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

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

data_au12ag1-1_sq
_database_code_depnum_ccdc_archive 'CCDC 2500926'
loop_
_audit_author_name
_audit_author_address
'Cao Fang'
;Anhui University
China
;
_audit_update_record             
;
2026-03-05 deposited with the CCDC.	2026-04-10 downloaded from the CCDC.
;
_audit_creation_date             2026-03-05
_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         'C133 H104 Ag Au12 Cl N5 O3 P6 S5'
_chemical_formula_sum            'C133 H104 Ag Au12 Cl N5 O3 P6 S5'
_chemical_formula_weight         4673.24
_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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.999(3)
_cell_length_b                   16.750(2)
_cell_length_c                   30.139(4)
_cell_angle_alpha                86.732(12)
_cell_angle_beta                 89.337(14)
_cell_angle_gamma                87.829(13)
_cell_volume                     8057(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    25832
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      69.02
_cell_measurement_theta_min      3.04
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    22.568
_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            'metallic orangish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.926
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4286
_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  0.0419
_diffrn_reflns_av_unetI/netI     0.0479
_diffrn_reflns_Laue_measured_fraction_full 0.963
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            56629
_diffrn_reflns_point_group_measured_fraction_full 0.963
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        62.498
_diffrn_reflns_theta_max         62.498
_diffrn_reflns_theta_min         4.064
_diffrn_ambient_temperature      120(2)
_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         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                19774
_reflns_number_total             24737
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         3.410
_refine_diff_density_min         -4.769
_refine_diff_density_rms         0.311
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1291
_refine_ls_number_reflns         24737
_refine_ls_number_restraints     1336
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0669
_refine_ls_restrained_S_all      1.060
_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)+(0.1419P)²+9.3164P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1935
_refine_ls_wR_factor_ref         0.2014
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C3-C1 = C3-C11 = C2AA-C1 = C2AA-C1AA
 1.39 with sigma of 0.001
 N6-C11 = N6-C1AA
 1.32 with sigma of 0.001
 C3AA-C32 = C4AA-C3AA = C4AA-C40 = C6-C32
 1.39 with sigma of 0.001
 N42-C6 = N42-C40
 1.32 with sigma of 0.001
 C32-C40
 2.72 with sigma of 0.01
 C6-C4AA
 2.72 with sigma of 0.01
 C7-C44 = C44-C38 = C76-C38 = C76-C138
 1.39 with sigma of 0.01
 C44-C138
 2.72 with sigma of 0.01
 C7-C76
 2.72 with sigma of 0.01
 N55-C7 = N55-C138
 1.34 with sigma of 0.01
 C38-C7
 2.42 with sigma of 0.01
 C38-C138
 2.42 with sigma of 0.01
 S00O-C44
 2.65 with sigma of 0.01
 S00O-C76
 2.65 with sigma of 0.01
 C70-C68 = C70-C5AA = C5AA-C108 = C114-C108
 1.39 with sigma of 0.01
 N37-C68 = N37-C114
 1.34 with sigma of 0.01
 C5AA-C114
 2.42 with sigma of 0.01
 C5AA-C68
 2.42 with sigma of 0.01
 C70-C114
 2.72 with sigma of 0.01
 C68-C108
 2.72 with sigma of 0.01
 C108-S00P
 2.65 with sigma of 0.01
 S00P-C70
 2.65 with sigma of 0.01
 C0BA-S00N
 2.65 with sigma of 0.01
 S00N-C7AA
 2.65 with sigma of 0.01
 C8AA-C7AA = C7AA-C6AA = C6AA-C0BA = C8-C0BA
 1.39 with sigma of 0.01
 N9AA-C8 = N9AA-C8AA
 1.34 with sigma of 0.01
 C6AA-C8
 2.42 with sigma of 0.01
 C6AA-C8AA
 2.42 with sigma of 0.01
 C7AA-C8
 2.72 with sigma of 0.01
 C8AA-C0BA
 2.72 with sigma of 0.01
 Au09-C44
 3.1 with sigma of 0.01
3. Restrained planarity
 C1, C3, C11, N6, C1AA, C2AA
 with sigma of 0.1
 C32, C3AA, C4AA, C40, N42, C6
 with sigma of 0.1
 C44, C38, C76, C138, N55, C7
 with sigma of 0.1
 C70, C5AA, C108, C114, N37, C68
 with sigma of 0.1
 C6AA, C7AA, C8AA, N9AA, C8, C0BA
 with sigma of 0.1
 S00O, C38, C44, C7, N55, C76, C138
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
S00K \\sim C3AA \\sim C32 \\sim C6 \\sim N42 \\sim C40 \\sim C4AA: within 3.8A
with sigma of 0.001 and sigma for terminal atoms of 0.002
S00O \\sim C38 \\sim C44 \\sim C7 \\sim N55 \\sim C138 \\sim C76: within 3.8A
with sigma of 0.01 and sigma for terminal atoms of 0.02
S00P \\sim C5AA \\sim C70 \\sim C68 \\sim N37 \\sim C114 \\sim C108: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
S00N \\sim C6AA \\sim C0BA \\sim C8 \\sim N9AA \\sim C8AA \\sim C7AA: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C00T) \\sim Ueq, Uanis(C00U) \\sim Ueq, Uanis(C00V) \\sim Ueq,
Uanis(C00W) \\sim Ueq, Uanis(C00X) \\sim Ueq, Uanis(C00Y) \\sim Ueq,
Uanis(C00Z) \\sim Ueq, Uanis(C010) \\sim Ueq, Uanis(C011) \\sim Ueq,
Uanis(C012) \\sim Ueq, Uanis(C013) \\sim Ueq, Uanis(C014) \\sim Ueq,
Uanis(C015) \\sim Ueq, Uanis(C016) \\sim Ueq, Uanis(C018) \\sim Ueq,
Uanis(C019) \\sim Ueq, Uanis(C01A) \\sim Ueq, Uanis(C01B) \\sim Ueq,
Uanis(C01C) \\sim Ueq, Uanis(C01D) \\sim Ueq, Uanis(C01E) \\sim Ueq,
Uanis(C01F) \\sim Ueq, Uanis(C01G) \\sim Ueq, Uanis(C01H) \\sim Ueq,
Uanis(C01I) \\sim Ueq, Uanis(C01J) \\sim Ueq, Uanis(C01K) \\sim Ueq,
Uanis(C01L) \\sim Ueq, Uanis(C01M) \\sim Ueq, Uanis(C01N) \\sim Ueq,
Uanis(C01O) \\sim Ueq, Uanis(C01P) \\sim Ueq, Uanis(C01Q) \\sim Ueq,
Uanis(C01T) \\sim Ueq, Uanis(C01V) \\sim Ueq, Uanis(C01X) \\sim Ueq,
Uanis(C01Y) \\sim Ueq, Uanis(C01Z) \\sim Ueq, Uanis(C020) \\sim Ueq,
Uanis(C022) \\sim Ueq, Uanis(C023) \\sim Ueq, Uanis(C024) \\sim Ueq,
Uanis(C025) \\sim Ueq, Uanis(C026) \\sim Ueq, Uanis(C027) \\sim Ueq,
Uanis(C028) \\sim Ueq, Uanis(C029) \\sim Ueq, Uanis(C02A) \\sim Ueq,
Uanis(C02B) \\sim Ueq, Uanis(C02C) \\sim Ueq, Uanis(C01R) \\sim Ueq,
Uanis(C02R) \\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C18)
\\sim Ueq, Uanis(C02D) \\sim Ueq, Uanis(C02E) \\sim Ueq, Uanis(C02F) \\sim Ueq,
Uanis(C02G) \\sim Ueq, Uanis(C02H) \\sim Ueq, Uanis(C02I) \\sim Ueq,
Uanis(C02J) \\sim Ueq, Uanis(C02K) \\sim Ueq, Uanis(C02L) \\sim Ueq,
Uanis(C02M) \\sim Ueq, Uanis(C02N) \\sim Ueq, Uanis(C02O) \\sim Ueq,
Uanis(C02P) \\sim Ueq, Uanis(C02S) \\sim Ueq, Uanis(C02U) \\sim Ueq,
Uanis(C02V) \\sim Ueq, Uanis(C02W) \\sim Ueq, Uanis(C02X) \\sim Ueq,
Uanis(C02Y) \\sim Ueq, Uanis(C030) \\sim Ueq, Uanis(C031) \\sim Ueq,
Uanis(C032) \\sim Ueq, Uanis(C033) \\sim Ueq, Uanis(C034) \\sim Ueq,
Uanis(C035) \\sim Ueq, Uanis(C036) \\sim Ueq, Uanis(C039) \\sim Ueq,
Uanis(C03A) \\sim Ueq, Uanis(C03B) \\sim Ueq, Uanis(C03D) \\sim Ueq,
Uanis(C03E) \\sim Ueq, Uanis(C03F) \\sim Ueq, Uanis(C03H) \\sim Ueq,
Uanis(C03L) \\sim Ueq, Uanis(C03M) \\sim Ueq, Uanis(C03P) \\sim Ueq,
Uanis(C03Q) \\sim Ueq, Uanis(C03S) \\sim Ueq, Uanis(C03U) \\sim Ueq,
Uanis(C03V) \\sim Ueq, Uanis(C03W) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C4)
\\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C69) \\sim Ueq,
Uanis(C127) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(C109)
\\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C01W) \\sim Ueq, Uanis(C01S) \\sim Ueq,
Uanis(C1) \\sim Ueq, Uanis(C2AA) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C11)
\\sim Ueq, Uanis(C1AA) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C3AA) \\sim Ueq,
Uanis(C32) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C4AA) \\sim Ueq, Uanis(C7)
\\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C76) \\sim Ueq,
Uanis(C138) \\sim Ueq, Uanis(C5AA) \\sim Ueq, Uanis(C68) \\sim Ueq, Uanis(C70)
\\sim Ueq, Uanis(C108) \\sim Ueq, Uanis(C114) \\sim Ueq, Uanis(C6AA) \\sim Ueq,
Uanis(C8AA) \\sim Ueq, Uanis(C0BA) \\sim Ueq, Uanis(C7AA) \\sim Ueq, Uanis(C8)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C32) \\sim Ueq, Uanis(S00K) \\sim Ueq, Uanis(C3AA) \\sim Ueq, Uanis(C4AA)
\\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(N42) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(S00O) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C7)
\\sim Ueq, Uanis(N55) \\sim Ueq, Uanis(C138) \\sim Ueq, Uanis(C76) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(S00P) \\sim Ueq, Uanis(C5AA) \\sim Ueq, Uanis(C70) \\sim Ueq, Uanis(C68)
\\sim Ueq, Uanis(N37) \\sim Ueq, Uanis(C108) \\sim Ueq, Uanis(C114) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
5.a Aromatic/amide H refined with riding coordinates:
 C01E(H01E), C03L(H03L), C03U(H03U), C03W(H03W), C01K(H01K), C00W(H00W),
 C00V(H00V), C032(H032), C02Y(H02Y), C02G(H02G), C01M(H01M), C02E(H02E),
 C02S(H02S), C02B(H02B), C010(H010), C01J(H01J), C031(H031), C034(H034),
 C02P(H02P), C01D(H01D), C030(H030), C53(H53), C69(H69), C03D(H03D), C01B(H01B),
  C020(H020), C02A(H02A), C01T(H01T), C01F(H01F), C019(H019), C03P(H03P),
 C03E(H03E), C02K(H02K), C01O(H01O), C02F(H02F), C027(H027), C01Q(H01Q),
 C01C(H01C), C023(H023), C03M(H03M), C02N(H02N), C02H(H02H), C02C(H02C),
 C02R(H02R), C22(H22), C5(H5), C18(H18), C02M(H02M), C02J(H02J), C01X(H01X),
 C02W(H02W), C02V(H02V), C02U(H02U), C018(H018), C01Z(H01Z), C02I(H02I),
 C02X(H02X), C02D(H02D), C039(H039), C03S(H03S), C03A(H03A), C035(H035),
 C036(H036), C03H(H03H), C03B(H03B), C01N(H01N), C011(H011), C03F(H03F),
 C02O(H02O), C01H(H01H), C02L(H02L), C2(H2), C03V(H03V), C033(H033), C022(H022),
  C03Q(H03Q), C4(H4), C33(H33), C127(H127), C0AA(H0AA), C63(H63), C109(H109),
 C54(H54), C01W(H01W), C2AA(H2AA), C3(H3), C11(H11), C1AA(H1AA), C6(H6),
 C32(H32), C40(H40), C4AA(H4AA), C7(H7), C44(H44), C76(H76), C138(H138),
 C68(H68), C70(H70), C108(H108), C114(H114), C8AA(H8AA), C0BA(H0BA), C7AA(H7AA),
  C8(H8)
5.b Fitted hexagon refined as free rotating group:
 C00U(C01E,C03L,C03U,C03W,C01K), C00W(C00T,C00V,C032,C02Y,C02G), C00Y(C01M,
 C02E,C02S,C02B,C01P), C010(C01J,C031,C034,C02P,C01L), C013(C01D,C030,C53,C69,
 C03D), C01A(C01B,C020,C02A,C01T,C014), C01G(C019,C03P,C03E,C02K,C024),
 C01O(C02F,C027,C01Q,C015,C01C), C023(C03M,C02N,C02H,C026,C01Y), C02C(C01R,C02R,
 C22,C5,C18), C02M(C02J,C012,C00X,C01X,C02W), C02V(C02U,C01I,C018,C01Z,C02I),
 C02X(C02D,C025,C039,C03S,C03A), C036(C03H,C03B,C01N,C00Z,C011), C03F(C02O,C01V,
 C016,C01H,C02L), C2(C03V,C033,C022,C028,C03Q), C0AA(C63,C109,C54,C01W,C01S)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.62757(3) 0.68217(3) 0.74727(2) 0.02391(13) Uani 1 1 d . . . . .
Au02 Au 0.50650(3) 0.76864(3) 0.70057(2) 0.02671(13) Uani 1 1 d . . . . .
Au03 Au 0.63793(3) 0.84512(3) 0.74542(2) 0.02775(13) Uani 1 1 d . . . . .
Au04 Au 0.61446(3) 0.51954(3) 0.75160(2) 0.02982(14) Uani 1 1 d . . . . .
Au05 Au 0.57619(3) 0.61652(3) 0.67134(2) 0.02725(13) Uani 1 1 d . . . . .
Au06 Au 0.57755(3) 0.61201(3) 0.82698(2) 0.03046(14) Uani 1 1 d . . . . .
Au07 Au 0.78527(3) 0.74237(3) 0.74506(2) 0.03179(14) Uani 1 1 d . . . . .
Au08 Au 0.67940(4) 0.75442(3) 0.66698(2) 0.04000(16) Uani 1 1 d . . . . .
Au09 Au 0.74747(4) 0.59486(4) 0.79694(2) 0.04317(16) Uani 1 1 d D . . . .
Au0A Au 0.50865(4) 0.76329(4) 0.79693(2) 0.04312(16) Uani 1 1 d . . . . .
Au0B Au 0.68442(4) 0.74830(4) 0.82416(2) 0.04962(18) Uani 1 1 d . . . . .
Au0C Au 0.75093(4) 0.59916(4) 0.70153(2) 0.05215(18) Uani 1 1 d . . . . .
Ag0D Ag 0.46649(5) 0.62299(5) 0.74991(3) 0.02307(18) Uani 1 1 d . . . . .
P00E P 0.6479(2) 0.98075(18) 0.74801(12) 0.0331(7) Uani 1 1 d . . . . .
P00F P 0.5352(2) 0.57147(19) 0.60431(10) 0.0309(7) Uani 1 1 d . . . . .
P00G P 0.4034(2) 0.84170(19) 0.66232(11) 0.0317(7) Uani 1 1 d . . . . .
P00H P 0.6096(2) 0.38258(19) 0.75629(11) 0.0361(7) Uani 1 1 d . . . . .
P00I P 0.5414(2) 0.5517(2) 0.89402(11) 0.0380(8) Uani 1 1 d . . . . .
P00J P 0.9163(2) 0.7924(2) 0.74760(13) 0.0391(8) Uani 1 1 d . . . . .
S00K S 0.8538(3) 0.5315(3) 0.65905(15) 0.0569(8) Uani 1 1 d . U . . .
S00L S 0.7092(3) 0.8207(2) 0.59758(12) 0.0496(9) Uani 1 1 d . . . . .
Cl00 Cl 0.3264(2) 0.5751(3) 0.75228(13) 0.0552(9) Uani 1 1 d . . . . .
S00N S 0.4180(3) 0.8270(3) 0.84749(15) 0.0598(10) Uani 1 1 d D U . . .
S00O S 0.8407(3) 0.5084(3) 0.83783(17) 0.0785(14) Uani 1 1 d D U . . .
S00P S 0.7431(5) 0.8158(4) 0.88161(19) 0.0936(17) Uani 1 1 d D U . . .
O00Q O 0.6228(7) 0.4150(5) 0.8517(3) 0.040(2) Uani 1 1 d . . . . .
O00R O 0.4667(6) 0.7383(5) 0.5952(3) 0.040(2) Uani 1 1 d . . . . .
O00S O 0.8193(6) 0.9324(6) 0.7770(3) 0.045(2) Uani 1 1 d . . . . .
C00U C 0.7145(5) 0.3357(5) 0.7542(3) 0.045(3) Uani 1 1 d . U . . .
C01E C 0.7382(6) 0.2725(6) 0.7838(3) 0.045(3) Uani 1 1 d G U . . .
H01E H 0.699424 0.252712 0.805516 0.054 Uiso 1 1 calc R . . . .
C03L C 0.8185(6) 0.2382(6) 0.7817(4) 0.069(5) Uani 1 1 d G U . . .
H03L H 0.834669 0.194995 0.801992 0.082 Uiso 1 1 calc R . . . .
C03U C 0.8752(5) 0.2672(7) 0.7500(4) 0.068(5) Uani 1 1 d G U . . .
H03U H 0.930106 0.243746 0.748597 0.082 Uiso 1 1 calc R . . . .
C03W C 0.8516(6) 0.3304(7) 0.7204(4) 0.073(5) Uani 1 1 d G U . . .
H03W H 0.890297 0.350215 0.698726 0.087 Uiso 1 1 calc R . . . .
C01K C 0.7712(7) 0.3647(6) 0.7225(3) 0.058(4) Uani 1 1 d G U . . .
H01K H 0.755051 0.407934 0.702249 0.070 Uiso 1 1 calc R . . . .
C00W C 0.4893(5) 0.9965(5) 0.7825(3) 0.045(3) Uani 1 1 d . U . . .
H00W H 0.508602 0.954468 0.802715 0.054 Uiso 1 1 calc R . . . .
C00T C 0.5430(4) 1.0280(5) 0.7500(3) 0.038(3) Uani 1 1 d G U . . .
C00V C 0.5146(5) 1.0895(5) 0.7203(3) 0.041(3) Uani 1 1 d G U . . .
H00V H 0.551345 1.111066 0.698128 0.049 Uiso 1 1 calc R . . . .
C032 C 0.4327(5) 1.1194(5) 0.7232(3) 0.050(4) Uani 1 1 d G U . . .
H032 H 0.413314 1.161461 0.702950 0.060 Uiso 1 1 calc R . . . .
C02Y C 0.3790(4) 1.0879(5) 0.7557(3) 0.046(3) Uani 1 1 d G U . . .
H02Y H 0.322926 1.108360 0.757653 0.055 Uiso 1 1 calc R . . . .
C02G C 0.4073(5) 1.0264(5) 0.7853(3) 0.046(3) Uani 1 1 d G U . . .
H02G H 0.370569 1.004863 0.807536 0.056 Uiso 1 1 calc R . . . .
C00Y C 0.3817(4) 0.7500(5) 0.5903(3) 0.037(3) Uani 1 1 d . U . . .
C01M C 0.3369(6) 0.7177(5) 0.5568(3) 0.047(3) Uani 1 1 d G U . . .
H01M H 0.365577 0.689900 0.534240 0.057 Uiso 1 1 calc R . . . .
C02E C 0.2501(6) 0.7259(6) 0.5564(3) 0.054(4) Uani 1 1 d G U . . .
H02E H 0.219505 0.703841 0.533507 0.065 Uiso 1 1 calc R . . . .
C02S C 0.2081(4) 0.7665(6) 0.5894(3) 0.055(4) Uani 1 1 d G U . . .
H02S H 0.148814 0.772197 0.589114 0.066 Uiso 1 1 calc R . . . .
C02B C 0.2529(5) 0.7989(5) 0.6229(3) 0.048(4) Uani 1 1 d G U . . .
H02B H 0.224193 0.826612 0.645455 0.058 Uiso 1 1 calc R . . . .
C01P C 0.3397(5) 0.7906(5) 0.6233(2) 0.037(3) Uani 1 1 d G U . . .
C010 C 0.7411(6) 0.9798(4) 0.6699(3) 0.041(3) Uani 1 1 d . U . . .
H010 H 0.734095 0.923689 0.672298 0.049 Uiso 1 1 calc R . . . .
C01J C 0.7869(6) 1.0138(5) 0.6347(3) 0.052(4) Uani 1 1 d G U . . .
H01J H 0.811123 0.980832 0.612967 0.063 Uiso 1 1 calc R . . . .
C031 C 0.7972(7) 1.0959(5) 0.6312(3) 0.058(4) Uani 1 1 d G U . . .
H031 H 0.828437 1.119143 0.607123 0.069 Uiso 1 1 calc R . . . .
C034 C 0.7617(7) 1.1442(4) 0.6630(3) 0.059(4) Uani 1 1 d G U . . .
H034 H 0.768723 1.200311 0.660611 0.070 Uiso 1 1 calc R . . . .
C02P C 0.7159(6) 1.1102(4) 0.6982(3) 0.040(3) Uani 1 1 d G U . . .
H02P H 0.691695 1.143169 0.719942 0.048 Uiso 1 1 calc R . . . .
C01L C 0.7057(5) 1.0281(4) 0.7017(3) 0.036(3) Uani 1 1 d G U . . .
C013 C 0.4429(6) 0.9245(5) 0.6268(3) 0.037(3) Uani 1 1 d . U . . .
C01D C 0.5201(6) 0.9544(6) 0.6363(3) 0.048(4) Uani 1 1 d G U . . .
H01D H 0.550117 0.933685 0.661693 0.057 Uiso 1 1 calc R . . . .
C030 C 0.5535(5) 1.0147(6) 0.6086(4) 0.065(5) Uani 1 1 d G U . . .
H030 H 0.606315 1.035101 0.615161 0.078 Uiso 1 1 calc R . . . .
C53 C 0.5097(7) 1.0450(6) 0.5715(3) 0.059(4) Uani 1 1 d G U . . .
H53 H 0.532478 1.086177 0.552582 0.071 Uiso 1 1 calc R . . . .
C69 C 0.4324(7) 1.0151(7) 0.5619(3) 0.078(6) Uani 1 1 d G U . . .
H69 H 0.402444 1.035836 0.536534 0.093 Uiso 1 1 calc R . . . .
C03D C 0.3990(5) 0.9549(6) 0.5896(4) 0.061(4) Uani 1 1 d G U . . .
H03D H 0.346244 0.934420 0.583065 0.073 Uiso 1 1 calc R . . . .
C01A C 0.5522(6) 0.6435(4) 0.5564(2) 0.035(3) Uani 1 1 d . U . . .
C01B C 0.6028(5) 0.6246(4) 0.5204(3) 0.034(3) Uani 1 1 d G U . . .
H01B H 0.629819 0.573135 0.519782 0.041 Uiso 1 1 calc R . . . .
C020 C 0.6138(6) 0.6808(5) 0.4853(2) 0.054(4) Uani 1 1 d G U . . .
H020 H 0.648408 0.667820 0.460703 0.065 Uiso 1 1 calc R . . . .
C02A C 0.5743(6) 0.7560(5) 0.4862(3) 0.050(4) Uani 1 1 d G U . . .
H02A H 0.581845 0.794480 0.462210 0.060 Uiso 1 1 calc R . . . .
C01T C 0.5237(6) 0.7750(4) 0.5222(3) 0.045(3) Uani 1 1 d G U . . .
H01T H 0.496692 0.826455 0.522795 0.054 Uiso 1 1 calc R . . . .
C014 C 0.5127(5) 0.7188(5) 0.5573(2) 0.039(3) Uani 1 1 d G U . . .
C01F C 0.2982(10) 0.8345(11) 0.7361(5) 0.057(4) Uani 1 1 d . U . . .
H01F H 0.322906 0.782158 0.740361 0.069 Uiso 1 1 calc R . . . .
C01G C 0.9291(6) 0.8966(4) 0.7280(3) 0.048(4) Uani 1 1 d . U . . .
C019 C 0.9920(6) 0.9154(5) 0.6974(3) 0.049(4) Uani 1 1 d G U . . .
H019 H 1.023480 0.873894 0.683882 0.059 Uiso 1 1 calc R . . . .
C03P C 1.0089(6) 0.9950(6) 0.6865(3) 0.066(5) Uani 1 1 d G U . . .
H03P H 1.051891 1.007848 0.665569 0.079 Uiso 1 1 calc R . . . .
C03E C 0.9629(7) 1.0557(4) 0.7062(4) 0.063(5) Uani 1 1 d G U . . .
H03E H 0.974406 1.110082 0.698762 0.076 Uiso 1 1 calc R . . . .
C02K C 0.9000(6) 1.0369(5) 0.7368(3) 0.050(4) Uani 1 1 d G U . . .
H02K H 0.868510 1.078364 0.750268 0.060 Uiso 1 1 calc R . . . .
C024 C 0.8831(5) 0.9573(5) 0.7477(3) 0.047(3) Uani 1 1 d G U . . .
C01O C 0.3071(5) 0.5138(6) 0.5584(2) 0.041(3) Uani 1 1 d . U . . .
H01O H 0.283008 0.502041 0.530955 0.049 Uiso 1 1 calc R . . . .
C02F C 0.2584(4) 0.5129(6) 0.5969(3) 0.053(4) Uani 1 1 d G U . . .
H02F H 0.201036 0.500612 0.595783 0.063 Uiso 1 1 calc R . . . .
C027 C 0.2937(5) 0.5301(6) 0.6370(2) 0.050(4) Uani 1 1 d G U . . .
H027 H 0.260420 0.529521 0.663346 0.060 Uiso 1 1 calc R . . . .
C01Q C 0.3777(5) 0.5481(5) 0.6387(2) 0.039(3) Uani 1 1 d G U . . .
H01Q H 0.401776 0.559859 0.666083 0.047 Uiso 1 1 calc R . . . .
C015 C 0.4264(4) 0.5490(5) 0.6001(3) 0.039(3) Uani 1 1 d G U . . .
C01C C 0.3911(5) 0.5318(6) 0.5600(2) 0.042(3) Uani 1 1 d G U . . .
H01C H 0.424367 0.532380 0.533692 0.051 Uiso 1 1 calc R . . . .
C023 C 0.6613(7) 0.4989(5) 0.9590(3) 0.052(4) Uani 1 1 d . U . . .
H023 H 0.640987 0.541950 0.975820 0.062 Uiso 1 1 calc R . . . .
C03M C 0.7262(7) 0.4484(6) 0.9753(3) 0.061(4) Uani 1 1 d G U . . .
H03M H 0.750128 0.456788 1.003213 0.073 Uiso 1 1 calc R . . . .
C02N C 0.7559(6) 0.3854(6) 0.9506(3) 0.064(5) Uani 1 1 d G U . . .
H02N H 0.800214 0.350854 0.961730 0.077 Uiso 1 1 calc R . . . .
C02H C 0.7208(7) 0.3731(5) 0.9097(3) 0.060(4) Uani 1 1 d G U . . .
H02H H 0.741158 0.330081 0.892854 0.072 Uiso 1 1 calc R . . . .
C026 C 0.6560(6) 0.4237(6) 0.8934(2) 0.046(3) Uani 1 1 d G U . . .
C01Y C 0.6262(6) 0.4866(5) 0.9181(3) 0.041(3) Uani 1 1 d G U . . .
C029 C 0.3230(10) 0.8843(10) 0.7003(5) 0.049(4) Uani 1 1 d . U . . .
C02C C 0.9519(8) 0.7159(6) 0.8292(4) 0.062(4) Uani 1 1 d . U . . .
H02C H 0.921329 0.673582 0.818519 0.074 Uiso 1 1 calc R . . . .
C01R C 0.9598(7) 0.7866(6) 0.8033(3) 0.045(3) Uani 1 1 d G U . . .
C02R C 1.0046(8) 0.8485(6) 0.8190(4) 0.069(5) Uani 1 1 d G U . . .
H02R H 1.009959 0.896834 0.801274 0.083 Uiso 1 1 calc R . . . .
C22 C 1.0414(9) 0.8398(7) 0.8606(4) 0.104(8) Uani 1 1 d G U . . .
H22 H 1.072005 0.882089 0.871336 0.125 Uiso 1 1 calc R . . . .
C5 C 1.0335(9) 0.7691(8) 0.8865(3) 0.079(6) Uani 1 1 d G U . . .
H5 H 1.058713 0.763092 0.914990 0.095 Uiso 1 1 calc R . . . .
C18 C 0.9888(9) 0.7071(7) 0.8709(4) 0.078(6) Uani 1 1 d G U . . .
H18 H 0.983376 0.658838 0.888582 0.093 Uiso 1 1 calc R . . . .
C02M C 0.4739(6) 0.2221(5) 0.8314(3) 0.057(4) Uani 1 1 d . U . . .
H02M H 0.439215 0.178785 0.826401 0.069 Uiso 1 1 calc R . . . .
C02J C 0.5075(6) 0.2665(5) 0.7956(2) 0.047(3) Uani 1 1 d G U . . .
H02J H 0.495882 0.253486 0.766132 0.057 Uiso 1 1 calc R . . . .
C012 C 0.5583(6) 0.3299(5) 0.8030(2) 0.040(3) Uani 1 1 d G U . . .
C00X C 0.5753(6) 0.3489(5) 0.8462(3) 0.038(3) Uani 1 1 d G U . . .
C01X C 0.5417(7) 0.3045(5) 0.8820(2) 0.046(3) Uani 1 1 d G U . . .
H01X H 0.553341 0.317536 0.911527 0.055 Uiso 1 1 calc R . . . .
C02W C 0.4910(7) 0.2411(5) 0.8746(3) 0.054(4) Uani 1 1 d G U . . .
H02W H 0.467945 0.210811 0.899099 0.065 Uiso 1 1 calc R . . . .
C02V C 0.7319(4) 0.4168(6) 0.5854(4) 0.056(4) Uani 1 1 d . U . . .
H02V H 0.790293 0.415926 0.590935 0.067 Uiso 1 1 calc R . . . .
C02U C 0.6811(5) 0.4808(5) 0.5981(3) 0.053(4) Uani 1 1 d G U . . .
H02U H 0.704701 0.523651 0.612420 0.064 Uiso 1 1 calc R . . . .
C01I C 0.5957(5) 0.4821(4) 0.5900(3) 0.031(3) Uani 1 1 d G U . . .
C018 C 0.5611(4) 0.4195(5) 0.5691(3) 0.040(3) Uani 1 1 d G U . . .
H018 H 0.502781 0.420370 0.563499 0.048 Uiso 1 1 calc R . . . .
C01Z C 0.6120(6) 0.3555(4) 0.5563(3) 0.046(3) Uani 1 1 d G U . . .
H01Z H 0.588371 0.312645 0.542014 0.055 Uiso 1 1 calc R . . . .
C02I C 0.6974(5) 0.3542(5) 0.5645(3) 0.059(4) Uani 1 1 d G U . . .
H02I H 0.732127 0.310421 0.555731 0.071 Uiso 1 1 calc R . . . .
C02X C 0.4325(6) 0.6922(6) 0.9880(3) 0.057(4) Uani 1 1 d . U . . .
H02X H 0.381418 0.695650 1.004321 0.069 Uiso 1 1 calc R . . . .
C02D C 0.4461(5) 0.6317(5) 0.9588(3) 0.050(4) Uani 1 1 d G U . . .
H02D H 0.404387 0.593856 0.955053 0.060 Uiso 1 1 calc R . . . .
C025 C 0.5209(6) 0.6266(5) 0.9349(3) 0.041(3) Uani 1 1 d G U . . .
C039 C 0.5819(5) 0.6820(6) 0.9404(3) 0.059(4) Uani 1 1 d G U . . .
H039 H 0.633017 0.678542 0.924060 0.071 Uiso 1 1 calc R . . . .
C03S C 0.5683(7) 0.7425(6) 0.9696(4) 0.067(5) Uani 1 1 d G U . . .
H03S H 0.610049 0.780337 0.973328 0.081 Uiso 1 1 calc R . . . .
C03A C 0.4936(7) 0.7476(6) 0.9935(3) 0.064(4) Uani 1 1 d G U . . .
H03A H 0.484250 0.788892 1.013459 0.076 Uiso 1 1 calc R . . . .
C035 C 0.2857(10) 0.9594(9) 0.6893(6) 0.051(4) Uani 1 1 d . U . . .
H035 H 0.303783 0.991499 0.664233 0.062 Uiso 1 1 calc R . . . .
C036 C 0.5442(7) 0.2608(5) 0.6481(3) 0.056(4) Uani 1 1 d . U . . .
H036 H 0.567455 0.220095 0.630484 0.067 Uiso 1 1 calc R . . . .
C03H C 0.4638(7) 0.2920(6) 0.6397(3) 0.064(5) Uani 1 1 d G U . . .
H03H H 0.432199 0.272745 0.616349 0.077 Uiso 1 1 calc R . . . .
C03B C 0.4297(5) 0.3516(6) 0.6655(4) 0.062(4) Uani 1 1 d G U . . .
H03B H 0.374813 0.372931 0.659749 0.075 Uiso 1 1 calc R . . . .
C01N C 0.4760(6) 0.3798(5) 0.6997(3) 0.054(4) Uani 1 1 d G U . . .
H01N H 0.452682 0.420469 0.717285 0.064 Uiso 1 1 calc R . . . .
C00Z C 0.5563(6) 0.3485(5) 0.7081(3) 0.038(3) Uani 1 1 d G U . . .
C011 C 0.5904(5) 0.2890(5) 0.6823(3) 0.048(4) Uani 1 1 d G U . . .
H011 H 0.645325 0.267633 0.688022 0.057 Uiso 1 1 calc R . . . .
C03F C 0.7882(6) 1.0663(6) 0.8685(3) 0.064(5) Uani 1 1 d . U . . .
H03F H 0.817770 1.083238 0.893279 0.077 Uiso 1 1 calc R . . . .
C02O C 0.8267(5) 1.0132(6) 0.8402(3) 0.057(4) Uani 1 1 d G U . . .
H02O H 0.882465 0.993977 0.845481 0.068 Uiso 1 1 calc R . . . .
C01V C 0.7834(5) 0.9884(5) 0.8040(3) 0.047(3) Uani 1 1 d G U . . .
C016 C 0.7018(5) 1.0166(5) 0.7962(3) 0.038(3) Uani 1 1 d G U . . .
C01H C 0.6634(5) 1.0696(5) 0.8246(3) 0.040(3) Uani 1 1 d G U . . .
H01H H 0.607557 1.088842 0.819223 0.048 Uiso 1 1 calc R . . . .
C02L C 0.7066(6) 1.0944(5) 0.8607(3) 0.054(4) Uani 1 1 d G U . . .
H02L H 0.680314 1.130670 0.880150 0.065 Uiso 1 1 calc R . . . .
C2 C 1.1209(5) 0.6688(8) 0.6984(4) 0.077(6) Uani 1 1 d . U . . .
H2 H 1.175869 0.653034 0.707741 0.093 Uiso 1 1 calc R . . . .
C03V C 1.0933(7) 0.6491(7) 0.6570(4) 0.070(5) Uani 1 1 d G U . . .
H03V H 1.129508 0.619990 0.637990 0.084 Uiso 1 1 calc R . . . .
C033 C 1.0129(7) 0.6721(7) 0.6433(3) 0.063(5) Uani 1 1 d G U . . .
H033 H 0.994054 0.658703 0.614959 0.076 Uiso 1 1 calc R . . . .
C022 C 0.9600(5) 0.7147(6) 0.6710(3) 0.052(4) Uani 1 1 d G U . . .
H022 H 0.904959 0.730459 0.661677 0.062 Uiso 1 1 calc R . . . .
C028 C 0.9875(6) 0.7344(6) 0.7125(3) 0.044(3) Uani 1 1 d G U . . .
C03Q C 1.0680(6) 0.7114(7) 0.7261(3) 0.066(5) Uani 1 1 d G U . . .
H03Q H 1.086773 0.724791 0.754461 0.079 Uiso 1 1 calc R . . . .
C4 C 0.2363(14) 0.8616(13) 0.7661(7) 0.078(6) Uani 1 1 d . U . . .
H4 H 0.221785 0.828562 0.791477 0.094 Uiso 1 1 calc R . . . .
C33 C 0.1961(15) 0.9372(14) 0.7587(8) 0.088(6) Uani 1 1 d . U . . .
H33 H 0.155624 0.957533 0.778888 0.105 Uiso 1 1 calc R . . . .
C127 C 0.2215(12) 0.9845(12) 0.7163(7) 0.071(5) Uani 1 1 d . U . . .
H127 H 0.191841 1.033292 0.708358 0.085 Uiso 1 1 calc R . . . .
C0AA C 0.4043(7) 0.4844(7) 0.8568(3) 0.062(4) Uani 1 1 d . U . . .
H0AA H 0.418393 0.515098 0.830501 0.075 Uiso 1 1 calc R . . . .
