pd11 Au0O Au0M 119.30(4) . . ?
Pd11 Au0O Au0X 58.57(3) . . ?
Br18 Au0O Au04 130.90(5) . . ?
Br18 Au0O Au05 115.06(4) . . ?
Br18 Au0O Au08 123.47(5) . . ?
Br18 Au0O Au09 124.23(5) . . ?
Br18 Au0O Au0M 55.09(4) . . ?
Br18 Au0O Au0X 114.95(5) . . ?
Br18 Au0O Pd11 172.72(5) . . ?
Au01 Au0P Au0F 106.65(2) . . ?
Au01 Au0P Au0P 59.029(16) . 2_654 ?
Au01 Au0P Au0R 58.809(19) . . ?
Au03 Au0P Au01 108.49(3) . . ?
Au03 Au0P Au0F 59.05(2) . . ?
Au03 Au0P Au0P 143.77(4) . 2_654 ?
Au03 Au0P Au0R 61.90(2) . . ?
Au03 Au0P Au0Z 107.20(3) . 2_654 ?
Au0P Au0P Au0F 153.47(4) 2_654 . ?
Au0R Au0P Au0F 107.48(3) . . ?
Au0R Au0P Au0P 84.79(3) . 2_654 ?
Au0Z Au0P Au01 60.919(19) 2_654 . ?
Au0Z Au0P Au0F 58.40(2) 2_654 . ?
Au0Z Au0P Au0P 95.73(3) 2_654 2_654 ?
Au0Z Au0P Au0R 107.84(3) 2_654 . ?
Pd10 Au0P Au01 59.34(3) . . ?
Pd10 Au0P Au03 57.81(3) . . ?
Pd10 Au0P Au0F 55.71(3) . . ?
Pd10 Au0P Au0P 118.10(3) . 2_654 ?
Pd10 Au0P Au0R 59.03(3) . . ?
Pd10 Au0P Au0Z 58.19(3) . 2_654 ?
Br13 Au0P Au01 115.58(3) . . ?
Br13 Au0P Au03 122.69(3) . . ?
Br13 Au0P Au0F 131.48(3) . . ?
Br13 Au0P Au0P 56.55(3) . 2_654 ?
Br13 Au0P Au0R 114.10(3) . . ?
Br13 Au0P Au0Z 125.32(3) . 2_654 ?
Br13 Au0P Pd10 172.64(4) . . ?
Au0E Au0Q Au0J 59.23(2) . . ?
Au0E Au0Q Au0V 109.69(3) . . ?
Au0G Au0Q Au0E 62.45(2) . . ?
Au0G Au0Q Au0J 108.30(3) . . ?
Au0G Au0Q Au0V 59.01(2) . . ?
Au0V Au0Q Au0J 107.99(3) . . ?
Au0W Au0Q Au0E 109.73(3) . . ?
Au0W Au0Q Au0G 108.73(3) . . ?
Au0W Au0Q Au0J 60.60(2) . . ?
Au0W Au0Q Au0V 60.63(3) . . ?
Pd10 Au0Q Au0E 58.29(3) . . ?
Pd10 Au0Q Au0G 58.43(3) . . ?
Pd10 Au0Q Au0J 57.21(3) . . ?
Pd10 Au0Q Au0V 59.67(3) . . ?
Pd10 Au0Q Au0W 60.50(3) . . ?
P01R Au0Q Au0E 122.33(17) . . ?
P01R Au0Q Au0G 123.19(15) . . ?
P01R Au0Q Au0J 121.55(17) . . ?
P01R Au0Q Au0V 120.67(17) . . ?
P01R Au0Q Au0W 118.09(15) . . ?
P01R Au0Q Pd10 178.36(15) . . ?
Au01 Au0R Au03 106.44(3) . . ?
Au01 Au0R Au0J 109.28(3) . . ?
Au01 Au0R Au0P 60.34(2) . . ?
Au01 Au0R Au0W 59.96(3) . . ?
Au01 Au0R Au0Z 59.675(19) . . ?
Au03 Au0R Au0Z 150.53(3) . . ?
Au0J Au0R Au03 60.48(2) . . ?
Au0J Au0R Au0P 107.79(3) . . ?
Au0J Au0R Au0W 61.41(2) . . ?
Au0J Au0R Au0Z 146.23(3) . . ?
Au0P Au0R Au03 57.80(2) . . ?
Au0P Au0R Au0Z 94.10(3) . . ?
Au0W Au0R Au03 108.18(3) . . ?
Au0W Au0R Au0P 108.13(3) . . ?
Au0W Au0R Au0Z 87.78(3) . . ?
Pd10 Au0R Au01 59.80(3) . . ?
Pd10 Au0R Au03 56.37(3) . . ?
Pd10 Au0R Au0J 57.75(3) . . ?
Pd10 Au0R Au0P 58.83(3) . . ?
Pd10 Au0R Au0W 58.63(3) . . ?
Pd10 Au0R Au0Z 119.33(4) . . ?
Br1A Au0R Au01 114.57(4) . . ?
Br1A Au0R Au03 130.98(5) . . ?
Br1A Au0R Au0J 123.68(5) . . ?
Br1A Au0R Au0P 123.79(5) . . ?
Br1A Au0R Au0W 114.91(5) . . ?
Br1A Au0R Au0Z 54.91(4) . . ?
Br1A Au0R Pd10 172.64(5) . . ?
Au05 Au0S Au06 105.93(3) . . ?
Au05 Au0S Au0A 109.05(3) . . ?
Au05 Au0S Au0I 60.06(2) . . ?
Au05 Au0S Au0L 60.05(2) . . ?
Au05 Au0S Au0N 60.04(2) . . ?
Au06 Au0S Au0I 150.46(3) . . ?
Au0A Au0S Au06 60.60(2) . . ?
Au0A Au0S Au0I 146.16(3) . . ?
Au0A Au0S Au0L 61.19(2) . . ?
Au0A Au0S Au0N 107.76(3) . . ?
Au0L Au0S Au06 107.94(3) . . ?
Au0L Au0S Au0I 87.97(3) . . ?
Au0L Au0S Au0N 108.00(3) . . ?
Au0N Au0S Au06 57.64(2) . . ?
Au0N Au0S Au0I 94.18(3) . . ?
Pd12 Au0S Au05 59.53(3) . . ?
Pd12 Au0S Au06 56.14(3) . . ?
Pd12 Au0S Au0A 57.78(3) . . ?
Pd12 Au0S Au0I 119.44(4) . . ?
Pd12 Au0S Au0L 58.62(3) . . ?
Pd12 Au0S Au0N 58.64(3) . . ?
Br19 Au0S Au05 114.99(5) . . ?
Br19 Au0S Au06 131.09(5) . . ?
Br19 Au0S Au0A 123.54(5) . . ?
Br19 Au0S Au0I 54.93(4) . . ?
Br19 Au0S Au0L 114.99(5) . . ?
Br19 Au0S Au0N 124.00(5) . . ?
Br19 Au0S Pd12 172.75(5) . . ?
Au05 Au0T Au0K 105.98(3) . . ?
Au05 Au0T Au0L 59.31(2) . . ?
Au05 Au0T Au0M 60.65(2) . . ?
Au05 Au0T Au0X 58.44(2) . . ?
Au0B Au0T Au05 109.45(3) . . ?
Au0B Au0T Au0K 60.69(2) . . ?
Au0B Au0T Au0L 108.19(3) . . ?
Au0B Au0T Au0M 60.62(2) . . ?
Au0B Au0T Au0X 146.02(3) . . ?
Au0K Au0T Au0L 58.19(2) . . ?
Au0K Au0T Au0X 149.71(3) . . ?
Au0L Au0T Au0X 92.63(3) . . ?
Au0M Au0T Au0K 107.39(3) . . ?
Au0M Au0T Au0L 107.56(3) . . ?
Au0M Au0T Au0X 87.95(3) . . ?
Pd12 Au0T Au05 59.25(3) . . ?
Pd12 Au0T Au0B 58.24(3) . . ?
Pd12 Au0T Au0K 56.61(3) . . ?
Pd12 Au0T Au0L 58.58(3) . . ?
Pd12 Au0T Au0M 57.95(3) . . ?
Pd12 Au0T Au0X 117.54(3) . . ?
Br16 Au0T Au05 114.16(4) . . ?
Br16 Au0T Au0B 125.93(5) . . ?
Br16 Au0T Au0K 129.64(5) . . ?
Br16 Au0T Au0L 120.79(5) . . ?
Br16 Au0T Au0M 118.10(5) . . ?
Br16 Au0T Au0X 55.78(4) . . ?
Br16 Au0T Pd12 173.16(5) . . ?
Au0C Au0U Au08 108.59(3) . . ?
Au0C Au0U Au0H 62.49(2) . . ?
Au0C Au0U Au0Y 59.02(2) . . ?
Au0H Au0U Au08 59.32(2) . . ?
Au0X Au0U Au08 60.44(2) . . ?
Au0X Au0U Au0C 109.16(3) . . ?
Au0X Au0U Au0H 109.70(3) . . ?
Au0X Au0U Au0Y 61.08(2) . . ?
Au0Y Au0U Au08 108.27(3) . . ?
Au0Y Au0U Au0H 109.71(3) . . ?
Pd11 Au0U Au08 57.18(3) . . ?
Pd11 Au0U Au0C 58.70(3) . . ?
Pd11 Au0U Au0H 58.09(3) . . ?
Pd11 Au0U Au0X 60.71(3) . . ?
Pd11 Au0U Au0Y 60.02(3) . . ?
P01O Au0U Au08 121.28(15) . . ?
P01O Au0U Au0C 123.18(14) . . ?
P01O Au0U Au0H 122.44(15) . . ?
P01O Au0U Au0X 117.78(14) . . ?
P01O Au0U Au0Y 120.56(16) . . ?
P01O Au0U Pd11 178.12(15) . . ?
Au01 Au0V Au0Q 106.12(3) . . ?
Au01 Au0V Au0W 58.530(19) . 2_654 ?
Au01 Au0V Au0W 59.44(2) . . ?
Au01 Au0V Au0Z 60.48(2) . 2_654 ?
Au0G Au0V Au01 109.30(3) . . ?
Au0G Au0V Au0Q 60.34(2) . . ?
Au0G Au0V Au0W 146.09(3) . 2_654 ?
Au0G Au0V Au0W 107.88(3) . . ?
Au0G Au0V Au0Z 60.56(2) . 2_654 ?
Au0Q Au0V Au0W 150.00(3) . 2_654 ?
Au0W Au0V Au0Q 58.26(2) . . ?
Au0W Au0V Au0W 92.85(3) . 2_654 ?
Au0Z Au0V Au0Q 107.04(3) 2_654 . ?
Au0Z Au0V Au0W 107.31(3) 2_654 . ?
Au0Z Au0V Au0W 88.10(3) 2_654 2_654 ?
Pd10 Au0V Au01 59.39(3) . . ?
Pd10 Au0V Au0G 57.92(3) . . ?
Pd10 Au0V Au0Q 56.52(3) . . ?
Pd10 Au0V Au0W 58.60(3) . . ?
Pd10 Au0V Au0W 117.76(3) . 2_654 ?
Pd10 Au0V Au0Z 57.67(3) . 2_654 ?
Br17 Au0V Au01 114.00(4) 2_654 . ?
Br17 Au0V Au0G 126.22(5) 2_654 . ?
Br17 Au0V Au0Q 129.80(5) 2_654 . ?
Br17 Au0V Au0W 55.53(4) 2_654 2_654 ?
Br17 Au0V Au0W 120.83(5) 2_654 . ?
Br17 Au0V Au0Z 118.29(5) 2_654 2_654 ?
Br17 Au0V Pd10 173.12(5) 2_654 . ?
Au01 Au0W Au0J 106.17(3) . . ?
Au01 Au0W Au0R 59.01(2) . . ?
Au01 Au0W Au0V 58.90(2) . 2_654 ?
Au01 Au0W Au0V 59.83(2) . . ?
Au0J Au0W Au0V 149.14(3) . 2_654 ?
Au0Q Au0W Au01 108.69(3) . . ?
Au0Q Au0W Au0J 62.09(2) . . ?
Au0Q Au0W Au0R 108.97(3) . . ?
Au0Q Au0W Au0V 61.10(3) . . ?
Au0Q Au0W Au0V 145.49(4) . 2_654 ?
Au0R Au0W Au0J 58.47(2) . . ?
Au0R Au0W Au0V 107.74(3) . . ?
Au0R Au0W Au0V 92.11(3) . 2_654 ?
Au0V Au0W Au0J 109.50(3) . . ?
Au0V Au0W Au0V 86.93(3) . 2_654 ?
Pd10 Au0W Au01 59.64(3) . . ?
Pd10 Au0W Au0J 56.91(3) . . ?
Pd10 Au0W Au0Q 57.58(3) . . ?
Pd10 Au0W Au0R 59.14(3) . . ?
Pd10 Au0W Au0V 118.40(4) . 2_654 ?
Pd10 Au0W Au0V 58.95(3) . . ?
Br17 Au0W Au01 115.66(5) . . ?
Br17 Au0W Au0J 130.58(5) . . ?
Br17 Au0W Au0Q 122.07(5) . . ?
Br17 Au0W Au0R 124.99(5) . . ?
Br17 Au0W Au0V 113.58(5) . . ?
Br17 Au0W Au0V 56.81(4) . 2_654 ?
Br17 Au0W Pd10 172.24(6) . . ?
Au05 Au0X Au08 106.02(3) . . ?
Au05 Au0X Au0O 59.19(2) . . ?
Au05 Au0X Au0T 59.16(2) . . ?
Au05 Au0X Au0Y 59.74(2) . . ?
Au08 Au0X Au0T 149.00(3) . . ?
Au0O Au0X Au08 58.24(2) . . ?
Au0O Au0X Au0T 92.23(3) . . ?
Au0O Au0X Au0Y 107.90(3) . . ?
Au0U Au0X Au05 108.28(3) . . ?
Au0U Au0X Au08 62.39(2) . . ?
Au0U Au0X Au0O 108.97(3) . . ?
Au0U Au0X Au0T 145.33(3) . . ?
Au0U Au0X Au0Y 60.79(2) . . ?
Au0Y Au0X Au08 109.56(3) . . ?
Au0Y Au0X Au0T 87.07(3) . . ?
Pd11 Au0X Au05 59.56(3) . . ?
Pd11 Au0X Au08 56.92(3) . . ?
Pd11 Au0X Au0O 59.31(3) . . ?
Pd11 Au0X Au0T 118.58(4) . . ?
Pd11 Au0X Au0U 57.35(3) . . ?
Pd11 Au0X Au0Y 58.89(3) . . ?
Br16 Au0X Au05 115.67(5) . . ?
Br16 Au0X Au08 130.60(5) . . ?
Br16 Au0X Au0O 124.78(5) . . ?
Br16 Au0X Au0T 56.56(4) . . ?
Br16 Au0X Au0U 122.34(5) . . ?
Br16 Au0X Au0Y 113.65(5) . . ?
Br16 Au0X Pd11 172.23(6) . . ?
Au05 Au0Y Au0I 60.72(2) . . ?
Au05 Au0Y Au0L 58.75(2) . . ?
Au05 Au0Y Au0U 105.62(3) . . ?
Au05 Au0Y Au0X 59.07(2) . . ?
Au0C Au0Y Au05 109.26(3) . . ?
Au0C Au0Y Au0I 60.42(2) . . ?
Au0C Au0Y Au0L 146.21(3) . . ?
Au0C Au0Y Au0U 60.47(2) . . ?
Au0C Au0Y Au0X 107.93(3) . . ?
Au0I Au0Y Au0L 88.35(3) . . ?
Au0I Au0Y Au0U 106.91(3) . . ?