C63 C 0.3354(7) 0.4361(8) 0.8574(3) 0.077(6) Uani 1 1 d G U . . .
H63 H 0.302476 0.433886 0.831494 0.093 Uiso 1 1 calc R . . . .
C109 C 0.3148(6) 0.3911(7) 0.8959(4) 0.073(5) Uani 1 1 d G U . . .
H109 H 0.267702 0.358153 0.896266 0.087 Uiso 1 1 calc R . . . .
C54 C 0.3630(7) 0.3944(6) 0.9337(3) 0.062(4) Uani 1 1 d G U . . .
H54 H 0.348844 0.363631 0.960046 0.074 Uiso 1 1 calc R . . . .
C01W C 0.4318(6) 0.4426(6) 0.9332(3) 0.046(3) Uani 1 1 d G U . . .
H01W H 0.464760 0.444842 0.959054 0.055 Uiso 1 1 calc R . . . .
C01S C 0.4525(5) 0.4876(5) 0.8947(3) 0.037(3) Uani 1 1 d G U . . .
C1 C 0.7635(9) 0.7562(7) 0.5646(4) 0.050(4) Uani 1 1 d D U . . .
C2AA C 0.7930(10) 0.6801(7) 0.5790(5) 0.059(4) Uani 1 1 d D U . . .
H2AA H 0.785579 0.662364 0.609256 0.071 Uiso 1 1 calc R . . . .
C3 C 0.7787(10) 0.7798(9) 0.5203(4) 0.075(5) Uani 1 1 d D U . . .
H3 H 0.760264 0.831491 0.509081 0.090 Uiso 1 1 calc R . . . .
N6 N 0.8474(10) 0.6568(9) 0.5086(4) 0.087(6) Uani 1 1 d D . . . .
C11 C 0.8207(11) 0.7280(8) 0.4925(5) 0.077(6) Uani 1 1 d D U . . .
H11 H 0.830142 0.743836 0.462137 0.092 Uiso 1 1 calc R . . . .
C1AA C 0.8332(12) 0.6295(9) 0.5499(4) 0.072(5) Uani 1 1 d D U . . .
H1AA H 0.850087 0.576420 0.559450 0.087 Uiso 1 1 calc R . . . .
C6 C 1.0227(7) 0.4944(9) 0.7546(4) 0.0587(9) Uani 1 1 d D U . . .
H6 H 1.030362 0.507419 0.784566 0.070 Uiso 1 1 calc R . . . .
C3AA C 0.9441(7) 0.5076(8) 0.6888(3) 0.0585(9) Uani 1 1 d D U . . .
C32 C 0.9512(7) 0.5251(8) 0.7331(3) 0.0585(9) Uani 1 1 d D U . . .
H32 H 0.909646 0.556284 0.747753 0.070 Uiso 1 1 calc R . . . .
C40 C 1.0770(7) 0.4417(9) 0.6931(3) 0.0588(9) Uani 1 1 d D U . . .
H40 H 1.125128 0.420912 0.678230 0.071 Uiso 1 1 calc R . . . .
N42 N 1.0808(7) 0.4483(8) 0.7364(3) 0.0589(9) Uani 1 1 d D U . . .
C4AA C 1.0066(7) 0.4632(8) 0.6679(4) 0.0585(9) Uani 1 1 d D U . . .
H4AA H 1.001544 0.448501 0.638103 0.070 Uiso 1 1 calc R . . . .
C7 C 0.8153(15) 0.6407(11) 0.9392(5) 0.125(4) Uani 1 1 d D U . . .
H7 H 0.783074 0.687121 0.946282 0.150 Uiso 1 1 calc R . . . .
C38 C 0.8491(7) 0.5429(7) 0.8859(4) 0.118(3) Uani 1 1 d D U . . .
C44 C 0.8044(12) 0.6150(9) 0.8956(4) 0.119(3) Uani 1 1 d D U . . .
H44 H 0.769744 0.643967 0.874408 0.143 Uiso 1 1 calc R . . . .
N55 N 0.8645(14) 0.6089(12) 0.9720(6) 0.127(4) Uani 1 1 d D U . . .
C76 C 0.8998(12) 0.5036(10) 0.9195(4) 0.118(3) Uani 1 1 d D U . . .
H76 H 0.929742 0.454717 0.914710 0.141 Uiso 1 1 calc R . . . .
C138 C 0.9033(15) 0.5407(12) 0.9601(5) 0.127(4) Uani 1 1 d D U . . .
H138 H 0.937816 0.513922 0.982102 0.152 Uiso 1 1 calc R . . . .
N37 N 0.5564(14) 0.9799(13) 0.9443(8) 0.133(4) Uani 1 1 d D U . . .
C5AA C 0.6761(9) 0.8789(11) 0.9026(5) 0.126(3) Uani 1 1 d D U . . .
C68 C 0.5367(10) 0.9381(15) 0.9093(8) 0.132(4) Uani 1 1 d D U . . .
H68 H 0.480343 0.940878 0.899562 0.158 Uiso 1 1 calc R . . . .
C70 C 0.5947(9) 0.8910(13) 0.8864(6) 0.126(3) Uani 1 1 d D U . . .
H70 H 0.579076 0.867327 0.859952 0.152 Uiso 1 1 calc R . . . .
C108 C 0.6942(11) 0.9173(12) 0.9414(6) 0.127(3) Uani 1 1 d D U . . .
H108 H 0.748648 0.911628 0.953742 0.152 Uiso 1 1 calc R . . . .
C114 C 0.6323(13) 0.9637(15) 0.9618(7) 0.133(4) Uani 1 1 d D U . . .
H114 H 0.644560 0.984941 0.989413 0.159 Uiso 1 1 calc R . . . .
N9AA N 0.2196(10) 0.6635(9) 0.9011(5) 0.084(3) Uani 1 1 d D U . . .
C6AA C 0.3452(9) 0.7668(8) 0.8667(4) 0.075(3) Uani 1 1 d D U . . .
C8AA C 0.2629(9) 0.6495(8) 0.8640(5) 0.080(3) Uani 1 1 d D U . . .
H8AA H 0.250688 0.602914 0.849041 0.095 Uiso 1 1 calc R . . . .
C0BA C 0.3026(10) 0.7809(9) 0.9064(5) 0.077(3) Uani 1 1 d D U . . .
H0BA H 0.315384 0.825591 0.922862 0.092 Uiso 1 1 calc R . . . .
C7AA C 0.3253(9) 0.6986(7) 0.8454(4) 0.079(3) Uani 1 1 d D U . . .
H7AA H 0.353400 0.685373 0.818696 0.095 Uiso 1 1 calc R . . . .
C8 C 0.2411(10) 0.7286(10) 0.9218(5) 0.083(3) Uani 1 1 d D U . . .
H8 H 0.212522 0.739893 0.948660 0.099 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 2.7292(8) . ?
Au01 Au03 2.7379(7) . ?
Au01 Au04 2.7356(7) . ?
Au01 Au05 2.7424(8) . ?
Au01 Au06 2.7383(8) . ?
Au01 Au07 2.7509(9) . ?
Au01 Au08 2.7754(8) . ?
Au01 Au09 2.7683(8) . ?
Au01 Au0A 2.7706(9) . ?
Au01 Au0B 2.8003(9) . ?
Au01 Au0C 2.7706(9) . ?
Au01 Ag0D 2.7946(10) . ?
Au02 Au03 2.8908(8) . ?
Au02 Au05 2.9205(8) . ?
Au02 Au08 2.9403(9) . ?
Au02 Au0A 2.9010(9) . ?
Au02 Ag0D 2.8733(10) . ?
Au02 P00G 2.297(3) . ?
Au03 Au07 2.8658(8) . ?
Au03 Au08 2.9384(9) . ?
Au03 Au0A 2.9094(9) . ?
Au03 Au0B 2.8853(9) . ?
Au03 P00E 2.289(3) . ?
Au04 Au05 2.8941(8) . ?
Au04 Au06 2.8653(8) . ?
Au04 Au09 2.9075(10) . ?
Au04 Au0C 2.9560(10) . ?
Au04 Ag0D 2.8794(10) . ?
Au04 P00H 2.295(3) . ?
Au05 Au08 2.8858(9) . ?
Au05 Au0C 2.9486(10) . ?
Au05 Ag0D 2.9357(10) . ?
Au05 P00F 2.307(3) . ?
Au06 Au09 2.8646(10) . ?
Au06 Au0A 2.8294(9) . ?
Au06 Au0B 2.9003(10) . ?
Au06 Ag0D 2.9339(11) . ?
Au06 P00I 2.285(3) . ?
Au07 Au08 2.9084(9) . ?
Au07 Au09 2.9269(9) . ?
Au07 Au0B 2.8675(10) . ?
Au07 Au0C 2.8726(10) . ?
Au07 P00J 2.291(4) . ?
Au08 Au0C 2.9410(10) . ?
Au08 S00L 2.364(4) . ?
Au09 Au0B 2.8845(10) . ?
Au09 Au0C 2.8724(10) . ?
Au09 S00O 2.349(4) . ?
Au0A Au0B 2.9362(11) . ?
Au0A Ag0D 2.9166(11) . ?
Au0A S00N 2.362(4) . ?
Au0B S00P 2.345(5) . ?
Au0C S00K 2.368(4) . ?
Ag0D Cl00 2.408(4) . ?
P00E C00T 1.831(7) . ?
P00E C01L 1.824(7) . ?
P00E C016 1.837(7) . ?
P00F C01A 1.853(6) . ?
P00F C015 1.803(7) . ?
P00F C01I 1.821(6) . ?
P00G C01P 1.834(7) . ?
P00G C013 1.831(8) . ?
P00G C029 1.862(16) . ?
P00H C00U 1.828(8) . ?
P00H C012 1.823(7) . ?
P00H C00Z 1.823(7) . ?
P00I C01Y 1.838(7) . ?
P00I C025 1.827(8) . ?
P00I C01S 1.815(8) . ?
P00J C01G 1.829(7) . ?
P00J C01R 1.821(9) . ?
P00J C028 1.835(8) . ?
S00K C3AA 1.731(12) . ?
S00L C1 1.716(13) . ?
S00N C6AA 1.648(10) . ?
S00O C38 1.600(10) . ?
S00P C5AA 1.625(11) . ?
O00Q C026 1.389(11) . ?
O00Q C00X 1.383(11) . ?
O00R C00Y 1.375(12) . ?
O00R C014 1.400(11) . ?
O00S C024 1.402(12) . ?
O00S C01V 1.379(11) . ?
C00U C01E 1.3900 . ?
C00U C01K 1.3900 . ?
C01E C03L 1.3900 . ?
C03L C03U 1.3900 . ?
C03U C03W 1.3900 . ?
C03W C01K 1.3900 . ?
C00W C00T 1.3900 . ?
C00W C02G 1.3900 . ?
C00T C00V 1.3900 . ?
C00V C032 1.3900 . ?
C032 C02Y 1.3900 . ?
C02Y C02G 1.3900 . ?
C00Y C01M 1.3900 . ?
C00Y C01P 1.3900 . ?
C01M C02E 1.3900 . ?
C02E C02S 1.3900 . ?
C02S C02B 1.3900 . ?
C02B C01P 1.3900 . ?
C010 C01J 1.3900 . ?
C010 C01L 1.3900 . ?
C01J C031 1.3900 . ?
C031 C034 1.3900 . ?
C034 C02P 1.3900 . ?
C02P C01L 1.3900 . ?
C013 C01D 1.3900 . ?
C013 C03D 1.3900 . ?
C01D C030 1.3900 . ?
C030 C53 1.3900 . ?
C53 C69 1.3900 . ?
C69 C03D 1.3900 . ?
C01A C01B 1.3900 . ?
C01A C014 1.3900 . ?
C01B C020 1.3900 . ?
C020 C02A 1.3900 . ?
C02A C01T 1.3900 . ?
C01T C014 1.3900 . ?
C01F C029 1.39(2) . ?
C01F C4 1.41(3) . ?
C01G C019 1.3900 . ?
C01G C024 1.3900 . ?
C019 C03P 1.3900 . ?
C03P C03E 1.3900 . ?
C03E C02K 1.3900 . ?
C02K C024 1.3900 . ?
C01O C02F 1.3900 . ?
C01O C01C 1.3900 . ?
C02F C027 1.3900 . ?
C027 C01Q 1.3900 . ?
C01Q C015 1.3900 . ?
C015 C01C 1.3900 . ?
C023 C03M 1.3900 . ?
C023 C01Y 1.3900 . ?
C03M C02N 1.3900 . ?
C02N C02H 1.3900 . ?
C02H C026 1.3900 . ?
C026 C01Y 1.3900 . ?
C029 C035 1.40(2) . ?
C02C C01R 1.3900 . ?
C02C C18 1.3900 . ?
C01R C02R 1.3900 . ?
C02R C22 1.3900 . ?
C22 C5 1.3900 . ?
C5 C18 1.3900 . ?
C02M C02J 1.3900 . ?
C02M C02W 1.3900 . ?
C02J C012 1.3900 . ?
C012 C00X 1.3900 . ?
C00X C01X 1.3900 . ?
C01X C02W 1.3900 . ?
C02V C02U 1.3900 . ?
C02V C02I 1.3900 . ?
C02U C01I 1.3900 . ?
C01I C018 1.3900 . ?
C018 C01Z 1.3900 . ?
C01Z C02I 1.3900 . ?
C02X C02D 1.3900 . ?
C02X C03A 1.3900 . ?
C02D C025 1.3900 . ?
C025 C039 1.3900 . ?
C039 C03S 1.3900 . ?
C03S C03A 1.3900 . ?
C035 C127 1.37(2) . ?
C036 C03H 1.3900 . ?
C036 C011 1.3900 . ?
C03H C03B 1.3900 . ?
C03B C01N 1.3900 . ?
C01N C00Z 1.3900 . ?
C00Z C011 1.3900 . ?
C03F C02O 1.3900 . ?
C03F C02L 1.3900 . ?
C02O C01V 1.3900 . ?
C01V C016 1.3900 . ?
C016 C01H 1.3900 . ?
C01H C02L 1.3900 . ?
C2 C03V 1.3900 . ?
C2 C03Q 1.3900 . ?
C03V C033 1.3900 . ?
C033 C022 1.3900 . ?
C022 C028 1.3900 . ?
C028 C03Q 1.3900 . ?
C4 C33 1.41(3) . ?
C33 C127 1.52(3) . ?
C0AA C63 1.3900 . ?
C0AA C01S 1.3900 . ?
C63 C109 1.3900 . ?
C109 C54 1.3900 . ?
C54 C01W 1.3900 . ?
C01W C01S 1.3900 . ?
C1 C2AA 1.3901(11) . ?
C1 C3 1.3900(11) . ?
C2AA C1AA 1.3900(11) . ?
C3 C11 1.3900(11) . ?
N6 C11 1.3200(11) . ?
N6 C1AA 1.3200(11) . ?
C6 C32 1.3899(11) . ?
C6 N42 1.3201(11) . ?
C3AA C32 1.3901(11) . ?
C3AA C4AA 1.3901(11) . ?
C40 N42 1.3201(11) . ?
C40 C4AA 1.3901(11) . ?
C7 C44 1.421(9) . ?
C7 N55 1.342(10) . ?
C38 C44 1.424(9) . ?
C38 C76 1.419(9) . ?
N55 C138 1.343(10) . ?
C76 C138 1.407(9) . ?
N37 C68 1.346(10) . ?
N37 C114 1.342(10) . ?
C5AA C70 1.400(9) . ?
C5AA C108 1.403(9) . ?
C68 C70 1.397(9) . ?
C108 C114 1.394(9) . ?
N9AA C8AA 1.335(9) . ?
N9AA C8 1.346(9) . ?
C6AA C0BA 1.398(9) . ?
C6AA C7AA 1.390(9) . ?
C8AA C7AA 1.410(9) . ?
C0BA C8 1.400(9) . ?

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 Au03 63.84(2) . . ?
Au02 Au01 Au04 116.27(2) . . ?
Au02 Au01 Au05 64.52(2) . . ?
Au02 Au01 Au06 115.69(2) . . ?
Au02 Au01 Au07 116.88(2) . . ?
Au02 Au01 Au08 64.57(2) . . ?
Au02 Au01 Au09 178.27(2) . . ?
Au02 Au01 Au0A 63.66(2) . . ?
Au02 Au01 Au0B 116.54(3) . . ?
Au02 Au01 Au0C 119.20(3) . . ?
Au02 Au01 Ag0D 62.67(2) . . ?
Au03 Au01 Au05 117.43(2) . . ?
Au03 Au01 Au06 115.11(2) . . ?
Au03 Au01 Au07 62.95(2) . . ?
Au03 Au01 Au08 64.41(2) . . ?
Au03 Au01 Au09 116.05(3) . . ?
Au03 Au01 Au0A 63.76(2) . . ?
Au03 Au01 Au0B 62.78(2) . . ?
Au03 Au01 Au0C 116.71(3) . . ?
Au03 Au01 Ag0D 116.32(3) . . ?
Au04 Au01 Au03 178.18(2) . . ?
Au04 Au01 Au05 63.78(2) . . ?
Au04 Au01 Au06 63.13(2) . . ?
Au04 Au01 Au07 117.98(2) . . ?
Au04 Au01 Au08 117.36(2) . . ?
Au04 Au01 Au09 63.77(2) . . ?
Au04 Au01 Au0A 114.55(3) . . ?
Au04 Au01 Au0B 116.05(3) . . ?
Au04 Au01 Au0C 64.94(2) . . ?
Au04 Au01 Ag0D 62.74(2) . . ?
Au05 Au01 Au07 116.45(2) . . ?
Au05 Au01 Au08 63.06(2) . . ?
Au05 Au01 Au09 116.58(2) . . ?
Au05 Au01 Au0A 117.88(3) . . ?
Au05 Au01 Au0B 178.49(3) . . ?
Au05 Au01 Au0C 64.66(2) . . ?
Au05 Au01 Ag0D 64.03(3) . . ?
Au06 Au01 Au05 117.58(2) . . ?
Au06 Au01 Au07 115.93(2) . . ?
Au06 Au01 Au08 179.35(3) . . ?
Au06 Au01 Au09 62.69(2) . . ?
Au06 Au01 Au0A 61.81(2) . . ?
Au06 Au01 Au0B 63.14(2) . . ?
Au06 Au01 Au0C 116.07(2) . . ?
Au06 Au01 Ag0D 64.04(3) . . ?
Au07 Au01 Au08 63.51(2) . . ?
Au07 Au01 Au09 64.05(2) . . ?
Au07 Au01 Au0A 116.05(3) . . ?
Au07 Au01 Au0B 62.20(2) . . ?
Au07 Au01 Au0C 62.70(2) . . ?
Au07 Au01 Ag0D 179.22(3) . . ?
Au08 Au01 Au0B 116.21(3) . . ?
Au08 Au01 Ag0D 116.52(3) . . ?
Au09 Au01 Au08 117.05(3) . . ?
Au09 Au01 Au0A 114.66(3) . . ?
Au09 Au01 Au0B 62.39(2) . . ?
Au09 Au01 Au0C 62.48(2) . . ?
Au09 Au01 Ag0D 116.38(3) . . ?
Au0A Au01 Au08 118.05(2) . . ?
Au0A Au01 Au0B 63.61(3) . . ?
Au0A Au01 Au0C 177.11(3) . . ?
Au0A Au01 Ag0D 63.21(3) . . ?
Au0C Au01 Au08 64.05(2) . . ?
Au0C Au01 Au0B 113.85(3) . . ?
Au0C Au01 Ag0D 118.05(3) . . ?
Ag0D Au01 Au0B 117.33(3) . . ?
Au01 Au02 Au03 58.22(2) . . ?
Au01 Au02 Au05 57.960(19) . . ?
Au01 Au02 Au08 58.48(2) . . ?
Au01 Au02 Au0A 58.86(2) . . ?
Au01 Au02 Ag0D 59.78(2) . . ?
Au03 Au02 Au05 107.39(2) . . ?
Au03 Au02 Au08 60.51(2) . . ?
Au03 Au02 Au0A 60.31(2) . . ?
Au05 Au02 Au08 59.00(2) . . ?
Au0A Au02 Au05 108.43(2) . . ?
Au0A Au02 Au08 108.99(3) . . ?
Ag0D Au02 Au03 109.25(3) . . ?
Ag0D Au02 Au05 60.88(2) . . ?
Ag0D Au02 Au08 109.13(3) . . ?
Ag0D Au02 Au0A 60.67(2) . . ?
P00G Au02 Au01 179.08(9) . . ?
P00G Au02 Au03 121.65(9) . . ?
P00G Au02 Au05 122.68(8) . . ?
P00G Au02 Au08 122.36(9) . . ?
P00G Au02 Au0A 120.23(9) . . ?
P00G Au02 Ag0D 119.78(9) . . ?
Au01 Au03 Au02 57.932(19) . . ?
Au01 Au03 Au07 58.75(2) . . ?
Au01 Au03 Au08 58.42(2) . . ?
Au01 Au03 Au0A 58.67(2) . . ?
Au01 Au03 Au0B 59.67(2) . . ?
Au02 Au03 Au08 60.58(2) . . ?
Au02 Au03 Au0A 60.02(2) . . ?
Au07 Au03 Au02 108.42(2) . . ?
Au07 Au03 Au08 60.13(2) . . ?
Au07 Au03 Au0A 108.39(2) . . ?
Au07 Au03 Au0B 59.81(2) . . ?
Au0A Au03 Au08 108.81(2) . . ?
Au0B Au03 Au02 109.03(3) . . ?
Au0B Au03 Au08 108.75(2) . . ?
Au0B Au03 Au0A 60.89(2) . . ?
P00E Au03 Au01 176.84(9) . . ?
P00E Au03 Au02 124.26(9) . . ?
P00E Au03 Au07 120.68(9) . . ?
P00E Au03 Au08 124.37(9) . . ?
P00E Au03 Au0A 119.84(9) . . ?
P00E Au03 Au0B 117.22(9) . . ?
Au01 Au04 Au05 58.222(19) . . ?
Au01 Au04 Au06 58.482(19) . . ?
Au01 Au04 Au09 58.66(2) . . ?
Au01 Au04 Au0C 58.10(2) . . ?
Au01 Au04 Ag0D 59.63(2) . . ?
Au05 Au04 Au09 107.81(2) . . ?
Au05 Au04 Au0C 60.52(2) . . ?
Au06 Au04 Au05 108.95(2) . . ?
Au06 Au04 Au09 59.50(2) . . ?
Au06 Au04 Au0C 106.79(3) . . ?
Au06 Au04 Ag0D 61.42(2) . . ?
Au09 Au04 Au0C 58.66(2) . . ?
Ag0D Au04 Au05 61.12(2) . . ?
Ag0D Au04 Au09 109.55(3) . . ?
Ag0D Au04 Au0C 109.70(3) . . ?
P00H Au04 Au01 177.44(10) . . ?
P00H Au04 Au05 123.25(9) . . ?
P00H Au04 Au06 121.41(9) . . ?
P00H Au04 Au09 118.89(9) . . ?
P00H Au04 Au0C 120.33(9) . . ?
P00H Au04 Ag0D 122.80(10) . . ?
Au01 Au05 Au02 57.523(18) . . ?
Au01 Au05 Au04 57.994(19) . . ?
Au01 Au05 Au08 59.03(2) . . ?
Au01 Au05 Au0C 58.13(2) . . ?
Au01 Au05 Ag0D 58.85(2) . . ?
Au02 Au05 Au0C 107.85(3) . . ?
Au02 Au05 Ag0D 58.76(2) . . ?
Au04 Au05 Au02 105.92(2) . . ?
Au04 Au05 Au0C 60.78(2) . . ?
Au04 Au05 Ag0D 59.19(2) . . ?
Au08 Au05 Au02 60.84(2) . . ?
Au08 Au05 Au04 109.09(3) . . ?
Au08 Au05 Au0C 60.53(2) . . ?
Au08 Au05 Ag0D 108.92(3) . . ?
Ag0D Au05 Au0C 108.37(3) . . ?
P00F Au05 Au01 175.16(8) . . ?
P00F Au05 Au02 119.47(8) . . ?
P00F Au05 Au04 126.69(8) . . ?
P00F Au05 Au08 116.42(8) . . ?
P00F Au05 Au0C 121.97(8) . . ?
P00F Au05 Ag0D 123.71(9) . . ?
Au01 Au06 Au04 58.391(19) . . ?
Au01 Au06 Au09 59.17(2) . . ?
Au01 Au06 Au0A 59.66(2) . . ?
Au01 Au06 Au0B 59.47(2) . . ?
Au01 Au06 Ag0D 58.91(2) . . ?
Au04 Au06 Au0B 109.07(3) . . ?
Au04 Au06 Ag0D 59.53(2) . . ?
Au09 Au06 Au04 60.99(2) . . ?
Au09 Au06 Au0B 60.04(2) . . ?
Au09 Au06 Ag0D 109.22(3) . . ?
Au0A Au06 Au04 108.87(2) . . ?
Au0A Au06 Au09 109.94(3) . . ?
Au0A Au06 Au0B 61.64(2) . . ?
Au0A Au06 Ag0D 60.77(3) . . ?
Au0B Au06 Ag0D 109.99(3) . . ?
P00I Au06 Au01 177.63(10) . . ?
P00I Au06 Au04 121.04(9) . . ?
P00I Au06 Au09 118.47(10) . . ?
P00I Au06 Au0A 122.15(9) . . ?
P00I Au06 Au0B 119.58(10) . . ?
P00I Au06 Ag0D 123.09(10) . . ?
Au01 Au07 Au03 58.30(2) . . ?
Au01 Au07 Au08 58.66(2) . . ?
Au01 Au07 Au09 58.26(2) . . ?
Au01 Au07 Au0B 59.75(2) . . ?
Au01 Au07 Au0C 58.99(2) . . ?
Au03 Au07 Au08 61.17(2) . . ?
Au03 Au07 Au09 107.48(3) . . ?
Au03 Au07 Au0B 60.43(2) . . ?
Au03 Au07 Au0C 109.61(3) . . ?
Au08 Au07 Au09 108.24(3) . . ?
Au0B Au07 Au08 110.09(3) . . ?
Au0B Au07 Au09 59.70(2) . . ?
Au0B Au07 Au0C 108.83(3) . . ?
Au0C Au07 Au08 61.15(2) . . ?
Au0C Au07 Au09 59.37(2) . . ?
P00J Au07 Au01 176.70(10) . . ?
P00J Au07 Au03 121.52(9) . . ?
P00J Au07 Au08 124.47(10) . . ?
P00J Au07 Au09 119.79(9) . . ?
P00J Au07 Au0B 117.08(10) . . ?
P00J Au07 Au0C 122.90(10) . . ?
Au01 Au08 Au02 56.96(2) . . ?
Au01 Au08 Au03 57.18(2) . . ?
Au01 Au08 Au05 57.91(2) . . ?
Au01 Au08 Au07 57.84(2) . . ?
Au01 Au08 Au0C 57.89(2) . . ?
Au02 Au08 Au0C 107.53(3) . . ?
Au03 Au08 Au02 58.91(2) . . ?
Au03 Au08 Au0C 105.81(3) . . ?
Au05 Au08 Au02 60.16(2) . . ?
Au05 Au08 Au03 107.05(3) . . ?
Au05 Au08 Au07 107.41(3) . . ?
Au05 Au08 Au0C 60.79(2) . . ?
Au07 Au08 Au02 105.95(3) . . ?
Au07 Au08 Au03 58.70(2) . . ?
Au07 Au08 Au0C 58.82(2) . . ?
S00L Au08 Au01 174.14(11) . . ?
S00L Au08 Au02 117.19(11) . . ?
S00L Au08 Au03 120.99(10) . . ?
S00L Au08 Au05 120.04(10) . . ?
S00L Au08 Au07 126.87(11) . . ?
S00L Au08 Au0C 126.80(10) . . ?
Au01 Au09 Au04 57.57(2) . . ?
Au01 Au09 Au06 58.14(2) . . ?
Au01 Au09 Au07 57.68(2) . . ?
Au01 Au09 Au0B 59.35(2) . . ?
Au01 Au09 Au0C 58.80(2) . . ?
Au04 Au09 Au07 107.41(3) . . ?
Au06 Au09 Au04 59.52(2) . . ?
Au06 Au09 Au07 106.92(3) . . ?
Au06 Au09 Au0B 60.59(2) . . ?
Au06 Au09 Au0C 109.10(3) . . ?
Au0B Au09 Au04 108.34(3) . . ?
Au0B Au09 Au07 59.13(2) . . ?
Au0C Au09 Au04 61.51(2) . . ?
Au0C Au09 Au07 59.38(2) . . ?
Au0C Au09 Au0B 108.37(3) . . ?
S00O Au09 Au01 173.73(15) . . ?
S00O Au09 Au04 116.20(15) . . ?
S00O Au09 Au06 119.06(14) . . ?
S00O Au09 Au07 127.79(15) . . ?
S00O Au09 Au0B 125.18(15) . . ?
S00O Au09 Au0C 119.97(14) . . ?
Au01 Au0A Au02 57.47(2) . . ?
Au01 Au0A Au03 57.57(2) . . ?
Au01 Au0A Au06 58.54(2) . . ?
Au01 Au0A Au0B 58.69(2) . . ?
Au01 Au0A Ag0D 58.80(2) . . ?
Au02 Au0A Au03 59.67(2) . . ?
Au02 Au0A Au0B 107.36(3) . . ?
Au02 Au0A Ag0D 59.19(2) . . ?
Au03 Au0A Au0B 59.15(2) . . ?
Au03 Au0A Ag0D 107.56(3) . . ?
Au06 Au0A Au02 107.75(3) . . ?
Au06 Au0A Au03 107.27(3) . . ?
Au06 Au0A Au0B 60.37(2) . . ?
Au06 Au0A Ag0D 61.39(2) . . ?
Ag0D Au0A Au0B 109.48(3) . . ?
S00N Au0A Au01 172.44(12) . . ?
S00N Au0A Au02 130.04(12) . . ?
S00N Au0A Au03 123.64(11) . . ?
S00N Au0A Au06 115.69(11) . . ?
S00N Au0A Au0B 114.74(13) . . ?
S00N Au0A Ag0D 124.13(12) . . ?
Au01 Au0B Au03 57.55(2) . . ?
Au01 Au0B Au06 57.38(2) . . ?
Au01 Au0B Au07 58.06(2) . . ?
Au01 Au0B Au09 58.26(2) . . ?
Au01 Au0B Au0A 57.70(2) . . ?
Au03 Au0B Au06 106.02(3) . . ?
Au03 Au0B Au0A 59.96(2) . . ?
Au06 Au0B Au0A 57.99(2) . . ?
Au07 Au0B Au03 59.75(2) . . ?
Au07 Au0B Au06 107.56(3) . . ?
Au07 Au0B Au09 61.17(2) . . ?
Au07 Au0B Au0A 107.61(3) . . ?
Au09 Au0B Au03 108.10(3) . . ?
Au09 Au0B Au06 59.36(2) . . ?
Au09 Au0B Au0A 106.46(3) . . ?
S00P Au0B Au01 171.76(16) . . ?
S00P Au0B Au03 116.14(15) . . ?
S00P Au0B Au06 130.83(16) . . ?
S00P Au0B Au07 114.77(18) . . ?
S00P Au0B Au09 123.40(18) . . ?
S00P Au0B Au0A 125.33(19) . . ?
Au01 Au0C Au04 56.96(2) . . ?
Au01 Au0C Au05 57.21(2) . . ?
Au01 Au0C Au07 58.32(2) . . ?
Au01 Au0C Au08 58.06(2) . . ?
Au01 Au0C Au09 58.72(2) . . ?
Au05 Au0C Au04 58.70(2) . . ?
Au07 Au0C Au04 107.56(3) . . ?
Au07 Au0C Au05 106.68(3) . . ?
Au07 Au0C Au08 60.02(2) . . ?
Au08 Au0C Au04 105.95(3) . . ?
Au08 Au0C Au05 58.68(2) . . ?
Au09 Au0C Au04 59.83(2) . . ?
Au09 Au0C Au05 107.28(3) . . ?
Au09 Au0C Au07 61.26(2) . . ?
Au09 Au0C Au08 108.84(3) . . ?
S00K Au0C Au01 177.11(11) . . ?
S00K Au0C Au04 124.27(11) . . ?
S00K Au0C Au05 120.71(12) . . ?
S00K Au0C Au07 122.07(12) . . ?
S00K Au0C Au08 119.34(11) . . ?
S00K Au0C Au09 124.14(11) . . ?
Au01 Ag0D Au02 57.55(2) . . ?
Au01 Ag0D Au04 57.63(2) . . ?
Au01 Ag0D Au05 57.12(2) . . ?
Au01 Ag0D Au06 57.05(2) . . ?
Au01 Ag0D Au0A 57.99(2) . . ?
Au02 Ag0D Au04 107.57(3) . . ?
Au02 Ag0D Au05 60.35(2) . . ?
Au02 Ag0D Au06 105.70(3) . . ?
Au02 Ag0D Au0A 60.13(2) . . ?
Au04 Ag0D Au05 59.68(2) . . ?
Au04 Ag0D Au06 59.05(2) . . ?
Au04 Ag0D Au0A 106.11(3) . . ?
Au06 Ag0D Au05 105.99(3) . . ?
Au0A Ag0D Au05 107.60(3) . . ?
Au0A Ag0D Au06 57.84(2) . . ?
Cl00 Ag0D Au01 178.67(11) . . ?
Cl00 Ag0D Au02 121.41(11) . . ?
Cl00 Ag0D Au04 123.70(11) . . ?
Cl00 Ag0D Au05 123.38(10) . . ?
Cl00 Ag0D Au06 123.25(10) . . ?
Cl00 Ag0D Au0A 120.90(11) . . ?
C00T P00E Au03 109.6(3) . . ?
C00T P00E C016 104.8(4) . . ?
C01L P00E Au03 114.7(3) . . ?
C01L P00E C00T 108.5(4) . . ?
C01L P00E C016 101.9(5) . . ?
C016 P00E Au03 116.6(3) . . ?
C01A P00F Au05 113.7(3) . . ?
C015 P00F Au05 116.1(3) . . ?
C015 P00F C01A 103.5(4) . . ?
C015 P00F C01I 106.9(4) . . ?
C01I P00F Au05 111.6(3) . . ?
C01I P00F C01A 104.0(4) . . ?
C01P P00G Au02 118.4(3) . . ?
C01P P00G C029 102.3(6) . . ?
C013 P00G Au02 113.6(3) . . ?
C013 P00G C01P 101.7(4) . . ?
C013 P00G C029 107.6(6) . . ?
C029 P00G Au02 112.0(5) . . ?
C00U P00H Au04 111.2(4) . . ?
C012 P00H Au04 121.2(3) . . ?
C012 P00H C00U 104.5(5) . . ?
C012 P00H C00Z 103.4(5) . . ?
C00Z P00H Au04 110.0(3) . . ?
C00Z P00H C00U 105.0(5) . . ?
C01Y P00I Au06 112.6(4) . . ?
C025 P00I Au06 110.4(3) . . ?
C025 P00I C01Y 104.7(4) . . ?
C01S P00I Au06 116.8(3) . . ?
C01S P00I C01Y 103.8(5) . . ?
C01S P00I C025 107.6(5) . . ?
C01G P00J Au07 117.8(4) . . ?
C01G P00J C028 104.7(5) . . ?
C01R P00J Au07 113.2(4) . . ?
C01R P00J C01G 104.0(5) . . ?
C01R P00J C028 107.3(5) . . ?
C028 P00J Au07 109.0(4) . . ?
C3AA S00K Au0C 112.4(4) . . ?
C1 S00L Au08 109.4(4) . . ?
C6AA S00N Au0A 111.4(4) . . ?
C38 S00O Au09 107.4(5) . . ?
C5AA S00P Au0B 111.7(5) . . ?
C00X O00Q C026 117.6(8) . . ?
C00Y O00R C014 116.8(8) . . ?
C01V O00S C024 117.7(9) . . ?
C01E C00U P00H 121.1(6) . . ?
C01E C00U C01K 120.0 . . ?
C01K C00U P00H 118.9(5) . . ?
C00U C01E C03L 120.0 . . ?
C03U C03L C01E 120.0 . . ?
C03W C03U C03L 120.0 . . ?
C03U C03W C01K 120.0 . . ?
C03W C01K C00U 120.0 . . ?
C00T C00W C02G 120.0 . . ?
C00W C00T P00E 115.9(5) . . ?
C00W C00T C00V 120.0 . . ?
C00V C00T P00E 124.0(5) . . ?
C032 C00V C00T 120.0 . . ?
C00V C032 C02Y 120.0 . . ?
C02G C02Y C032 120.0 . . ?
C02Y C02G C00W 120.0 . . ?
O00R C00Y C01M 123.3(7) . . ?
O00R C00Y C01P 116.4(7) . . ?
C01M C00Y C01P 120.0 . . ?
C00Y C01M C02E 120.0 . . ?
C01M C02E C02S 120.0 . . ?
C02B C02S C02E 120.0 . . ?
C01P C02B C02S 120.0 . . ?
C00Y C01P P00G 117.3(5) . . ?
C02B C01P P00G 122.3(5) . . ?
C02B C01P C00Y 120.0 . . ?
C01J C010 C01L 120.0 . . ?
C010 C01J C031 120.0 . . ?
C034 C031 C01J 120.0 . . ?
C031 C034 C02P 120.0 . . ?
C034 C02P C01L 120.0 . . ?