Au0I Au0Y Au0X 107.28(3) . . ?
Au0U Au0Y Au0L 149.70(3) . . ?
Au0U Au0Y Au0X 58.13(2) . . ?
Au0X Au0Y Au0L 92.68(3) . . ?
Pd11 Au0Y Au05 59.16(3) . . ?
Pd11 Au0Y Au0C 58.05(3) . . ?
Pd11 Au0Y Au0I 57.77(3) . . ?
Pd11 Au0Y Au0L 117.76(3) . . ?
Pd11 Au0Y Au0U 56.30(3) . . ?
Pd11 Au0Y Au0X 58.42(3) . . ?
Br15 Au0Y Au05 114.37(4) . . ?
Br15 Au0Y Au0C 126.07(5) . . ?
Br15 Au0Y Au0I 118.39(5) . . ?
Br15 Au0Y Au0L 55.67(4) . . ?
Br15 Au0Y Au0U 129.82(5) . . ?
Br15 Au0Y Au0X 120.91(5) . . ?
Br15 Au0Y Pd11 173.29(5) . . ?
Au01 Au0Z Au0R 57.353(19) . . ?
Au0F Au0Z Au01 110.15(3) 2_654 . ?
Au0F Au0Z Au0G 60.14(2) 2_654 2_654 ?
Au0F Au0Z Au0R 146.73(3) 2_654 . ?
Au0F Au0Z Au0V 108.34(3) 2_654 2_654 ?
Au0G Au0Z Au01 107.33(3) 2_654 . ?
Au0G Au0Z Au0R 149.60(3) 2_654 . ?
Au0P Au0Z Au01 60.00(2) 2_654 . ?
Au0P Au0Z Au0F 63.83(2) 2_654 2_654 ?
Au0P Au0Z Au0G 111.15(3) 2_654 2_654 ?
Au0P Au0Z Au0R 84.87(3) 2_654 . ?
Au0P Au0Z Au0V 108.90(3) 2_654 2_654 ?
Au0V Au0Z Au01 59.38(2) 2_654 . ?
Au0V Au0Z Au0G 59.19(2) 2_654 2_654 ?
Au0V Au0Z Au0R 91.63(3) 2_654 . ?
Pd10 Au0Z Au01 59.56(3) 2_654 . ?
Pd10 Au0Z Au0F 58.07(3) 2_654 2_654 ?
Pd10 Au0Z Au0G 57.99(3) 2_654 2_654 ?
Pd10 Au0Z Au0P 59.97(3) 2_654 2_654 ?
Pd10 Au0Z Au0R 116.74(3) 2_654 . ?
Pd10 Au0Z Au0V 59.44(3) 2_654 2_654 ?
Br1A Au0Z Au01 113.26(4) . . ?
Br1A Au0Z Au0F 125.55(5) . 2_654 ?
Br1A Au0Z Au0G 129.86(5) . 2_654 ?
Br1A Au0Z Au0P 114.02(5) . 2_654 ?
Br1A Au0Z Au0R 55.92(4) . . ?
Br1A Au0Z Au0V 121.34(5) . 2_654 ?
Br1A Au0Z Pd10 171.97(5) . 2_654 ?
Au03 Pd10 Au01 113.53(4) . . ?
Au03 Pd10 Au0E 66.60(3) . . ?
Au03 Pd10 Au0F 64.01(3) . . ?
Au03 Pd10 Au0G 120.35(4) . . ?
Au03 Pd10 Au0J 64.69(3) . . ?
Au03 Pd10 Au0P 61.44(3) . . ?
Au03 Pd10 Au0R 64.27(3) . . ?
Au03 Pd10 Au0V 174.57(5) . . ?
Au03 Pd10 Au0W 118.07(5) . . ?
Au03 Pd10 Au0Z 113.28(4) . 2_654 ?
Au0E Pd10 Au01 177.42(5) . . ?
Au0E Pd10 Au0G 66.68(3) . . ?
Au0E Pd10 Au0P 119.80(4) . . ?
Au0E Pd10 Au0R 117.88(5) . . ?
Au0E Pd10 Au0V 118.40(4) . . ?
Au0E Pd10 Au0W 116.11(4) . . ?
Au0E Pd10 Au0Z 119.48(4) . 2_654 ?
Au0F Pd10 Au01 117.46(4) . . ?
Au0F Pd10 Au0E 65.03(3) . . ?
Au0F Pd10 Au0G 63.84(3) . . ?
Au0F Pd10 Au0P 66.33(3) . . ?
Au0F Pd10 Au0R 119.15(4) . . ?
Au0F Pd10 Au0V 115.42(5) . . ?
Au0F Pd10 Au0W 177.83(5) . . ?
Au0F Pd10 Au0Z 63.22(3) . 2_654 ?
Au0G Pd10 Au01 114.78(4) . . ?
Au0G Pd10 Au0P 117.84(4) . . ?
Au0G Pd10 Au0R 175.10(5) . . ?
Au0G Pd10 Au0V 62.20(3) . . ?
Au0G Pd10 Au0W 114.66(4) . . ?
Au0G Pd10 Au0Z 63.85(3) . 2_654 ?
Au0J Pd10 Au01 113.37(4) . . ?
Au0J Pd10 Au0E 64.22(3) . . ?
Au0J Pd10 Au0F 117.96(4) . . ?
Au0J Pd10 Au0G 120.96(4) . . ?
Au0J Pd10 Au0P 113.94(4) . . ?
Au0J Pd10 Au0R 61.80(3) . . ?
Au0J Pd10 Au0V 118.79(4) . . ?
Au0J Pd10 Au0W 64.09(3) . . ?
Au0J Pd10 Au0Z 175.19(5) . 2_654 ?
Au0P Pd10 Au01 61.72(3) . . ?
Au0P Pd10 Au0R 62.14(3) . . ?
Au0P Pd10 Au0V 113.20(4) . . ?
Au0Q Pd10 Au01 113.83(4) . . ?
Au0Q Pd10 Au03 121.48(5) . . ?
Au0Q Pd10 Au0E 64.60(3) . . ?
Au0Q Pd10 Au0F 117.85(4) . . ?
Au0Q Pd10 Au0G 64.37(3) . . ?
Au0Q Pd10 Au0J 66.26(3) . . ?
Au0Q Pd10 Au0P 175.44(5) . . ?
Au0Q Pd10 Au0R 115.28(4) . . ?
Au0Q Pd10 Au0V 63.81(3) . . ?
Au0Q Pd10 Au0W 61.91(3) . . ?
Au0Q Pd10 Au0Z 117.73(5) . 2_654 ?
Au0R Pd10 Au01 60.59(3) . . ?
Au0V Pd10 Au01 61.58(3) . . ?
Au0V Pd10 Au0R 113.05(4) . . ?
Au0W Pd10 Au01 61.43(3) . . ?
Au0W Pd10 Au0P 113.83(4) . . ?
Au0W Pd10 Au0R 62.23(3) . . ?
Au0W Pd10 Au0V 62.45(3) . . ?
Au0Z Pd10 Au01 62.98(3) 2_654 . ?
Au0Z Pd10 Au0P 61.85(3) 2_654 . ?
Au0Z Pd10 Au0R 113.42(4) 2_654 . ?
Au0Z Pd10 Au0V 62.89(3) 2_654 . ?
Au0Z Pd10 Au0W 114.81(4) 2_654 . ?
Au02 Pd11 Au05 117.57(4) . . ?
Au02 Pd11 Au09 66.40(3) . . ?
Au02 Pd11 Au0C 63.69(3) . . ?
Au02 Pd11 Au0I 63.11(3) . . ?
Au02 Pd11 Au0O 119.30(4) . . ?
Au02 Pd11 Au0X 177.74(5) . . ?
Au02 Pd11 Au0Y 115.10(4) . . ?
Au04 Pd11 Au02 64.26(3) . . ?
Au04 Pd11 Au05 113.47(4) . . ?
Au04 Pd11 Au08 64.56(3) . . ?