C010 C01L P00E 118.5(4) . . ?
C02P C01L P00E 121.5(4) . . ?
C02P C01L C010 120.0 . . ?
C01D C013 P00G 118.7(5) . . ?
C01D C013 C03D 120.0 . . ?
C03D C013 P00G 121.2(5) . . ?
C030 C01D C013 120.0 . . ?
C01D C030 C53 120.0 . . ?
C69 C53 C030 120.0 . . ?
C53 C69 C03D 120.0 . . ?
C69 C03D C013 120.0 . . ?
C01B C01A P00F 122.2(5) . . ?
C01B C01A C014 120.0 . . ?
C014 C01A P00F 117.8(5) . . ?
C020 C01B C01A 120.0 . . ?
C01B C020 C02A 120.0 . . ?
C020 C02A C01T 120.0 . . ?
C014 C01T C02A 120.0 . . ?
C01A C014 O00R 118.9(6) . . ?
C01T C014 O00R 121.0(6) . . ?
C01T C014 C01A 120.0 . . ?
C029 C01F C4 120.0(17) . . ?
C019 C01G P00J 119.7(5) . . ?
C019 C01G C024 120.0 . . ?
C024 C01G P00J 119.8(6) . . ?
C01G C019 C03P 120.0 . . ?
C03E C03P C019 120.0 . . ?
C03P C03E C02K 120.0 . . ?
C024 C02K C03E 120.0 . . ?
C01G C024 O00S 115.8(7) . . ?
C02K C024 O00S 124.2(7) . . ?
C02K C024 C01G 120.0 . . ?
C02F C01O C01C 120.0 . . ?
C01O C02F C027 120.0 . . ?
C01Q C027 C02F 120.0 . . ?
C027 C01Q C015 120.0 . . ?
C01Q C015 P00F 118.1(5) . . ?
C01C C015 P00F 121.9(5) . . ?
C01C C015 C01Q 120.0 . . ?
C015 C01C C01O 120.0 . . ?
C03M C023 C01Y 120.0 . . ?
C02N C03M C023 120.0 . . ?
C03M C02N C02H 120.0 . . ?
C026 C02H C02N 120.0 . . ?
O00Q C026 C02H 121.0(7) . . ?
O00Q C026 C01Y 118.9(7) . . ?
C01Y C026 C02H 120.0 . . ?
C023 C01Y P00I 122.5(5) . . ?
C026 C01Y P00I 117.5(5) . . ?
C026 C01Y C023 120.0 . . ?
C01F C029 P00G 116.3(11) . . ?
C01F C029 C035 124.1(15) . . ?
C035 C029 P00G 119.3(13) . . ?
C01R C02C C18 120.0 . . ?
C02C C01R P00J 118.2(6) . . ?
C02C C01R C02R 120.0 . . ?
C02R C01R P00J 121.7(6) . . ?
C22 C02R C01R 120.0 . . ?
C02R C22 C5 120.0 . . ?
C18 C5 C22 120.0 . . ?
C5 C18 C02C 120.0 . . ?
C02J C02M C02W 120.0 . . ?
C012 C02J C02M 120.0 . . ?
C02J C012 P00H 119.9(5) . . ?
C00X C012 P00H 119.9(5) . . ?
C00X C012 C02J 120.0 . . ?
O00Q C00X C012 117.6(7) . . ?
O00Q C00X C01X 122.3(7) . . ?
C012 C00X C01X 120.0 . . ?
C02W C01X C00X 120.0 . . ?
C01X C02W C02M 120.0 . . ?
C02U C02V C02I 120.0 . . ?
C02V C02U C01I 120.0 . . ?
C02U C01I P00F 116.9(5) . . ?
C018 C01I P00F 122.9(5) . . ?
C018 C01I C02U 120.0 . . ?
C01I C018 C01Z 120.0 . . ?
C02I C01Z C018 120.0 . . ?
C01Z C02I C02V 120.0 . . ?
C02D C02X C03A 120.0 . . ?
C025 C02D C02X 120.0 . . ?
C02D C025 P00I 122.5(6) . . ?
C02D C025 C039 120.0 . . ?
C039 C025 P00I 117.4(6) . . ?
C03S C039 C025 120.0 . . ?
C039 C03S C03A 120.0 . . ?
C03S C03A C02X 120.0 . . ?
C127 C035 C029 116.7(17) . . ?
C03H C036 C011 120.0 . . ?
C03B C03H C036 120.0 . . ?
C03H C03B C01N 120.0 . . ?
C03B C01N C00Z 120.0 . . ?
C01N C00Z P00H 117.3(6) . . ?
C01N C00Z C011 120.0 . . ?
C011 C00Z P00H 122.5(5) . . ?
C00Z C011 C036 120.0 . . ?
C02O C03F C02L 120.0 . . ?
C03F C02O C01V 120.0 . . ?
O00S C01V C02O 120.4(7) . . ?
O00S C01V C016 119.5(7) . . ?
C016 C01V C02O 120.0 . . ?
C01V C016 P00E 117.8(5) . . ?
C01V C016 C01H 120.0 . . ?
C01H C016 P00E 122.2(5) . . ?
C016 C01H C02L 120.0 . . ?
C01H C02L C03F 120.0 . . ?
C03V C2 C03Q 120.0 . . ?
C033 C03V C2 120.0 . . ?
C022 C033 C03V 120.0 . . ?
C033 C022 C028 120.0 . . ?
C022 C028 P00J 118.6(6) . . ?
C03Q C028 P00J 121.4(6) . . ?
C03Q C028 C022 120.0 . . ?
C028 C03Q C2 120.0 . . ?
C33 C4 C01F 120(2) . . ?
C4 C33 C127 116(2) . . ?
C035 C127 C33 122.6(18) . . ?
C63 C0AA C01S 120.0 . . ?
C109 C63 C0AA 120.0 . . ?
C63 C109 C54 120.0 . . ?
C109 C54 C01W 120.0 . . ?
C54 C01W C01S 120.0 . . ?
C0AA C01S P00I 119.9(5) . . ?
C01W C01S P00I 120.1(5) . . ?
C01W C01S C0AA 120.0 . . ?
C2AA C1 S00L 124.1(9) . . ?
C2AA C1 C3 116.8(14) . . ?
C3 C1 S00L 119.0(9) . . ?
C1AA C2AA C1 121.0(14) . . ?
C11 C3 C1 120.4(15) . . ?
C11 N6 C1AA 123.5(15) . . ?
N6 C11 C3 119.4(16) . . ?
N6 C1AA C2AA 118.7(14) . . ?
N42 C6 C32 124.5(11) . . ?
C32 C3AA S00K 121.8(8) . . ?
C4AA C3AA S00K 117.2(8) . . ?
C4AA C3AA C32 120.8(12) . . ?
C6 C32 C3AA 116.0(11) . . ?
N42 C40 C4AA 123.7(11) . . ?
C40 N42 C6 117.0(11) . . ?
C3AA C4AA C40 116.2(11) . . ?
N55 C7 C44 129.5(12) . . ?
C44 C38 S00O 119.3(7) . . ?
C76 C38 S00O 121.9(8) . . ?
C76 C38 C44 118.8(7) . . ?
C7 C44 C38 115.2(8) . . ?
C7 N55 C138 111.0(14) . . ?
C138 C76 C38 116.6(9) . . ?
N55 C138 C76 128.8(12) . . ?
C114 N37 C68 116.3(16) . . ?
C70 C5AA S00P 122.2(8) . . ?
C70 C5AA C108 116.4(7) . . ?
C108 C5AA S00P 121.0(8) . . ?
N37 C68 C70 123.5(14) . . ?
C68 C70 C5AA 119.6(9) . . ?
C114 C108 C5AA 120.0(9) . . ?
N37 C114 C108 123.3(14) . . ?
C8AA N9AA C8 115.3(13) . . ?
C0BA C6AA S00N 120.9(7) . . ?
C7AA C6AA S00N 122.1(7) . . ?
C7AA C6AA C0BA 117.0(7) . . ?
N9AA C8AA C7AA 124.8(11) . . ?
C6AA C0BA C8 119.4(8) . . ?
C6AA C7AA C8AA 119.0(8) . . ?
N9AA C8 C0BA 124.4(11) . . ?

_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_mp_sq
_database_code_depnum_ccdc_archive 'CCDC 2500927'
loop_
_audit_author_name
_audit_author_address
'Cao Fang'
;Anhui University
China
;
_audit_update_record             
;
2026-01-12 deposited with the CCDC.	2026-04-10 downloaded from the CCDC.
;
_audit_creation_date             2025-12-02
_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         'C133 H104 Ag Au12 Cl N5 O3 P6 S5'
_chemical_formula_sum            'C133 H103 Ag Au12 Cl N5 O3 P6 S5'
_chemical_formula_weight         4672.24
_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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   17.195(2)
_cell_length_b                   24.605(3)
_cell_length_c                   34.833(4)
_cell_angle_alpha                90
_cell_angle_beta                 93.887(9)
_cell_angle_gamma                90
_cell_volume                     14703(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    20684
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      67.90
_cell_measurement_theta_min      3.20
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    24.733
_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            'metallic orangish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.111
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             8568
_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  0.0707
_diffrn_reflns_av_unetI/netI     0.0667
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            110168
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        67.686
_diffrn_reflns_theta_max         70.288
_diffrn_reflns_theta_min         5.156
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.969
_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                20205
_reflns_number_total             27158
_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    ?
_refine_diff_density_max         4.174
_refine_diff_density_min         -5.951
_refine_diff_density_rms         0.436
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1231
_refine_ls_number_reflns         27158
_refine_ls_number_restraints     1160
_refine_ls_R_factor_all          0.1113
_refine_ls_R_factor_gt           0.0947
_refine_ls_restrained_S_all      2.032
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2558
_refine_ls_wR_factor_ref         0.2714
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C41-C03Z = C67-C41 = C67-C34 = C49-C34
 1.39 with sigma of 0.01
 N0AA-C03Z = N0AA-C49
 1.3 with sigma of 0.001
 N24-C03O = N24-C0AA
 1.3 with sigma of 0.001
 N02F-C1AA = N02F-C13
 1.3 with sigma of 0.001
 C9-C13 = C9-C3AA = C3AA-C15 = C1AA-C15
 1.39 with sigma of 0.01
 N02F-C13 = N02F-C1AA
 1.3 with sigma of 0.001
 N25-C2AA
 1.3 with sigma of 0.001
 N4-C038 = N4-C01C
 1.3 with sigma of 0.001
 C1AA-C15 = C3AA-C15 = C9-C3AA = C9-C13
 1.39 with sigma of 0.01
 C2AA-C03P = C187-C03P = C187-C01Z = C4AA-C01Z
 1.39 with sigma of 0.01
 C4AA-C01Z = C187-C01Z
 1.39 with sigma of 0.01
3. Restrained planarity
 C03Z, C41, C67, C34, C49, N0AA
 with sigma of 0.1
 C03O, C16, C17, N24, C0AA, C40
 with sigma of 0.1
 C13, N02F, C1AA, C15, C3AA, C9
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
S00F \\sim N25 \\sim C2AA \\sim C03P \\sim C187 \\sim C01Z: within 3.58A with
sigma of 0.01 and sigma for terminal atoms of 0.02
S00P \\sim C03Z \\sim N0AA \\sim C41 \\sim C67 \\sim C34 \\sim C49: within
3.58A with sigma of 0.01 and sigma for terminal atoms of 0.02
S00L \\sim C03O \\sim C17 \\sim N24 \\sim C0AA \\sim C40 \\sim C16: within
3.58A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C00T) \\sim Ueq, Uanis(C01Q) \\sim Ueq, Uanis(C03F) \\sim Ueq,
Uanis(C02V) \\sim Ueq, Uanis(C01K) \\sim Ueq, Uanis(C01H) \\sim Ueq,
Uanis(C02G) \\sim Ueq, Uanis(C00W) \\sim Ueq, Uanis(C01P) \\sim Ueq,
Uanis(C03T) \\sim Ueq, Uanis(C036) \\sim Ueq, Uanis(C03G) \\sim Ueq,
Uanis(C00Z) \\sim Ueq, Uanis(C02C) \\sim Ueq, Uanis(C049) \\sim Ueq,
Uanis(C045) \\sim Ueq, Uanis(C041) \\sim Ueq, Uanis(C024) \\sim Ueq,
Uanis(C015) \\sim Ueq, Uanis(C012) \\sim Ueq, Uanis(C01V) \\sim Ueq,
Uanis(C02D) \\sim Ueq, Uanis(C025) \\sim Ueq, Uanis(C01E) \\sim Ueq,
Uanis(C019) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C65) \\sim Ueq, Uanis(C047)
\\sim Ueq, Uanis(C02O) \\sim Ueq, Uanis(C01D) \\sim Ueq, Uanis(C01A) \\sim Ueq,
Uanis(C01S) \\sim Ueq, Uanis(C02Q) \\sim Ueq, Uanis(C02H) \\sim Ueq,
Uanis(C03K) \\sim Ueq, Uanis(C01B) \\sim Ueq, Uanis(C01J) \\sim Ueq,
Uanis(C03H) \\sim Ueq, Uanis(C03N) \\sim Ueq, Uanis(C02K) \\sim Ueq,
Uanis(C016) \\sim Ueq, Uanis(C00Y) \\sim Ueq, Uanis(C01O) \\sim Ueq,
Uanis(C01F) \\sim Ueq, Uanis(C01N) \\sim Ueq, Uanis(C02L) \\sim Ueq,
Uanis(C02Z) \\sim Ueq, Uanis(C01Y) \\sim Ueq, Uanis(C01R) \\sim Ueq,
Uanis(C01I) \\sim Ueq, Uanis(C02B) \\sim Ueq, Uanis(C01T) \\sim Ueq,
Uanis(C031) \\sim Ueq, Uanis(C01L) \\sim Ueq, Uanis(C01U) \\sim Ueq,
Uanis(C010) \\sim Ueq, Uanis(C02U) \\sim Ueq, Uanis(C030) \\sim Ueq,
Uanis(C02W) \\sim Ueq, Uanis(C02N) \\sim Ueq, Uanis(C020) \\sim Ueq,
Uanis(C02Y) \\sim Ueq, Uanis(C011) \\sim Ueq, Uanis(C00V) \\sim Ueq,
Uanis(C00X) \\sim Ueq, Uanis(C00U) \\sim Ueq, Uanis(C023) \\sim Ueq,
Uanis(C028) \\sim Ueq, Uanis(C037) \\sim Ueq, Uanis(C032) \\sim Ueq,
Uanis(C046) \\sim Ueq, Uanis(C043) \\sim Ueq, Uanis(C026) \\sim Ueq,
Uanis(C039) \\sim Ueq, Uanis(C03M) \\sim Ueq, Uanis(C03D) \\sim Ueq,
Uanis(C013) \\sim Ueq, Uanis(C018) \\sim Ueq, Uanis(C027) \\sim Ueq,
Uanis(C03R) \\sim Ueq, Uanis(C03C) \\sim Ueq, Uanis(C033) \\sim Ueq,
Uanis(C03A) \\sim Ueq, Uanis(C02A) \\sim Ueq, Uanis(C029) \\sim Ueq,
Uanis(C044) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C02J) \\sim Ueq, Uanis(C035)
\\sim Ueq, Uanis(C03V) \\sim Ueq, Uanis(C02E) \\sim Ueq, Uanis(C01X) \\sim Ueq,
Uanis(C034) \\sim Ueq, Uanis(C02X) \\sim Ueq, Uanis(C02M) \\sim Ueq,
Uanis(C03E) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C1AA) \\sim Ueq, Uanis(C15)
\\sim Ueq, Uanis(C3AA) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C02P) \\sim Ueq,
Uanis(C02I) \\sim Ueq, Uanis(C01W) \\sim Ueq, Uanis(C01G) \\sim Ueq,
Uanis(C03J) \\sim Ueq, Uanis(C03B) \\sim Ueq, Uanis(C02S) \\sim Ueq, Uanis(C20)
\\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C03Y) \\sim Ueq, Uanis(C017) \\sim Ueq,
Uanis(C021) \\sim Ueq, Uanis(C03U) \\sim Ueq, Uanis(C014) \\sim Ueq,
Uanis(C01C) \\sim Ueq, Uanis(C038) \\sim Ueq, Uanis(C03S) \\sim Ueq, Uanis(C67)
\\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(C49) \\sim Ueq, Uanis(C03Z) \\sim Ueq,
Uanis(C41) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C16)
\\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C03O) \\sim Ueq, Uanis(C2AA) \\sim Ueq,
Uanis(C03P) \\sim Ueq, Uanis(C187) \\sim Ueq, Uanis(C01Z) \\sim Ueq,
Uanis(C4AA) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N02F) \\sim Ueq, Uanis(N4) \\sim Ueq, Uanis(N0AA) \\sim Ueq, Uanis(N24)
\\sim Ueq, Uanis(N25) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(S00F) \\sim Ueq, Uanis(N25) \\sim Ueq, Uanis(C2AA) \\sim Ueq, Uanis(C03P)
\\sim Ueq, Uanis(C187) \\sim Ueq, Uanis(C01Z) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
5.a Aromatic/amide H refined with riding coordinates:
 C01Q(H01Q), C03F(H03F), C02V(H02V), C01K(H01K), C01H(H01H), C02G(H02G),
 C01P(H01P), C03T(H03T), C036(H036), C03G(H03G), C02C(H02C), C049(H049),
 C045(H045), C041(H041), C024(H024), C012(H012), C01V(H01V), C02D(H02D),
 C025(H025), C01E(H01E), C29(H29), C65(H65), C047(H047), C02O(H02O), C01D(H01D),
  C01S(H01S), C02Q(H02Q), C02H(H02H), C03K(H03K), C01B(H01B), C01J(H01J),
 C03H(H03H), C03N(H03N), C02K(H02K), C01O(H01O), C01N(H01N), C02L(H02L),
 C02Z(H02Z), C01Y(H01Y), C02B(H02B), C01T(H01T), C031(H031), C01L(H01L),
 C01U(H01U), C02U(H02U), C030(H030), C02W(H02W), C02N(H02N), C020(H020),
 C02Y(H02Y), C011(H011), C00U(H00U), C028(H028), C037(H037), C032(H032),
 C046(H046), C043(H043), C026(H026), C039(H039), C03M(H03M), C03D(H03D),
 C03R(H03R), C03C(H03C), C033(H033), C03A(H03A), C044(H044), C19(H19),
 C02J(H02J), C035(H035), C03V(H03V), C02E(H02E), C034(H034), C02X(H02X),
 C02M(H02M), C03E(H03E), C1AA(H1AA), C15(H15), C3AA(H3AA), C9(H9), C02P(H02P),
 C02I(H02I), C03J(H03J), C03B(H03B), C02S(H02S), C20(H20), C6(H6), C03Y(H03Y),
 C021(H021), C03U(H03U), C014(H014), C038(H038), C03S(H03S), C67(H67), C34(H34),
  C49(H49), C41(H41), C0AA(H0AA), C40(H40), C16(H16), C17(H17), C2AA(H2AA),
 C03P(H03P), C187(H187), C01Z(H01Z)
5.b Fitted hexagon refined as free rotating group:
 C00T(C01Q,C03F,C02V,C01K,C01H), C02G(C00W,C01P,C03T,C036,C03G), C00Z(C02C,
 C049,C045,C041,C024), C015(C012,C01V,C02D,C025,C01E), C019(C29,C65,C047,C02O,
 C01D), C01A(C01S,C02Q,C02H,C03K,C01B), C01J(C03H,C03N,C02K,C016,C00Y),
 C01O(C01F,C01N,C02L,C02Z,C01Y), C01R(C01I,C02B,C01T,C031,C01L), C01U(C010,C02U,
 C030,C02W,C02N), C020(C02Y,C011,C00V,C00X,C00U), C023(C028,C037,C032,C046,
 C043), C026(C039,C03M,C03D,C013,C018), C027(C03R,C03C,C033,C03A,C02A),
 C029(C044,C19,C02J,C035,C03V), C02E(C01X,C034,C02X,C02M,C03E), C13(N02F,C1AA,
 C15,C3AA,C9), C02P(C02I,C01W,C01G,C03J,C03B), C02S(C20,C6,C03Y,C017,C021),
 C03U(C014,C01C,N4,C038,C03S), C67(C34,C49,N0AA,C03Z,C41), C0AA(C40,C16,C17,
 C03O,N24)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.50965(4) 0.72897(3) 0.32899(2) 0.03452(16) Uani 1 1 d . . . . .
Au02 Au 0.53021(4) 0.62689(3) 0.30039(2) 0.03696(17) Uani 1 1 d . . . . .
Au03 Au 0.45849(4) 0.71239(3) 0.25345(2) 0.03784(17) Uani 1 1 d . . . . .
Au04 Au 0.37249(4) 0.77731(3) 0.30603(2) 0.03983(17) Uani 1 1 d . . . . .
Au05 Au 0.49949(4) 0.64458(3) 0.37932(2) 0.04120(18) Uani 1 1 d . . . . .
Au06 Au 0.63837(4) 0.79399(3) 0.33911(2) 0.04131(18) Uani 1 1 d . . . . .
Au07 Au 0.48582(4) 0.83099(3) 0.35903(2) 0.04260(18) Uani 1 1 d . . . . .
Au08 Au 0.52051(5) 0.81531(3) 0.27864(2) 0.0516(2) Uani 1 1 d . . . . .
Au09 Au 0.62351(5) 0.71882(4) 0.27743(2) 0.0547(2) Uani 1 1 d . . . . .
Au0A Au 0.64757(5) 0.67668(4) 0.35448(2) 0.0557(2) Uani 1 1 d . . . . .
Au0B Au 0.39793(6) 0.73471(4) 0.38254(3) 0.0646(3) Uani 1 1 d . . . . .
Au0C Au 0.56584(6) 0.74823(4) 0.40391(2) 0.0642(3) Uani 1 1 d . . . . .
Ag0D Ag 0.37848(7) 0.66216(5) 0.31724(4) 0.0398(3) Uani 1 1 d . . . . .
P00E P 0.5523(3) 0.54076(18) 0.27955(12) 0.0408(9) Uani 1 1 d . . . . .
S00F S 0.7190(3) 0.7088(2) 0.23168(13) 0.0509(10) Uani 1 1 d . U . . .
P00G P 0.4184(3) 0.7069(2) 0.18947(12) 0.0459(10) Uani 1 1 d . . . . .
P00H P 0.4972(3) 0.57577(19) 0.42300(12) 0.0450(10) Uani 1 1 d . . . . .
P00I P 0.2543(3) 0.81414(19) 0.28608(15) 0.0472(10) Uani 1 1 d . . . . .
P00J P 0.4736(3) 0.9133(2) 0.38962(13) 0.0495(11) Uani 1 1 d . . . . .
S00K S 0.5163(3) 0.8918(2) 0.23783(14) 0.0559(11) Uani 1 1 d . . . . .
S00L S 0.6288(4) 0.7758(2) 0.46286(14) 0.0663(13) Uani 1 1 d . U . . .
P00M P 0.7458(3) 0.8477(2) 0.34748(14) 0.0495(11) Uani 1 1 d . . . . .
S00N S 0.7608(3) 0.6247(2) 0.37205(16) 0.0615(13) Uani 1 1 d . . . . .
Cl00 Cl 0.2640(3) 0.6071(2) 0.30612(18) 0.0701(15) Uani 1 1 d . . . . .
S00P S 0.3118(4) 0.7377(3) 0.4333(2) 0.0878(19) Uani 1 1 d . U . . .
O00Q O 0.3209(7) 0.8009(5) 0.2136(4) 0.051(3) Uani 1 1 d . . . . .
O00R O 0.5842(8) 0.5250(5) 0.3624(4) 0.057(3) Uani 1 1 d . . . . .
O00S O 0.6452(8) 0.8994(6) 0.3999(4) 0.057(3) Uani 1 1 d . . . . .
C00T C 0.5057(6) 0.5265(5) 0.2321(3) 0.046(4) Uani 1 1 d . U . . .
C01Q C 0.5417(6) 0.4942(5) 0.2057(3) 0.054(4) Uani 1 1 d G U . . .
H01Q H 0.593101 0.481167 0.211643 0.064 Uiso 1 1 calc R . . . .
C03F C 0.5025(8) 0.4811(6) 0.1708(3) 0.062(5) Uani 1 1 d G U . . .
H03F H 0.527082 0.459023 0.152768 0.075 Uiso 1 1 calc R . . . .
C02V C 0.4272(8) 0.5002(6) 0.1621(3) 0.073(6) Uani 1 1 d G U . . .
H02V H 0.400432 0.491180 0.138231 0.088 Uiso 1 1 calc R . . . .
C01K C 0.3912(6) 0.5324(6) 0.1885(4) 0.063(5) Uani 1 1 d G U . . .
H01K H 0.339801 0.545481 0.182569 0.075 Uiso 1 1 calc R . . . .
C01H C 0.4304(6) 0.5456(5) 0.2234(3) 0.051(4) Uani 1 1 d G U . . .
H01H H 0.405819 0.567626 0.241444 0.061 Uiso 1 1 calc R . . . .
C02G C 0.7069(8) 0.5686(4) 0.2705(5) 0.072(6) Uani 1 1 d . U . . .
H02G H 0.686927 0.604192 0.266117 0.086 Uiso 1 1 calc R . . . .
C00W C 0.6564(5) 0.5259(5) 0.2768(4) 0.045(4) Uani 1 1 d G U . . .
C01P C 0.6857(7) 0.4738(5) 0.2833(4) 0.063(5) Uani 1 1 d G U . . .
H01P H 0.651154 0.444549 0.287540 0.076 Uiso 1 1 calc R . . . .
C03T C 0.7654(8) 0.4644(5) 0.2835(5) 0.069(6) Uani 1 1 d G U . . .
H03T H 0.785404 0.428764 0.287947 0.083 Uiso 1 1 calc R . . . .
C036 C 0.8159(5) 0.5071(6) 0.2773(5) 0.072(6) Uani 1 1 d G U . . .
H036 H 0.870416 0.500692 0.277439 0.086 Uiso 1 1 calc R . . . .
C03G C 0.7867(7) 0.5592(5) 0.2708(5) 0.078(7) Uani 1 1 d G U . . .
H03G H 0.821179 0.588406 0.266524 0.094 Uiso 1 1 calc R . . . .
C00Z C 0.2606(7) 0.8875(4) 0.2777(4) 0.044(4) Uani 1 1 d . U . . .
C02C C 0.2167(7) 0.9116(5) 0.2473(4) 0.065(5) Uani 1 1 d G U . . .
H02C H 0.181148 0.890426 0.231571 0.077 Uiso 1 1 calc R . . . .
C049 C 0.2249(8) 0.9668(5) 0.2400(4) 0.060(5) Uani 1 1 d G U . . .
H049 H 0.194879 0.983306 0.219278 0.072 Uiso 1 1 calc R . . . .
C045 C 0.2769(9) 0.9979(4) 0.2631(5) 0.068(6) Uani 1 1 d G U . . .
H045 H 0.282455 1.035580 0.258112 0.082 Uiso 1 1 calc R . . . .
C041 C 0.3207(9) 0.9738(5) 0.2935(4) 0.091(8) Uani 1 1 d G U . . .
H041 H 0.356300 0.994973 0.309238 0.109 Uiso 1 1 calc R . . . .
C024 C 0.3126(8) 0.9186(5) 0.3008(4) 0.064(5) Uani 1 1 d G U . . .
H024 H 0.342570 0.902093 0.321532 0.077 Uiso 1 1 calc R . . . .
C015 C 0.4258(7) 0.5226(5) 0.4127(3) 0.054(4) Uani 1 1 d . U . . .
C012 C 0.4252(7) 0.4772(5) 0.4365(3) 0.051(4) Uani 1 1 d G U . . .
H012 H 0.462097 0.474198 0.457951 0.061 Uiso 1 1 calc R . . . .
C01V C 0.3706(7) 0.4363(4) 0.4288(3) 0.058(5) Uani 1 1 d G U . . .
H01V H 0.370250 0.405269 0.445085 0.069 Uiso 1 1 calc R . . . .
C02D C 0.3167(7) 0.4407(5) 0.3974(4) 0.057(5) Uani 1 1 d G U . . .
H02D H 0.279383 0.412709 0.392221 0.069 Uiso 1 1 calc R . . . .
C025 C 0.3173(7) 0.4861(5) 0.3737(3) 0.056(5) Uani 1 1 d G U . . .
H025 H 0.280362 0.489078 0.352222 0.067 Uiso 1 1 calc R . . . .
C01E C 0.3718(8) 0.5270(4) 0.3813(3) 0.055(5) Uani 1 1 d G U . . .
H01E H 0.372208 0.558008 0.365087 0.066 Uiso 1 1 calc R . . . .
C019 C 0.8089(8) 0.8314(6) 0.3893(4) 0.064(5) Uani 1 1 d . U . . .
C29 C 0.8546(10) 0.8700(5) 0.4093(5) 0.081(7) Uani 1 1 d G U . . .
H29 H 0.848472 0.907416 0.403186 0.098 Uiso 1 1 calc R . . . .
C65 C 0.9094(10) 0.8538(7) 0.4382(5) 0.096(9) Uani 1 1 d G U . . .
H65 H 0.940618 0.880150 0.451901 0.115 Uiso 1 1 calc R . . . .
C047 C 0.9184(9) 0.7990(8) 0.4471(4) 0.084(7) Uani 1 1 d G U . . .
H047 H 0.955797 0.787898 0.466919 0.101 Uiso 1 1 calc R . . . .
C02O C 0.8727(10) 0.7604(5) 0.4271(5) 0.079(7) Uani 1 1 d G U . . .
H02O H 0.878831 0.722911 0.433221 0.094 Uiso 1 1 calc R . . . .
C01D C 0.8179(9) 0.7766(6) 0.3982(4) 0.070(6) Uani 1 1 d G U . . .
H01D H 0.786684 0.750176 0.384505 0.084 Uiso 1 1 calc R . . . .
C01A C 0.3231(6) 0.6749(5) 0.1787(4) 0.055(5) Uani 1 1 d . U . . .
C01S C 0.2912(8) 0.6673(6) 0.1413(3) 0.059(5) Uani 1 1 d G U . . .
H01S H 0.318787 0.679286 0.120165 0.071 Uiso 1 1 calc R . . . .
C02Q C 0.2191(8) 0.6422(6) 0.1350(3) 0.078(7) Uani 1 1 d G U . . .
H02Q H 0.197407 0.636949 0.109415 0.093 Uiso 1 1 calc R . . . .
C02H C 0.1789(6) 0.6246(6) 0.1659(4) 0.066(6) Uani 1 1 d G U . . .
H02H H 0.129578 0.607442 0.161574 0.079 Uiso 1 1 calc R . . . .
C03K C 0.2107(7) 0.6323(6) 0.2033(4) 0.067(6) Uani 1 1 d G U . . .
H03K H 0.183128 0.620272 0.224481 0.080 Uiso 1 1 calc R . . . .
C01B C 0.2828(8) 0.6574(6) 0.2097(3) 0.057(5) Uani 1 1 d G U . . .
H01B H 0.304508 0.662609 0.235231 0.068 Uiso 1 1 calc R . . . .
C01J C 0.2026(8) 0.7775(6) 0.1736(3) 0.062(5) Uani 1 1 d . U . . .
H01J H 0.229273 0.778997 0.150603 0.074 Uiso 1 1 calc R . . . .
C03H C 0.1242(8) 0.7632(6) 0.1720(3) 0.065(5) Uani 1 1 d G U . . .
H03H H 0.097397 0.754850 0.148020 0.078 Uiso 1 1 calc R . . . .
C03N C 0.0851(6) 0.7610(6) 0.2057(4) 0.077(7) Uani 1 1 d G U . . .
H03N H 0.031594 0.751208 0.204605 0.092 Uiso 1 1 calc R . . . .
C02K C 0.1244(7) 0.7732(6) 0.2408(3) 0.058(5) Uani 1 1 d G U . . .
H02K H 0.097666 0.771713 0.263774 0.069 Uiso 1 1 calc R . . . .
C016 C 0.2027(7) 0.7875(6) 0.2423(3) 0.058(5) Uani 1 1 d G U . . .
C00Y C 0.2418(5) 0.7897(6) 0.2087(4) 0.054(4) Uani 1 1 d G U . . .
C01O C 0.7733(6) 0.8372(7) 0.2699(4) 0.071(6) Uani 1 1 d . U . . .
H01O H 0.718064 0.836573 0.266270 0.085 Uiso 1 1 calc R . . . .
C01F C 0.8090(7) 0.8410(6) 0.3068(3) 0.058(5) Uani 1 1 d G U . . .
C01N C 0.8898(7) 0.8419(6) 0.3122(3) 0.059(5) Uani 1 1 d G U . . .
H01N H 0.914241 0.844555 0.337422 0.071 Uiso 1 1 calc R . . . .
C02L C 0.9350(6) 0.8389(7) 0.2806(4) 0.072(6) Uani 1 1 d G U . . .
H02L H 0.990228 0.839475 0.284292 0.086 Uiso 1 1 calc R . . . .
C02Z C 0.8993(8) 0.8350(7) 0.2437(4) 0.073(6) Uani 1 1 d G U . . .
H02Z H 0.930134 0.832945 0.222152 0.088 Uiso 1 1 calc R . . . .
C01Y C 0.8184(8) 0.8341(6) 0.2384(3) 0.061(5) Uani 1 1 d G U . . .
H01Y H 0.794052 0.831493 0.213140 0.073 Uiso 1 1 calc R . . . .
C01R C 0.6246(7) 0.5191(6) 0.3971(3) 0.051(4) Uani 1 1 d . U . . .
C01I C 0.5921(6) 0.5406(5) 0.4292(3) 0.050(4) Uani 1 1 d G U . . .
C02B C 0.6325(7) 0.5374(5) 0.4651(3) 0.049(4) Uani 1 1 d G U . . .
H02B H 0.610255 0.552034 0.487106 0.059 Uiso 1 1 calc R . . . .
C01T C 0.7054(7) 0.5128(6) 0.4688(3) 0.068(6) Uani 1 1 d G U . . .
H01T H 0.732956 0.510607 0.493323 0.082 Uiso 1 1 calc R . . . .
C031 C 0.7379(6) 0.4913(6) 0.4366(4) 0.079(7) Uani 1 1 d G U . . .
H031 H 0.787678 0.474521 0.439147 0.094 Uiso 1 1 calc R . . . .
C01L C 0.6975(7) 0.4945(6) 0.4007(3) 0.062(5) Uani 1 1 d G U . . .
H01L H 0.719697 0.479862 0.378755 0.074 Uiso 1 1 calc R . . . .
C01U C 0.5281(6) 0.6399(5) 0.4857(4) 0.055(5) Uani 1 1 d . U . . .
H01U H 0.573928 0.648904 0.473334 0.066 Uiso 1 1 calc R . . . .
C010 C 0.4759(7) 0.6021(5) 0.4692(3) 0.046(4) Uani 1 1 d G U . . .
C02U C 0.4089(7) 0.5889(5) 0.4873(4) 0.066(5) Uani 1 1 d G U . . .
H02U H 0.373196 0.563075 0.476048 0.079 Uiso 1 1 calc R . . . .
C030 C 0.3941(7) 0.6135(6) 0.5220(4) 0.067(6) Uani 1 1 d G U . . .
H030 H 0.348264 0.604464 0.534437 0.080 Uiso 1 1 calc R . . . .
C02W C 0.4463(9) 0.6513(6) 0.5386(3) 0.078(7) Uani 1 1 d G U . . .
H02W H 0.436163 0.668073 0.562274 0.094 Uiso 1 1 calc R . . . .
C02N C 0.5133(8) 0.6645(5) 0.5204(4) 0.063(5) Uani 1 1 d G U . . .
H02N H 0.548995 0.690293 0.531724 0.076 Uiso 1 1 calc R . . . .
C020 C 0.4865(8) 0.3912(4) 0.3508(3) 0.062(5) Uani 1 1 d . U . . .
H020 H 0.475887 0.359626 0.365276 0.075 Uiso 1 1 calc R . . . .
C02Y C 0.4579(7) 0.3955(4) 0.3127(3) 0.053(4) Uani 1 1 d G U . . .
H02Y H 0.427672 0.366845 0.301029 0.064 Uiso 1 1 calc R . . . .
C011 C 0.4735(7) 0.4417(5) 0.2915(2) 0.054(5) Uani 1 1 d G U . . .
H011 H 0.453885 0.444612 0.265458 0.065 Uiso 1 1 calc R . . . .
C00V C 0.5177(7) 0.4836(4) 0.3086(3) 0.040(4) Uani 1 1 d G U . . .
C00X C 0.5463(7) 0.4793(4) 0.3467(3) 0.048(4) Uani 1 1 d G U . . .
C00U C 0.5307(7) 0.4331(5) 0.3679(2) 0.048(4) Uani 1 1 d G U . . .
H00U H 0.550317 0.430177 0.393952 0.057 Uiso 1 1 calc R . . . .
C023 C 0.3713(6) 0.9242(6) 0.4010(4) 0.057(5) Uani 1 1 d . U . . .
C028 C 0.3353(8) 0.9749(5) 0.3991(5) 0.071(6) Uani 1 1 d G U . . .
H028 H 0.362864 1.005694 0.390844 0.086 Uiso 1 1 calc R . . . .
C037 C 0.2589(9) 0.9803(6) 0.4093(5) 0.078(7) Uani 1 1 d G U . . .
H037 H 0.234306 1.014913 0.408025 0.094 Uiso 1 1 calc R . . . .
C032 C 0.2185(7) 0.9352(8) 0.4214(5) 0.091(8) Uani 1 1 d G U . . .
H032 H 0.166335 0.938944 0.428387 0.110 Uiso 1 1 calc R . . . .
C046 C 0.2545(9) 0.8846(6) 0.4233(5) 0.089(8) Uani 1 1 d G U . . .
H046 H 0.226921 0.853754 0.431568 0.107 Uiso 1 1 calc R . . . .
C043 C 0.3309(9) 0.8791(5) 0.4131(5) 0.076(7) Uani 1 1 d G U . . .
H043 H 0.355478 0.844534 0.414388 0.092 Uiso 1 1 calc R . . . .
C026 C 0.4482(8) 0.7877(5) 0.1338(4) 0.068(6) Uani 1 1 d . U . . .
H026 H 0.481674 0.761792 0.123161 0.081 Uiso 1 1 calc R . . . .
C039 C 0.4391(8) 0.8389(6) 0.1171(3) 0.071(6) Uani 1 1 d G U . . .
H039 H 0.466322 0.847908 0.095164 0.086 Uiso 1 1 calc R . . . .
C03M C 0.3902(9) 0.8768(5) 0.1326(4) 0.068(6) Uani 1 1 d G U . . .
H03M H 0.383961 0.911751 0.121280 0.081 Uiso 1 1 calc R . . . .
C03D C 0.3504(8) 0.8636(5) 0.1648(4) 0.066(6) Uani 1 1 d G U . . .
H03D H 0.316950 0.889478 0.175395 0.079 Uiso 1 1 calc R . . . .
C013 C 0.3595(7) 0.8124(6) 0.1814(3) 0.057(5) Uani 1 1 d G U . . .
C018 C 0.4084(8) 0.7745(4) 0.1659(4) 0.054(5) Uani 1 1 d G U . . .
C027 C 0.7308(8) 0.9207(4) 0.3513(4) 0.055(5) Uani 1 1 d . U . . .
C03R C 0.7680(8) 0.9579(6) 0.3287(4) 0.071(6) Uani 1 1 d G U . . .
H03R H 0.795843 0.945599 0.307743 0.086 Uiso 1 1 calc R . . . .
C03C C 0.7643(9) 1.0131(5) 0.3368(4) 0.074(6) Uani 1 1 d G U . . .
H03C H 0.789680 1.038545 0.321435 0.089 Uiso 1 1 calc R . . . .
C033 C 0.7235(9) 1.0311(4) 0.3675(4) 0.064(5) Uani 1 1 d G U . . .
H033 H 0.720980 1.068816 0.373088 0.077 Uiso 1 1 calc R . . . .
C03A C 0.6863(8) 0.9939(5) 0.3901(4) 0.064(5) Uani 1 1 d G U . . .
H03A H 0.658443 1.006143 0.411049 0.076 Uiso 1 1 calc R . . . .
C02A C 0.6900(8) 0.9386(5) 0.3819(4) 0.061(5) Uani 1 1 d G U . . .
C029 C 0.4881(8) 0.6701(6) 0.1614(4) 0.054(4) Uani 1 1 d . U . . .
C044 C 0.4695(7) 0.6271(7) 0.1366(5) 0.070(6) Uani 1 1 d G U . . .
H044 H 0.417091 0.615029 0.132813 0.084 Uiso 1 1 calc R . . . .
C19 C 0.5277(10) 0.6017(6) 0.1174(5) 0.092(8) Uani 1 1 d G U . . .
H19 H 0.515076 0.572262 0.100436 0.110 Uiso 1 1 calc R . . . .
C02J C 0.6045(9) 0.6193(7) 0.1230(5) 0.080(7) Uani 1 1 d G U . . .
H02J H 0.644254 0.601939 0.109824 0.096 Uiso 1 1 calc R . . . .
C035 C 0.6230(7) 0.6623(8) 0.1478(6) 0.098(9) Uani 1 1 d G U . . .
H035 H 0.675448 0.674383 0.151588 0.117 Uiso 1 1 calc R . . . .
C03V C 0.5648(10) 0.6877(7) 0.1670(5) 0.116(11) Uani 1 1 d G U . . .
H03V H 0.577464 0.717152 0.183964 0.139 Uiso 1 1 calc R . . . .
C02E C 0.5025(9) 1.0243(6) 0.3800(3) 0.072(6) Uani 1 1 d . U . . .
H02E H 0.490165 1.028474 0.406039 0.087 Uiso 1 1 calc R . . . .
C01X C 0.4995(8) 0.9731(5) 0.3631(3) 0.049(4) Uani 1 1 d G U . . .
C034 C 0.5175(9) 0.9669(5) 0.3250(4) 0.064(5) Uani 1 1 d G U . . .
H034 H 0.515494 0.931944 0.313433 0.076 Uiso 1 1 calc R . . . .
C02X C 0.5385(10) 1.0119(6) 0.3039(3) 0.088(8) Uani 1 1 d G U . . .
H02X H 0.550762 1.007690 0.277893 0.105 Uiso 1 1 calc R . . . .
C02M C 0.5414(9) 1.0631(5) 0.3209(4) 0.070(6) Uani 1 1 d G U . . .
H02M H 0.555732 1.093827 0.306425 0.084 Uiso 1 1 calc R . . . .
C03E C 0.5234(9) 1.0692(5) 0.3589(4) 0.076(6) Uani 1 1 d G U . . .
H03E H 0.525434 1.104221 0.370498 0.091 Uiso 1 1 calc R . . . .
C13 C 0.7761(10) 0.6290(7) 0.4222(4) 0.080(7) Uani 1 1 d D U . . .
N02F N 0.7308(9) 0.6568(7) 0.4473(5) 0.109(8) Uani 1 1 d DG U . . .
C1AA C 0.7513(11) 0.6563(8) 0.4866(5) 0.108(10) Uani 1 1 d DG U . . .
H1AA H 0.720345 0.675281 0.503775 0.129 Uiso 1 1 calc R . . . .
C15 C 0.8170(11) 0.6279(8) 0.5008(4) 0.077(7) Uani 1 1 d DG U . . .
H15 H 0.830925 0.627472 0.527630 0.093 Uiso 1 1 calc R . . . .
C3AA C 0.8622(9) 0.6000(8) 0.4756(5) 0.124(12) Uani 1 1 d DG U . . .
H3AA H 0.907087 0.580632 0.485334 0.149 Uiso 1 1 calc R . . . .
C9 C 0.8417(9) 0.6006(7) 0.4364(5) 0.071(6) Uani 1 1 d DG U . . .
H9 H 0.872668 0.581601 0.419181 0.085 Uiso 1 1 calc R . . . .
C02P C 0.6281(8) 0.9305(7) 0.5025(3) 0.072(6) Uani 1 1 d . U . . .
H02P H 0.660718 0.934364 0.525472 0.087 Uiso 1 1 calc R . . . .
C02I C 0.6609(6) 0.9208(6) 0.4677(4) 0.064(5) Uani 1 1 d G U . . .
H02I H 0.715860 0.917980 0.466974 0.077 Uiso 1 1 calc R . . . .
C01W C 0.6132(7) 0.9152(6) 0.4341(3) 0.058(5) Uani 1 1 d G U . . .
C01G C 0.5328(7) 0.9193(6) 0.4353(3) 0.053(4) Uani 1 1 d G U . . .
C03J C 0.5000(6) 0.9290(6) 0.4700(4) 0.067(6) Uani 1 1 d G U . . .
H03J H 0.445048 0.931842 0.470790 0.080 Uiso 1 1 calc R . . . .
C03B C 0.5477(8) 0.9346(7) 0.5036(3) 0.073(6) Uani 1 1 d G U . . .
H03B H 0.525310 0.941295 0.527381 0.088 Uiso 1 1 calc R . . . .
C02S C 0.0905(8) 0.8413(6) 0.3648(4) 0.072(6) Uani 1 1 d . U . . .
H02S H 0.062685 0.871104 0.374476 0.086 Uiso 1 1 calc R . . . .
C20 C 0.0804(9) 0.7894(7) 0.3795(4) 0.081(7) Uani 1 1 d G U . . .
H20 H 0.045635 0.783831 0.399242 0.097 Uiso 1 1 calc R . . . .
C6 C 0.1211(10) 0.7458(5) 0.3654(5) 0.091(8) Uani 1 1 d G U . . .
H6 H 0.114206 0.710350 0.375497 0.110 Uiso 1 1 calc R . . . .
C03Y C 0.1720(9) 0.7540(5) 0.3366(5) 0.072(6) Uani 1 1 d G U . . .
H03Y H 0.199828 0.724140 0.326984 0.087 Uiso 1 1 calc R . . . .
C017 C 0.1821(8) 0.8058(6) 0.3219(4) 0.055(5) Uani 1 1 d G U . . .
C021 C 0.1414(8) 0.8495(5) 0.3360(4) 0.060(5) Uani 1 1 d G U . . .
H021 H 0.148308 0.884894 0.325963 0.072 Uiso 1 1 calc R . . . .
C03U C 0.6014(9) 0.9145(6) 0.1376(3) 0.086(8) Uani 1 1 d . U . . .
H03U H 0.596934 0.942391 0.118724 0.104 Uiso 1 1 calc R . . . .
C014 C 0.5617(7) 0.9190(4) 0.1709(3) 0.042(4) Uani 1 1 d G U . . .
H014 H 0.530078 0.949922 0.174799 0.051 Uiso 1 1 calc R . . . .
C01C C 0.5683(7) 0.8783(5) 0.1986(3) 0.046(4) Uani 1 1 d DG U . . .
N4 N 0.6147(8) 0.8331(5) 0.1930(4) 0.077(5) Uani 1 1 d DG U . . .
C038 C 0.6544(8) 0.8286(5) 0.1597(4) 0.078(7) Uani 1 1 d DG U . . .
H038 H 0.686030 0.797672 0.155810 0.094 Uiso 1 1 calc R . . . .
C03S C 0.6478(9) 0.8693(7) 0.1320(4) 0.078(7) Uani 1 1 d G U . . .
H03S H 0.674911 0.866265 0.109229 0.094 Uiso 1 1 calc R . . . .
C67 C 0.1901(12) 0.6193(9) 0.4745(5) 0.106(4) Uani 1 1 d D U . . .
H67 H 0.169443 0.612219 0.498612 0.127 Uiso 1 1 calc R . . . .
C34 C 0.1746(11) 0.5838(7) 0.4439(6) 0.104(4) Uani 1 1 d DG U . . .
H34 H 0.143340 0.552514 0.447054 0.125 Uiso 1 1 calc R . . . .
C49 C 0.2049(12) 0.5941(8) 0.4086(5) 0.105(4) Uani 1 1 d DG U . . .
H49 H 0.194291 0.569885 0.387664 0.126 Uiso 1 1 calc R . . . .
N0AA N 0.2507(11) 0.6399(9) 0.4039(5) 0.103(3) Uani 1 1 d DG U . . .
C03Z C 0.2662(11) 0.6754(7) 0.4346(6) 0.101(3) Uani 1 1 d DG U . . .
C41 C 0.2359(12) 0.6651(8) 0.4698(5) 0.101(3) Uani 1 1 d DG U . . .
H41 H 0.246499 0.689296 0.490780 0.121 Uiso 1 1 calc R . . . .
C0AA C 0.4241(7) 0.8039(7) 0.5125(5) 0.080(3) Uani 1 1 d D U . . .
H0AA H 0.369610 0.805450 0.505843 0.096 Uiso 1 1 calc R . . . .
C40 C 0.4525(9) 0.8138(8) 0.5501(4) 0.084(3) Uani 1 1 d G U . . .
H40 H 0.417507 0.822126 0.569233 0.100 Uiso 1 1 calc R . . . .
C16 C 0.5322(10) 0.8116(7) 0.5598(3) 0.081(3) Uani 1 1 d G U . . .
H16 H 0.551678 0.818374 0.585518 0.097 Uiso 1 1 calc R . . . .
C17 C 0.5835(7) 0.7995(7) 0.5318(4) 0.077(3) Uani 1 1 d G U . . .
H17 H 0.637953 0.797946 0.538415 0.092 Uiso 1 1 calc R . . . .
C03O C 0.5550(9) 0.7896(7) 0.4941(4) 0.078(3) Uani 1 1 d DG U . . .
N24 N 0.4753(9) 0.7918(7) 0.4845(3) 0.082(3) Uani 1 1 d DG U . . .
N25 N 0.8256(8) 0.7049(8) 0.2983(6) 0.069(3) Uani 1 1 d D U . . .
C2AA C 0.8965(8) 0.6931(10) 0.3109(6) 0.072(3) Uani 1 1 d D U . . .
H2AA H 0.905846 0.693022 0.338059 0.086 Uiso 1 1 calc R . . . .
C03P C 0.9606(11) 0.6804(10) 0.2902(5) 0.070(3) Uani 1 1 d D U . . .
H03P H 1.010302 0.671391 0.302100 0.084 Uiso 1 1 calc R . . . .
C187 C 0.9450(10) 0.6821(10) 0.2507(6) 0.071(3) Uani 1 1 d D U . . .
H187 H 0.986251 0.676671 0.234248 0.085 Uiso 1 1 calc R . . . .
C01Z C 0.8701(9) 0.6918(9) 0.2346(6) 0.063(3) Uani 1 1 d D U . . .
H01Z H 0.861766 0.691776 0.207374 0.075 Uiso 1 1 calc R . . . .
C4AA C 0.8068(12) 0.7014(10) 0.2563(7) 0.069(6) Uani 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au01 Au02 2.7339(9) . ?
Au01 Au03 2.7475(9) . ?
Au01 Au04 2.7130(10) . ?
Au01 Au05 2.7309(9) . ?
Au01 Au06 2.7343(10) . ?
Au01 Au07 2.7607(10) . ?
Au01 Au08 2.7690(10) . ?
Au01 Au09 2.7563(11) . ?
Au01 Au0A 2.7897(11) . ?
Au01 Au0B 2.7707(11) . ?
Au01 Au0C 2.7619(11) . ?
Au01 Ag0D 2.7985(13) . ?
Au02 Au03 2.8891(10) . ?
Au02 Au05 2.8677(10) . ?
Au02 Au09 2.9163(11) . ?
Au02 Au0A 2.9339(11) . ?
Au02 Ag0D 2.8481(14) . ?
Au02 P00E 2.280(4) . ?
Au03 Au04 2.9086(10) . ?
Au03 Au08 2.8624(11) . ?
Au03 Au09 2.9074(12) . ?
Au03 Ag0D 2.9614(13) . ?
Au03 P00G 2.292(4) . ?
Au04 Au07 2.9089(11) . ?
Au04 Au08 2.9311(11) . ?
Au04 Au0B 2.8696(12) . ?
Au04 Ag0D 2.8609(14) . ?
Au04 P00I 2.289(5) . ?
Au05 Au0A 2.8555(12) . ?
Au05 Au0B 2.8297(12) . ?
Au05 Au0C 2.8995(13) . ?
Au05 Ag0D 2.9297(14) . ?
Au05 P00H 2.278(4) . ?
Au06 Au07 2.9047(11) . ?
Au06 Au08 2.8706(11) . ?
Au06 Au09 2.8332(12) . ?
Au06 Au0A 2.9379(12) . ?
Au06 Au0C 2.8811(12) . ?
Au06 P00M 2.274(5) . ?
Au07 Au08 2.9277(11) . ?
Au07 Au0B 2.9555(12) . ?
Au07 Au0C 2.8622(13) . ?
Au07 P00J 2.305(5) . ?
Au08 Au09 2.9639(12) . ?
Au08 S00K 2.357(5) . ?
Au09 Au0A 2.8809(12) . ?
Au09 S00F 2.377(5) . ?
Au0A Au0C 2.8926(14) . ?
Au0A S00N 2.375(5) . ?
Au0B Au0C 2.9512(15) . ?
Au0B Ag0D 2.8931(17) . ?
Au0B S00P 2.382(6) . ?
Au0C S00L 2.355(5) . ?
Ag0D Cl00 2.399(5) . ?
P00E C00T 1.823(9) . ?
P00E C00W 1.836(10) . ?
P00E C00V 1.854(9) . ?
S00F C4AA 1.69(2) . ?
P00G C01A 1.834(11) . ?
P00G C018 1.858(11) . ?
P00G C029 1.834(12) . ?
P00H C015 1.814(10) . ?
P00H C01I 1.847(10) . ?
P00H C010 1.796(10) . ?
P00I C00Z 1.833(10) . ?
P00I C016 1.832(11) . ?
P00I C017 1.831(11) . ?
P00J C023 1.849(11) . ?
P00J C01X 1.809(12) . ?
P00J C01G 1.835(10) . ?
S00K C01C 1.716(11) . ?
S00L C03O 1.760(13) . ?
P00M C019 1.802(12) . ?
P00M C01F 1.850(10) . ?
P00M C027 1.819(11) . ?
S00N C13 1.752(14) . ?
S00P C03Z 1.724(16) . ?
O00Q C00Y 1.387(16) . ?
O00Q C013 1.369(16) . ?
O00R C01R 1.360(15) . ?
O00R C00X 1.393(15) . ?
O00S C02A 1.407(17) . ?
O00S C01W 1.403(15) . ?
C00T C01Q 1.3900 . ?
C00T C01H 1.3900 . ?
C01Q C03F 1.3900 . ?
C03F C02V 1.3900 . ?
C02V C01K 1.3900 . ?
C01K C01H 1.3900 . ?
C02G C00W 1.3900 . ?
C02G C03G 1.3900 . ?
C00W C01P 1.3900 . ?
C01P C03T 1.3900 . ?
C03T C036 1.3900 . ?
C036 C03G 1.3900 . ?
C00Z C02C 1.3900 . ?
C00Z C024 1.3900 . ?
C02C C049 1.3900 . ?
C049 C045 1.3900 . ?
C045 C041 1.3900 . ?
C041 C024 1.3900 . ?
C015 C012 1.3900 . ?
C015 C01E 1.3900 . ?
C012 C01V 1.3900 . ?
C01V C02D 1.3900 . ?
C02D C025 1.3900 . ?
C025 C01E 1.3900 . ?
C019 C29 1.3900 . ?
C019 C01D 1.3900 . ?
C29 C65 1.3900 . ?
C65 C047 1.3900 . ?
C047 C02O 1.3900 . ?
C02O C01D 1.3900 . ?
C01A C01S 1.3900 . ?
C01A C01B 1.3900 . ?
C01S C02Q 1.3900 . ?
C02Q C02H 1.3900 . ?
C02H C03K 1.3900 . ?
C03K C01B 1.3900 . ?
C01J C03H 1.3900 . ?
C01J C00Y 1.3900 . ?
C03H C03N 1.3900 . ?
C03N C02K 1.3900 . ?
C02K C016 1.3900 . ?
C016 C00Y 1.3900 . ?
C01O C01F 1.3900 . ?
C01O C01Y 1.3900 . ?
C01F C01N 1.3900 . ?
C01N C02L 1.3900 . ?
C02L C02Z 1.3900 . ?
C02Z C01Y 1.3900 . ?
C01R C01I 1.3900 . ?
C01R C01L 1.3900 . ?
C01I C02B 1.3900 . ?
C02B C01T 1.3900 . ?
C01T C031 1.3900 . ?
C031 C01L 1.3900 . ?
C01U C010 1.3900 . ?
C01U C02N 1.3900 . ?
C010 C02U 1.3900 . ?
C02U C030 1.3900 . ?
C030 C02W 1.3900 . ?
C02W C02N 1.3900 . ?
C020 C02Y 1.3900 . ?
C020 C00U 1.3900 . ?
C02Y C011 1.3900 . ?
C011 C00V 1.3900 . ?
C00V C00X 1.3900 . ?
C00X C00U 1.3900 . ?
C023 C028 1.3900 . ?
C023 C043 1.3900 . ?
C028 C037 1.3900 . ?
C037 C032 1.3900 . ?
C032 C046 1.3900 . ?
C046 C043 1.3900 . ?
C026 C039 1.3900 . ?
C026 C018 1.3900 . ?
C039 C03M 1.3900 . ?
C03M C03D 1.3900 . ?
C03D C013 1.3900 . ?
C013 C018 1.3900 . ?
C027 C03R 1.3900 . ?
C027 C02A 1.3900 . ?
C03R C03C 1.3900 . ?
C03C C033 1.3900 . ?
C033 C03A 1.3900 . ?
C03A C02A 1.3900 . ?
C029 C044 1.3900 . ?
C029 C03V 1.3900 . ?
C044 C19 1.3900 . ?
C19 C02J 1.3900 . ?
C02J C035 1.3900 . ?
C035 C03V 1.3900 . ?
C02E C01X 1.3900 . ?
C02E C03E 1.3900 . ?
C01X C034 1.3900 . ?
C034 C02X 1.3900 . ?
C02X C02M 1.3900 . ?
C02M C03E 1.3900 . ?
C13 N02F 1.3900 . ?
C13 C9 1.3900 . ?
N02F C1AA 1.3900 . ?
C1AA C15 1.3900 . ?
C15 C3AA 1.3900 . ?
C3AA C9 1.3900 . ?
C02P C02I 1.3900 . ?
C02P C03B 1.3900 . ?
C02I C01W 1.3900 . ?
C01W C01G 1.3900 . ?
C01G C03J 1.3900 . ?
C03J C03B 1.3900 . ?
C02S C20 1.3900 . ?
C02S C021 1.3900 . ?
C20 C6 1.3900 . ?
C6 C03Y 1.3900 . ?
C03Y C017 1.3900 . ?
C017 C021 1.3900 . ?
C03U C014 1.3900 . ?
C03U C03S 1.3900 . ?
C014 C01C 1.3900 . ?
C01C N4 1.3900 . ?
N4 C038 1.3900 . ?
C038 C03S 1.3900 . ?
C67 C34 1.3900 . ?
C67 C41 1.3900 . ?
C34 C49 1.3900 . ?
C49 N0AA 1.3900 . ?
N0AA C03Z 1.3900 . ?
C03Z C41 1.3900 . ?
C0AA C40 1.3900 . ?
C0AA N24 1.3900 . ?
C40 C16 1.3900 . ?
C16 C17 1.3900 . ?
C17 C03O 1.3900 . ?
C03O N24 1.3900 . ?
N25 C2AA 1.3002(11) . ?
N25 C4AA 1.48(3) . ?
C2AA C03P 1.392(10) . ?
C03P C187 1.387(10) . ?
C187 C01Z 1.390(7) . ?
C01Z C4AA 1.387(7) . ?

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 Au03 63.61(2) . . ?
Au02 Au01 Au06 117.45(3) . . ?
Au02 Au01 Au07 178.47(3) . . ?
Au02 Au01 Au08 117.27(3) . . ?
Au02 Au01 Au09 64.17(3) . . ?
Au02 Au01 Au0A 64.16(3) . . ?
Au02 Au01 Au0B 113.88(3) . . ?
Au02 Au01 Au0C 117.15(3) . . ?
Au02 Au01 Ag0D 61.96(3) . . ?
Au03 Au01 Au07 116.87(3) . . ?
Au03 Au01 Au08 62.51(3) . . ?
Au03 Au01 Au09 63.77(3) . . ?
Au03 Au01 Au0A 116.52(3) . . ?
Au03 Au01 Au0B 117.43(4) . . ?
Au03 Au01 Au0C 177.70(4) . . ?
Au03 Au01 Ag0D 64.54(3) . . ?
Au04 Au01 Au02 115.26(3) . . ?
Au04 Au01 Au03 64.37(3) . . ?
Au04 Au01 Au05 115.49(3) . . ?
Au04 Au01 Au06 117.48(3) . . ?
Au04 Au01 Au07 64.20(3) . . ?
Au04 Au01 Au08 64.64(3) . . ?
Au04 Au01 Au09 119.30(3) . . ?
Au04 Au01 Au0A 177.77(3) . . ?
Au04 Au01 Au0B 63.10(3) . . ?
Au04 Au01 Au0C 116.40(4) . . ?
Au04 Au01 Ag0D 62.52(3) . . ?
Au05 Au01 Au02 63.30(3) . . ?
Au05 Au01 Au03 118.14(3) . . ?
Au05 Au01 Au06 116.65(3) . . ?
Au05 Au01 Au07 115.49(3) . . ?
Au05 Au01 Au08 179.35(4) . . ?
Au05 Au01 Au09 115.38(3) . . ?
Au05 Au01 Au0A 62.28(3) . . ?
Au05 Au01 Au0B 61.90(3) . . ?
Au05 Au01 Au0C 63.72(3) . . ?
Au05 Au01 Ag0D 63.98(3) . . ?
Au06 Au01 Au03 114.47(3) . . ?
Au06 Au01 Au07 63.82(3) . . ?
Au06 Au01 Au08 62.88(3) . . ?
Au06 Au01 Au09 62.13(3) . . ?
Au06 Au01 Au0A 64.25(3) . . ?
Au06 Au01 Au0B 118.39(4) . . ?
Au06 Au01 Au0C 63.23(3) . . ?
Au06 Au01 Ag0D 178.97(4) . . ?
Au07 Au01 Au08 63.94(3) . . ?
Au07 Au01 Au0A 116.33(3) . . ?
Au07 Au01 Au0B 64.60(3) . . ?
Au07 Au01 Au0C 62.43(3) . . ?
Au07 Au01 Ag0D 116.79(4) . . ?
Au08 Au01 Au0A 117.59(3) . . ?
Au08 Au01 Au0B 117.84(4) . . ?
Au08 Au01 Ag0D 116.51(4) . . ?
Au09 Au01 Au07 117.36(3) . . ?
Au09 Au01 Au08 64.88(3) . . ?
Au09 Au01 Au0A 62.59(3) . . ?
Au09 Au01 Au0B 177.26(4) . . ?
Au09 Au01 Au0C 114.38(4) . . ?
Au09 Au01 Ag0D 116.90(4) . . ?
Au0A Au01 Ag0D 115.78(4) . . ?
Au0B Au01 Au0A 114.99(3) . . ?
Au0B Au01 Ag0D 62.59(4) . . ?
Au0C Au01 Au08 115.63(4) . . ?
Au0C Au01 Au0A 62.80(3) . . ?
Au0C Au01 Au0B 64.47(3) . . ?
Au0C Au01 Ag0D 117.76(4) . . ?
Au01 Au02 Au03 58.42(2) . . ?
Au01 Au02 Au05 58.30(2) . . ?
Au01 Au02 Au09 58.29(3) . . ?
Au01 Au02 Au0A 58.84(3) . . ?
Au01 Au02 Ag0D 60.14(3) . . ?
Au03 Au02 Au09 60.11(3) . . ?
Au03 Au02 Au0A 107.94(3) . . ?
Au05 Au02 Au03 109.43(3) . . ?
Au05 Au02 Au09 106.60(3) . . ?
Au05 Au02 Au0A 58.96(3) . . ?
Au09 Au02 Au0A 59.00(3) . . ?
Ag0D Au02 Au03 62.15(3) . . ?
Ag0D Au02 Au05 61.67(3) . . ?
Ag0D Au02 Au09 110.41(4) . . ?
Ag0D Au02 Au0A 109.89(4) . . ?
P00E Au02 Au01 176.67(11) . . ?
P00E Au02 Au03 124.78(11) . . ?
P00E Au02 Au05 119.47(11) . . ?
P00E Au02 Au09 121.79(11) . . ?
P00E Au02 Au0A 118.05(12) . . ?
P00E Au02 Ag0D 121.58(12) . . ?
Au01 Au03 Au02 57.96(2) . . ?
Au01 Au03 Au04 57.24(2) . . ?
Au01 Au03 Au08 59.11(2) . . ?
Au01 Au03 Au09 58.26(3) . . ?
Au01 Au03 Ag0D 58.56(3) . . ?
Au02 Au03 Au04 105.03(3) . . ?
Au02 Au03 Au09 60.41(3) . . ?
Au02 Au03 Ag0D 58.25(3) . . ?
Au04 Au03 Ag0D 58.33(3) . . ?
Au08 Au03 Au02 109.57(3) . . ?
Au08 Au03 Au04 61.04(3) . . ?
Au08 Au03 Au09 61.81(3) . . ?
Au08 Au03 Ag0D 108.76(4) . . ?
Au09 Au03 Au04 108.49(3) . . ?
Au09 Au03 Ag0D 107.53(4) . . ?
P00G Au03 Au01 174.68(13) . . ?
P00G Au03 Au02 126.58(13) . . ?
P00G Au03 Au04 120.84(13) . . ?
P00G Au03 Au08 115.57(13) . . ?
P00G Au03 Au09 120.39(12) . . ?
P00G Au03 Ag0D 125.49(13) . . ?
Au01 Au04 Au03 58.39(2) . . ?
Au01 Au04 Au07 58.70(3) . . ?
Au01 Au04 Au08 58.61(3) . . ?
Au01 Au04 Au0B 59.43(3) . . ?
Au01 Au04 Ag0D 60.21(3) . . ?
Au03 Au04 Au07 107.56(3) . . ?
Au03 Au04 Au08 58.70(3) . . ?
Au07 Au04 Au08 60.17(3) . . ?
Au0B Au04 Au03 109.40(3) . . ?
Au0B Au04 Au07 61.52(3) . . ?
Au0B Au04 Au08 109.74(3) . . ?
Ag0D Au04 Au03 61.76(3) . . ?
Ag0D Au04 Au07 110.29(4) . . ?
Ag0D Au04 Au08 109.65(4) . . ?
Ag0D Au04 Au0B 60.64(4) . . ?
P00I Au04 Au01 177.31(13) . . ?
P00I Au04 Au03 120.32(13) . . ?
P00I Au04 Au07 123.75(13) . . ?
P00I Au04 Au08 123.18(13) . . ?
P00I Au04 Au0B 120.18(13) . . ?
P00I Au04 Ag0D 117.15(13) . . ?
Au01 Au05 Au02 58.40(2) . . ?
Au01 Au05 Au0A 59.87(3) . . ?
Au01 Au05 Au0B 59.74(3) . . ?
Au01 Au05 Au0C 58.66(3) . . ?
Au01 Au05 Ag0D 59.13(3) . . ?
Au02 Au05 Au0C 108.81(3) . . ?
Au02 Au05 Ag0D 58.84(3) . . ?
Au0A Au05 Au02 61.68(3) . . ?
Au0A Au05 Au0C 60.34(3) . . ?
Au0A Au05 Ag0D 109.80(4) . . ?
Au0B Au05 Au02 108.14(3) . . ?
Au0B Au05 Au0A 111.14(4) . . ?
Au0B Au05 Au0C 62.00(4) . . ?
Au0B Au05 Ag0D 60.28(4) . . ?
Au0C Au05 Ag0D 109.50(4) . . ?
P00H Au05 Au01 176.87(13) . . ?
P00H Au05 Au02 122.68(13) . . ?
P00H Au05 Au0A 117.64(13) . . ?
P00H Au05 Au0B 121.15(13) . . ?
P00H Au05 Au0C 118.72(12) . . ?
P00H Au05 Ag0D 124.00(13) . . ?
Au01 Au06 Au07 58.53(3) . . ?
Au01 Au06 Au08 59.15(3) . . ?
Au01 Au06 Au09 59.32(3) . . ?
Au01 Au06 Au0A 58.79(3) . . ?
Au01 Au06 Au0C 58.85(3) . . ?
Au07 Au06 Au0A 107.62(3) . . ?
Au08 Au06 Au07 60.92(3) . . ?
Au08 Au06 Au0A 109.87(3) . . ?
Au08 Au06 Au0C 108.95(4) . . ?
Au09 Au06 Au07 110.44(3) . . ?
Au09 Au06 Au08 62.61(3) . . ?
Au09 Au06 Au0A 59.86(3) . . ?
Au09 Au06 Au0C 108.51(4) . . ?
Au0C Au06 Au07 59.30(3) . . ?
Au0C Au06 Au0A 59.61(3) . . ?
P00M Au06 Au01 179.74(15) . . ?
P00M Au06 Au07 121.72(14) . . ?
P00M Au06 Au08 120.97(13) . . ?
P00M Au06 Au09 120.50(13) . . ?
P00M Au06 Au0A 120.98(14) . . ?
P00M Au06 Au0C 121.18(13) . . ?
Au01 Au07 Au04 57.11(2) . . ?
Au01 Au07 Au06 57.65(2) . . ?
Au01 Au07 Au08 58.17(2) . . ?
Au01 Au07 Au0B 57.87(3) . . ?
Au01 Au07 Au0C 58.80(3) . . ?
Au04 Au07 Au08 60.29(3) . . ?
Au04 Au07 Au0B 58.59(3) . . ?
Au06 Au07 Au04 106.45(3) . . ?
Au06 Au07 Au08 58.97(3) . . ?
Au06 Au07 Au0B 107.58(3) . . ?
Au08 Au07 Au0B 107.49(3) . . ?
Au0C Au07 Au04 107.47(3) . . ?
Au0C Au07 Au06 59.94(3) . . ?
Au0C Au07 Au08 107.89(3) . . ?
Au0C Au07 Au0B 60.94(3) . . ?
P00J Au07 Au01 174.14(13) . . ?
P00J Au07 Au04 127.88(14) . . ?
P00J Au07 Au06 119.88(14) . . ?
P00J Au07 Au08 126.07(13) . . ?
P00J Au07 Au0B 120.78(13) . . ?
P00J Au07 Au0C 115.36(13) . . ?
Au01 Au08 Au03 58.38(3) . . ?
Au01 Au08 Au04 56.76(2) . . ?
Au01 Au08 Au06 57.97(3) . . ?
Au01 Au08 Au07 57.89(2) . . ?
Au01 Au08 Au09 57.35(3) . . ?
Au03 Au08 Au04 60.26(3) . . ?
Au03 Au08 Au06 107.04(3) . . ?
Au03 Au08 Au07 108.30(3) . . ?
Au03 Au08 Au09 59.84(3) . . ?
Au04 Au08 Au09 106.38(3) . . ?
Au06 Au08 Au04 106.76(3) . . ?
Au06 Au08 Au07 60.12(3) . . ?
Au06 Au08 Au09 58.08(3) . . ?
Au07 Au08 Au04 59.54(3) . . ?
Au07 Au08 Au09 106.25(3) . . ?
S00K Au08 Au01 173.73(14) . . ?
S00K Au08 Au03 121.75(14) . . ?
S00K Au08 Au04 117.33(14) . . ?
S00K Au08 Au06 125.44(14) . . ?
S00K Au08 Au07 118.13(13) . . ?
S00K Au08 Au09 128.70(13) . . ?
Au01 Au09 Au02 57.54(3) . . ?
Au01 Au09 Au03 57.97(3) . . ?
Au01 Au09 Au06 58.55(3) . . ?
Au01 Au09 Au08 57.77(3) . . ?
Au01 Au09 Au0A 59.27(3) . . ?
Au02 Au09 Au08 106.08(3) . . ?
Au03 Au09 Au02 59.48(3) . . ?
Au03 Au09 Au08 58.35(3) . . ?
Au06 Au09 Au02 108.75(3) . . ?
Au06 Au09 Au03 106.83(3) . . ?
Au06 Au09 Au08 59.31(3) . . ?
Au06 Au09 Au0A 61.87(3) . . ?
Au0A Au09 Au02 60.80(3) . . ?
Au0A Au09 Au03 108.89(4) . . ?
Au0A Au09 Au08 108.86(4) . . ?
S00F Au09 Au01 178.32(13) . . ?
S00F Au09 Au02 121.42(13) . . ?
S00F Au09 Au03 120.45(12) . . ?
S00F Au09 Au06 123.03(13) . . ?
S00F Au09 Au08 122.21(13) . . ?
S00F Au09 Au0A 121.68(12) . . ?
Au01 Au0A Au02 57.00(3) . . ?
Au01 Au0A Au05 57.85(3) . . ?
Au01 Au0A Au06 56.96(3) . . ?
Au01 Au0A Au09 58.14(3) . . ?
Au01 Au0A Au0C 58.13(3) . . ?
Au02 Au0A Au06 105.49(3) . . ?
Au05 Au0A Au02 59.37(3) . . ?
Au05 Au0A Au06 106.79(3) . . ?
Au05 Au0A Au09 107.89(4) . . ?
Au05 Au0A Au0C 60.58(3) . . ?
Au09 Au0A Au02 60.20(3) . . ?
Au09 Au0A Au06 58.27(3) . . ?
Au09 Au0A Au0C 106.90(4) . . ?
Au0C Au0A Au02 107.20(4) . . ?
Au0C Au0A Au06 59.22(3) . . ?
S00N Au0A Au01 174.17(15) . . ?
S00N Au0A Au02 117.18(15) . . ?
S00N Au0A Au05 120.35(14) . . ?
S00N Au0A Au06 127.53(14) . . ?
S00N Au0A Au09 119.82(14) . . ?
S00N Au0A Au0C 126.68(15) . . ?
Au01 Au0B Au04 57.47(3) . . ?
Au01 Au0B Au05 58.36(3) . . ?
Au01 Au0B Au07 57.54(3) . . ?
Au01 Au0B Au0C 57.62(3) . . ?
Au01 Au0B Ag0D 59.17(3) . . ?
Au04 Au0B Au07 59.89(3) . . ?
Au04 Au0B Au0C 106.14(4) . . ?
Au04 Au0B Ag0D 59.53(3) . . ?
Au05 Au0B Au04 107.76(4) . . ?
Au05 Au0B Au07 106.77(4) . . ?
Au05 Au0B Au0C 60.16(3) . . ?
Au05 Au0B Ag0D 61.57(3) . . ?
Au0C Au0B Au07 57.97(3) . . ?