Au04 Pd11 Au09 61.29(3) . . ?
Au04 Pd11 Au0C 120.57(4) . . ?
Au04 Pd11 Au0H 66.70(3) . . ?
Au04 Pd11 Au0I 113.44(4) . . ?
Au04 Pd11 Au0O 64.09(3) . . ?
Au04 Pd11 Au0X 117.89(4) . . ?
Au04 Pd11 Au0Y 174.46(5) . . ?
Au05 Pd11 Au0O 60.66(3) . . ?
Au05 Pd11 Au0Y 61.56(3) . . ?
Au08 Pd11 Au02 118.14(4) . . ?
Au08 Pd11 Au05 113.06(4) . . ?
Au08 Pd11 Au09 113.61(4) . . ?
Au08 Pd11 Au0C 121.43(4) . . ?
Au08 Pd11 Au0I 175.12(5) . . ?
Au08 Pd11 Au0O 61.42(3) . . ?
Au08 Pd11 Au0X 63.98(3) . . ?
Au08 Pd11 Au0Y 119.02(4) . . ?
Au09 Pd11 Au05 61.90(3) . . ?
Au09 Pd11 Au0O 62.17(3) . . ?
Au09 Pd11 Au0X 113.75(4) . . ?
Au09 Pd11 Au0Y 113.23(4) . . ?
Au0C Pd11 Au05 114.61(4) . . ?
Au0C Pd11 Au09 117.75(4) . . ?
Au0C Pd11 Au0I 63.45(3) . . ?
Au0C Pd11 Au0O 175.02(5) . . ?
Au0C Pd11 Au0X 114.77(4) . . ?
Au0C Pd11 Au0Y 61.96(3) . . ?
Au0H Pd11 Au02 64.90(3) . . ?
Au0H Pd11 Au05 177.46(5) . . ?
Au0H Pd11 Au08 64.59(3) . . ?
Au0H Pd11 Au09 119.64(4) . . ?
Au0H Pd11 Au0C 66.77(3) . . ?
Au0H Pd11 Au0I 119.20(4) . . ?
Au0H Pd11 Au0O 117.88(5) . . ?
Au0H Pd11 Au0X 116.30(4) . . ?
Au0H Pd11 Au0Y 118.38(4) . . ?
Au0I Pd11 Au05 63.20(3) . . ?
Au0I Pd11 Au09 62.14(3) . . ?
Au0I Pd11 Au0O 113.73(4) . . ?
Au0I Pd11 Au0X 114.84(4) . . ?
Au0I Pd11 Au0Y 62.63(3) . . ?
Au0U Pd11 Au02 117.82(4) . . ?
Au0U Pd11 Au04 121.73(5) . . ?
Au0U Pd11 Au05 113.56(4) . . ?
Au0U Pd11 Au08 66.66(3) . . ?
Au0U Pd11 Au09 175.36(5) . . ?
Au0U Pd11 Au0C 64.42(3) . . ?
Au0U Pd11 Au0H 64.86(3) . . ?
Au0U Pd11 Au0I 117.37(4) . . ?
Au0U Pd11 Au0O 115.27(4) . . ?
Au0U Pd11 Au0X 61.95(3) . . ?
Au0U Pd11 Au0Y 63.68(3) . . ?
Au0X Pd11 Au05 61.26(3) . . ?
Au0X Pd11 Au0O 62.11(3) . . ?
Au0X Pd11 Au0Y 62.69(3) . . ?
Au0Y Pd11 Au0O 113.23(4) . . ?
Au05 Pd12 Au0S 60.53(3) . . ?
Au06 Pd12 Au05 113.25(4) . . ?
Au06 Pd12 Au07 64.39(3) . . ?
Au06 Pd12 Au0A 64.77(3) . . ?
Au06 Pd12 Au0B 120.51(4) . . ?
Au06 Pd12 Au0D 66.88(3) . . ?
Au06 Pd12 Au0K 121.56(5) . . ?
Au06 Pd12 Au0L 117.75(4) . . ?
Au06 Pd12 Au0M 113.22(4) . . ?
Au06 Pd12 Au0N 61.40(3) . . ?
Au06 Pd12 Au0S 64.10(3) . . ?
Au06 Pd12 Au0T 174.48(5) . . ?
Au07 Pd12 Au05 117.26(4) . . ?
Au07 Pd12 Au0A 118.44(5) . . ?
Au07 Pd12 Au0B 63.59(3) . . ?
Au07 Pd12 Au0D 65.22(3) . . ?
Au07 Pd12 Au0L 177.74(5) . . ?
Au07 Pd12 Au0M 62.80(3) . . ?
Au07 Pd12 Au0N 66.30(3) . . ?
Au07 Pd12 Au0S 119.35(4) . . ?
Au07 Pd12 Au0T 114.97(4) . . ?
Au0A Pd12 Au05 113.11(4) . . ?
Au0A Pd12 Au0B 121.23(4) . . ?
Au0A Pd12 Au0L 63.71(3) . . ?
Au0A Pd12 Au0M 175.15(5) . . ?
Au0A Pd12 Au0N 113.97(4) . . ?
Au0A Pd12 Au0S 61.57(3) . . ?
Au0A Pd12 Au0T 118.79(4) . . ?
Au0B Pd12 Au05 114.80(5) . . ?
Au0B Pd12 Au0L 114.89(4) . . ?
Au0B Pd12 Au0M 63.62(3) . . ?
Au0B Pd12 Au0N 117.65(4) . . ?
Au0B Pd12 Au0S 175.08(5) . . ?
Au0B Pd12 Au0T 62.03(3) . . ?
Au0D Pd12 Au05 177.43(5) . . ?
Au0D Pd12 Au0A 64.50(3) . . ?
Au0D Pd12 Au0B 66.64(3) . . ?
Au0D Pd12 Au0L 116.01(4) . . ?
Au0D Pd12 Au0M 119.27(4) . . ?
Au0D Pd12 Au0N 119.91(4) . . ?
Au0D Pd12 Au0S 117.95(5) . . ?
Au0D Pd12 Au0T 118.18(4) . . ?
Au0K Pd12 Au05 113.90(4) . . ?
Au0K Pd12 Au07 117.89(4) . . ?
Au0K Pd12 Au0A 66.26(3) . . ?
Au0K Pd12 Au0B 64.53(3) . . ?
Au0K Pd12 Au0D 64.53(3) . . ?
Au0K Pd12 Au0L 61.92(3) . . ?
Au0K Pd12 Au0M 117.75(4) . . ?
Au0K Pd12 Au0N 175.41(5) . . ?
Au0K Pd12 Au0S 115.17(4) . . ?
Au0K Pd12 Au0T 63.83(3) . . ?
Au0L Pd12 Au05 61.54(3) . . ?
Au0L Pd12 Au0N 113.81(4) . . ?
Au0L Pd12 Au0S 62.03(3) . . ?
Au0L Pd12 Au0T 62.82(3) . . ?
Au0M Pd12 Au05 63.18(3) . . ?
Au0M Pd12 Au0L 115.13(4) . . ?
Au0M Pd12 Au0N 61.80(3) . . ?
Au0M Pd12 Au0S 113.60(4) . . ?
Au0M Pd12 Au0T 62.86(3) . . ?
Au0N Pd12 Au05 61.61(3) . . ?
Au0N Pd12 Au0S 62.28(3) . . ?
Au0T Pd12 Au05 61.80(3) . . ?
Au0T Pd12 Au0N 113.14(4) . . ?
Au0T Pd12 Au0S 113.22(4) . . ?
Au0P Br13 Au0P 66.89(5) 2_654 . ?
Au09 Br14 Au0N 66.75(4) . . ?
Au0L Br15 Au0Y 67.35(4) . . ?
Au0X Br16 Au0T 67.66(4) . . ?
Au0W Br17 Au0V 67.66(4) . 2_654 ?
Au0M Br18 Au0O 68.67(4) . . ?
Au0I Br19 Au0S 68.74(4) . . ?