Ag0D Au0B Au07 108.10(4) . . ?
Ag0D Au0B Au0C 109.08(4) . . ?
S00P Au0B Au01 174.4(2) . . ?
S00P Au0B Au04 127.9(2) . . ?
S00P Au0B Au05 118.0(2) . . ?
S00P Au0B Au07 122.44(19) . . ?
S00P Au0B Au0C 117.1(2) . . ?
S00P Au0B Ag0D 123.89(19) . . ?
Au01 Au0C Au05 57.62(3) . . ?
Au01 Au0C Au06 57.92(3) . . ?
Au01 Au0C Au07 58.76(3) . . ?
Au01 Au0C Au0A 59.07(3) . . ?
Au01 Au0C Au0B 57.91(3) . . ?
Au05 Au0C Au0B 57.84(3) . . ?
Au06 Au0C Au05 107.14(3) . . ?
Au06 Au0C Au0A 61.17(3) . . ?
Au06 Au0C Au0B 108.33(4) . . ?
Au07 Au0C Au05 107.42(4) . . ?
Au07 Au0C Au06 60.76(3) . . ?
Au07 Au0C Au0A 110.04(4) . . ?
Au07 Au0C Au0B 61.09(3) . . ?
Au0A Au0C Au05 59.07(3) . . ?
Au0A Au0C Au0B 106.72(4) . . ?
S00L Au0C Au01 169.74(16) . . ?
S00L Au0C Au05 131.25(15) . . ?
S00L Au0C Au06 111.90(16) . . ?
S00L Au0C Au07 116.54(16) . . ?
S00L Au0C Au0A 118.77(16) . . ?
S00L Au0C Au0B 129.51(16) . . ?
Au01 Ag0D Au02 57.91(3) . . ?
Au01 Ag0D Au03 56.90(3) . . ?
Au01 Ag0D Au04 57.28(3) . . ?
Au01 Ag0D Au05 56.89(3) . . ?
Au01 Ag0D Au0B 58.23(3) . . ?
Au02 Ag0D Au03 59.60(3) . . ?
Au02 Ag0D Au04 107.38(4) . . ?
Au02 Ag0D Au05 59.49(3) . . ?
Au02 Ag0D Au0B 106.94(5) . . ?
Au04 Ag0D Au03 59.91(3) . . ?
Au04 Ag0D Au05 105.32(4) . . ?
Au04 Ag0D Au0B 59.83(3) . . ?
Au05 Ag0D Au03 105.82(4) . . ?
Au0B Ag0D Au03 107.32(4) . . ?
Au0B Ag0D Au05 58.15(4) . . ?
Cl00 Ag0D Au01 178.24(14) . . ?
Cl00 Ag0D Au02 123.22(17) . . ?
Cl00 Ag0D Au03 122.16(15) . . ?
Cl00 Ag0D Au04 121.02(15) . . ?
Cl00 Ag0D Au05 124.74(14) . . ?
Cl00 Ag0D Au0B 121.67(17) . . ?
C00T P00E Au02 113.3(4) . . ?
C00T P00E C00W 106.6(6) . . ?
C00T P00E C00V 102.1(6) . . ?
C00W P00E Au02 112.7(5) . . ?
C00W P00E C00V 103.1(6) . . ?
C00V P00E Au02 117.7(4) . . ?
C4AA S00F Au09 107.7(7) . . ?
C01A P00G Au03 115.5(5) . . ?
C01A P00G C018 103.8(7) . . ?
C018 P00G Au03 112.9(5) . . ?
C029 P00G Au03 112.5(5) . . ?
C029 P00G C01A 106.7(7) . . ?
C029 P00G C018 104.5(7) . . ?
C015 P00H Au05 116.5(4) . . ?
C015 P00H C01I 105.4(6) . . ?
C01I P00H Au05 111.9(4) . . ?
C010 P00H Au05 110.1(5) . . ?
C010 P00H C015 105.1(6) . . ?
C010 P00H C01I 107.2(6) . . ?
C00Z P00I Au04 112.2(5) . . ?
C016 P00I Au04 118.8(5) . . ?
C016 P00I C00Z 104.5(7) . . ?
C017 P00I Au04 112.2(5) . . ?
C017 P00I C00Z 105.6(7) . . ?
C017 P00I C016 102.4(7) . . ?
C023 P00J Au07 110.2(5) . . ?
C01X P00J Au07 116.4(5) . . ?
C01X P00J C023 105.2(7) . . ?
C01X P00J C01G 103.7(7) . . ?
C01G P00J Au07 114.1(5) . . ?
C01G P00J C023 106.4(7) . . ?
C01C S00K Au08 109.2(4) . . ?
C03O S00L Au0C 106.7(6) . . ?
C019 P00M Au06 114.4(5) . . ?
C019 P00M C01F 104.2(7) . . ?
C019 P00M C027 104.0(7) . . ?
C01F P00M Au06 111.4(5) . . ?
C027 P00M Au06 117.7(5) . . ?
C027 P00M C01F 103.7(7) . . ?
C13 S00N Au0A 106.8(6) . . ?
C03Z S00P Au0B 107.4(8) . . ?
C013 O00Q C00Y 117.9(12) . . ?
C01R O00R C00X 117.3(12) . . ?
C01W O00S C02A 116.5(12) . . ?
C01Q C00T P00E 121.4(7) . . ?
C01Q C00T C01H 120.0 . . ?
C01H C00T P00E 118.5(6) . . ?
C03F C01Q C00T 120.0 . . ?
C02V C03F C01Q 120.0 . . ?
C03F C02V C01K 120.0 . . ?
C01H C01K C02V 120.0 . . ?
C01K C01H C00T 120.0 . . ?
C00W C02G C03G 120.0 . . ?
C02G C00W P00E 118.6(7) . . ?
C01P C00W P00E 121.3(7) . . ?
C01P C00W C02G 120.0 . . ?
C03T C01P C00W 120.0 . . ?
C01P C03T C036 120.0 . . ?
C03T C036 C03G 120.0 . . ?
C036 C03G C02G 120.0 . . ?
C02C C00Z P00I 120.5(7) . . ?
C02C C00Z C024 120.0 . . ?
C024 C00Z P00I 119.5(7) . . ?
C049 C02C C00Z 120.0 . . ?
C045 C049 C02C 120.0 . . ?
C049 C045 C041 120.0 . . ?
C024 C041 C045 120.0 . . ?
C041 C024 C00Z 120.0 . . ?
C012 C015 P00H 119.6(7) . . ?
C012 C015 C01E 120.0 . . ?
C01E C015 P00H 120.4(7) . . ?
C015 C012 C01V 120.0 . . ?
C02D C01V C012 120.0 . . ?
C01V C02D C025 120.0 . . ?
C01E C025 C02D 120.0 . . ?
C025 C01E C015 120.0 . . ?
C29 C019 P00M 122.8(9) . . ?
C29 C019 C01D 120.0 . . ?
C01D C019 P00M 116.7(9) . . ?
C65 C29 C019 120.0 . . ?
C29 C65 C047 120.0 . . ?
C65 C047 C02O 120.0 . . ?
C01D C02O C047 120.0 . . ?
C02O C01D C019 120.0 . . ?
C01S C01A P00G 122.6(7) . . ?
C01S C01A C01B 120.0 . . ?
C01B C01A P00G 117.4(7) . . ?
C02Q C01S C01A 120.0 . . ?
C01S C02Q C02H 120.0 . . ?
C03K C02H C02Q 120.0 . . ?
C02H C03K C01B 120.0 . . ?
C03K C01B C01A 120.0 . . ?
C03H C01J C00Y 120.0 . . ?
C01J C03H C03N 120.0 . . ?
C02K C03N C03H 120.0 . . ?
C03N C02K C016 120.0 . . ?
C02K C016 P00I 122.4(8) . . ?
C00Y C016 P00I 116.9(8) . . ?
C00Y C016 C02K 120.0 . . ?
O00Q C00Y C01J 124.3(10) . . ?
O00Q C00Y C016 115.6(10) . . ?
C016 C00Y C01J 120.0 . . ?
C01F C01O C01Y 120.0 . . ?
C01O C01F P00M 117.9(7) . . ?
C01O C01F C01N 120.0 . . ?
C01N C01F P00M 122.0(7) . . ?
C02L C01N C01F 120.0 . . ?
C01N C02L C02Z 120.0 . . ?
C02L C02Z C01Y 120.0 . . ?
C02Z C01Y C01O 120.0 . . ?
O00R C01R C01I 117.8(10) . . ?
O00R C01R C01L 122.1(10) . . ?
C01I C01R C01L 120.0 . . ?
C01R C01I P00H 118.9(7) . . ?
C02B C01I P00H 121.0(7) . . ?
C02B C01I C01R 120.0 . . ?
C01I C02B C01T 120.0 . . ?
C02B C01T C031 120.0 . . ?
C01L C031 C01T 120.0 . . ?
C031 C01L C01R 120.0 . . ?
C010 C01U C02N 120.0 . . ?
C01U C010 P00H 116.6(7) . . ?
C02U C010 P00H 123.3(7) . . ?
C02U C010 C01U 120.0 . . ?
C010 C02U C030 120.0 . . ?
C02W C030 C02U 120.0 . . ?
C02N C02W C030 120.0 . . ?
C02W C02N C01U 120.0 . . ?
C02Y C020 C00U 120.0 . . ?
C011 C02Y C020 120.0 . . ?
C02Y C011 C00V 120.0 . . ?
C011 C00V P00E 121.1(6) . . ?
C011 C00V C00X 120.0 . . ?
C00X C00V P00E 118.2(6) . . ?
C00V C00X O00R 116.0(9) . . ?
C00U C00X O00R 123.7(9) . . ?
C00U C00X C00V 120.0 . . ?
C00X C00U C020 120.0 . . ?
C028 C023 P00J 123.2(9) . . ?
C028 C023 C043 120.0 . . ?
C043 C023 P00J 116.8(9) . . ?
C037 C028 C023 120.0 . . ?
C028 C037 C032 120.0 . . ?
C046 C032 C037 120.0 . . ?
C032 C046 C043 120.0 . . ?
C046 C043 C023 120.0 . . ?
C039 C026 C018 120.0 . . ?
C03M C039 C026 120.0 . . ?
C03D C03M C039 120.0 . . ?
C013 C03D C03M 120.0 . . ?
O00Q C013 C03D 118.7(11) . . ?
O00Q C013 C018 121.3(11) . . ?
C03D C013 C018 120.0 . . ?
C026 C018 P00G 122.0(8) . . ?
C013 C018 P00G 118.0(8) . . ?
C013 C018 C026 120.0 . . ?
C03R C027 P00M 122.4(8) . . ?
C03R C027 C02A 120.0 . . ?
C02A C027 P00M 116.8(8) . . ?
C03C C03R C027 120.0 . . ?
C03R C03C C033 120.0 . . ?
C03A C033 C03C 120.0 . . ?
C033 C03A C02A 120.0 . . ?
C027 C02A O00S 116.3(10) . . ?
C03A C02A O00S 123.1(10) . . ?
C03A C02A C027 120.0 . . ?
C044 C029 P00G 125.2(10) . . ?
C044 C029 C03V 120.0 . . ?
C03V C029 P00G 114.8(10) . . ?
C029 C044 C19 120.0 . . ?
C044 C19 C02J 120.0 . . ?
C035 C02J C19 120.0 . . ?
C02J C035 C03V 120.0 . . ?
C035 C03V C029 120.0 . . ?
C01X C02E C03E 120.0 . . ?
C02E C01X P00J 121.5(8) . . ?
C02E C01X C034 120.0 . . ?
C034 C01X P00J 118.5(8) . . ?
C01X C034 C02X 120.0 . . ?
C02M C02X C034 120.0 . . ?
C02X C02M C03E 120.0 . . ?
C02M C03E C02E 120.0 . . ?
N02F C13 S00N 127.2(10) . . ?
N02F C13 C9 120.0 . . ?
C9 C13 S00N 112.8(10) . . ?
C13 N02F C1AA 120.0 . . ?
C15 C1AA N02F 120.0 . . ?
C1AA C15 C3AA 120.0 . . ?
C9 C3AA C15 120.0 . . ?
C3AA C9 C13 120.0 . . ?
C02I C02P C03B 120.0 . . ?
C01W C02I C02P 120.0 . . ?
C02I C01W O00S 120.1(10) . . ?
C02I C01W C01G 120.0 . . ?
C01G C01W O00S 119.5(10) . . ?
C01W C01G P00J 117.7(8) . . ?
C01W C01G C03J 120.0 . . ?
C03J C01G P00J 122.3(8) . . ?
C03B C03J C01G 120.0 . . ?
C03J C03B C02P 120.0 . . ?
C20 C02S C021 120.0 . . ?
C02S C20 C6 120.0 . . ?
C20 C6 C03Y 120.0 . . ?
C017 C03Y C6 120.0 . . ?
C03Y C017 P00I 117.5(8) . . ?
C03Y C017 C021 120.0 . . ?
C021 C017 P00I 122.4(8) . . ?
C017 C021 C02S 120.0 . . ?
C014 C03U C03S 120.0 . . ?
C01C C014 C03U 120.0 . . ?
C014 C01C S00K 112.9(7) . . ?
C014 C01C N4 120.0 . . ?
N4 C01C S00K 127.1(7) . . ?
C01C N4 C038 120.0 . . ?
C03S C038 N4 120.0 . . ?
C038 C03S C03U 120.0 . . ?
C34 C67 C41 120.0 . . ?
C67 C34 C49 120.0 . . ?
C34 C49 N0AA 120.0 . . ?
C03Z N0AA C49 120.0 . . ?
N0AA C03Z S00P 127.0(13) . . ?
C41 C03Z S00P 112.6(13) . . ?
C41 C03Z N0AA 120.0 . . ?
C03Z C41 C67 120.0 . . ?
C40 C0AA N24 120.0 . . ?
C0AA C40 C16 120.0 . . ?
C40 C16 C17 120.0 . . ?
C03O C17 C16 120.0 . . ?
C17 C03O S00L 113.3(9) . . ?
N24 C03O S00L 126.7(9) . . ?
N24 C03O C17 120.0 . . ?
C03O N24 C0AA 120.0 . . ?
C2AA N25 C4AA 117.2(19) . . ?
N25 C2AA C03P 129(2) . . ?
C187 C03P C2AA 114(2) . . ?
C03P C187 C01Z 121(2) . . ?
C4AA C01Z C187 123(2) . . ?
N25 C4AA S00F 128.4(12) . . ?
C01Z C4AA S00F 116.6(17) . . ?
C01Z C4AA N25 115.0(19) . . ?

_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_auag)13-1_sq
_database_code_depnum_ccdc_archive 'CCDC 2500928'
loop_
_audit_author_name
_audit_author_address
'Cao Fang'
;Anhui University
China
;
_audit_update_record             
;
2026-01-12 deposited with the CCDC.	2026-04-10 downloaded from the CCDC.
;
_audit_creation_date             2025-10-16
_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         'C133 H104 Ag6 Au6.98 Cl N5 O3 P6 S5'
_chemical_formula_sum            'C133 H104 Ag6 Au6.39 Cl N5 O3 P6 S5'
_chemical_formula_weight         4107.61
_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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.832(3)
_cell_length_b                   16.707(3)
_cell_length_c                   29.996(5)
_cell_angle_alpha                86.323(15)
_cell_angle_beta                 88.797(14)
_cell_angle_gamma                87.481(15)
_cell_volume                     7909(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    18276
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      68.97
_cell_measurement_theta_min      2.61
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    18.331
_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            'metallic orangish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3870
_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  0.1161
_diffrn_reflns_av_unetI/netI     0.1076
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            65619
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        64.999
_diffrn_reflns_theta_max         64.999
_diffrn_reflns_theta_min         3.117
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_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                18979
_reflns_number_total             26304
_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    ?
_refine_diff_density_max         7.370
_refine_diff_density_min         -8.380
_refine_diff_density_rms         0.637
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.483
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1280
_refine_ls_number_reflns         26304
_refine_ls_number_restraints     1209
_refine_ls_R_factor_all          0.1731
_refine_ls_R_factor_gt           0.1469
_refine_ls_restrained_S_all      1.460
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3603
_refine_ls_wR_factor_ref         0.3795
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C133-C04Q = C182-C133 = C61-C04Q = C61-C123
 1.39 with sigma of 0.001
 C04Q-C182
 2.36 with sigma of 0.01
 C04Q-C123
 2.36 with sigma of 0.01
 C61-C133
 2.36 with sigma of 0.01
 N186-C182 = N186-C123
 1.34 with sigma of 0.001
 C123-C182
 2.35 with sigma of 0.01
 C04I-C02Z = C04I-C02L = C02Z-C01N = C04P-C01N
 1.39 with sigma of 0.001
 N144-C02L = N144-C04P
 1.34 with sigma of 0.001
 C02Z-C02L
 2.36 with sigma of 0.01
 C02Z-C04P
 2.36 with sigma of 0.01
 C04I-C01N
 2.36 with sigma of 0.01
 C04P-C02L
 2.35 with sigma of 0.01
 C197-C02Y = C175-C02Y = C175-C03E = C197-C118
 1.39 with sigma of 0.01
 N130-C118 = N130-C03E
 1.34 with sigma of 0.01
 C02Y-C118
 2.38 with sigma of 0.01
 C197-C175
 2.38 with sigma of 0.01
 C02Y-C03E
 2.38 with sigma of 0.01
 C118-C03E
 2.35 with sigma of 0.01
 C174-C0AA = C167-C0AA = C90-C174 = C90-C124
 1.39 with sigma of 0.01
 N95-C124 = N95-C167
 1.34 with sigma of 0.01
 C174-C167
 2.38 with sigma of 0.01
 C0AA-C90
 2.38 with sigma of 0.01
 C174-C124
 2.38 with sigma of 0.01
 C124-C167
 2.35 with sigma of 0.01
 C04E-C03W = C03W-C03S = C194-C190 = C190-C04E
 1.39 with sigma of 0.01
 C03W-C190
 2.38 with sigma of 0.01
 C04E-C194
 2.38 with sigma of 0.01
 C03S-C04E
 2.38 with sigma of 0.01
 C03S-C194
 2.34 with sigma of 0.01
 N02W-C03S = N02W-C194
 1.34 with sigma of 0.001
 S1-C90
 2.75 with sigma of 0.01
 C0AA-S1
 2.75 with sigma of 0.01
3. Restrained planarity
 C04Q, C133, C182, N186, C123, C61
 with sigma of 0.1
 S00L, C04Q, C61, C123, N186, C182, C133
 with sigma of 0.1
 S00J, C02Z, C04I, C02L, N144, C04P, C01N
 with sigma of 0.1
 S00O, C02Y, C175, C03E, N130, C118, C197
 with sigma of 0.1
 S1, C174, C0AA, C167, N95, C124, C90
 with sigma of 0.1
 S00N, C04E, C190, C194, N02W, C03S, C03W
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C04Q \\sim C61 \\sim C133 \\sim C182 \\sim N186 \\sim C123: within 3.8A with
sigma of 0.01 and sigma for terminal atoms of 0.02
S00O \\sim C02Y \\sim C197 \\sim C118 \\sim N130 \\sim C03E \\sim C175: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
S1 \\sim C90 \\sim C174 \\sim C124 \\sim N95 \\sim C167 \\sim C0AA: within 3.8A
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C00S) \\sim Ueq, Uanis(C00U) \\sim Ueq, Uanis(C013) \\sim Ueq,
Uanis(C016) \\sim Ueq, Uanis(C01C) \\sim Ueq, Uanis(C019) \\sim Ueq,
Uanis(C00V) \\sim Ueq, Uanis(C02M) \\sim Ueq, Uanis(C03K) \\sim Ueq,
Uanis(C03M) \\sim Ueq, Uanis(C011) \\sim Ueq, Uanis(C00X) \\sim Ueq,
Uanis(C00W) \\sim Ueq, Uanis(C014) \\sim Ueq, Uanis(C01U) \\sim Ueq,
Uanis(C03J) \\sim Ueq, Uanis(C034) \\sim Ueq, Uanis(C018) \\sim Ueq,
Uanis(C010) \\sim Ueq, Uanis(C037) \\sim Ueq, Uanis(C032) \\sim Ueq,
Uanis(C04B) \\sim Ueq, Uanis(C025) \\sim Ueq, Uanis(C02E) \\sim Ueq,
Uanis(C01B) \\sim Ueq, Uanis(C01A) \\sim Ueq, Uanis(C80) \\sim Ueq, Uanis(C03G)
\\sim Ueq, Uanis(C035) \\sim Ueq, Uanis(C01Z) \\sim Ueq, Uanis(C01E) \\sim Ueq,
Uanis(C01I) \\sim Ueq, Uanis(C046) \\sim Ueq, Uanis(C028) \\sim Ueq,
Uanis(C022) \\sim Ueq, Uanis(C01W) \\sim Ueq, Uanis(C01F) \\sim Ueq,
Uanis(C01R) \\sim Ueq, Uanis(C01G) \\sim Ueq, Uanis(C015) \\sim Ueq,
Uanis(C03D) \\sim Ueq, Uanis(C02D) \\sim Ueq, Uanis(C01L) \\sim Ueq,
Uanis(C00Y) \\sim Ueq, Uanis(C02U) \\sim Ueq, Uanis(C03I) \\sim Ueq,
Uanis(C01J) \\sim Ueq, Uanis(C01K) \\sim Ueq, Uanis(C01N) \\sim Ueq,
Uanis(C01Q) \\sim Ueq, Uanis(C023) \\sim Ueq, Uanis(C036) \\sim Ueq,
Uanis(C039) \\sim Ueq, Uanis(C00Z) \\sim Ueq, Uanis(C01H) \\sim Ueq,
Uanis(C01T) \\sim Ueq, Uanis(C012) \\sim Ueq, Uanis(C01V) \\sim Ueq,
Uanis(C02O) \\sim Ueq, Uanis(C03C) \\sim Ueq, Uanis(C01Y) \\sim Ueq,
Uanis(C01X) \\sim Ueq, Uanis(C03V) \\sim Ueq, Uanis(C04F) \\sim Ueq,
Uanis(C04R) \\sim Ueq, Uanis(C02Q) \\sim Ueq, Uanis(C021) \\sim Ueq,
Uanis(C020) \\sim Ueq, Uanis(C01S) \\sim Ueq, Uanis(C038) \\sim Ueq, Uanis(C54)
\\sim Ueq, Uanis(C04A) \\sim Ueq, Uanis(C03H) \\sim Ueq, Uanis(C026) \\sim Ueq,
Uanis(C02G) \\sim Ueq, Uanis(C02A) \\sim Ueq, Uanis(C027) \\sim Ueq,
Uanis(C02V) \\sim Ueq, Uanis(C01D) \\sim Ueq, Uanis(C02I) \\sim Ueq,
Uanis(C045) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C03B) \\sim Ueq, Uanis(C105)
\\sim Ueq, Uanis(C03P) \\sim Ueq, Uanis(C02J) \\sim Ueq, Uanis(C048) \\sim Ueq,
Uanis(C04S) \\sim Ueq, Uanis(C159) \\sim Ueq, Uanis(C04M) \\sim Ueq,
Uanis(C03T) \\sim Ueq, Uanis(C02K) \\sim Ueq, Uanis(C040) \\sim Ueq,
Uanis(C02S) \\sim Ueq, Uanis(C029) \\sim Ueq, Uanis(C017) \\sim Ueq,
Uanis(C02B) \\sim Ueq, Uanis(C02L) \\sim Ueq, Uanis(C02Z) \\sim Ueq,
Uanis(C03S) \\sim Ueq, Uanis(C03W) \\sim Ueq, Uanis(C03X) \\sim Ueq,
Uanis(C02T) \\sim Ueq, Uanis(C03A) \\sim Ueq, Uanis(C02P) \\sim Ueq,
Uanis(C030) \\sim Ueq, Uanis(C031) \\sim Ueq, Uanis(C044) \\sim Ueq,
Uanis(C04D) \\sim Ueq, Uanis(C02N) \\sim Ueq, Uanis(C152) \\sim Ueq, Uanis(C69)
\\sim Ueq, Uanis(C98) \\sim Ueq, Uanis(C04E) \\sim Ueq, Uanis(C04I) \\sim Ueq,
Uanis(C04P) \\sim Ueq, Uanis(C04Q) \\sim Ueq, Uanis(C118) \\sim Ueq,
Uanis(C03E) \\sim Ueq, Uanis(C175) \\sim Ueq, Uanis(C02Y) \\sim Ueq,
Uanis(C197) \\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C133) \\sim Ueq, Uanis(C182)
\\sim Ueq, Uanis(C190) \\sim Ueq, Uanis(C123) \\sim Ueq, Uanis(C90) \\sim Ueq,
Uanis(C124) \\sim Ueq, Uanis(C167) \\sim Ueq, Uanis(C174) \\sim Ueq,
Uanis(C0AA) \\sim Ueq, Uanis(C194) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(N02W) \\sim Ueq, Uanis(N130) \\sim Ueq, Uanis(N186) \\sim Ueq,
Uanis(N144) \\sim Ueq, Uanis(N95) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
5.a Aromatic/amide H refined with riding coordinates:
 C013(H013), C016(H016), C01C(H01C), C019(H019), C00V(H00V), C02M(H02M),
 C03K(H03K), C03M(H03M), C011(H011), C01U(H01U), C03J(H03J), C034(H034),
 C018(H018), C037(H037), C032(H032), C04B(H04B), C025(H025), C01A(H01A),
 C80(H80), C03G(H03G), C035(H035), C01Z(H01Z), C01I(H01I), C046(H046),
 C028(H028), C022(H022), C01W(H01W), C01R(H01R), C01G(H01G), C015(H015),
 C03D(H03D), C02D(H02D), C01L(H01L), C00Y(H00Y), C02U(H02U), C03I(H03I),
 C01J(H01J), C01N(H01N), C01Q(H01Q), C023(H023), C036(H036), C039(H039),
 C00Z(H00Z), C012(H012), C01V(H01V), C02O(H02O), C03C(H03C), C01Y(H01Y),
 C03V(H03V), C04F(H04F), C04R(H04R), C02Q(H02Q), C038(H038), C54(H54),
 C04A(H04A), C03H(H03H), C02G(H02G), C02A(H02A), C027(H027), C02V(H02V),
 C045(H045), C59(H59), C03B(H03B), C105(H105), C03P(H03P), C02J(H02J),
 C04S(H04S), C159(H159), C04M(H04M), C03T(H03T), C02K(H02K), C040(H040),
 C02S(H02S), C029(H029), C017(H017), C02L(H02L), C03S(H03S), C03W(H03W),
 C03X(H03X), C02T(H02T), C02P(H02P), C030(H030), C031(H031), C044(H044),
 C02N(H02N), C152(H152), C69(H69), C98(H98), C04I(H04I), C04P(H04P), C118(H118),
  C03E(H03E), C175(H175), C197(H197), C61(H61), C133(H133), C182(H182),
 C190(H190), C123(H123), C90(H90), C124(H124), C167(H167), C0AA(H0AA),
 C194(H194)
5.b Fitted hexagon refined as free rotating group:
 C00S(C00U,C013,C016,C01C,C019), C00V(C02M,C03K,C03M,C011,C00X), C00W(C014,
 C01U,C03J,C034,C018), C010(C037,C032,C04B,C025,C02E), C01B(C01A,C80,C03G,C035,
 C01Z), C01E(C01I,C046,C028,C022,C01W), C01F(C01R,C01G,C015,C03D,C02D),
 C01L(C00Y,C02U,C03I,C01J,C01K), C01Q(C023,C036,C039,C00Z,C01H), C01T(C012,C01V,
 C02O,C03C,C01Y), C01X(C03V,C04F,C04R,C02Q,C021), C020(C01S,C038,C54,C04A,C03H),
  C026(C02G,C02A,C027,C02V,C01D), C02I(C045,C59,C03B,C105,C03P), C02J(C048,C04S,
 C159,C04M,C03T), C02K(C040,C02S,C029,C017,C02B), C03X(C02T,C03A,C02P,C030,
 C031), C044(C04D,C02N,C152,C69,C98)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.37287(6) 0.31462(4) 0.25498(3) 0.0299(3) Uani 0.982(4) 1 d . . . . .
Au02 Au 0.42327(6) 0.37857(5) 0.33084(3) 0.0331(3) Uani 1 1 d . . . . .
Au03 Au 0.42214(7) 0.38580(5) 0.17473(3) 0.0354(3) Uani 1 1 d . . . . .
Au04 Au 0.36394(6) 0.15202(5) 0.25589(3) 0.0346(3) Uani 1 1 d . . . . .
Au05 Au 0.49401(6) 0.22708(5) 0.30169(3) 0.0324(2) Uani 1 1 d . . . . .
Au06 Au 0.38557(6) 0.47706(5) 0.25040(3) 0.0346(3) Uani 1 1 d . . . . .
Au07 Au 0.21500(6) 0.25466(5) 0.25774(3) 0.0378(3) Uani 1 1 d . . . . .
Ag08 Ag 0.25076(9) 0.40433(8) 0.20603(5) 0.0267(3) Uani 1 1 d . . . . .
Ag09 Ag 0.32068(10) 0.23948(7) 0.33615(4) 0.0265(3) Uani 1 1 d . . . . .
Ag0A Ag 0.31571(10) 0.25090(8) 0.17764(5) 0.0299(3) Uani 1 1 d . . . . .
Ag0B Ag 0.24823(10) 0.39703(7) 0.30176(5) 0.0288(3) Uani 1 1 d . . . . .
Ag0C Ag 0.53562(10) 0.37371(8) 0.25186(5) 0.0318(4) Uani 1 1 d . . . . .
Ag0D Ag 0.49536(10) 0.23427(7) 0.20470(5) 0.0301(3) Uani 1 1 d . . . . .
P00E P 0.3916(4) 0.6140(3) 0.24621(19) 0.0376(14) Uani 1 1 d . . . . .
P00F P 0.3556(4) 0.0162(3) 0.2532(2) 0.0378(13) Uani 1 1 d . . . . .
P00G P 0.4579(4) 0.4469(3) 0.10716(18) 0.0374(13) Uani 1 1 d . . . . .
P00H P 0.5957(4) 0.1521(3) 0.34083(19) 0.0363(13) Uani 1 1 d . . . . .
P00I P 0.4641(4) 0.4240(3) 0.39793(17) 0.0350(13) Uani 1 1 d . . . . .
S00J S 0.2905(5) 0.1673(4) 0.4060(2) 0.0530(17) Uani 1 1 d . . . . .
P00K P 0.0829(4) 0.2047(4) 0.2553(2) 0.0439(15) Uani 1 1 d . . . . .
S00L S 0.1449(5) 0.4632(4) 0.3457(2) 0.0531(16) Uani 1 1 d . . . . .
Cl00 Cl 0.6752(4) 0.4214(5) 0.2493(2) 0.0541(15) Uani 1 1 d . . . . .
S00N S 0.5899(6) 0.1712(4) 0.1536(3) 0.073(2) Uani 1 1 d . . . . .
S00O S 0.1518(6) 0.4932(6) 0.1668(3) 0.082(2) Uani 1 1 d . U . . .
S1 S 0.2494(7) 0.1854(6) 0.1199(3) 0.093(3) Uani 1 1 d D U . . .
O00Q O 0.3745(13) 0.5830(9) 0.1496(6) 0.052(5) Uani 1 1 d . . . . .
O00R O 0.1811(13) 0.0647(9) 0.2258(7) 0.061(5) Uani 1 1 d . . . . .
C00S C 0.4445(10) 0.6684(8) 0.1975(4) 0.047(6) Uani 1 1 d . U . . .
C00U C 0.4255(10) 0.6494(8) 0.1545(5) 0.037(5) Uani 1 1 d G U . . .
C013 C 0.4565(11) 0.6949(9) 0.1178(4) 0.048(6) Uani 1 1 d G U . . .
H013 H 0.443502 0.681953 0.088452 0.058 Uiso 1 1 calc R . . . .
C016 C 0.5065(10) 0.7594(8) 0.1242(4) 0.047(6) Uani 1 1 d G U . . .
H016 H 0.527676 0.790563 0.099110 0.057 Uiso 1 1 calc R . . . .
C01C C 0.5255(10) 0.7784(8) 0.1672(5) 0.044(5) Uani 1 1 d G U . . .
H01C H 0.559694 0.822515 0.171501 0.053 Uiso 1 1 calc R . . . .
C019 C 0.4945(10) 0.7329(9) 0.2038(4) 0.045(6) Uani 1 1 d G U . . .
H019 H 0.507539 0.745856 0.233234 0.054 Uiso 1 1 calc R . . . .
O00T O 0.5284(12) 0.2565(9) 0.4085(5) 0.045(4) Uani 1 1 d . . . . .
C00V C 0.5978(11) 0.5097(10) 0.1432(4) 0.050(6) Uani 1 1 d . U . . .
H00V H 0.583871 0.477292 0.169253 0.060 Uiso 1 1 calc R . . . .
C02M C 0.6673(11) 0.5578(12) 0.1428(5) 0.082(10) Uani 1 1 d G U . . .
H02M H 0.700822 0.558288 0.168687 0.099 Uiso 1 1 calc R . . . .
C03K C 0.6876(10) 0.6051(11) 0.1047(6) 0.061(7) Uani 1 1 d G U . . .
H03K H 0.735122 0.638030 0.104426 0.074 Uiso 1 1 calc R . . . .
C03M C 0.6385(11) 0.6044(10) 0.0668(5) 0.054(6) Uani 1 1 d G U . . .
H03M H 0.652470 0.636776 0.040729 0.065 Uiso 1 1 calc R . . . .
C011 C 0.5691(10) 0.5563(10) 0.0672(4) 0.047(6) Uani 1 1 d G U . . .
H011 H 0.535519 0.555781 0.041294 0.057 Uiso 1 1 calc R . . . .
C00X C 0.5487(9) 0.5089(8) 0.1053(5) 0.030(4) Uani 1 1 d G U . . .
C00W C 0.3435(10) 0.5771(9) 0.1087(4) 0.036(5) Uani 1 1 d . U . . .
C014 C 0.3728(9) 0.5147(8) 0.0832(5) 0.035(5) Uani 1 1 d G U . . .
C01U C 0.3382(11) 0.5055(9) 0.0417(5) 0.051(6) Uani 1 1 d G U . . .
H01U H 0.358255 0.462814 0.024311 0.061 Uiso 1 1 calc R . . . .
C03J C 0.2742(12) 0.5586(12) 0.0258(5) 0.068(8) Uani 1 1 d G U . . .
H03J H 0.250511 0.552324 -0.002583 0.081 Uiso 1 1 calc R . . . .
C034 C 0.2448(11) 0.6210(11) 0.0512(6) 0.080(10) Uani 1 1 d G U . . .
H034 H 0.201088 0.657370 0.040325 0.096 Uiso 1 1 calc R . . . .
C018 C 0.2795(11) 0.6303(9) 0.0927(6) 0.059(7) Uani 1 1 d G U . . .
H018 H 0.259409 0.672906 0.110127 0.071 Uiso 1 1 calc R . . . .
C010 C 0.0682(10) 0.0978(6) 0.2753(6) 0.048(6) Uani 1 1 d . U . . .
C037 C 0.0068(10) 0.0759(8) 0.3070(5) 0.054(7) Uani 1 1 d G U . . .
H037 H -0.025708 0.116096 0.321498 0.065 Uiso 1 1 calc R . . . .
C032 C -0.0069(9) -0.0047(10) 0.3176(5) 0.044(6) Uani 1 1 d G U . . .
H032 H -0.048821 -0.019706 0.339269 0.053 Uiso 1 1 calc R . . . .
C04B C 0.0407(11) -0.0635(7) 0.2964(6) 0.057(7) Uani 1 1 d G U . . .
H04B H 0.031361 -0.118663 0.303591 0.069 Uiso 1 1 calc R . . . .
C025 C 0.1021(10) -0.0416(8) 0.2646(5) 0.055(7) Uani 1 1 d G U . . .
H025 H 0.134658 -0.081819 0.250141 0.067 Uiso 1 1 calc R . . . .
C02E C 0.1158(9) 0.0390(9) 0.2541(5) 0.043(5) Uani 1 1 d G U . . .
C01B C 0.2864(9) 0.6610(10) 0.2500(6) 0.051(6) Uani 1 1 d . U . . .
C01A C 0.2597(10) 0.7237(10) 0.2202(5) 0.047(6) Uani 1 1 d G U . . .
H01A H 0.297164 0.743550 0.197311 0.056 Uiso 1 1 calc R . . . .
C80 C 0.1783(11) 0.7575(10) 0.2239(6) 0.056(7) Uani 1 1 d G U . . .
H80 H 0.160033 0.800432 0.203532 0.067 Uiso 1 1 calc R . . . .
C03G C 0.1235(9) 0.7286(12) 0.2573(7) 0.063(7) Uani 1 1 d G U . . .
H03G H 0.067812 0.751655 0.259868 0.076 Uiso 1 1 calc R . . . .
C035 C 0.1502(12) 0.6658(12) 0.2871(6) 0.073(9) Uani 1 1 d G U . . .
H035 H 0.112721 0.645995 0.309982 0.088 Uiso 1 1 calc R . . . .
C01Z C 0.2316(12) 0.6320(10) 0.2834(6) 0.067(8) Uani 1 1 d G U . . .
H01Z H 0.249852 0.589113 0.303762 0.080 Uiso 1 1 calc R . . . .
C01E C 0.4783(12) 0.3730(9) 0.0658(5) 0.049(6) Uani 1 1 d . U . . .