Au0Z Br1A Au0R 69.18(5) . . ?
C027 P01E Au0F 111.4(4) . . ?
C027 P01E C02N 110.0(6) . . ?
C02N P01E Au0F 113.6(4) . . ?
C02T P01E Au0F 117.5(4) . . ?
C02T P01E C027 102.9(6) . . ?
C02T P01E C02N 100.4(6) . . ?
C02C P01F Au02 111.1(4) . . ?
C02C P01F C02G 109.3(6) . . ?
C02G P01F Au02 113.8(4) . . ?
C03J P01F Au02 117.4(4) . . ?
C03J P01F C02C 103.4(6) . . ?
C03J P01F C02G 100.8(6) . . ?
C02E P01G Au0C 113.1(5) . . ?
C02E P01G C042 100.8(8) . . ?
C02E P01G C04G 105.1(7) . . ?
C042 P01G Au0C 114.8(5) . . ?
C042 P01G C04G 107.1(7) . . ?
C04G P01G Au0C 114.7(4) . . ?
C02J P01H Au06 114.8(4) . . ?
C04B P01H Au06 114.8(5) . . ?
C04B P01H C02J 99.4(6) . . ?
C04B P01H C059 107.1(6) . . ?
C059 P01H Au06 112.7(4) . . ?
C059 P01H C02J 106.9(6) . . ?
C03A P01I Au03 115.0(5) . . ?
C03A P01I C03M 107.6(6) . . ?
C03A P01I C028 98.8(6) . . ?
C03M P01I Au03 112.0(4) . . ?
C028 P01I Au03 114.8(4) . . ?
C028 P01I C03M 107.5(6) . . ?
C032 P01J Au04 114.1(4) . . ?
C034 P01J Au04 114.8(4) . . ?
C034 P01J C032 100.8(6) . . ?
C034 P01J C03B 106.2(6) . . ?
C03B P01J Au04 113.3(4) . . ?
C03B P01J C032 106.5(6) . . ?
C02P P01K Au0B 112.8(5) . . ?
C02P P01K C06P 100.7(8) . . ?
C03Z P01K Au0B 115.2(5) . . ?
C03Z P01K C02P 105.9(7) . . ?
C03Z P01K C06P 106.1(7) . . ?
C06P P01K Au0B 114.8(5) . . ?
C03F P01L Au0A 116.3(4) . . ?
C03F P01L C04D 104.5(6) . . ?
C04D P01L Au0A 112.8(5) . . ?
C05F P01L Au0A 114.5(6) . . ?
C05F P01L C03F 105.2(7) . . ?
C05F P01L C04D 102.0(9) . . ?
C04S P01M Au0G 114.9(5) . . ?
C03U P01M Au0G 113.5(5) . . ?
C03U P01M C04S 106.1(7) . . ?
C07B P01M Au0G 113.9(5) . . ?
C07B P01M C04S 106.6(7) . . ?
C07B P01M C03U 100.7(8) . . ?
C02H P01N Au07 111.6(4) . . ?
C02Z P01N Au07 112.6(4) . . ?
C02Z P01N C02H 109.5(6) . . ?
C03K P01N Au07 118.2(5) . . ?
C03K P01N C02H 103.6(6) . . ?
C03K P01N C02Z 100.4(6) . . ?
C05H P01O Au0U 116.9(6) . . ?
C05H P01O C3BA 120.2(14) . . ?
C186 P01O Au0U 111.0(6) . . ?
C186 P01O C05H 103.3(8) . . ?
C186 P01O C3BA 88.4(8) . . ?
C07F P01O Au0U 114.4(6) . . ?
C07F P01O C05H 100.0(7) . . ?
C07F P01O C186 110.2(9) . . ?
C3BA P01O Au0U 112.2(11) . . ?
C051 P01P Au0K 112.2(6) . . ?
C051 P01P C06C 107.6(9) . . ?
C051 P01P C04J 102.8(9) . . ?
C06C P01P Au0K 115.0(6) . . ?
C06C P01P C04J 103.1(9) . . ?
C04J P01P Au0K 114.9(6) . . ?
C03P P01Q Au08 113.3(5) . . ?
C03W P01Q Au08 113.9(5) . . ?
C03W P01Q C03P 101.7(7) . . ?
C06X P01Q Au08 116.2(4) . . ?
C06X P01Q C03P 104.1(6) . . ?
C06X P01Q C03W 106.3(6) . . ?
C04Y P01R Au0Q 115.0(6) . . ?
C04Y P01R C065 104.4(9) . . ?
C065 P01R Au0Q 115.2(7) . . ?
C06T P01R Au0Q 110.4(6) . . ?
C06T P01R C04Y 107.0(9) . . ?
C06T P01R C065 103.8(9) . . ?
C048 P01S Au0J 116.4(4) . . ?
C048 P01S C05Q 105.6(6) . . ?
C04K P01S Au0J 113.8(5) . . ?
C04K P01S C048 104.9(6) . . ?
C04K P01S C05Q 102.0(7) . . ?
C05Q P01S Au0J 112.9(5) . . ?
C02W C027 P01E 117.2(6) . . ?
C02W C027 C04A 120.0 . . ?
C04A C027 P01E 122.7(6) . . ?
C04E C02W C027 120.0 . . ?
C02W C04E C05P 120.0 . . ?
F025 C05P C04E 121.7(11) . . ?
F025 C05P C078 118.2(11) . . ?
C04E C05P C078 120.0 . . ?
C04A C078 C05P 120.0 . . ?
C078 C04A C027 120.0 . . ?
C02F C02C P01F 118.1(6) . . ?
C02F C02C C05A 120.0 . . ?
C05A C02C P01F 121.9(6) . . ?
C033 C02F C02C 120.0 . . ?
C02F C033 C06L 120.0 . . ?
F022 C06L C033 120.3(11) . . ?
F022 C06L C05Y 119.6(11) . . ?
C05Y C06L C033 120.0 . . ?
C05A C05Y C06L 120.0 . . ?
C05Y C05A C02C 120.0 . . ?
C4AA C02E P01G 124.6(9) . . ?
C4AA C02E C04T 120.0 . . ?
C04T C02E P01G 115.0(9) . . ?
C116 C4AA C02E 120.0 . . ?
C4AA C116 C76 120.0 . . ?
C116 C76 C0AA 120.0 . . ?
F4 C76 C116 120.0(14) . . ?
F4 C76 C0AA 120.0(14) . . ?
C04T C0AA C76 120.0 . . ?
C0AA C04T C02E 120.0 . . ?
C06F C02G P01F 123.2(6) . . ?
C06F C02G C038 120.0 . . ?
C038 C02G P01F 116.5(6) . . ?
C02G C06F C07Q 120.0 . . ?
C06F C07Q C05W 120.0 . . ?
F01W C05W C07Q 120.5(10) . . ?
F01W C05W C044 119.4(10) . . ?
C044 C05W C07Q 120.0 . . ?
C05W C044 C038 120.0 . . ?
C044 C038 C02G 120.0 . . ?
C05U C02H P01N 122.1(7) . . ?
C05U C02H C03G 120.0 . . ?
C03G C02H P01N 117.9(7) . . ?
C40 C05U C02H 120.0 . . ?
C080 C40 C05U 120.0 . . ?
C40 C080 C04O 120.0 . . ?
F02K C080 C40 119.6(11) . . ?
F02K C080 C04O 120.3(11) . . ?
C03G C04O C080 120.0 . . ?
C04O C03G C02H 120.0 . . ?
C02M C02N P01E 116.5(7) . . ?
C02M C02N C06V 120.0 . . ?
C06V C02N P01E 123.1(7) . . ?
C03D C02M C02N 120.0 . . ?
C055 C03D C02M 120.0 . . ?
F021 C055 C03D 122.9(10) . . ?
F021 C055 C06I 117.1(10) . . ?
C03D C055 C06I 120.0 . . ?
C06V C06I C055 120.0 . . ?
C06I C06V C02N 120.0 . . ?