C01I C 0.4171(9) 0.3178(11) 0.0595(6) 0.056(7) Uani 1 1 d G U . . .
H01I H 0.364310 0.321589 0.074974 0.068 Uiso 1 1 calc R . . . .
C046 C 0.4333(11) 0.2570(10) 0.0305(7) 0.070(8) Uani 1 1 d G U . . .
H046 H 0.391485 0.219285 0.026211 0.084 Uiso 1 1 calc R . . . .
C028 C 0.5106(13) 0.2514(9) 0.0078(6) 0.059(7) Uani 1 1 d G U . . .
H028 H 0.521611 0.209916 -0.011968 0.071 Uiso 1 1 calc R . . . .
C022 C 0.5717(10) 0.3067(11) 0.0141(6) 0.064(8) Uani 1 1 d G U . . .
H022 H 0.624564 0.302850 -0.001384 0.077 Uiso 1 1 calc R . . . .
C01W C 0.5556(10) 0.3674(10) 0.0431(6) 0.054(7) Uani 1 1 d G U . . .
H01W H 0.597390 0.405154 0.047379 0.065 Uiso 1 1 calc R . . . .
C01F C 0.5527(10) 0.0692(8) 0.3766(5) 0.047(6) Uani 1 1 d . U . . .
C01R C 0.4754(10) 0.0387(9) 0.3668(4) 0.038(5) Uani 1 1 d G U . . .
H01R H 0.446146 0.058699 0.340815 0.046 Uiso 1 1 calc R . . . .
C01G C 0.4410(8) -0.0211(9) 0.3950(5) 0.046(6) Uani 1 1 d G U . . .
H01G H 0.388205 -0.041991 0.388325 0.056 Uiso 1 1 calc R . . . .
C015 C 0.4839(11) -0.0504(10) 0.4330(5) 0.054(6) Uani 1 1 d G U . . .
H015 H 0.460343 -0.091295 0.452333 0.064 Uiso 1 1 calc R . . . .
C03D C 0.5611(11) -0.0199(11) 0.4428(5) 0.067(8) Uani 1 1 d G U . . .
H03D H 0.590422 -0.039909 0.468831 0.080 Uiso 1 1 calc R . . . .
C02D C 0.5956(9) 0.0399(10) 0.4146(6) 0.051(6) Uani 1 1 d G U . . .
H02D H 0.648364 0.060782 0.421322 0.061 Uiso 1 1 calc R . . . .
C01L C 0.2611(10) 0.0164(6) 0.3314(5) 0.045(6) Uani 1 1 d . U . . .
H01L H 0.266888 0.072837 0.328852 0.054 Uiso 1 1 calc R . . . .
C00Y C 0.2155(10) -0.0185(8) 0.3671(4) 0.045(6) Uani 1 1 d G U . . .
H00Y H 0.190086 0.014079 0.388930 0.054 Uiso 1 1 calc R . . . .
C02U C 0.2071(10) -0.1012(9) 0.3709(4) 0.043(5) Uani 1 1 d G U . . .
H02U H 0.175906 -0.125030 0.395281 0.052 Uiso 1 1 calc R . . . .
C03I C 0.2443(10) -0.1489(6) 0.3390(5) 0.061(7) Uani 1 1 d G U . . .
H03I H 0.238527 -0.205381 0.341555 0.073 Uiso 1 1 calc R . . . .
C01J C 0.2899(9) -0.1140(8) 0.3033(5) 0.035(5) Uani 1 1 d G U . . .
H01J H 0.315329 -0.146625 0.281477 0.042 Uiso 1 1 calc R . . . .
C01K C 0.2983(9) -0.0314(8) 0.2995(4) 0.043(5) Uani 1 1 d G U . . .
C01N C 0.2092(14) 0.3104(10) 0.4243(5) 0.057(7) Uani 1 1 d D U . . .
H01N H 0.224152 0.331812 0.395223 0.068 Uiso 1 1 calc R . . . .
C01Q C 0.5339(10) 0.6123(9) 0.2981(5) 0.053(6) Uani 1 1 d . U . . .
H01Q H 0.554913 0.570759 0.280205 0.064 Uiso 1 1 calc R . . . .
C023 C 0.5847(8) 0.6406(10) 0.3304(6) 0.050(6) Uani 1 1 d G U . . .
H023 H 0.640406 0.618266 0.334583 0.059 Uiso 1 1 calc R . . . .
C036 C 0.5539(11) 0.7014(10) 0.3566(5) 0.060(7) Uani 1 1 d G U . . .
H036 H 0.588632 0.720697 0.378726 0.072 Uiso 1 1 calc R . . . .
C039 C 0.4724(11) 0.7340(9) 0.3506(5) 0.059(7) Uani 1 1 d G U . . .
H039 H 0.451362 0.775621 0.368492 0.070 Uiso 1 1 calc R . . . .
C00Z C 0.4216(8) 0.7058(10) 0.3183(6) 0.056(7) Uani 1 1 d G U . . .
H00Z H 0.365868 0.728115 0.314114 0.068 Uiso 1 1 calc R . . . .
C01H C 0.4524(10) 0.6450(10) 0.2920(5) 0.041(5) Uani 1 1 d G U . . .
C01T C 0.4026(9) 0.5130(7) 0.4133(5) 0.038(5) Uani 1 1 d . U . . .
C012 C 0.4393(7) 0.5775(8) 0.4312(5) 0.036(5) Uani 1 1 d G U . . .
H012 H 0.498356 0.575601 0.436544 0.043 Uiso 1 1 calc R . . . .
C01V C 0.3897(10) 0.6449(7) 0.4413(5) 0.038(5) Uani 1 1 d G U . . .
H01V H 0.414846 0.689083 0.453477 0.046 Uiso 1 1 calc R . . . .
C02O C 0.3034(9) 0.6478(8) 0.4335(5) 0.061(7) Uani 1 1 d G U . . .
H02O H 0.269485 0.693843 0.440339 0.073 Uiso 1 1 calc R . . . .
C03C C 0.2666(7) 0.5832(10) 0.4156(6) 0.055(7) Uani 1 1 d G U . . .
H03C H 0.207631 0.585122 0.410267 0.067 Uiso 1 1 calc R . . . .
C01Y C 0.3163(10) 0.5158(8) 0.4055(5) 0.053(6) Uani 1 1 d G U . . .
H01Y H 0.291139 0.471640 0.393333 0.063 Uiso 1 1 calc R . . . .
C01X C 0.3014(10) -0.0185(10) 0.2049(5) 0.042(5) Uani 1 1 d . U . . .
C03V C 0.3380(9) -0.0738(10) 0.1768(6) 0.064(8) Uani 1 1 d G U . . .
H03V H 0.394462 -0.093822 0.181463 0.077 Uiso 1 1 calc R . . . .
C04F C 0.2920(12) -0.0999(11) 0.1419(6) 0.067(8) Uani 1 1 d G U . . .
H04F H 0.317066 -0.137721 0.122755 0.081 Uiso 1 1 calc R . . . .
C04R C 0.2095(12) -0.0706(11) 0.1351(5) 0.065(8) Uani 1 1 d G U . . .
H04R H 0.178050 -0.088447 0.111303 0.078 Uiso 1 1 calc R . . . .
C02Q C 0.1729(8) -0.0153(11) 0.1632(6) 0.055(7) Uani 1 1 d G U . . .
H02Q H 0.116431 0.004727 0.158558 0.066 Uiso 1 1 calc R . . . .
C021 C 0.2188(10) 0.0108(9) 0.1981(5) 0.044(6) Uani 1 1 d G U . . .
C020 C 0.6580(9) 0.2008(9) 0.3809(4) 0.039(5) Uani 1 1 d . U . . .
C01S C 0.6142(7) 0.2402(10) 0.4143(5) 0.041(5) Uani 1 1 d G U . . .
C038 C 0.6580(9) 0.2705(10) 0.4487(4) 0.049(6) Uani 1 1 d G U . . .
H038 H 0.628097 0.297420 0.471501 0.058 Uiso 1 1 calc R . . . .
C54 C 0.7457(9) 0.2614(10) 0.4497(5) 0.055(7) Uani 1 1 d G U . . .
H54 H 0.775644 0.282079 0.473238 0.066 Uiso 1 1 calc R . . . .
C04A C 0.7895(7) 0.2220(11) 0.4163(6) 0.052(6) Uani 1 1 d G U . . .
H04A H 0.849357 0.215765 0.417027 0.063 Uiso 1 1 calc R . . . .
C03H C 0.7456(9) 0.1917(10) 0.3819(5) 0.056(7) Uani 1 1 d G U . . .
H03H H 0.775524 0.164793 0.359079 0.068 Uiso 1 1 calc R . . . .
C026 C 0.4432(10) 0.3517(7) 0.4447(4) 0.045(6) Uani 1 1 d . U . . .
C02G C 0.3942(10) 0.3741(7) 0.4812(5) 0.041(5) Uani 1 1 d G U . . .
H02G H 0.369392 0.426859 0.481509 0.050 Uiso 1 1 calc R . . . .
C02A C 0.3815(9) 0.3192(9) 0.5173(4) 0.046(6) Uani 1 1 d G U . . .
H02A H 0.348049 0.334527 0.542277 0.055 Uiso 1 1 calc R . . . .
C027 C 0.4178(10) 0.2420(8) 0.5169(4) 0.046(6) Uani 1 1 d G U . . .
H027 H 0.409136 0.204498 0.541569 0.055 Uiso 1 1 calc R . . . .
C02V C 0.4668(10) 0.2196(6) 0.4804(4) 0.037(5) Uani 1 1 d G U . . .
H02V H 0.491566 0.166800 0.480095 0.045 Uiso 1 1 calc R . . . .
C01D C 0.4794(9) 0.2744(8) 0.4443(4) 0.033(5) Uani 1 1 d G U . . .
C02I C 0.6749(9) 0.1078(9) 0.3057(5) 0.038(5) Uani 1 1 d . U . . .
C045 C 0.7151(12) 0.0332(9) 0.3152(6) 0.053(6) Uani 1 1 d G U . . .
H045 H 0.697451 0.000415 0.340426 0.064 Uiso 1 1 calc R . . . .
C59 C 0.7811(12) 0.0067(9) 0.2878(7) 0.101(13) Uani 1 1 d G U . . .
H59 H 0.808525 -0.044291 0.294345 0.122 Uiso 1 1 calc R . . . .
C03B C 0.8069(11) 0.0547(12) 0.2509(6) 0.060(7) Uani 1 1 d G U . . .
H03B H 0.851947 0.036584 0.232222 0.072 Uiso 1 1 calc R . . . .
C105 C 0.7667(12) 0.1293(12) 0.2414(5) 0.077(9) Uani 1 1 d G U . . .
H105 H 0.784293 0.162167 0.216179 0.093 Uiso 1 1 calc R . . . .
C03P C 0.7007(11) 0.1559(9) 0.2688(6) 0.060(7) Uani 1 1 d G U . . .
H03P H 0.673218 0.206875 0.262259 0.072 Uiso 1 1 calc R . . . .
C02J C 0.0381(9) 0.2743(11) 0.3332(6) 0.058(7) Uani 1 1 d . U . . .
H02J H 0.092927 0.255943 0.342570 0.070 Uiso 1 1 calc R . . . .
C048 C 0.0097(11) 0.2561(10) 0.2916(5) 0.043(5) Uani 1 1 d G U . . .
C04S C -0.0705(12) 0.2830(12) 0.2779(5) 0.063(8) Uani 1 1 d G U . . .
H04S H -0.089943 0.270608 0.249487 0.076 Uiso 1 1 calc R . . . .
C159 C -0.1223(10) 0.3282(13) 0.3057(7) 0.080(10) Uani 1 1 d G U . . .
H159 H -0.177077 0.346545 0.296277 0.096 Uiso 1 1 calc R . . . .
C04M C -0.0938(12) 0.3464(12) 0.3472(6) 0.072(9) Uani 1 1 d G U . . .
H04M H -0.129210 0.377182 0.366213 0.086 Uiso 1 1 calc R . . . .
C03T C -0.0136(13) 0.3194(12) 0.3610(5) 0.060(7) Uani 1 1 d G U . . .
H03T H 0.005792 0.331882 0.389360 0.072 Uiso 1 1 calc R . . . .
C02K C 0.4912(10) -0.0914(9) 0.2784(5) 0.044(6) Uani 1 1 d . U . . .
H02K H 0.454657 -0.113532 0.301019 0.053 Uiso 1 1 calc R . . . .
C040 C 0.5749(10) -0.1197(9) 0.2754(5) 0.061(7) Uani 1 1 d G U . . .
H040 H 0.595521 -0.161213 0.296015 0.073 Uiso 1 1 calc R . . . .
C02S C 0.6284(8) -0.0872(10) 0.2424(6) 0.057(7) Uani 1 1 d G U . . .
H02S H 0.685605 -0.106608 0.240324 0.069 Uiso 1 1 calc R . . . .
C029 C 0.5983(10) -0.0265(10) 0.2122(5) 0.051(6) Uani 1 1 d G U . . .
H029 H 0.634825 -0.004322 0.189638 0.061 Uiso 1 1 calc R . . . .
C017 C 0.5146(10) 0.0018(8) 0.2152(5) 0.050(6) Uani 1 1 d G U . . .
H017 H 0.493961 0.043360 0.194641 0.060 Uiso 1 1 calc R . . . .
C02B C 0.4611(8) -0.0306(9) 0.2483(5) 0.037(5) Uani 1 1 d G U . . .
C02L C 0.1804(15) 0.2583(10) 0.5117(5) 0.063(8) Uani 1 1 d D U . . .
H02L H 0.170689 0.241266 0.542157 0.075 Uiso 1 1 calc R . . . .
N02W N 0.7819(16) 0.3375(13) 0.0990(7) 0.109(12) Uani 1 1 d D U . . .
C02Z C 0.2361(8) 0.2331(8) 0.4390(5) 0.058(7) Uani 1 1 d D U . . .
C03S C 0.7472(17) 0.3494(14) 0.1393(7) 0.093(12) Uani 1 1 d D U . . .
H03S H 0.765232 0.391907 0.155934 0.111 Uiso 1 1 calc R . . . .
C03W C 0.6853(17) 0.3000(15) 0.1567(7) 0.075(9) Uani 1 1 d D U . . .
H03W H 0.657645 0.310487 0.184270 0.090 Uiso 1 1 calc R . . . .
C03X C 0.7091(9) 0.4628(10) 0.3655(4) 0.046(6) Uani 1 1 d . U . . .
H03X H 0.743871 0.463059 0.339299 0.055 Uiso 1 1 calc R . . . .
C02T C 0.6238(9) 0.4474(10) 0.3631(4) 0.047(6) Uani 1 1 d G U . . .
H02T H 0.600253 0.437163 0.335320 0.057 Uiso 1 1 calc R . . . .
C03A C 0.5730(7) 0.4471(9) 0.4015(5) 0.044(6) Uani 1 1 d G U . . .
C02P C 0.6074(8) 0.4622(9) 0.4422(4) 0.033(5) Uani 1 1 d G U . . .
H02P H 0.572691 0.461928 0.468432 0.040 Uiso 1 1 calc R . . . .
C030 C 0.6928(9) 0.4775(9) 0.4446(4) 0.042(5) Uani 1 1 d G U . . .
H030 H 0.716309 0.487824 0.472412 0.050 Uiso 1 1 calc R . . . .
C031 C 0.7436(7) 0.4779(10) 0.4062(5) 0.047(6) Uani 1 1 d G U . . .
H031 H 0.801900 0.488390 0.407846 0.057 Uiso 1 1 calc R . . . .
C044 C 0.0414(14) 0.2860(10) 0.1770(7) 0.083(10) Uani 1 1 d . U . . .
H044 H 0.067950 0.328431 0.190050 0.099 Uiso 1 1 calc R . . . .
C04D C 0.0366(12) 0.2115(11) 0.2003(5) 0.044(6) Uani 1 1 d G U . . .
C02N C -0.0023(12) 0.1494(9) 0.1812(6) 0.059(7) Uani 1 1 d G U . . .
H02N H -0.005479 0.098536 0.197089 0.071 Uiso 1 1 calc R . . . .
C152 C -0.0364(14) 0.1616(13) 0.1389(7) 0.086(11) Uani 1 1 d G U . . .
H152 H -0.063034 0.119159 0.125845 0.104 Uiso 1 1 calc R . . . .
C69 C -0.0317(15) 0.2360(15) 0.1156(6) 0.092(11) Uani 1 1 d G U . . .
H69 H -0.055098 0.244417 0.086702 0.111 Uiso 1 1 calc R . . . .
C98 C 0.0072(16) 0.2982(11) 0.1347(7) 0.092(11) Uani 1 1 d G U . . .
H98 H 0.010394 0.349053 0.118804 0.111 Uiso 1 1 calc R . . . .
C04E C 0.6639(10) 0.2350(11) 0.1336(7) 0.067(8) Uani 1 1 d D U . . .
C04I C 0.2217(14) 0.2064(9) 0.4833(5) 0.069(8) Uani 1 1 d D U . . .
H04I H 0.239795 0.153726 0.493813 0.083 Uiso 1 1 calc R . . . .
C04P C 0.1599(18) 0.3557(11) 0.4531(5) 0.091(11) Uani 1 1 d D U . . .
H04P H 0.130240 0.403221 0.441957 0.109 Uiso 1 1 calc R . . . .
C04Q C 0.0566(10) 0.4931(10) 0.3192(6) 0.129(8) Uani 1 1 d D U . . .
C118 C 0.1681(19) 0.3769(16) 0.0594(9) 0.092(4) Uani 1 1 d D U . . .
H118 H 0.196506 0.330349 0.048805 0.110 Uiso 1 1 calc R . . . .
N130 N 0.1168(18) 0.4228(17) 0.0323(7) 0.095(4) Uani 1 1 d D U . . .
C03E C 0.0740(19) 0.4879(17) 0.0464(8) 0.094(4) Uani 1 1 d D U . . .
H03E H 0.033507 0.516040 0.027626 0.112 Uiso 1 1 calc R . . . .
C175 C 0.0890(17) 0.5142(15) 0.0885(9) 0.091(4) Uani 1 1 d D U . . .
H175 H 0.064656 0.563861 0.097301 0.109 Uiso 1 1 calc R . . . .
C02Y C 0.1398(12) 0.4667(15) 0.1172(6) 0.089(4) Uani 1 1 d D U . . .
C197 C 0.1794(19) 0.3974(17) 0.1027(8) 0.091(4) Uani 1 1 d D U . . .
H197 H 0.214190 0.364220 0.122310 0.109 Uiso 1 1 calc R . . . .
C61 C 0.0451(13) 0.4765(17) 0.2749(7) 0.130(8) Uani 1 1 d D U . . .
H61 H 0.088343 0.448781 0.258834 0.156 Uiso 1 1 calc R . . . .
C133 C -0.0059(13) 0.5364(15) 0.3417(6) 0.129(8) Uani 1 1 d D U . . .
H133 H 0.001597 0.549277 0.371718 0.154 Uiso 1 1 calc R . . . .
C182 C -0.0796(12) 0.5606(17) 0.3193(7) 0.130(8) Uani 1 1 d D U . . .
H182 H -0.122258 0.591588 0.333925 0.156 Uiso 1 1 calc R . . . .
N186 N -0.0912(12) 0.5406(17) 0.2774(7) 0.131(8) Uani 1 1 d D U . . .
C190 C 0.7038(18) 0.2217(14) 0.0930(8) 0.107(14) Uani 1 1 d D U . . .
H190 H 0.689796 0.177389 0.076672 0.129 Uiso 1 1 calc R . . . .
C123 C -0.0307(13) 0.5010(19) 0.2547(6) 0.130(8) Uani 1 1 d D U . . .
H123 H -0.039586 0.489583 0.224593 0.156 Uiso 1 1 calc R . . . .
N144 N 0.1541(15) 0.3322(9) 0.4966(5) 0.071(7) Uani 1 1 d D U . . .
C90 C 0.4057(11) 0.1086(17) 0.1145(9) 0.104(4) Uani 1 1 d D U . . .
H90 H 0.421296 0.140706 0.137749 0.125 Uiso 1 1 calc R . . . .
N95 N 0.4410(16) 0.0063(16) 0.0658(9) 0.107(4) Uani 1 1 d D U . . .
C124 C 0.4645(12) 0.0558(18) 0.0964(10) 0.107(4) Uani 1 1 d D U . . .
H124 H 0.521596 0.054442 0.105613 0.128 Uiso 1 1 calc R . . . .
C167 C 0.3603(16) 0.0076(15) 0.0520(9) 0.108(4) Uani 1 1 d D U . . .
H167 H 0.344161 -0.030255 0.031793 0.129 Uiso 1 1 calc R . . . .
C174 C 0.3243(10) 0.1147(9) 0.0987(5) 0.105(4) Uani 1 1 d D U . . .
C0AA C 0.3006(14) 0.0637(14) 0.0670(8) 0.106(4) Uani 1 1 d D U . . .
H0AA H 0.244794 0.066938 0.055694 0.127 Uiso 1 1 calc R . . . .
C194 C 0.7642(18) 0.2738(14) 0.0765(7) 0.106(14) Uani 1 1 d D U . . .
H194 H 0.793106 0.264326 0.049147 0.127 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 2.7240(12) . ?
Au01 Au03 2.7297(13) . ?
Au01 Au04 2.7249(12) . ?
Au01 Au05 2.7173(12) . ?
Au01 Au06 2.7247(12) . ?
Au01 Au07 2.7308(14) . ?
Au01 Ag08 2.7787(16) . ?
Au01 Ag09 2.7933(16) . ?
Au01 Ag0A 2.7971(16) . ?
Au01 Ag0B 2.7662(17) . ?
Au01 Ag0C 2.7972(19) . ?
Au01 Ag0D 2.7830(17) . ?
Au02 Au05 2.9016(12) . ?
Au02 Au06 2.8898(13) . ?
Au02 Ag09 2.8873(18) . ?
Au02 Ag0B 2.9200(19) . ?
Au02 Ag0C 2.9357(19) . ?
Au02 P00I 2.310(5) . ?
Au03 Au06 2.8500(13) . ?
Au03 Ag08 2.8628(19) . ?
Au03 Ag0A 2.8687(18) . ?
Au03 Ag0C 2.9502(18) . ?
Au03 Ag0D 2.8380(16) . ?
Au03 P00G 2.282(5) . ?
Au04 Au05 2.8752(14) . ?
Au04 Au07 2.8556(14) . ?
Au04 Ag09 2.9488(17) . ?
Au04 Ag0A 2.8790(16) . ?
Au04 Ag0D 2.9021(19) . ?
Au04 P00F 2.286(5) . ?
Au05 Ag09 2.9155(18) . ?
Au05 Ag0C 2.8810(18) . ?
Au05 Ag0D 2.9037(17) . ?
Au05 P00H 2.292(6) . ?
Au06 Ag08 2.8909(18) . ?
Au06 Ag0B 2.9563(19) . ?
Au06 Ag0C 2.8742(18) . ?
Au06 P00E 2.289(5) . ?
Au07 Ag08 2.9272(17) . ?
Au07 Ag09 2.9064(18) . ?
Au07 Ag0A 2.8580(19) . ?
Au07 Ag0B 2.8672(17) . ?
Au07 P00K 2.289(6) . ?
Ag08 Ag0A 2.892(2) . ?
Ag08 Ag0B 2.866(2) . ?
Ag08 S00O 2.386(8) . ?
Ag09 Ag0B 2.9570(19) . ?
Ag09 S00J 2.398(6) . ?
Ag0A Ag0D 2.971(2) . ?
Ag0A S1 2.391(8) . ?
Ag0B S00L 2.360(6) . ?
Ag0C Ag0D 2.903(2) . ?
Ag0C Cl00 2.380(7) . ?
Ag0D S00N 2.381(7) . ?
P00E C00S 1.873(12) . ?
P00E C01B 1.814(14) . ?
P00E C01H 1.810(12) . ?
P00F C01K 1.804(12) . ?
P00F C01X 1.837(13) . ?
P00F C02B 1.819(13) . ?
P00G C00X 1.807(14) . ?
P00G C014 1.847(13) . ?
P00G C01E 1.821(14) . ?
P00H C01F 1.842(13) . ?
P00H C020 1.823(12) . ?
P00H C02I 1.787(14) . ?
P00I C01T 1.820(11) . ?
P00I C026 1.827(11) . ?
P00I C03A 1.790(13) . ?
S00J C02Z 1.720(14) . ?
P00K C010 1.870(12) . ?
P00K C048 1.802(15) . ?
P00K C04D 1.816(15) . ?
S00L C04Q 1.665(17) . ?
S00N C04E 1.694(19) . ?
S00O C02Y 1.60(2) . ?
S1 C174 1.774(12) . ?
O00Q C00U 1.42(2) . ?
O00Q C00W 1.34(2) . ?
O00R C02E 1.39(2) . ?
O00R C021 1.37(2) . ?
C00S C00U 1.3900 . ?
C00S C019 1.3900 . ?
C00U C013 1.3900 . ?
C013 C016 1.3900 . ?
C016 C01C 1.3900 . ?
C01C C019 1.3900 . ?
O00T C01S 1.38(2) . ?
O00T C01D 1.353(19) . ?
C00V C02M 1.3900 . ?
C00V C00X 1.3900 . ?
C02M C03K 1.3900 . ?
C03K C03M 1.3900 . ?
C03M C011 1.3900 . ?
C011 C00X 1.3900 . ?
C00W C014 1.3900 . ?
C00W C018 1.3900 . ?
C014 C01U 1.3900 . ?
C01U C03J 1.3900 . ?
C03J C034 1.3900 . ?
C034 C018 1.3900 . ?
C010 C037 1.3900 . ?
C010 C02E 1.3900 . ?
C037 C032 1.3900 . ?
C032 C04B 1.3900 . ?
C04B C025 1.3900 . ?
C025 C02E 1.3900 . ?
C01B C01A 1.3900 . ?
C01B C01Z 1.3900 . ?
C01A C80 1.3900 . ?
C80 C03G 1.3900 . ?
C03G C035 1.3900 . ?
C035 C01Z 1.3900 . ?
C01E C01I 1.3900 . ?
C01E C01W 1.3900 . ?
C01I C046 1.3900 . ?
C046 C028 1.3900 . ?
C028 C022 1.3900 . ?
C022 C01W 1.3900 . ?
C01F C01R 1.3900 . ?
C01F C02D 1.3900 . ?
C01R C01G 1.3900 . ?
C01G C015 1.3900 . ?
C015 C03D 1.3900 . ?
C03D C02D 1.3900 . ?
C01L C00Y 1.3900 . ?
C01L C01K 1.3900 . ?
C00Y C02U 1.3900 . ?
C02U C03I 1.3900 . ?
C03I C01J 1.3900 . ?
C01J C01K 1.3900 . ?
C01N C02Z 1.3895(11) . ?
C01N C04P 1.3897(11) . ?
C01Q C023 1.3900 . ?
C01Q C01H 1.3900 . ?
C023 C036 1.3900 . ?
C036 C039 1.3900 . ?
C039 C00Z 1.3900 . ?
C00Z C01H 1.3900 . ?
C01T C012 1.3900 . ?
C01T C01Y 1.3900 . ?
C012 C01V 1.3900 . ?
C01V C02O 1.3900 . ?
C02O C03C 1.3900 . ?
C03C C01Y 1.3900 . ?
C01X C03V 1.3900 . ?
C01X C021 1.3900 . ?
C03V C04F 1.3900 . ?
C04F C04R 1.3900 . ?
C04R C02Q 1.3900 . ?
C02Q C021 1.3900 . ?
C020 C01S 1.3900 . ?
C020 C03H 1.3900 . ?
C01S C038 1.3900 . ?
C038 C54 1.3900 . ?
C54 C04A 1.3900 . ?
C04A C03H 1.3900 . ?
C026 C02G 1.3900 . ?
C026 C01D 1.3900 . ?
C02G C02A 1.3900 . ?
C02A C027 1.3900 . ?
C027 C02V 1.3900 . ?
C02V C01D 1.3900 . ?
C02I C045 1.3900 . ?
C02I C03P 1.3900 . ?
C045 C59 1.3900 . ?
C59 C03B 1.3900 . ?
C03B C105 1.3900 . ?
C105 C03P 1.3900 . ?
C02J C048 1.3900 . ?
C02J C03T 1.3900 . ?
C048 C04S 1.3900 . ?
C04S C159 1.3900 . ?
C159 C04M 1.3900 . ?
C04M C03T 1.3900 . ?
C02K C040 1.3900 . ?
C02K C02B 1.3900 . ?
C040 C02S 1.3900 . ?
C02S C029 1.3900 . ?
C029 C017 1.3900 . ?
C017 C02B 1.3900 . ?
C02L C04I 1.3897(11) . ?
C02L N144 1.3400(11) . ?
N02W C03S 1.3400(11) . ?
N02W C194 1.3400(11) . ?
C02Z C04I 1.3895(11) . ?
C03S C03W 1.383(10) . ?
C03W C04E 1.384(9) . ?
C03X C02T 1.3900 . ?
C03X C031 1.3900 . ?
C02T C03A 1.3900 . ?
C03A C02P 1.3900 . ?
C02P C030 1.3900 . ?
C030 C031 1.3900 . ?
C044 C04D 1.3900 . ?
C044 C98 1.3900 . ?
C04D C02N 1.3900 . ?
C02N C152 1.3900 . ?
C152 C69 1.3900 . ?
C69 C98 1.3900 . ?
C04E C190 1.385(9) . ?
C04P N144 1.3401(11) . ?
C04Q C61 1.3895(11) . ?
C04Q C133 1.3895(11) . ?
C118 N130 1.341(10) . ?
C118 C197 1.381(10) . ?
N130 C03E 1.343(10) . ?
C03E C175 1.391(10) . ?
C175 C02Y 1.380(9) . ?
C02Y C197 1.382(9) . ?
C61 C123 1.3897(11) . ?
C133 C182 1.3897(11) . ?
C182 N186 1.3400(11) . ?
N186 C123 1.3400(11) . ?
C190 C194 1.383(10) . ?
C90 C124 1.381(10) . ?
C90 C174 1.378(9) . ?
N95 C124 1.343(10) . ?
N95 C167 1.350(10) . ?
C167 C0AA 1.390(10) . ?
C174 C0AA 1.388(9) . ?

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 Au03 118.08(4) . . ?
Au02 Au01 Au04 117.75(4) . . ?
Au02 Au01 Au06 64.06(3) . . ?
Au02 Au01 Au07 116.22(4) . . ?
Au02 Au01 Ag08 116.01(4) . . ?
Au02 Au01 Ag09 63.10(4) . . ?
Au02 Au01 Ag0A 178.12(5) . . ?
Au02 Au01 Ag0B 64.26(4) . . ?
Au02 Au01 Ag0C 64.23(4) . . ?
Au02 Au01 Ag0D 117.56(5) . . ?
Au03 Au01 Au07 115.56(4) . . ?
Au03 Au01 Ag08 62.62(4) . . ?
Au03 Au01 Ag09 178.82(5) . . ?
Au03 Au01 Ag0A 62.52(4) . . ?
Au03 Au01 Ag0B 116.07(4) . . ?
Au03 Au01 Ag0C 64.51(4) . . ?
Au03 Au01 Ag0D 61.96(4) . . ?
Au04 Au01 Au03 114.45(4) . . ?
Au04 Au01 Au07 63.12(4) . . ?
Au04 Au01 Ag08 116.31(5) . . ?
Au04 Au01 Ag09 64.59(4) . . ?
Au04 Au01 Ag0A 62.83(4) . . ?
Au04 Au01 Ag0B 117.18(5) . . ?
Au04 Au01 Ag0C 116.01(5) . . ?
Au04 Au01 Ag0D 63.58(4) . . ?
Au05 Au01 Au02 64.45(3) . . ?
Au05 Au01 Au03 116.48(5) . . ?
Au05 Au01 Au04 63.78(3) . . ?
Au05 Au01 Au06 116.50(4) . . ?
Au05 Au01 Au07 116.44(4) . . ?
Au05 Au01 Ag08 179.08(5) . . ?
Au05 Au01 Ag09 63.87(4) . . ?
Au05 Au01 Ag0A 117.07(4) . . ?
Au05 Au01 Ag0B 118.60(5) . . ?
Au05 Au01 Ag0C 62.97(4) . . ?
Au05 Au01 Ag0D 63.72(4) . . ?
Au06 Au01 Au03 63.00(3) . . ?
Au06 Au01 Au04 177.39(4) . . ?
Au06 Au01 Au07 118.14(4) . . ?
Au06 Au01 Ag08 63.37(4) . . ?
Au06 Au01 Ag09 117.97(4) . . ?
Au06 Au01 Ag0A 115.43(4) . . ?
Au06 Au01 Ag0B 65.14(4) . . ?
Au06 Au01 Ag0C 62.72(4) . . ?
Au06 Au01 Ag0D 114.04(5) . . ?
Au07 Au01 Ag08 64.18(4) . . ?
Au07 Au01 Ag09 63.48(4) . . ?
Au07 Au01 Ag0A 62.25(4) . . ?
Au07 Au01 Ag0B 62.87(4) . . ?
Au07 Au01 Ag0C 179.12(4) . . ?
Au07 Au01 Ag0D 116.51(5) . . ?
Ag08 Au01 Ag09 117.03(5) . . ?
Ag08 Au01 Ag0A 62.49(5) . . ?
Ag08 Au01 Ag0C 116.40(5) . . ?
Ag08 Au01 Ag0D 115.44(5) . . ?
Ag09 Au01 Ag0A 116.30(5) . . ?
Ag09 Au01 Ag0C 116.44(5) . . ?
Ag0A Au01 Ag0C 117.32(5) . . ?
Ag0B Au01 Ag08 62.24(5) . . ?
Ag0B Au01 Ag09 64.26(5) . . ?
Ag0B Au01 Ag0A 113.86(6) . . ?
Ag0B Au01 Ag0C 117.94(5) . . ?
Ag0B Au01 Ag0D 177.68(5) . . ?
Ag0D Au01 Ag09 117.68(5) . . ?
Ag0D Au01 Ag0A 64.33(5) . . ?
Ag0D Au01 Ag0C 62.69(5) . . ?
Au01 Au02 Au05 57.66(3) . . ?
Au01 Au02 Au06 57.98(3) . . ?
Au01 Au02 Ag09 59.62(4) . . ?
Au01 Au02 Ag0B 58.57(4) . . ?
Au01 Au02 Ag0C 59.10(4) . . ?
Au05 Au02 Ag0B 108.18(4) . . ?
Au05 Au02 Ag0C 59.15(4) . . ?
Au06 Au02 Au05 106.08(4) . . ?
Au06 Au02 Ag0B 61.17(4) . . ?
Au06 Au02 Ag0C 59.12(4) . . ?
Ag09 Au02 Au05 60.48(4) . . ?
Ag09 Au02 Au06 109.89(5) . . ?
Ag09 Au02 Ag0B 61.22(4) . . ?
Ag09 Au02 Ag0C 109.39(5) . . ?
Ag0B Au02 Ag0C 109.00(5) . . ?
P00I Au02 Au01 175.85(14) . . ?
P00I Au02 Au05 119.75(14) . . ?
P00I Au02 Au06 126.04(14) . . ?
P00I Au02 Ag09 116.46(15) . . ?
P00I Au02 Ag0B 121.52(16) . . ?
P00I Au02 Ag0C 123.12(17) . . ?
Au01 Au03 Au06 58.41(3) . . ?
Au01 Au03 Ag08 59.53(4) . . ?
Au01 Au03 Ag0A 59.89(4) . . ?
Au01 Au03 Ag0C 58.85(4) . . ?
Au01 Au03 Ag0D 59.94(4) . . ?
Au06 Au03 Ag08 60.80(4) . . ?
Au06 Au03 Ag0A 109.43(5) . . ?
Au06 Au03 Ag0C 59.38(4) . . ?
Ag08 Au03 Ag0A 60.62(5) . . ?
Ag08 Au03 Ag0C 109.21(5) . . ?
Ag0A Au03 Ag0C 110.38(5) . . ?
Ag0D Au03 Au06 108.64(4) . . ?
Ag0D Au03 Ag08 111.14(5) . . ?
Ag0D Au03 Ag0A 62.73(5) . . ?
Ag0D Au03 Ag0C 60.16(4) . . ?
P00G Au03 Au01 177.71(17) . . ?
P00G Au03 Au06 121.07(14) . . ?
P00G Au03 Ag08 118.19(17) . . ?
P00G Au03 Ag0A 119.17(16) . . ?
P00G Au03 Ag0C 123.09(17) . . ?
P00G Au03 Ag0D 121.80(16) . . ?
Au01 Au04 Au05 57.98(3) . . ?
Au01 Au04 Au07 58.54(3) . . ?
Au01 Au04 Ag09 58.83(4) . . ?
Au01 Au04 Ag0A 59.81(4) . . ?
Au01 Au04 Ag0D 59.18(4) . . ?
Au05 Au04 Ag09 60.06(4) . . ?
Au05 Au04 Ag0A 109.65(5) . . ?
Au05 Au04 Ag0D 60.34(4) . . ?
Au07 Au04 Au05 107.82(4) . . ?
Au07 Au04 Ag09 60.07(4) . . ?
Au07 Au04 Ag0A 59.78(4) . . ?
Au07 Au04 Ag0D 109.05(4) . . ?
Ag0A Au04 Ag09 109.13(5) . . ?
Ag0A Au04 Ag0D 61.84(5) . . ?
Ag0D Au04 Ag09 109.28(5) . . ?