C05T C02P P01K 116.7(9) . . ?
C05T C02P C36 120.0 . . ?
C36 C02P P01K 123.1(9) . . ?
C02P C05T C129 120.0 . . ?
C83 C129 C05T 120.0 . . ?
C129 C83 C95 120.0 . . ?
F0AA C83 C129 119.8(14) . . ?
F0AA C83 C95 120.1(14) . . ?
C83 C95 C36 120.0 . . ?
C02P C36 C95 120.0 . . ?
C03L C02T P01E 120.4(7) . . ?
C03L C02T C04N 120.0 . . ?
C04N C02T P01E 119.5(7) . . ?
C02T C03L C07G 120.0 . . ?
C04M C07G C03L 120.0 . . ?
F01Y C04M C07G 118.8(11) . . ?
F01Y C04M C07C 121.2(11) . . ?
C07G C04M C07C 120.0 . . ?
C04N C07C C04M 120.0 . . ?
C07C C04N C02T 120.0 . . ?
C073 C02Z P01N 122.7(7) . . ?
C073 C02Z C043 120.0 . . ?
C043 C02Z P01N 116.7(7) . . ?
C02Z C073 C105 120.0 . . ?
C069 C105 C073 120.0 . . ?
F01Z C069 C105 119.2(11) . . ?
F01Z C069 C03Q 120.8(11) . . ?
C105 C069 C03Q 120.0 . . ?
C043 C03Q C069 120.0 . . ?
C03Q C043 C02Z 120.0 . . ?
C04C C032 P01J 116.7(7) . . ?
C04C C032 C05D 120.0 . . ?
C05D C032 P01J 122.8(7) . . ?
C032 C04C C05E 120.0 . . ?
C04C C05E C05O 120.0 . . ?
F024 C05O C05E 119.4(11) . . ?
F024 C05O C07M 120.6(11) . . ?
C05E C05O C07M 120.0 . . ?
C05D C07M C05O 120.0 . . ?
C07M C05D C032 120.0 . . ?
C02Y C034 P01J 119.3(6) . . ?
C02Y C034 C04Q 120.0 . . ?
C04Q C034 P01J 120.7(6) . . ?
C03X C02Y C034 120.0 . . ?
C02Y C03X C07L 120.0 . . ?
F02Q C07L C03X 118.5(11) . . ?
F02Q C07L C06Y 121.5(11) . . ?
C03X C07L C06Y 120.0 . . ?
C04Q C06Y C07L 120.0 . . ?
C06Y C04Q C034 120.0 . . ?
C03H C03A P01I 123.3(7) . . ?
C03H C03A C02U 120.0 . . ?
C02U C03A P01I 116.4(7) . . ?
C05X C03H C03A 120.0 . . ?
C03H C05X C06N 120.0 . . ?
F02D C06N C05X 118.9(10) . . ?
F02D C06N C03N 121.1(10) . . ?
C03N C06N C05X 120.0 . . ?
C06N C03N C02U 120.0 . . ?
C03N C02U C03A 120.0 . . ?
C04H C03B P01J 116.2(6) . . ?
C04H C03B C04F 120.0 . . ?
C04F C03B P01J 123.6(6) . . ?
C06Q C04H C03B 120.0 . . ?
C04H C06Q C056 120.0 . . ?
F01U C056 C06Q 120.8(11) . . ?
F01U C056 C06H 119.2(11) . . ?
C06Q C056 C06H 120.0 . . ?
C04F C06H C056 120.0 . . ?
C06H C04F C03B 120.0 . . ?
C03Y C03F P01L 116.6(7) . . ?
C03Y C03F C03T 120.0 . . ?
C03T C03F P01L 123.3(7) . . ?
C03F C03Y C049 120.0 . . ?
C045 C049 C03Y 120.0 . . ?
F01V C045 C049 120.3(10) . . ?
F01V C045 C05K 119.7(10) . . ?
C049 C045 C05K 120.0 . . ?
C03T C05K C045 120.0 . . ?
C05K C03T C03F 120.0 . . ?
C047 C03J P01F 119.6(7) . . ?
C047 C03J C04X 120.0 . . ?
C04X C03J P01F 120.3(7) . . ?
C03J C047 C07I 120.0 . . ?
C06K C07I C047 120.0 . . ?
F026 C06K C07I 120.2(12) . . ?
F026 C06K C06D 119.7(12) . . ?
C07I C06K C06D 120.0 . . ?
C06K C06D C04X 120.0 . . ?
C06D C04X C03J 120.0 . . ?
C04W C03K P01N 119.2(7) . . ?
C04W C03K C05S 120.0 . . ?
C05S C03K P01N 120.7(7) . . ?
C07A C04W C03K 120.0 . . ?
C04W C07A C07T 120.0 . . ?
F023 C07T C07A 119.9(11) . . ?
F023 C07T C07K 120.1(11) . . ?
C07A C07T C07K 120.0 . . ?
C05S C07K C07T 120.0 . . ?
C07K C05S C03K 120.0 . . ?
C036 C03M P01I 117.0(6) . . ?
C036 C03M C03R 120.0 . . ?
C03R C03M P01I 122.9(6) . . ?
C03S C036 C03M 120.0 . . ?
C036 C03S C05B 120.0 . . ?
F01X C05B C03S 120.7(10) . . ?
F01X C05B C06G 119.3(10) . . ?
C06G C05B C03S 120.0 . . ?
C05B C06G C03R 120.0 . . ?
C06G C03R C03M 120.0 . . ?
C02S C03O C5 120.0 . . ?
C03O C02S C02J 120.0 . . ?
C02S C02J P01H 118.9(7) . . ?
C05J C02J P01H 121.1(7) . . ?
C05J C02J C02S 120.0 . . ?
C7 C05J C02J 120.0 . . ?
C05J C7 C5 120.0 . . ?
C7 C5 C03O 120.0 . . ?
F1 C5 C03O 118.6(11) . . ?
F1 C5 C7 121.4(11) . . ?
C04I C03P P01Q 119.4(7) . . ?
C04I C03P C053 120.0 . . ?
C053 C03P P01Q 120.6(7) . . ?
C071 C04I C03P 120.0 . . ?
C04I C071 C148 120.0 . . ?
F02I C148 C071 119.7(13) . . ?
F02I C148 C07S 120.1(13) . . ?
C07S C148 C071 120.0 . . ?
C148 C07S C053 120.0 . . ?
C03P C053 C07S 120.0 . . ?
C07R C03W P01Q 122.4(8) . . ?
C07R C03W C2AA 120.0 . . ?
C2AA C03W P01Q 116.9(8) . . ?
C03W C07R C10 120.0 . . ?
C6AA C10 C07R 120.0 . . ?
C10 C6AA C06Z 120.0 . . ?
F143 C6AA C10 118.2(12) . . ?
F143 C6AA C06Z 121.4(12) . . ?
C2AA C06Z C6AA 120.0 . . ?
C06Z C2AA C03W 120.0 . . ?
C06S C03Z P01K 123.0(7) . . ?
C06S C03Z C050 120.0 . . ?
C050 C03Z P01K 116.9(7) . . ?
C07W C06S C03Z 120.0 . . ?
C06S C07W C085 120.0 . . ?
F02R C085 C07W 118.9(11) . . ?
F02R C085 C054 121.1(11) . . ?
C054 C085 C07W 120.0 . . ?
C050 C054 C085 120.0 . . ?
C054 C050 C03Z 120.0 . . ?
C040 C042 P01G 117.8(8) . . ?
C040 C042 C05Z 120.0 . . ?
C05Z C042 P01G 122.1(8) . . ?
C042 C040 C061 120.0 . . ?
C7AA C061 C040 120.0 . . ?
C061 C7AA C167 120.0 . . ?
F07U C7AA C061 115.8(13) . . ?
F07U C7AA C167 124.2(13) . . ?
C05Z C167 C7AA 120.0 . . ?
C167 C05Z C042 120.0 . . ?
C03C C048 P01S 122.8(7) . . ?
C03C C048 C03V 120.0 . . ?
C03V C048 P01S 117.2(6) . . ?
C08D C03C C048 120.0 . . ?
C03C C08D C06W 120.0 . . ?
F020 C06W C08D 120.3(11) . . ?
F020 C06W C06E 119.7(11) . . ?
C06E C06W C08D 120.0 . . ?
C06W C06E C03V 120.0 . . ?
C06E C03V C048 120.0 . . ?
C05L C04D P01L 120.9(7) . . ?
C05L C04D C05R 120.0 . . ?
C05R C04D P01L 119.1(7) . . ?
C04D C05L C072 120.0 . . ?
C05L C072 C118 120.0 . . ?
F030 C118 C072 123.7(14) . . ?
F030 C118 C150 116.2(14) . . ?
C150 C118 C072 120.0 . . ?
C05R C150 C118 120.0 . . ?
C150 C05R C04D 120.0 . . ?
C08X C04K P01S 117.3(7) . . ?
C08X C04K C07H 120.0 . . ?
C07H C04K P01S 122.0(8) . . ?
C104 C08X C04K 120.0 . . ?
C08X C104 C110 120.0 . . ?
C8 C110 C104 120.0 . . ?
F2 C110 C104 117.5(11) . . ?
F2 C110 C8 121.8(11) . . ?
C07H C8 C110 120.0 . . ?
C8 C07H C04K 120.0 . . ?
C05C C04P C04B 120.0 . . ?
C04P C05C C052 120.0 . . ?
F02A C052 C05C 120.4(12) . . ?
F02A C052 C07D 119.6(12) . . ?
C07D C052 C05C 120.0 . . ?
C04V C07D C052 120.0 . . ?
C04B C04V C07D 120.0 . . ?
C04P C04B P01H 116.5(7) . . ?
C04V C04B P01H 123.2(7) . . ?
C04V C04B C04P 120.0 . . ?
C062 C04S P01M 117.9(7) . . ?
C062 C04S C24 120.0 . . ?
C24 C04S P01M 122.0(7) . . ?
C04S C062 C07J 120.0 . . ?
C062 C07J C166 120.0 . . ?
F031 C166 C07J 119.2(11) . . ?
F031 C166 C089 120.8(11) . . ?
C089 C166 C07J 120.0 . . ?
C166 C089 C24 120.0 . . ?
C089 C24 C04S 120.0 . . ?
C55 C04Y P01R 118.1(10) . . ?
C55 C04Y C05N 120.0 . . ?
C05N C04Y P01R 121.9(10) . . ?
C04Y C55 C93 120.0 . . ?
C125 C93 C55 120.0 . . ?
C93 C125 C98 120.0 . . ?
F122 C125 C93 122.5(14) . . ?
F122 C125 C98 117.3(14) . . ?
C125 C98 C05N 120.0 . . ?
C98 C05N C04Y 120.0 . . ?
C039 C059 P01H 116.3(6) . . ?
C039 C059 C06J 120.0 . . ?
C06J C059 P01H 123.6(6) . . ?
C058 C039 C059 120.0 . . ?
C039 C058 C057 120.0 . . ?
F01T C057 C058 119.7(10) . . ?
F01T C057 C084 120.3(10) . . ?
C084 C057 C058 120.0 . . ?
C057 C084 C06J 120.0 . . ?
C084 C06J C059 120.0 . . ?
C075 C05V C06P 120.0 . . ?
C149 C075 C05V 120.0 . . ?
F03E C149 C075 121.9(13) . . ?
F03E C149 C168 118.1(13) . . ?
C075 C149 C168 120.0 . . ?
C143 C168 C149 120.0 . . ?
C168 C143 C06P 120.0 . . ?
C05V C06P P01K 116.5(8) . . ?
C143 C06P P01K 123.5(8) . . ?
C143 C06P C05V 120.0 . . ?
C06O C06X P01Q 116.6(7) . . ?
C06O C06X C04U 120.0 . . ?
C04U C06X P01Q 123.4(7) . . ?
C06X C06O C066 120.0 . . ?
C06U C066 C06O 120.0 . . ?
F02B C06U C066 118.7(10) . . ?
F02B C06U C07X 121.3(10) . . ?
C07X C06U C066 120.0 . . ?
C06U C07X C04U 120.0 . . ?
C07X C04U C06X 120.0 . . ?
C190 C08A C05M 120.0 . . ?
F02X C190 C08A 116.1(14) . . ?
F02X C190 C07E 123.8(14) . . ?
C07E C190 C08A 120.0 . . ?
C190 C07E C04Z 120.0 . . ?
C05Q C04Z C07E 120.0 . . ?
C04Z C05Q P01S 119.7(7) . . ?
C04Z C05Q C05M 120.0 . . ?
C05M C05Q P01S 120.2(7) . . ?
C05Q C05M C08A 120.0 . . ?
C051 C09K C134 120.0 . . ?
C09K C051 P01P 116.4(11) . . ?
C09K C051 C106 120.0 . . ?
C106 C051 P01P 123.6(11) . . ?
C137 C106 C051 120.0 . . ?
C22 C137 C106 120.0 . . ?
C137 C22 C134 120.0 . . ?
F145 C22 C137 127.0(17) . . ?
F145 C22 C134 112.8(17) . . ?
C22 C134 C09K 120.0 . . ?
C1BA C09W C05H 120.0 . . ?
C3AA C1BA C09W 120.0 . . ?
C1BA C3AA C09J 120.0 . . ?
F146 C3AA C1BA 118(2) . . ?
F146 C3AA C09J 122(2) . . ?
C132 C09J C3AA 120.0 . . ?
C09J C132 C05H 120.0 . . ?
C09W C05H P01O 118.9(10) . . ?
C132 C05H P01O 121.1(10) . . ?
C132 C05H C09W 120.0 . . ?
C141 C103 C49 120.0 . . ?
F17 C103 C141 121.2(13) . . ?
F17 C103 C49 118.8(13) . . ?
C103 C141 C09N 120.0 . . ?
C141 C09N C05F 120.0 . . ?
C09N C05F P01L 116.7(9) . . ?
C06M C05F P01L 123.0(9) . . ?
C06M C05F C09N 120.0 . . ?
C05F C06M C49 120.0 . . ?
C06M C49 C103 120.0 . . ?
C135 C126 C198 120.0 . . ?
F12 C126 C135 120.5(14) . . ?
F12 C126 C198 119.4(14) . . ?
C67 C135 C126 120.0 . . ?
C06C C67 C135 120.0 . . ?
C67 C06C P01P 117.6(9) . . ?
C67 C06C C06B 120.0 . . ?
C06B C06C P01P 122.3(9) . . ?
C198 C06B C06C 120.0 . . ?
C06B C198 C126 120.0 . . ?
F029 C86 C070 120.1(11) . . ?
F029 C86 C081 119.9(11) . . ?
C070 C86 C081 120.0 . . ?
C03I C070 C86 120.0 . . ?
C070 C03I C04G 120.0 . . ?
C03I C04G P01G 117.8(7) . . ?
C063 C04G P01G 122.2(7) . . ?
C063 C04G C03I 120.0 . . ?
C04G C063 C081 120.0 . . ?
C86 C081 C063 120.0 . . ?
C05G C5AA C79 120.0 . . ?
C028 C05G C5AA 120.0 . . ?
C05G C028 P01I 121.8(7) . . ?
C05G C028 C02V 120.0 . . ?
C02V C028 P01I 118.2(7) . . ?
C035 C02V C028 120.0 . . ?
C02V C035 C79 120.0 . . ?
F02O C79 C5AA 120.4(11) . . ?
F02O C79 C035 119.6(11) . . ?
C5AA C79 C035 120.0 . . ?
F08G C144 C112 122.8(13) . . ?
F08G C144 C9AA 117.1(13) . . ?
C112 C144 C9AA 120.0 . . ?
C61 C112 C144 120.0 . . ?
C112 C61 C03U 120.0 . . ?