P00F Au04 Au01 177.36(16) . . ?
P00F Au04 Au05 123.79(16) . . ?
P00F Au04 Au07 121.13(17) . . ?
P00F Au04 Ag09 123.56(16) . . ?
P00F Au04 Ag0A 117.62(15) . . ?
P00F Au04 Ag0D 119.49(17) . . ?
Au01 Au05 Au02 57.89(3) . . ?
Au01 Au05 Au04 58.24(3) . . ?
Au01 Au05 Ag09 59.33(4) . . ?
Au01 Au05 Ag0C 59.87(4) . . ?
Au01 Au05 Ag0D 59.24(4) . . ?
Au02 Au05 Ag09 59.52(4) . . ?
Au02 Au05 Ag0D 108.44(4) . . ?
Au04 Au05 Au02 107.69(4) . . ?
Au04 Au05 Ag09 61.22(4) . . ?
Au04 Au05 Ag0C 108.91(5) . . ?
Au04 Au05 Ag0D 60.29(4) . . ?
Ag0C Au05 Au02 61.02(4) . . ?
Ag0C Au05 Ag09 110.14(5) . . ?
Ag0C Au05 Ag0D 60.24(4) . . ?
Ag0D Au05 Ag09 110.17(5) . . ?
P00H Au05 Au01 179.43(15) . . ?
P00H Au05 Au02 122.61(13) . . ?
P00H Au05 Au04 121.19(14) . . ?
P00H Au05 Ag09 120.56(17) . . ?
P00H Au05 Ag0C 120.55(17) . . ?
P00H Au05 Ag0D 120.51(15) . . ?
Au01 Au06 Au02 57.96(3) . . ?
Au01 Au06 Au03 58.59(3) . . ?
Au01 Au06 Ag08 59.23(4) . . ?
Au01 Au06 Ag0B 58.11(4) . . ?
Au01 Au06 Ag0C 59.88(4) . . ?
Au02 Au06 Ag08 107.67(4) . . ?
Au02 Au06 Ag0B 59.92(4) . . ?
Au03 Au06 Au02 109.13(4) . . ?
Au03 Au06 Ag08 59.82(4) . . ?
Au03 Au06 Ag0B 106.83(4) . . ?
Au03 Au06 Ag0C 62.05(4) . . ?
Ag08 Au06 Ag0B 58.68(5) . . ?
Ag0C Au06 Au02 61.24(4) . . ?
Ag0C Au06 Ag08 110.57(5) . . ?
Ag0C Au06 Ag0B 109.69(5) . . ?
P00E Au06 Au01 178.13(17) . . ?
P00E Au06 Au02 122.84(15) . . ?
P00E Au06 Au03 121.64(15) . . ?
P00E Au06 Ag08 119.10(16) . . ?
P00E Au06 Ag0B 120.53(17) . . ?
P00E Au06 Ag0C 121.97(17) . . ?
Au01 Au07 Au04 58.34(3) . . ?
Au01 Au07 Ag08 58.70(4) . . ?
Au01 Au07 Ag09 59.31(4) . . ?
Au01 Au07 Ag0A 60.01(4) . . ?
Au01 Au07 Ag0B 59.17(4) . . ?
Au04 Au07 Ag08 107.88(5) . . ?
Au04 Au07 Ag09 61.55(4) . . ?
Au04 Au07 Ag0A 60.51(4) . . ?
Au04 Au07 Ag0B 109.95(5) . . ?
Ag09 Au07 Ag08 109.08(5) . . ?
Ag0A Au07 Ag08 59.98(5) . . ?
Ag0A Au07 Ag09 110.93(5) . . ?
Ag0A Au07 Ag0B 109.04(5) . . ?
Ag0B Au07 Ag08 59.27(4) . . ?
Ag0B Au07 Ag09 61.61(4) . . ?
P00K Au07 Au01 176.46(19) . . ?
P00K Au07 Au04 121.48(16) . . ?
P00K Au07 Ag08 119.21(16) . . ?
P00K Au07 Ag09 124.04(18) . . ?
P00K Au07 Ag0A 116.58(19) . . ?
P00K Au07 Ag0B 122.83(18) . . ?
Au01 Ag08 Au03 57.85(4) . . ?
Au01 Ag08 Au06 57.40(4) . . ?
Au01 Ag08 Au07 57.12(4) . . ?
Au01 Ag08 Ag0A 59.06(4) . . ?
Au01 Ag08 Ag0B 58.67(4) . . ?
Au03 Ag08 Au06 59.38(4) . . ?
Au03 Ag08 Au07 105.85(5) . . ?
Au03 Ag08 Ag0A 59.79(5) . . ?
Au03 Ag08 Ag0B 108.96(6) . . ?
Au06 Ag08 Au07 107.09(5) . . ?
Au06 Ag08 Ag0A 107.64(6) . . ?
Ag0A Ag08 Au07 58.82(4) . . ?
Ag0B Ag08 Au06 61.80(5) . . ?
Ag0B Ag08 Au07 59.32(4) . . ?
Ag0B Ag08 Ag0A 108.12(5) . . ?
S00O Ag08 Au01 174.2(3) . . ?
S00O Ag08 Au03 120.9(2) . . ?
S00O Ag08 Au06 116.8(3) . . ?
S00O Ag08 Au07 127.1(3) . . ?
S00O Ag08 Ag0A 126.0(3) . . ?
S00O Ag08 Ag0B 118.9(3) . . ?
Au01 Ag09 Au02 57.28(4) . . ?
Au01 Ag09 Au04 56.58(4) . . ?
Au01 Ag09 Au05 56.80(4) . . ?
Au01 Ag09 Au07 57.21(4) . . ?
Au01 Ag09 Ag0B 57.42(4) . . ?
Au02 Ag09 Au04 106.11(5) . . ?
Au02 Ag09 Au05 60.00(4) . . ?
Au02 Ag09 Au07 106.15(5) . . ?
Au02 Ag09 Ag0B 59.94(4) . . ?
Au04 Ag09 Ag0B 105.04(5) . . ?
Au05 Ag09 Au04 58.72(4) . . ?
Au05 Ag09 Ag0B 106.81(6) . . ?
Au07 Ag09 Au04 58.38(4) . . ?
Au07 Ag09 Au05 105.40(5) . . ?
Au07 Ag09 Ag0B 58.54(4) . . ?
S00J Ag09 Au01 173.78(19) . . ?
S00J Ag09 Au02 121.79(18) . . ?
S00J Ag09 Au04 120.30(16) . . ?
S00J Ag09 Au05 117.08(19) . . ?
S00J Ag09 Au07 126.9(2) . . ?
S00J Ag09 Ag0B 128.23(17) . . ?
Au01 Ag0A Au03 57.59(4) . . ?
Au01 Ag0A Au04 57.36(4) . . ?
Au01 Ag0A Au07 57.74(4) . . ?
Au01 Ag0A Ag08 58.44(4) . . ?
Au01 Ag0A Ag0D 57.61(4) . . ?
Au03 Ag0A Au04 105.86(5) . . ?
Au03 Ag0A Ag08 59.59(5) . . ?
Au03 Ag0A Ag0D 58.13(4) . . ?
Au04 Ag0A Ag08 108.20(5) . . ?
Au04 Ag0A Ag0D 59.46(5) . . ?
Au07 Ag0A Au03 107.55(5) . . ?
Au07 Ag0A Au04 59.70(4) . . ?
Au07 Ag0A Ag08 61.20(5) . . ?
Au07 Ag0A Ag0D 107.11(5) . . ?
Ag08 Ag0A Ag0D 106.64(6) . . ?
S1 Ag0A Au01 170.1(3) . . ?
S1 Ag0A Au03 131.8(3) . . ?
S1 Ag0A Au04 116.6(3) . . ?
S1 Ag0A Au07 112.8(3) . . ?
S1 Ag0A Ag08 121.3(3) . . ?
S1 Ag0A Ag0D 127.9(3) . . ?
Au01 Ag0B Au02 57.17(4) . . ?
Au01 Ag0B Au06 56.75(4) . . ?
Au01 Ag0B Au07 57.96(4) . . ?
Au01 Ag0B Ag08 59.09(4) . . ?
Au01 Ag0B Ag09 58.31(4) . . ?
Au02 Ag0B Au06 58.91(4) . . ?
Au02 Ag0B Ag09 58.85(4) . . ?
Au06 Ag0B Ag09 106.21(6) . . ?
Au07 Ag0B Au02 106.32(5) . . ?
Au07 Ag0B Au06 106.94(5) . . ?
Au07 Ag0B Ag09 59.85(4) . . ?
Ag08 Ag0B Au02 107.53(6) . . ?
Ag08 Ag0B Au06 59.52(5) . . ?
Ag08 Ag0B Au07 61.41(5) . . ?
Ag08 Ag0B Ag09 109.37(6) . . ?
S00L Ag0B Au01 176.53(19) . . ?
S00L Ag0B Au02 120.39(19) . . ?
S00L Ag0B Au06 124.82(18) . . ?
S00L Ag0B Au07 122.39(19) . . ?
S00L Ag0B Ag08 124.32(19) . . ?
S00L Ag0B Ag09 118.53(18) . . ?
Au01 Ag0C Au02 56.68(4) . . ?
Au01 Ag0C Au03 56.64(4) . . ?
Au01 Ag0C Au05 57.16(4) . . ?
Au01 Ag0C Au06 57.41(4) . . ?
Au01 Ag0C Ag0D 58.42(5) . . ?
Au02 Ag0C Au03 105.23(6) . . ?
Au05 Ag0C Au02 59.84(4) . . ?
Au05 Ag0C Au03 105.16(6) . . ?
Au05 Ag0C Ag0D 60.27(4) . . ?
Au06 Ag0C Au02 59.64(4) . . ?
Au06 Ag0C Au03 58.57(4) . . ?
Au06 Ag0C Au05 107.04(6) . . ?
Au06 Ag0C Ag0D 106.22(6) . . ?
Ag0D Ag0C Au02 107.54(6) . . ?
Ag0D Ag0C Au03 58.00(4) . . ?
Cl00 Ag0C Au01 178.89(19) . . ?
Cl00 Ag0C Au02 123.62(17) . . ?
Cl00 Ag0C Au03 123.73(16) . . ?
Cl00 Ag0C Au05 121.91(18) . . ?
Cl00 Ag0C Au06 123.70(19) . . ?
Cl00 Ag0C Ag0D 120.73(19) . . ?
Au01 Ag0D Au03 58.10(4) . . ?
Au01 Ag0D Au04 57.23(4) . . ?
Au01 Ag0D Au05 57.04(4) . . ?
Au01 Ag0D Ag0A 58.07(5) . . ?
Au01 Ag0D Ag0C 58.89(5) . . ?
Au03 Ag0D Au04 106.06(6) . . ?
Au03 Ag0D Au05 107.52(5) . . ?
Au03 Ag0D Ag0A 59.14(5) . . ?
Au03 Ag0D Ag0C 61.83(4) . . ?
Au04 Ag0D Au05 59.37(4) . . ?
Au04 Ag0D Ag0A 58.70(5) . . ?
Au04 Ag0D Ag0C 107.57(6) . . ?
Au05 Ag0D Ag0A 106.39(6) . . ?
Ag0C Ag0D Au05 59.49(4) . . ?
Ag0C Ag0D Ag0A 108.87(6) . . ?
S00N Ag0D Au01 172.7(2) . . ?
S00N Ag0D Au03 116.2(2) . . ?
S00N Ag0D Au04 124.0(2) . . ?
S00N Ag0D Au05 130.2(2) . . ?
S00N Ag0D Ag0A 115.6(2) . . ?
S00N Ag0D Ag0C 123.8(2) . . ?
C00S P00E Au06 120.9(5) . . ?
C01B P00E Au06 110.8(6) . . ?
C01B P00E C00S 105.3(8) . . ?
C01H P00E Au06 109.8(6) . . ?
C01H P00E C00S 101.0(8) . . ?
C01H P00E C01B 108.1(8) . . ?
C01K P00F Au04 114.4(5) . . ?
C01K P00F C01X 102.1(8) . . ?
C01K P00F C02B 110.2(7) . . ?
C01X P00F Au04 116.2(6) . . ?
C02B P00F Au04 110.1(6) . . ?
C02B P00F C01X 103.0(8) . . ?
C00X P00G Au03 117.0(5) . . ?
C00X P00G C014 103.6(7) . . ?
C00X P00G C01E 106.3(8) . . ?
C014 P00G Au03 113.4(6) . . ?
C01E P00G Au03 110.8(6) . . ?
C01E P00G C014 104.7(8) . . ?
C01F P00H Au05 113.3(6) . . ?
C020 P00H Au05 118.8(5) . . ?
C020 P00H C01F 101.0(8) . . ?
C02I P00H Au05 113.1(6) . . ?
C02I P00H C01F 106.4(8) . . ?
C02I P00H C020 102.8(8) . . ?
C01T P00I Au02 112.7(5) . . ?
C01T P00I C026 102.7(7) . . ?
C026 P00I Au02 111.7(6) . . ?
C03A P00I Au02 116.1(5) . . ?
C03A P00I C01T 106.5(7) . . ?
C03A P00I C026 106.1(8) . . ?
C02Z S00J Ag09 107.1(6) . . ?
C010 P00K Au07 118.7(6) . . ?
C048 P00K Au07 111.1(7) . . ?
C048 P00K C010 101.0(8) . . ?
C048 P00K C04D 106.8(9) . . ?
C04D P00K Au07 114.7(7) . . ?
C04D P00K C010 103.1(8) . . ?
C04Q S00L Ag0B 115.0(8) . . ?
C04E S00N Ag0D 111.0(8) . . ?
C02Y S00O Ag08 110.8(11) . . ?
C174 S1 Ag0A 107.7(6) . . ?
C00W O00Q C00U 115.8(14) . . ?
C021 O00R C02E 118.3(15) . . ?
C00U C00S P00E 119.0(9) . . ?
C00U C00S C019 120.0 . . ?
C019 C00S P00E 120.6(9) . . ?
C00S C00U O00Q 118.2(12) . . ?
C00S C00U C013 120.0 . . ?
C013 C00U O00Q 121.8(12) . . ?
C016 C013 C00U 120.0 . . ?
C01C C016 C013 120.0 . . ?
C019 C01C C016 120.0 . . ?
C01C C019 C00S 120.0 . . ?
C01D O00T C01S 119.0(14) . . ?
C02M C00V C00X 120.0 . . ?
C03K C02M C00V 120.0 . . ?
C03M C03K C02M 120.0 . . ?
C03K C03M C011 120.0 . . ?
C00X C011 C03M 120.0 . . ?
C00V C00X P00G 118.9(8) . . ?
C011 C00X P00G 121.1(8) . . ?
C011 C00X C00V 120.0 . . ?
O00Q C00W C014 119.4(13) . . ?
O00Q C00W C018 120.5(13) . . ?
C014 C00W C018 120.0 . . ?
C00W C014 P00G 117.0(9) . . ?
C01U C014 P00G 123.0(9) . . ?
C01U C014 C00W 120.0 . . ?
C014 C01U C03J 120.0 . . ?
C01U C03J C034 120.0 . . ?
C018 C034 C03J 120.0 . . ?
C034 C018 C00W 120.0 . . ?
C037 C010 P00K 122.3(10) . . ?
C037 C010 C02E 120.0 . . ?
C02E C010 P00K 117.4(10) . . ?
C032 C037 C010 120.0 . . ?
C037 C032 C04B 120.0 . . ?
C025 C04B C032 120.0 . . ?
C04B C025 C02E 120.0 . . ?
O00R C02E C010 117.0(13) . . ?
O00R C02E C025 122.8(13) . . ?
C025 C02E C010 120.0 . . ?
C01A C01B P00E 121.8(10) . . ?
C01A C01B C01Z 120.0 . . ?
C01Z C01B P00E 118.2(10) . . ?
C01B C01A C80 120.0 . . ?
C01A C80 C03G 120.0 . . ?
C035 C03G C80 120.0 . . ?
C01Z C035 C03G 120.0 . . ?
C035 C01Z C01B 120.0 . . ?
C01I C01E P00G 118.6(11) . . ?
C01I C01E C01W 120.0 . . ?
C01W C01E P00G 121.2(11) . . ?
C01E C01I C046 120.0 . . ?
C028 C046 C01I 120.0 . . ?
C046 C028 C022 120.0 . . ?
C01W C022 C028 120.0 . . ?
C022 C01W C01E 120.0 . . ?
C01R C01F P00H 120.0(9) . . ?
C01R C01F C02D 120.0 . . ?
C02D C01F P00H 119.9(9) . . ?
C01F C01R C01G 120.0 . . ?
C015 C01G C01R 120.0 . . ?
C01G C015 C03D 120.0 . . ?
C015 C03D C02D 120.0 . . ?
C03D C02D C01F 120.0 . . ?
C00Y C01L C01K 120.0 . . ?
C02U C00Y C01L 120.0 . . ?
C00Y C02U C03I 120.0 . . ?
C02U C03I C01J 120.0 . . ?
C01K C01J C03I 120.0 . . ?
C01L C01K P00F 118.8(8) . . ?
C01J C01K P00F 121.2(8) . . ?
C01J C01K C01L 120.0 . . ?
C02Z C01N C04P 118.4(7) . . ?
C023 C01Q C01H 120.0 . . ?
C036 C023 C01Q 120.0 . . ?
C023 C036 C039 120.0 . . ?
C036 C039 C00Z 120.0 . . ?
C01H C00Z C039 120.0 . . ?
C01Q C01H P00E 118.9(10) . . ?
C00Z C01H P00E 120.8(10) . . ?
C00Z C01H C01Q 120.0 . . ?
C012 C01T P00I 122.4(9) . . ?
C012 C01T C01Y 120.0 . . ?
C01Y C01T P00I 117.6(9) . . ?
C01T C012 C01V 120.0 . . ?
C02O C01V C012 120.0 . . ?
C03C C02O C01V 120.0 . . ?
C01Y C03C C02O 120.0 . . ?
C03C C01Y C01T 120.0 . . ?
C03V C01X P00F 123.1(9) . . ?
C03V C01X C021 120.0 . . ?
C021 C01X P00F 116.9(10) . . ?
C01X C03V C04F 120.0 . . ?
C04R C04F C03V 120.0 . . ?
C02Q C04R C04F 120.0 . . ?
C04R C02Q C021 120.0 . . ?
O00R C021 C01X 120.9(14) . . ?
O00R C021 C02Q 119.1(14) . . ?
C02Q C021 C01X 120.0 . . ?
C01S C020 P00H 117.4(9) . . ?
C01S C020 C03H 120.0 . . ?
C03H C020 P00H 122.2(9) . . ?
O00T C01S C020 117.3(12) . . ?
O00T C01S C038 122.2(12) . . ?
C020 C01S C038 120.0 . . ?
C54 C038 C01S 120.0 . . ?
C038 C54 C04A 120.0 . . ?
C54 C04A C03H 120.0 . . ?
C04A C03H C020 120.0 . . ?
C02G C026 P00I 120.7(8) . . ?
C02G C026 C01D 120.0 . . ?
C01D C026 P00I 119.3(8) . . ?
C02A C02G C026 120.0 . . ?
C027 C02A C02G 120.0 . . ?
C02V C027 C02A 120.0 . . ?
C01D C02V C027 120.0 . . ?
O00T C01D C026 117.5(11) . . ?
O00T C01D C02V 122.4(11) . . ?
C02V C01D C026 120.0 . . ?
C045 C02I P00H 124.1(10) . . ?
C045 C02I C03P 120.0 . . ?
C03P C02I P00H 115.7(10) . . ?
C59 C045 C02I 120.0 . . ?
C045 C59 C03B 120.0 . . ?
C59 C03B C105 120.0 . . ?
C03B C105 C03P 120.0 . . ?
C105 C03P C02I 120.0 . . ?
C048 C02J C03T 120.0 . . ?
C02J C048 P00K 117.8(10) . . ?
C02J C048 C04S 120.0 . . ?
C04S C048 P00K 122.0(10) . . ?
C159 C04S C048 120.0 . . ?
C04M C159 C04S 120.0 . . ?
C03T C04M C159 120.0 . . ?
C04M C03T C02J 120.0 . . ?
C040 C02K C02B 120.0 . . ?
C02S C040 C02K 120.0 . . ?
C040 C02S C029 120.0 . . ?
C017 C029 C02S 120.0 . . ?
C029 C017 C02B 120.0 . . ?
C02K C02B P00F 122.6(9) . . ?
C017 C02B P00F 117.1(9) . . ?
C017 C02B C02K 120.0 . . ?
N144 C02L C04I 120.5(8) . . ?
C194 N02W C03S 121.6(9) . . ?
C01N C02Z S00J 123.8(9) . . ?
C01N C02Z C04I 119.8(6) . . ?
C04I C02Z S00J 116.4(9) . . ?
N02W C03S C03W 120.0(10) . . ?
C03S C03W C04E 119.3(10) . . ?
C02T C03X C031 120.0 . . ?
C03A C02T C03X 120.0 . . ?
C02T C03A P00I 119.2(8) . . ?
C02P C03A P00I 120.8(8) . . ?
C02P C03A C02T 120.0 . . ?
C03A C02P C030 120.0 . . ?
C02P C030 C031 120.0 . . ?
C030 C031 C03X 120.0 . . ?
C04D C044 C98 120.0 . . ?
C044 C04D P00K 115.1(11) . . ?
C02N C04D P00K 124.9(11) . . ?
C02N C04D C044 120.0 . . ?
C152 C02N C04D 120.0 . . ?
C02N C152 C69 120.0 . . ?
C152 C69 C98 120.0 . . ?
C69 C98 C044 120.0 . . ?
C03W C04E S00N 121.5(16) . . ?
C03W C04E C190 119.3(8) . . ?
C190 C04E S00N 119.1(16) . . ?
C02Z C04I C02L 118.6(7) . . ?
N144 C04P C01N 120.0(9) . . ?
C61 C04Q S00L 121.1(13) . . ?
C61 C04Q C133 119.9(6) . . ?
C133 C04Q S00L 119.0(13) . . ?
N130 C118 C197 119.8(11) . . ?
C118 N130 C03E 121.8(13) . . ?
N130 C03E C175 119.9(11) . . ?
C02Y C175 C03E 118.7(10) . . ?
C175 C02Y S00O 119.0(18) . . ?
C175 C02Y C197 119.8(8) . . ?
C197 C02Y S00O 121.2(18) . . ?
C118 C197 C02Y 119.5(10) . . ?
C04Q C61 C123 118.8(7) . . ?
C04Q C133 C182 118.5(7) . . ?
N186 C182 C133 120.8(8) . . ?
C182 N186 C123 121.4(9) . . ?
C194 C190 C04E 119.2(10) . . ?
N186 C123 C61 120.5(8) . . ?
C02L N144 C04P 121.3(8) . . ?
C174 C90 C124 119.9(10) . . ?
C124 N95 C167 120.9(13) . . ?
N95 C124 C90 120.1(11) . . ?
N95 C167 C0AA 120.8(11) . . ?
C90 C174 S1 120.5(8) . . ?
C90 C174 C0AA 119.6(8) . . ?
C0AA C174 S1 120.0(8) . . ?
C174 C0AA C167 118.4(10) . . ?
N02W C194 C190 120.2(10) . . ?

_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 -0.002 2325 1004 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_DIFMN02_auag13-1_sq         
;
PROBLEM: The minimum difference density is < -0.1*ZMAX*1.00
RESPONSE: The large negative residual peak is located in the 
vicinity of the heavy atom (metal) and is associated with incomplete 
absorption correction/limited data quality rather than an unmodelled 
atom. We consider the current model to be the best chemically 
reasonable description of the structure, and the residual density does
 not affect the derived structural conclusions.
;
_vrf_PLAT084_auag13-1_sq         
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.38 Report
RESPONSE: The relatively high wR2 value arises from the presence
of a heavy atom and moderate data quality (e.g., crystal quality, 
absorption, and/or limited resolution). The connectivity, geometry
and displacement parameters are chemically reasonable, and the 
conclusions drawn from the structure are not affected by the 
elevated wR2 value.
;
_vrf_PLAT098_auag13-1_sq         
;
PROBLEM: Large Reported Min.  (Negative) Residual Density      -8.38 eA-3  
RESPONSE: The large negative residual peak is located in the vicinity 
of the heavy atom (metal) and is associated with incomplete absorption 
correction/limited data quality rather than an unmodelled atom. 
We consider the current model to be the best chemically 
reasonable description of the structure, and the residual density does
not affect the derived structural conclusions.
;
_vrf_PLAT342_auag13-1_sq         
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02343 Ang.  
RESPONSE: The modest C-C bond precision is due to the data quality
 (crystal size, diffracting power, and redundancy) rather than problems
 with the structural model.The obtained precision is sufficient for the 
discussion of connectivity and molecular geometry in this work.
;
# 
####################################################################### 
# 
# 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_auag)13-2_sq
_database_code_depnum_ccdc_archive 'CCDC 2500929'
loop_
_audit_author_name
_audit_author_address
'Cao Fang'
;Anhui University
China
;
_audit_update_record             
;
2026-01-12 deposited with the CCDC.	2026-04-10 downloaded from the CCDC.
;
_audit_creation_date             2026-01-11
_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         'C133 H104 Ag6 Au7 Cl0.97 N5 O3 P6 S5'
_chemical_formula_sum            'C133 H104 Ag6 Au7 Cl0.97 N5 O3 P6 S5'
_chemical_formula_weight         4226.70
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.149(3)
_cell_length_b                   16.597(3)
_cell_length_c                   29.570(6)
_cell_angle_alpha                86.556(16)
_cell_angle_beta                 86.473(16)
_cell_angle_gamma                88.139(16)
_cell_volume                     7404(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    21344
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      65.74
_cell_measurement_theta_min      7.87
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    20.677
_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            'metallic orangish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.896
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3965
_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  0.0906
_diffrn_reflns_av_unetI/netI     0.0726
_diffrn_reflns_Laue_measured_fraction_full 0.950
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            41333
_diffrn_reflns_point_group_measured_fraction_full 0.950
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_theta_full        62.499
_diffrn_reflns_theta_max         62.499
_diffrn_reflns_theta_min         4.017
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.950
_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                15481
_reflns_number_total             22446
_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    ?
_refine_diff_density_max         3.636
_refine_diff_density_min         -3.532
_refine_diff_density_rms         0.344
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1292
_refine_ls_number_reflns         22446
_refine_ls_number_restraints     1813
_refine_ls_R_factor_all          0.1249
_refine_ls_R_factor_gt           0.1051
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2776
_refine_ls_wR_factor_ref         0.2945
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C31-N17
 2.35 with sigma of 0.01
 C32-C10
 2.35 with sigma of 0.01
 N17-C18
 2.35 with sigma of 0.01
 S00O-C87
 1.8 with sigma of 0.01
 S00O-C0AA
 2.75 with sigma of 0.01
 S00O-N158
 2.75 with sigma of 0.01
 S1-C61
 2.75 with sigma of 0.01
 S1-N12
 2.75 with sigma of 0.01
 C98-C98_$1
 2.7 with sigma of 0.01
 S00P-C339
 1.75 with sigma of 0.01
 C102-C01M = C71-C03N
 1.39 with sigma of 0.01
 N02Z-C01M = N02Z-C03N
 1.32 with sigma of 0.01
 C71-C03N = C102-C01M
 1.39 with sigma of 0.01
 C71-C13 = C13-C102
 1.39 with sigma of 0.01
 C01M-C13
 2.35 with sigma of 0.01
 C102-C71
 2.35 with sigma of 0.01
 C13-C03N
 2.35 with sigma of 0.01
 S00L-C102
 2.7 with sigma of 0.01
 N02Z-S00L
 2.7 with sigma of 0.01
 C339-C145 = C79-C34
 1.39 with sigma of 0.01
 N253-C339 = N253-C34
 1.32 with sigma of 0.01
 N253-C79
 2.35 with sigma of 0.01
 C339-C34
 2.35 with sigma of 0.01
 C145-N253
 2.35 with sigma of 0.01
 C90-C79 = C90-C145
 1.39 with sigma of 0.01
 C34-C90
 2.35 with sigma of 0.01
 S00P-C145
 2.75 with sigma of 0.01
 N253-S00P
 2.75 with sigma of 0.01
 C87-C0AA = C98-C5AA
 1.39 with sigma of 0.01
 N158-C87 = N158-C5AA
 1.32 with sigma of 0.01
 C87-C5AA
 2.35 with sigma of 0.01
 C0AA-N158
 2.35 with sigma of 0.01
 N158-C98
 2.35 with sigma of 0.01
 C98-C0AA
 2.35 with sigma of 0.01
 C6AA-C0AA = C98-C6AA
 1.39 with sigma of 0.01
 C87-C6AA
 2.35 with sigma of 0.01
 C0AA-C98
 2.35 with sigma of 0.01
 C6AA-C5AA
 2.35 with sigma of 0.01
 C6AA-C6AA_$1
 2.6 with sigma of 0.01
 N17-C10 = N17-C32
 1.32 with sigma of 0.01
 C10-C32
 2.35 with sigma of 0.01
 N17-C31
 2.35 with sigma of 0.01
 C31-C18
 2.35 with sigma of 0.01
 C18-N17
 2.35 with sigma of 0.01
 C10-C18 = C32-C31
 1.39 with sigma of 0.01
 C26-C18 = C31-C26
 1.39 with sigma of 0.01
 C18-C31
 2.35 with sigma of 0.01
 C10-C26
 2.35 with sigma of 0.01
 C26-C32
 2.35 with sigma of 0.01
 C37-C120 = C61-C52
 1.39 with sigma of 0.01
 N12-C52 = N12-C37
 1.32 with sigma of 0.01
 C61-N12
 2.35 with sigma of 0.01
 C52-C37
 2.35 with sigma of 0.01
 N12-C120
 2.35 with sigma of 0.01
 C120-C61
 2.35 with sigma of 0.01
 C61-C100 = C120-C100
 1.39 with sigma of 0.01
 C52-C100
 2.35 with sigma of 0.01
 C100-C37
 2.35 with sigma of 0.01
3. Restrained planarity
 S00O, C87, N158, C5AA, C98, C0AA
 with sigma of 0.1
 S00M, C10, N17, C32, C31, C18
 with sigma of 0.1
 S00L, C01M, N02Z, C03N, C71, C102
 with sigma of 0.1
 S00L, C01M, C102, N02Z, C71, C03N
 with sigma of 0.1
 S00P, C339, C145, N253, C34, C79
 with sigma of 0.1
 S00P, C339, N253, C34, C79, C90, C145
 with sigma of 0.1
 S00O, C87, C0AA, N158, C5AA, C98
 with sigma of 0.1
 S00L, C01M, C102, C13, C71, C03N, N02Z
 with sigma of 0.1
 S00M, C10, C18, N17, C32, C31
 with sigma of 0.1
 S00M, C10, C18, C26, C31, C32, N17
 with sigma of 0.1
 C10, C18, C26, C31, C32, N17
 with sigma of 0.1
 S1, C52, C61, N12, C37, C120
 with sigma of 0.1
 S1, C52, C61, C100, C120, C37, N12
 with sigma of 0.1
 S00O, C87, C0AA, C6AA, C98, C5AA, N158
 with sigma of 0.1
 C87, C0AA, C6AA, C98, C5AA, N158
 with sigma of 0.1
 C339, C145, C90, C79, C34, N253
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C10 \\sim C18 \\sim S00M \\sim C26 \\sim C31 \\sim C32 \\sim N17: within 3.8A
with sigma of 0.01 and sigma for terminal atoms of 0.02
S1 \\sim C52 \\sim C61 \\sim C100 \\sim C120 \\sim C37 \\sim N12: within 3.8A
with sigma of 0.01 and sigma for terminal atoms of 0.02
S00O \\sim C87 \\sim C0AA \\sim C6AA \\sim C98 \\sim C5AA \\sim N158: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
S00P \\sim C145 \\sim C339 \\sim C90 \\sim C79 \\sim N253 \\sim C34: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
C7 \\sim C118 \\sim P00N \\sim C03R \\sim C95 \\sim C032 \\sim C22: within 3.8A
with sigma of 0.01 and sigma for terminal atoms of 0.02
O00T \\sim C02A \\sim C01O \\sim C031 \\sim C44 \\sim C4AA \\sim C50: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
P00N \\sim C86 \\sim C91 \\sim C2AA \\sim C27 \\sim C33 \\sim C58: within 3.8A
with sigma of 0.01 and sigma for terminal atoms of 0.02
S00L \\sim C01M \\sim N02Z \\sim C102 \\sim C13 \\sim C71 \\sim C03N: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C00S) \\sim Ueq, Uanis(C01P) \\sim Ueq, Uanis(C02T) \\sim Ueq,
Uanis(C113) \\sim Ueq, Uanis(C02V) \\sim Ueq, Uanis(C00U) \\sim Ueq,
Uanis(C00V) \\sim Ueq, Uanis(C02Q) \\sim Ueq, Uanis(C02M) \\sim Ueq,
Uanis(C01W) \\sim Ueq, Uanis(C02N) \\sim Ueq, Uanis(C01U) \\sim Ueq,
Uanis(C017) \\sim Ueq, Uanis(C00W) \\sim Ueq, Uanis(C02C) \\sim Ueq,
Uanis(C01A) \\sim Ueq, Uanis(C014) \\sim Ueq, Uanis(C01T) \\sim Ueq,
Uanis(C019) \\sim Ueq, Uanis(C01C) \\sim Ueq, Uanis(C011) \\sim Ueq,
Uanis(C01F) \\sim Ueq, Uanis(C03H) \\sim Ueq, Uanis(C035) \\sim Ueq,
Uanis(C02O) \\sim Ueq, Uanis(C01D) \\sim Ueq, Uanis(C022) \\sim Ueq,
Uanis(C01E) \\sim Ueq, Uanis(C034) \\sim Ueq, Uanis(C02U) \\sim Ueq,
Uanis(C01G) \\sim Ueq, Uanis(C01H) \\sim Ueq, Uanis(C01J) \\sim Ueq,
Uanis(C01K) \\sim Ueq, Uanis(C01L) \\sim Ueq, Uanis(C00Y) \\sim Ueq,
Uanis(C018) \\sim Ueq, Uanis(C02I) \\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C03K)
\\sim Ueq, Uanis(C026) \\sim Ueq, Uanis(C015) \\sim Ueq, Uanis(C01X) \\sim Ueq,
Uanis(C01R) \\sim Ueq, Uanis(C00X) \\sim Ueq, Uanis(C023) \\sim Ueq,
Uanis(C028) \\sim Ueq, Uanis(C01Y) \\sim Ueq, Uanis(C02F) \\sim Ueq,
Uanis(C037) \\sim Ueq, Uanis(C02J) \\sim Ueq, Uanis(C01S) \\sim Ueq,
Uanis(C02E) \\sim Ueq, Uanis(C00Z) \\sim Ueq, Uanis(C01B) \\sim Ueq,
Uanis(C01V) \\sim Ueq, Uanis(C013) \\sim Ueq, Uanis(C024) \\sim Ueq,
Uanis(C02G) \\sim Ueq, Uanis(C02W) \\sim Ueq, Uanis(C02L) \\sim Ueq,
Uanis(C033) \\sim Ueq, Uanis(C03A) \\sim Ueq, Uanis(C029) \\sim Ueq,
Uanis(C02H) \\sim Ueq, Uanis(C020) \\sim Ueq, Uanis(C02P) \\sim Ueq,
Uanis(C01I) \\sim Ueq, Uanis(C02K) \\sim Ueq, Uanis(C02X) \\sim Ueq,
Uanis(C02S) \\sim Ueq, Uanis(C036) \\sim Ueq, Uanis(C02R) \\sim Ueq,
Uanis(C146) \\sim Ueq, Uanis(C68) \\sim Ueq, Uanis(C025) \\sim Ueq, Uanis(C02D)
\\sim Ueq, Uanis(C03C) \\sim Ueq, Uanis(C02B) \\sim Ueq, Uanis(C030) \\sim Ueq,
Uanis(C03F) \\sim Ueq, Uanis(C03B) \\sim Ueq, Uanis(C1AA) \\sim Ueq,
Uanis(C03P) \\sim Ueq, Uanis(C97) \\sim Ueq, Uanis(C016) \\sim Ueq, Uanis(C010)
\\sim Ueq, Uanis(C01N) \\sim Ueq, Uanis(C038) \\sim Ueq, Uanis(C44) \\sim Ueq,
Uanis(C50) \\sim Ueq, Uanis(C4AA) \\sim Ueq, Uanis(C01O) \\sim Ueq, Uanis(C02A)
\\sim Ueq, Uanis(C031) \\sim Ueq, Uanis(C03R) \\sim Ueq, Uanis(C95) \\sim Ueq,
Uanis(C118) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(C032)
\\sim Ueq, Uanis(C86) \\sim Ueq, Uanis(C2AA) \\sim Ueq, Uanis(C27) \\sim Ueq,
Uanis(C33) \\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(C91) \\sim Ueq, Uanis(C10)
\\sim Ueq, Uanis(N17) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C31) \\sim Ueq,
Uanis(C32) \\sim Ueq, Uanis(C102) \\sim Ueq, Uanis(C01M) \\sim Ueq, Uanis(N02Z)
\\sim Ueq, Uanis(C03N) \\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C339) \\sim Ueq,
Uanis(C145) \\sim Ueq, Uanis(C79) \\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(N253)
\\sim Ueq, Uanis(C87) \\sim Ueq, Uanis(N158) \\sim Ueq, Uanis(C5AA) \\sim Ueq,
Uanis(C98) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C61)
\\sim Ueq, Uanis(C120) \\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(N12) \\sim Ueq,
Uanis(C16) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(S00L) \\sim Ueq, Uanis(C01M) \\sim Ueq, Uanis(N02Z) \\sim Ueq,
Uanis(C102) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C03N)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5.a Aromatic/amide H refined with riding coordinates:
 C01P(H01P), C02T(H02T), C113(H113), C02V(H02V), C02Q(H02Q), C02M(H02M),
 C01W(H01W), C02N(H02N), C01U(H01U), C00W(H00W), C02C(H02C), C01A(H01A),
 C014(H014), C01T(H01T), C01C(H01C), C01F(H01F), C03H(H03H), C035(H035),
 C02O(H02O), C022(H022), C01E(H01E), C034(H034), C02U(H02U), C01G(H01G),
 C01L(H01L), C02I(H02I), C36(H36), C03K(H03K), C026(H026), C015(H015),
 C01X(H01X), C01R(H01R), C023(H023), C01K(H01K), C01J(H01J), C019(H019),
 C02S(H02S), C028(H028), C02F(H02F), C037(H037), C02J(H02J), C01S(H01S),
 C02E(H02E), C00Z(H00Z), C01B(H01B), C01V(H01V), C024(H024), C02W(H02W),
 C02L(H02L), C033(H033), C03A(H03A), C020(H020), C02P(H02P), C01I(H01I),
 C02K(H02K), C02X(H02X), C02R(H02R), C146(H146), C68(H68), C025(H025),
 C03C(H03C), C03F(H03F), C03B(H03B), C1AA(H1AA), C03P(H03P), C97(H97),
 C016(H016), C01N(H01N), C038(H038), C44(H44), C50(H50), C4AA(H4AA), C031(H031),
  C95(H95), C118(H118), C7(H7), C22(H22), C032(H032), C2AA(H2AA), C27(H27),
 C33(H33), C58(H58), C91(H91), C18(H18), C31(H31), C32(H32), C102(H102),
 C03N(H03N), C71(H71), C145(H145), C79(H79), C34(H34), C5AA(H5AA), C98(H98),
 C0AA(H0AA), C61(H61), C120(H120), C37(H37), C16(H16), C13(H13), C90(H90),
 C6AA(H6AA), C26(H26), C100(H100)
5.b Fitted hexagon refined as free rotating group:
 C00S(C01P,C02T,C113,C02V,C00U), C00V(C02Q,C02M,C01W,C02N,C01U), C017(C00W,
 C02C,C01A,C014,C01T), C01C(C011,C01F,C03H,C035,C02O), C01D(C022,C01E,C034,C02U,
 C01G), C01L(C00Y,C018,C02I,C36,C03K), C023(C01H,C01K,C01J,C019,C02S),
 C028(C01Y,C02F,C037,C02J,C01S), C02E(C00Z,C01B,C01V,C013,C024), C02G(C02W,C02L,
 C033,C03A,C029), C02H(C020,C02P,C01I,C02K,C02X), C036(C02R,C146,C68,C025,C02D),
  C03C(C02B,C030,C03F,C03B,C1AA), C03P(C97,C016,C010,C01N,C038), C44(C50,C4AA,
 C01O,C02A,C031), C03R(C95,C118,C7,C22,C032), C86(C2AA,C27,C33,C58,C91)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.62978(5) 0.30553(3) 0.24926(2) 0.0632(2) Uani 1 1 d . . . . .