C61 C03U P01M 123.9(9) . . ?
C101 C03U P01M 116.0(9) . . ?
C101 C03U C61 120.0 . . ?
C03U C101 C9AA 120.0 . . ?
C101 C9AA C144 120.0 . . ?
F151 C191 C174 117.3(16) . . ?
F151 C191 C113 122.3(16) . . ?
C174 C191 C113 120.0 . . ?
C08Z C174 C191 120.0 . . ?
C174 C08Z C04J 120.0 . . ?
C08Z C04J P01P 120.1(10) . . ?
C46 C04J P01P 119.7(10) . . ?
C46 C04J C08Z 120.0 . . ?
C113 C46 C04J 120.0 . . ?
C46 C113 C191 120.0 . . ?
F8AA C114 C173 123.3(17) . . ?
F8AA C114 C0BA 116.6(17) . . ?
C173 C114 C0BA 120.0 . . ?
C07O C173 C114 120.0 . . ?
C173 C07O C065 120.0 . . ?
C07O C065 P01R 119.1(11) . . ?
C07O C065 C0A0 120.0 . . ?
C0A0 C065 P01R 120.8(11) . . ?
C065 C0A0 C0BA 120.0 . . ?
C0A0 C0BA C114 120.0 . . ?
C07B C187 C155 120.0 . . ?
C187 C07B P01M 121.9(8) . . ?
C076 C07B P01M 118.0(8) . . ?
C076 C07B C187 120.0 . . ?
C07B C076 C06A 120.0 . . ?
C0A7 C06A C076 120.0 . . ?
F046 C0A7 C06A 120.3(14) . . ?
F046 C0A7 C155 119.7(14) . . ?
C06A C0A7 C155 120.0 . . ?
C0A7 C155 C187 120.0 . . ?
C130 C3 C89 120.0 . . ?
C06T C130 C3 120.0 . . ?
C130 C06T P01R 124.4(11) . . ?
C130 C06T C092 120.0 . . ?
C092 C06T P01R 115.5(11) . . ?
C164 C092 C06T 120.0 . . ?
C092 C164 C89 120.0 . . ?
F123 C89 C3 121.9(16) . . ?
F123 C89 C164 118.1(16) . . ?
C164 C89 C3 120.0 . . ?
C1AA C56 C63 120.0 . . ?
C56 C1AA F177 128.5(16) . . ?
C56 C1AA C154 120.0 . . ?
C154 C1AA F177 111.4(16) . . ?
C1AA C154 C156 120.0 . . ?
C186 C156 C154 120.0 . . ?
C156 C186 P01O 116.9(11) . . ?
C63 C186 P01O 123.1(11) . . ?
C63 C186 C156 120.0 . . ?
C186 C63 C56 120.0 . . ?
C09D C07F P01O 116.6(10) . . ?
C09D C07F C06R 120.0 . . ?
C06R C07F P01O 123.3(10) . . ?
C8AA C09D C07F 120.0 . . ?
C09D C8AA C138 120.0 . . ?
F26 C138 C8AA 123.5(14) . . ?
F26 C138 C120 116.5(14) . . ?
C120 C138 C8AA 120.0 . . ?
C06R C120 C138 120.0 . . ?
C120 C06R C07F 120.0 . . ?
C09E C3BA P01O 123(2) . . ?
C09E C3BA C2BA 120.0 . . ?
C2BA C3BA P01O 117(2) . . ?
C3BA C09E C8AB 120.0 . . ?
C1 C8AB C09E 120.0 . . ?
C8AB C1 C2 120.0 . . ?
C8AB C1 F26A 116(3) . . ?
C2 C1 F26A 124(3) . . ?
C2BA C2 C1 120.0 . . ?
C2 C2BA C3BA 120.0 . . ?

_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 -0.001 5867 2336 ' '
2 0.042 0.319 0.611 115 27 ' '
3 -0.042 0.319 0.889 115 27 ' '
4 0.000 0.362 0.250 110 22 ' '
5 0.000 0.365 0.750 7 0 ' '
6 0.000 0.502 0.250 76 19 ' '
7 0.000 0.498 0.750 75 20 ' '
8 0.000 0.638 0.750 110 23 ' '
9 0.000 0.635 0.250 7 0 ' '
10 0.042 0.681 0.111 114 27 ' '
11 -0.042 0.681 0.389 115 27 ' '
12 0.042 0.320 0.105 15 1 ' '
13 0.042 0.680 0.605 15 1 ' '
14 0.095 0.232 0.543 53 3 ' '
15 0.095 0.768 0.043 53 2 ' '
16 0.103 0.431 0.211 54 1 ' '
17 0.103 0.569 0.711 54 1 ' '
18 0.121 0.201 0.431 5 0 ' '
19 0.121 0.799 0.931 5 0 ' '
20 0.143 0.461 0.121 5 0 ' '
21 0.143 0.539 0.621 5 0 ' '
22 0.215 0.261 0.227 161 40 ' '
23 0.215 0.739 0.727 161 40 ' '
24 0.199 0.336 0.815 52 5 ' '
25 0.199 0.664 0.315 53 5 ' '
26 0.285 0.239 0.772 160 40 ' '
27 0.285 0.761 0.272 160 40 ' '
28 0.301 0.164 0.185 53 5 ' '
29 0.301 0.836 0.685 52 5 ' '
30 0.500 0.500 0.243 5867 2336 ' '
31 0.360 0.042 0.875 7 0 ' '
32 0.360 0.958 0.375 7 0 ' '
33 0.398 0.069 0.786 53 1 ' '
34 0.398 0.931 0.286 52 1 ' '
35 0.382 0.297 0.562 7 1 ' '
36 0.382 0.703 0.062 7 1 ' '
37 0.405 0.267 0.454 52 2 ' '
38 0.405 0.733 -0.046 52 2 ' '
39 0.458 0.181 0.389 115 27 ' '
40 0.458 0.819 0.889 115 27 ' '
41 0.500 0.002 0.250 76 19 ' '
42 0.500 0.998 0.750 75 20 ' '
43 0.500 0.138 0.750 110 23 ' '
44 0.500 0.862 0.250 110 22 ' '
45 0.458 0.180 0.896 15 1 ' '
46 0.458 0.820 0.396 15 1 ' '
47 0.542 0.181 0.111 114 27 ' '
48 0.542 0.819 0.611 115 27 ' '
49 0.500 0.135 0.250 7 0 ' '
50 0.500 0.865 0.750 7 0 ' '
51 0.542 0.180 0.605 15 1 ' '
52 0.542 0.820 0.105 15 1 ' '
53 0.595 0.268 0.043 53 2 ' '
54 0.595 0.732 0.543 53 3 ' '
55 0.603 0.069 0.711 54 1 ' '
56 0.603 0.931 0.211 54 1 ' '
57 0.621 0.299 0.931 5 0 ' '
58 0.621 0.701 0.431 5 0 ' '
59 0.643 0.039 0.621 5 0 ' '
60 0.643 0.961 0.121 5 0 ' '
61 0.715 0.239 0.727 161 40 ' '
62 0.715 0.761 0.227 161 40 ' '
63 0.699 0.164 0.315 53 5 ' '
64 0.699 0.836 0.815 52 5 ' '
65 0.785 0.261 0.272 160 40 ' '
66 0.785 0.739 0.772 160 40 ' '
67 0.801 0.336 0.685 52 5 ' '
68 0.801 0.664 0.185 53 5 ' '
69 0.860 0.458 0.375 7 0 ' '
70 0.860 0.542 0.875 7 0 ' '
71 0.898 0.431 0.286 52 1 ' '
72 0.898 0.569 0.786 53 1 ' '
73 0.882 0.203 0.062 7 1 ' '
74 0.882 0.797 0.562 7 1 ' '
75 0.905 0.233 -0.046 52 2 ' '
76 0.905 0.767 0.454 52 2 ' '
77 0.958 0.320 0.395 15 1 ' '
78 0.958 0.680 0.895 15 1 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