Au02 Au 0.61574(6) 0.47053(4) 0.24472(3) 0.0662(2) Uani 1 1 d . . . . .
Au03 Au 0.57711(6) 0.37918(4) 0.17056(2) 0.0663(2) Uani 1 1 d . . . . .
Au04 Au 0.50498(6) 0.22387(4) 0.30103(2) 0.0646(2) Uani 1 1 d . . . . .
Au05 Au 0.57446(6) 0.37528(4) 0.32763(2) 0.0688(2) Uani 1 1 d . . . . .
Au06 Au 0.64444(6) 0.14120(4) 0.24968(3) 0.0724(2) Uani 1 1 d . . . . .
Au07 Au 0.79571(6) 0.23749(5) 0.24610(3) 0.0797(3) Uani 1 1 d . . . . .
Ag08 Ag 0.50474(9) 0.23089(6) 0.20287(4) 0.0553(3) Uani 1 1 d . . . . .
Ag09 Ag 0.75699(9) 0.38653(6) 0.19413(4) 0.0603(3) Uani 1 1 d . . . . .
Ag0A Ag 0.68492(9) 0.23008(6) 0.32953(4) 0.0604(3) Uani 1 1 d . . . . .
Ag0B Ag 0.68983(10) 0.23616(6) 0.16810(4) 0.0645(3) Uani 1 1 d . . . . .
Ag0C Ag 0.45944(10) 0.37541(6) 0.25329(4) 0.0630(3) Uani 1 1 d . . . . .
Ag0D Ag 0.75730(10) 0.38349(7) 0.29128(5) 0.0706(4) Uani 1 1 d . . . . .
P00E P 0.4031(4) 0.1522(3) 0.34574(16) 0.0660(11) Uani 1 1 d . . . . .
P00F P 0.6084(4) 0.6085(2) 0.24010(17) 0.0692(12) Uani 1 1 d . . . . .
Cl00 Cl 0.3189(3) 0.4464(3) 0.25428(17) 0.0771(18) Uani 0.970(18) 1 d . . . . .
P00H P 0.6576(4) 0.0035(3) 0.2454(2) 0.0823(15) Uani 1 1 d . . . . .
P00I P 0.5323(4) 0.4237(3) 0.39720(16) 0.0778(14) Uani 1 1 d . . . . .
P00J P 0.5411(4) 0.4428(3) 0.10356(16) 0.0707(12) Uani 1 1 d . . . . .
S1 S 0.8685(4) 0.4456(4) 0.3299(2) 0.1015(17) Uani 1 1 d D U . . .
S00L S 0.4091(5) 0.1761(3) 0.1515(2) 0.0977(16) Uani 1 1 d D U . . .
S00M S 0.7207(5) 0.1576(4) 0.3991(2) 0.1028(17) Uani 1 1 d . U . . .
P00N P 0.9349(5) 0.1783(4) 0.2413(3) 0.1000(16) Uani 1 1 d . U . . .
S00O S 0.8570(7) 0.4569(6) 0.1436(3) 0.144(3) Uani 1 1 d D U . . .
S00P S 0.7384(8) 0.1530(6) 0.1083(4) 0.154(3) Uani 1 1 d D U . . .
O00Q O 0.4646(10) 0.2587(7) 0.4105(4) 0.078(4) Uani 1 1 d . . . . .
O00R O 0.6348(10) 0.5728(7) 0.1417(4) 0.071(3) Uani 1 1 d . . . . .
C00S C 0.5851(8) 0.6439(6) 0.1469(4) 0.070(4) Uani 1 1 d . U . . .
C01P C 0.5543(10) 0.6905(7) 0.1103(3) 0.083(5) Uani 1 1 d G U . . .
H01P H 0.570351 0.676170 0.080172 0.100 Uiso 1 1 calc R . . . .
C02T C 0.4999(10) 0.7581(7) 0.1176(4) 0.093(6) Uani 1 1 d G U . . .
H02T H 0.478842 0.790018 0.092510 0.111 Uiso 1 1 calc R . . . .
C113 C 0.4764(9) 0.7791(7) 0.1616(4) 0.098(7) Uani 1 1 d G U . . .
H113 H 0.439203 0.825348 0.166613 0.117 Uiso 1 1 calc R . . . .
C02V C 0.5072(9) 0.7325(7) 0.1983(3) 0.073(5) Uani 1 1 d G U . . .
H02V H 0.491072 0.746832 0.228380 0.088 Uiso 1 1 calc R . . . .
C00U C 0.5615(9) 0.6649(6) 0.1910(3) 0.066(4) Uani 1 1 d G U . . .
O00T O 0.8407(13) 0.0441(10) 0.2136(7) 0.109(3) Uani 1 1 d . U . . .
C00V C 0.7122(10) -0.0486(8) 0.2920(5) 0.083(5) Uani 1 1 d . U . . .
C02Q C 0.7487(11) -0.0029(6) 0.3236(5) 0.090(6) Uani 1 1 d G U . . .
H02Q H 0.742805 0.054378 0.321115 0.108 Uiso 1 1 calc R . . . .
C02M C 0.7940(11) -0.0409(8) 0.3588(5) 0.099(7) Uani 1 1 d G U . . .
H02M H 0.818950 -0.009632 0.380378 0.119 Uiso 1 1 calc R . . . .
C01W C 0.8027(11) -0.1246(9) 0.3624(5) 0.108(8) Uani 1 1 d G U . . .
H01W H 0.833582 -0.150596 0.386419 0.130 Uiso 1 1 calc R . . . .
C02N C 0.7661(11) -0.1703(6) 0.3307(5) 0.099(7) Uani 1 1 d G U . . .
H02N H 0.772070 -0.227552 0.333198 0.118 Uiso 1 1 calc R . . . .
C01U C 0.7209(10) -0.1323(8) 0.2955(5) 0.091(6) Uani 1 1 d G U . . .
H01U H 0.695924 -0.163543 0.273935 0.109 Uiso 1 1 calc R . . . .
C017 C 0.3232(8) 0.1032(7) 0.3126(4) 0.065(4) Uani 1 1 d . U . . .
C00W C 0.2848(9) 0.0313(7) 0.3287(4) 0.074(5) Uani 1 1 d G U . . .
H00W H 0.299363 0.006943 0.357306 0.088 Uiso 1 1 calc R . . . .
C02C C 0.2251(9) -0.0050(7) 0.3030(5) 0.089(6) Uani 1 1 d G U . . .
H02C H 0.198890 -0.054139 0.314056 0.107 Uiso 1 1 calc R . . . .
C01A C 0.2039(9) 0.0306(9) 0.2612(5) 0.091(6) Uani 1 1 d G U . . .
H01A H 0.163064 0.005790 0.243632 0.109 Uiso 1 1 calc R . . . .
C014 C 0.2423(10) 0.1025(9) 0.2450(4) 0.101(7) Uani 1 1 d G U . . .
H014 H 0.227709 0.126802 0.216457 0.122 Uiso 1 1 calc R . . . .
C01T C 0.3019(10) 0.1388(7) 0.2707(4) 0.095(6) Uani 1 1 d G U . . .
H01T H 0.328183 0.187886 0.259706 0.114 Uiso 1 1 calc R . . . .
C01C C 0.3813(9) 0.4689(8) 0.4500(3) 0.083(5) Uani 1 1 d . U . . .
H01C H 0.418082 0.467558 0.474944 0.099 Uiso 1 1 calc R . . . .
C011 C 0.4170(7) 0.4515(7) 0.4072(4) 0.069(4) Uani 1 1 d G U . . .
C01F C 0.3632(9) 0.4535(8) 0.3707(3) 0.078(5) Uani 1 1 d G U . . .
H01F H 0.387614 0.441631 0.341427 0.093 Uiso 1 1 calc R . . . .
C03H C 0.2735(9) 0.4730(9) 0.3771(4) 0.096(6) Uani 1 1 d G U . . .
H03H H 0.236667 0.474340 0.352177 0.116 Uiso 1 1 calc R . . . .
C035 C 0.2377(7) 0.4904(9) 0.4199(5) 0.090(6) Uani 1 1 d G U . . .
H035 H 0.176426 0.503659 0.424311 0.108 Uiso 1 1 calc R . . . .
C02O C 0.2916(9) 0.4884(8) 0.4564(4) 0.090(6) Uani 1 1 d G U . . .
H02O H 0.267132 0.500268 0.485694 0.108 Uiso 1 1 calc R . . . .
C01D C 0.4508(8) 0.5172(7) 0.1073(4) 0.067(4) Uani 1 1 d . U . . .
C022 C 0.4306(9) 0.5651(7) 0.0689(3) 0.082(5) Uani 1 1 d G U . . .
H022 H 0.462938 0.557678 0.040778 0.099 Uiso 1 1 calc R . . . .
C01E C 0.3633(10) 0.6238(7) 0.0716(4) 0.085(5) Uani 1 1 d G U . . .
H01E H 0.349488 0.656477 0.045302 0.103 Uiso 1 1 calc R . . . .
C034 C 0.3160(9) 0.6346(7) 0.1126(5) 0.090(6) Uani 1 1 d G U . . .
H034 H 0.269953 0.674726 0.114482 0.107 Uiso 1 1 calc R . . . .
C02U C 0.3362(9) 0.5868(8) 0.1511(4) 0.094(6) Uani 1 1 d G U . . .
H02U H 0.303867 0.594175 0.179137 0.113 Uiso 1 1 calc R . . . .
C01G C 0.4035(9) 0.5281(8) 0.1484(3) 0.085(5) Uani 1 1 d G U . . .
H01G H 0.417317 0.495375 0.174614 0.101 Uiso 1 1 calc R . . . .
C01L C 0.3276(9) 0.2833(8) 0.4543(4) 0.081(5) Uani 1 1 d . U . . .
H01L H 0.357232 0.310904 0.475844 0.098 Uiso 1 1 calc R . . . .
C00Y C 0.3759(7) 0.2471(8) 0.4191(4) 0.075(5) Uani 1 1 d G U . . .
C018 C 0.3326(9) 0.2067(7) 0.3875(4) 0.068(4) Uani 1 1 d G U . . .
C02I C 0.2409(9) 0.2025(8) 0.3911(4) 0.095(6) Uani 1 1 d G U . . .
H02I H 0.211292 0.174867 0.369520 0.114 Uiso 1 1 calc R . . . .
C36 C 0.1926(7) 0.2387(10) 0.4263(5) 0.104(7) Uani 1 1 d G U . . .
H36 H 0.129930 0.235854 0.428730 0.125 Uiso 1 1 calc R . . . .
C03K C 0.2359(9) 0.2791(9) 0.4579(4) 0.095(6) Uani 1 1 d G U . . .
H03K H 0.202898 0.303873 0.481892 0.114 Uiso 1 1 calc R . . . .
C026 C 0.7333(19) 0.5744(14) 0.4059(9) 0.100(7) Uani 1 1 d . U . . .
H026 H 0.793834 0.572305 0.395531 0.119 Uiso 1 1 calc R . . . .
C015 C 0.6971(17) 0.6430(13) 0.4270(7) 0.085(5) Uani 1 1 d . U . . .
H015 H 0.732487 0.685978 0.434414 0.102 Uiso 1 1 calc R . . . .
C01X C 0.6030(17) 0.6434(13) 0.4366(8) 0.089(6) Uani 1 1 d . U . . .
H01X H 0.576009 0.688727 0.450653 0.107 Uiso 1 1 calc R . . . .
C01R C 0.5515(15) 0.5846(11) 0.4271(6) 0.077(5) Uani 1 1 d . U . . .
H01R H 0.489073 0.590852 0.431415 0.092 Uiso 1 1 calc R . . . .
C00X C 0.5914(15) 0.5092(11) 0.4097(7) 0.073(5) Uani 1 1 d . U . . .
C023 C 0.5697(8) 0.3034(8) 0.0583(5) 0.083(5) Uani 1 1 d . U . . .
H023 H 0.623728 0.299466 0.073084 0.100 Uiso 1 1 calc R . . . .
C01H C 0.5128(9) 0.3699(7) 0.0638(4) 0.081(5) Uani 1 1 d G U . . .
C01K C 0.4338(8) 0.3756(6) 0.0421(4) 0.072(5) Uani 1 1 d G U . . .
H01K H 0.394924 0.421077 0.045923 0.086 Uiso 1 1 calc R . . . .
C01J C 0.4118(8) 0.3148(8) 0.0149(5) 0.086(6) Uani 1 1 d G U . . .
H01J H 0.357779 0.318720 0.000049 0.103 Uiso 1 1 calc R . . . .
C019 C 0.4687(10) 0.2483(7) 0.0093(4) 0.087(6) Uani 1 1 d G U . . .
H019 H 0.453607 0.206735 -0.009309 0.105 Uiso 1 1 calc R . . . .
C02S C 0.5477(9) 0.2426(7) 0.0310(5) 0.098(7) Uani 1 1 d G U . . .
H02S H 0.586582 0.197107 0.027208 0.118 Uiso 1 1 calc R . . . .
C028 C 0.4566(9) 0.6184(7) 0.2946(5) 0.087(6) Uani 1 1 d . U . . .
H028 H 0.436603 0.578986 0.275924 0.104 Uiso 1 1 calc R . . . .
C01Y C 0.5422(9) 0.6464(8) 0.2875(4) 0.077(5) Uani 1 1 d G U . . .
C02F C 0.5715(7) 0.7041(8) 0.3148(5) 0.079(5) Uani 1 1 d G U . . .
H02F H 0.629924 0.723247 0.309917 0.095 Uiso 1 1 calc R . . . .
C037 C 0.5153(10) 0.7339(7) 0.3492(4) 0.081(5) Uani 1 1 d G U . . .
H037 H 0.535286 0.773375 0.367867 0.097 Uiso 1 1 calc R . . . .
C02J C 0.4297(9) 0.7060(8) 0.3563(4) 0.096(6) Uani 1 1 d G U . . .
H02J H 0.391307 0.726308 0.379847 0.115 Uiso 1 1 calc R . . . .
C01S C 0.4004(7) 0.6482(8) 0.3290(5) 0.086(6) Uani 1 1 d G U . . .
H01S H 0.341964 0.629114 0.333876 0.103 Uiso 1 1 calc R . . . .
C02E C 0.4119(9) -0.0275(8) 0.2055(4) 0.085(6) Uani 1 1 d . U . . .
H02E H 0.377511 -0.005956 0.181586 0.102 Uiso 1 1 calc R . . . .
C00Z C 0.3760(7) -0.0835(8) 0.2377(5) 0.082(5) Uani 1 1 d G U . . .
H00Z H 0.316992 -0.100176 0.235900 0.098 Uiso 1 1 calc R . . . .
C01B C 0.4264(9) -0.1151(7) 0.2727(4) 0.086(6) Uani 1 1 d G U . . .
H01B H 0.401801 -0.153302 0.294769 0.104 Uiso 1 1 calc R . . . .
C01V C 0.5127(9) -0.0906(8) 0.2754(4) 0.084(5) Uani 1 1 d G U . . .
H01V H 0.547131 -0.112208 0.299324 0.101 Uiso 1 1 calc R . . . .
C013 C 0.5487(7) -0.0347(8) 0.2432(5) 0.085(5) Uani 1 1 d G U . . .
C024 C 0.4983(9) -0.0031(7) 0.2082(4) 0.086(6) Uani 1 1 d G U . . .
H024 H 0.522844 0.035139 0.186141 0.104 Uiso 1 1 calc R . . . .
C02G C 0.5530(9) 0.3500(6) 0.4435(3) 0.063(4) Uani 1 1 d . U . . .
C02W C 0.6106(9) 0.3649(6) 0.4767(4) 0.081(5) Uani 1 1 d G U . . .
H02W H 0.638550 0.415377 0.476132 0.097 Uiso 1 1 calc R . . . .
C02L C 0.6275(9) 0.3058(7) 0.5107(4) 0.078(5) Uani 1 1 d G U . . .
H02L H 0.666842 0.315914 0.533313 0.094 Uiso 1 1 calc R . . . .
C033 C 0.5866(10) 0.2319(6) 0.5115(4) 0.085(5) Uani 1 1 d G U . . .
H033 H 0.598114 0.191474 0.534687 0.101 Uiso 1 1 calc R . . . .
C03A C 0.5290(9) 0.2170(5) 0.4783(4) 0.076(5) Uani 1 1 d G U . . .
H03A H 0.501094 0.166495 0.478879 0.092 Uiso 1 1 calc R . . . .
C029 C 0.5122(8) 0.2761(7) 0.4444(4) 0.076(5) Uani 1 1 d G U . . .
C02H C 0.4508(9) 0.0733(7) 0.3834(4) 0.073(5) Uani 1 1 d . U . . .
C020 C 0.4067(8) 0.0455(8) 0.4237(4) 0.090(6) Uani 1 1 d G U . . .
H020 H 0.351744 0.069987 0.433314 0.108 Uiso 1 1 calc R . . . .
C02P C 0.4431(9) -0.0180(7) 0.4499(4) 0.084(5) Uani 1 1 d G U . . .
H02P H 0.413017 -0.036989 0.477379 0.101 Uiso 1 1 calc R . . . .
C01I C 0.5236(9) -0.0538(7) 0.4358(4) 0.084(5) Uani 1 1 d G U . . .
H01I H 0.548477 -0.097200 0.453661 0.101 Uiso 1 1 calc R . . . .
C02K C 0.5677(8) -0.0260(8) 0.3955(5) 0.103(7) Uani 1 1 d G U . . .
H02K H 0.622664 -0.050436 0.385878 0.124 Uiso 1 1 calc R . . . .
C02X C 0.5313(9) 0.0376(8) 0.3693(4) 0.081(5) Uani 1 1 d G U . . .
H02X H 0.561392 0.056540 0.341811 0.097 Uiso 1 1 calc R . . . .
C036 C 0.6692(9) 0.5562(7) 0.0994(3) 0.079(5) Uani 1 1 d . U . . .
C02R C 0.7421(9) 0.5984(7) 0.0812(5) 0.082(5) Uani 1 1 d G U . . .
H02R H 0.765255 0.639722 0.097440 0.099 Uiso 1 1 calc R . . . .
C146 C 0.7812(8) 0.5800(9) 0.0391(5) 0.109(8) Uani 1 1 d G U . . .
H146 H 0.831003 0.608796 0.026659 0.131 Uiso 1 1 calc R . . . .
C68 C 0.7473(10) 0.5195(9) 0.0153(4) 0.099(7) Uani 1 1 d G U . . .
H68 H 0.773963 0.506913 -0.013463 0.119 Uiso 1 1 calc R . . . .
C025 C 0.6743(10) 0.4773(7) 0.0335(4) 0.087(6) Uani 1 1 d G U . . .
H025 H 0.651173 0.435956 0.017197 0.104 Uiso 1 1 calc R . . . .
C02D C 0.6353(8) 0.4957(7) 0.0755(4) 0.063(4) Uani 1 1 d G U . . .
C03C C 0.6830(9) -0.0885(10) 0.1671(6) 0.097(7) Uani 1 1 d . U . . .
H03C H 0.624049 -0.105808 0.173000 0.117 Uiso 1 1 calc R . . . .
C02B C 0.7185(11) -0.0359(9) 0.1956(5) 0.089(6) Uani 1 1 d G U . . .
C030 C 0.8047(12) -0.0106(9) 0.1870(6) 0.099(7) Uani 1 1 d G U . . .
C03F C 0.8556(9) -0.0378(12) 0.1499(7) 0.138(11) Uani 1 1 d G U . . .
H03F H 0.914577 -0.020539 0.144039 0.165 Uiso 1 1 calc R . . . .
C03B C 0.8202(13) -0.0904(12) 0.1215(6) 0.131(10) Uani 1 1 d G U . . .
H03B H 0.854928 -0.109061 0.096133 0.157 Uiso 1 1 calc R . . . .
C1AA C 0.7339(13) -0.1158(10) 0.1301(6) 0.112(8) Uani 1 1 d G U . . .
H1AA H 0.709664 -0.151697 0.110613 0.134 Uiso 1 1 calc R . . . .
C03P C 0.8874(9) 0.7012(11) 0.2458(7) 0.118(9) Uani 1 1 d . U . . .
H03P H 0.945955 0.719304 0.247161 0.141 Uiso 1 1 calc R . . . .
C97 C 0.8355(11) 0.7310(9) 0.2110(6) 0.126(10) Uani 1 1 d G U . . .
H97 H 0.858638 0.769437 0.188622 0.151 Uiso 1 1 calc R . . . .
C016 C 0.7498(11) 0.7045(9) 0.2089(5) 0.098(7) Uani 1 1 d G U . . .
H016 H 0.714365 0.724883 0.185175 0.117 Uiso 1 1 calc R . . . .
C010 C 0.7160(8) 0.6483(8) 0.2417(5) 0.075(5) Uani 1 1 d G U . . .
C01N C 0.7678(11) 0.6185(8) 0.2764(4) 0.094(6) Uani 1 1 d G U . . .
H01N H 0.744721 0.580063 0.298807 0.113 Uiso 1 1 calc R . . . .
C038 C 0.8535(11) 0.6450(11) 0.2785(6) 0.130(10) Uani 1 1 d G U . . .
H038 H 0.888995 0.624616 0.302254 0.156 Uiso 1 1 calc R . . . .
C44 C 1.0132(12) -0.0286(11) 0.3127(6) 0.117(4) Uani 1 1 d . U . . .
H44 H 1.051258 -0.043917 0.336311 0.140 Uiso 1 1 calc R . . . .
C50 C 0.9702(13) -0.0874(7) 0.2915(6) 0.115(3) Uani 1 1 d G U . . .
H50 H 0.978868 -0.142778 0.300626 0.138 Uiso 1 1 calc R . . . .
C4AA C 0.9145(12) -0.0650(9) 0.2570(6) 0.113(3) Uani 1 1 d G U . . .
H4AA H 0.885139 -0.105143 0.242487 0.136 Uiso 1 1 calc R . . . .
C01O C 0.9019(12) 0.0161(11) 0.2436(6) 0.113(3) Uani 1 1 d G U . . .
C02A C 0.9449(13) 0.0748(7) 0.2648(7) 0.112(3) Uani 1 1 d G U . . .
C031 C 1.0005(12) 0.0524(9) 0.2994(6) 0.113(3) Uani 1 1 d G U . . .
H031 H 1.029919 0.092583 0.313857 0.136 Uiso 1 1 calc R . . . .
C03R C 1.0122(11) 0.2304(9) 0.2714(6) 0.107(3) Uani 1 1 d . U . . .
C95 C 0.9844(10) 0.2521(11) 0.3148(6) 0.110(3) Uani 1 1 d G U . . .
H95 H 0.928590 0.235617 0.327918 0.132 Uiso 1 1 calc R . . . .
C118 C 1.0384(12) 0.2978(10) 0.3390(5) 0.113(3) Uani 1 1 d G U . . .
H118 H 1.019369 0.312568 0.368648 0.136 Uiso 1 1 calc R . . . .
C7 C 1.1200(11) 0.3218(10) 0.3198(6) 0.111(3) Uani 1 1 d G U . . .
H7 H 1.156901 0.353076 0.336320 0.133 Uiso 1 1 calc R . . . .
C22 C 1.1478(9) 0.3002(11) 0.2764(6) 0.112(3) Uani 1 1 d G U . . .
H22 H 1.203657 0.316633 0.263261 0.135 Uiso 1 1 calc R . . . .
C032 C 1.0939(12) 0.2545(10) 0.2522(5) 0.107(3) Uani 1 1 d G U . . .
H032 H 1.112879 0.239682 0.222529 0.129 Uiso 1 1 calc R . . . .
C86 C 0.9794(13) 0.1791(12) 0.1842(5) 0.117(3) Uani 1 1 d . U . . .
C2AA C 1.0353(13) 0.1150(10) 0.1718(6) 0.118(3) Uani 1 1 d G U . . .
H2AA H 1.049365 0.073066 0.193755 0.142 Uiso 1 1 calc R . . . .
C27 C 1.0707(12) 0.1122(10) 0.1274(7) 0.121(4) Uani 1 1 d G U . . .
H27 H 1.108895 0.068428 0.119005 0.145 Uiso 1 1 calc R . . . .
C33 C 1.0501(13) 0.1735(12) 0.0954(5) 0.122(4) Uani 1 1 d G U . . .
H33 H 1.074258 0.171662 0.065016 0.147 Uiso 1 1 calc R . . . .
C58 C 0.9942(13) 0.2376(10) 0.1077(6) 0.123(4) Uani 1 1 d G U . . .
H58 H 0.980093 0.279533 0.085777 0.148 Uiso 1 1 calc R . . . .
C91 C 0.9588(12) 0.2404(10) 0.1521(7) 0.118(3) Uani 1 1 d G U . . .
H91 H 0.920562 0.284172 0.160527 0.142 Uiso 1 1 calc R . . . .
C10 C 0.7850(8) 0.2204(9) 0.4277(5) 0.116(3) Uani 1 1 d D U . . .
N17 N 0.8153(13) 0.2927(11) 0.4130(5) 0.118(3) Uani 1 1 d D U . . .
C18 C 0.8034(13) 0.1894(9) 0.4707(6) 0.115(3) Uani 1 1 d D U . . .
H18 H 0.782287 0.138185 0.481716 0.138 Uiso 1 1 calc R . . . .
C31 C 0.8835(14) 0.3062(11) 0.4812(6) 0.120(4) Uani 1 1 d D U . . .
H31 H 0.916398 0.337161 0.499914 0.144 Uiso 1 1 calc R . . . .
C32 C 0.8669(15) 0.3346(10) 0.4375(7) 0.121(4) Uani 1 1 d D U . . .
H32 H 0.891921 0.383370 0.425076 0.145 Uiso 1 1 calc R . . . .
C102 C 0.2799(10) 0.2377(9) 0.1006(5) 0.101(3) Uani 1 1 d D U . . .
H102 H 0.290227 0.189890 0.084674 0.122 Uiso 1 1 calc R . . . .
C01M C 0.3285(8) 0.2516(8) 0.1373(3) 0.100(3) Uani 1 1 d D U . . .
N02Z N 0.3141(11) 0.3165(7) 0.1599(6) 0.104(3) Uani 1 1 d D U . . .
C03N C 0.2535(12) 0.3710(10) 0.1474(6) 0.105(3) Uani 1 1 d D U . . .
H03N H 0.244348 0.417968 0.164096 0.126 Uiso 1 1 calc R . . . .
C71 C 0.2030(12) 0.3619(10) 0.1107(6) 0.104(3) Uani 1 1 d D U . . .
H71 H 0.159996 0.401808 0.101923 0.125 Uiso 1 1 calc R . . . .
C339 C 0.6641(10) 0.0859(8) 0.0875(5) 0.171(4) Uani 1 1 d D U . . .
C145 C 0.6919(15) 0.0422(13) 0.0498(7) 0.171(4) Uani 1 1 d D U . . .
H145 H 0.749302 0.047423 0.035267 0.205 Uiso 1 1 calc R . . . .
C79 C 0.5451(17) -0.0186(15) 0.0542(9) 0.174(5) Uani 1 1 d D U . . .
H79 H 0.504119 -0.053094 0.042635 0.209 Uiso 1 1 calc R . . . .
C34 C 0.5243(13) 0.0265(16) 0.0918(9) 0.175(5) Uani 1 1 d D U . . .
H34 H 0.467500 0.022707 0.107185 0.210 Uiso 1 1 calc R . . . .
N253 N 0.5828(11) 0.0743(13) 0.1061(7) 0.172(4) Uani 1 1 d D U . . .
C87 C 0.9127(9) 0.4400(7) 0.0892(4) 0.170(4) Uani 1 1 d D U . . .
N158 N 0.8820(13) 0.3895(12) 0.0608(5) 0.171(4) Uani 1 1 d D U . . .
C5AA C 0.9226(16) 0.3775(14) 0.0205(6) 0.175(5) Uani 1 1 d D U . . .
H5AA H 0.899546 0.340743 0.001085 0.210 Uiso 1 1 calc R . . . .
C98 C 0.9987(16) 0.4187(3) 0.0068(5) 0.174(5) Uani 1 1 d D U . . .
H98 H 1.026220 0.413296 -0.022610 0.209 Uiso 1 1 calc R . . . .
C0AA C 0.9905(10) 0.4793(11) 0.0774(4) 0.169(4) Uani 1 1 d D U . . .
H0AA H 1.013735 0.514500 0.097567 0.203 Uiso 1 1 calc R . . . .
C52 C 0.9608(8) 0.4728(6) 0.2917(4) 0.131(3) Uani 1 1 d D U . . .
C61 C 1.0284(10) 0.5156(12) 0.3077(5) 0.131(3) Uani 1 1 d D U . . .
H61 H 1.025426 0.531078 0.338165 0.158 Uiso 1 1 calc R . . . .
C120 C 1.1009(12) 0.5181(14) 0.2340(7) 0.134(4) Uani 1 1 d D U . . .
H120 H 1.146414 0.537673 0.213003 0.161 Uiso 1 1 calc R . . . .
C37 C 1.0345(14) 0.4718(15) 0.2202(5) 0.135(4) Uani 1 1 d D U . . .
H37 H 1.037761 0.453490 0.190263 0.162 Uiso 1 1 calc R . . . .
N12 N 0.9663(11) 0.4528(12) 0.2486(4) 0.132(3) Uani 1 1 d D U . . .
C16 C 0.6783(16) 0.5087(13) 0.4004(8) 0.086(6) Uani 1 1 d . U . . .
H16 H 0.705522 0.460879 0.389298 0.103 Uiso 1 1 calc R . . . .
C13 C 0.2171(12) 0.2933(10) 0.0874(6) 0.105(3) Uani 1 1 d D U . . .
H13 H 0.183251 0.284523 0.062241 0.126 Uiso 1 1 calc R . . . .
C90 C 0.6306(17) -0.0094(15) 0.0349(9) 0.175(5) Uani 1 1 d D U . . .
H90 H 0.648291 -0.040498 0.009824 0.210 Uiso 1 1 calc R . . . .
C6AA C 1.0335(9) 0.4672(11) 0.0364(3) 0.173(5) Uani 1 1 d D U . . .
H6AA H 1.088047 0.492616 0.028409 0.208 Uiso 1 1 calc R . . . .
C26 C 0.8521(15) 0.2333(12) 0.4971(5) 0.121(4) Uani 1 1 d D U . . .
H26 H 0.864268 0.212843 0.526863 0.145 Uiso 1 1 calc R . . . .
C100 C 1.0993(11) 0.5350(15) 0.2788(7) 0.136(4) Uani 1 1 d D U . . .
H100 H 1.148082 0.560558 0.289979 0.163 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 2.7358(10) . ?
Au01 Au03 2.7146(11) . ?
Au01 Au04 2.7049(11) . ?
Au01 Au05 2.7264(12) . ?
Au01 Au06 2.7286(10) . ?
Au01 Au07 2.7206(13) . ?
Au01 Ag08 2.7714(14) . ?
Au01 Ag09 2.7743(14) . ?
Au01 Ag0A 2.7782(13) . ?
Au01 Ag0B 2.8120(15) . ?
Au01 Ag0C 2.7934(17) . ?
Au01 Ag0D 2.7570(16) . ?
Au02 Au03 2.8399(11) . ?
Au02 Au05 2.8827(11) . ?
Au02 Ag09 2.9024(16) . ?
Au02 Ag0C 2.8781(16) . ?
Au02 Ag0D 2.9163(16) . ?
Au02 P00F 2.285(4) . ?
Au03 Ag08 2.8171(13) . ?
Au03 Ag09 2.8623(17) . ?
Au03 Ag0B 2.8807(15) . ?
Au03 Ag0C 2.9356(16) . ?
Au03 P00J 2.277(5) . ?
Au04 Au05 2.9245(11) . ?
Au04 Au06 2.8844(13) . ?
Au04 Ag08 2.8983(14) . ?
Au04 Ag0A 2.9091(16) . ?
Au04 Ag0C 2.8941(14) . ?
Au04 P00E 2.285(5) . ?
Au05 Ag0A 2.8886(15) . ?
Au05 Ag0C 2.8877(16) . ?
Au05 Ag0D 2.9131(19) . ?
Au05 P00I 2.300(5) . ?
Au06 Au07 2.8292(13) . ?
Au06 Ag08 2.9188(15) . ?
Au06 Ag0A 2.9635(16) . ?
Au06 Ag0B 2.8610(15) . ?
Au06 P00H 2.298(5) . ?
Au07 Ag09 2.8955(14) . ?
Au07 Ag0A 2.8957(17) . ?
Au07 Ag0B 2.8908(18) . ?
Au07 Ag0D 2.8629(17) . ?
Au07 P00N 2.297(7) . ?
Ag08 Ag0B 2.929(2) . ?
Ag08 Ag0C 2.9401(17) . ?
Ag08 S00L 2.399(6) . ?
Ag09 Ag0B 2.8893(17) . ?
Ag09 Ag0D 2.870(2) . ?
Ag09 S00O 2.348(8) . ?
Ag0A Ag0D 2.9404(16) . ?
Ag0A S00M 2.402(5) . ?
Ag0B S00P 2.375(10) . ?
Ag0C Cl00 2.398(5) . ?
Ag0D S1 2.386(6) . ?
P00E C017 1.842(10) . ?
P00E C018 1.842(11) . ?
P00E C02H 1.828(9) . ?
P00F C00U 1.847(10) . ?
P00F C01Y 1.805(11) . ?
P00F C010 1.782(13) . ?
P00H C00V 1.811(12) . ?
P00H C013 1.793(12) . ?
P00H C02B 1.832(14) . ?
P00I C011 1.802(12) . ?
P00I C00X 1.77(2) . ?
P00I C02G 1.816(8) . ?
P00J C01D 1.815(11) . ?
P00J C01H 1.816(10) . ?
P00J C02D 1.828(11) . ?
S1 C52 1.793(11) . ?
S00L C01M 1.771(14) . ?
S00M C10 1.740(16) . ?
P00N C02A 1.819(13) . ?
P00N C03R 1.789(14) . ?
P00N C86 1.780(16) . ?
S00O C87 1.803(8) . ?
S00P C339 1.769(8) . ?
O00Q C00Y 1.370(17) . ?
O00Q C029 1.320(16) . ?
O00R C00S 1.390(15) . ?
O00R C036 1.367(15) . ?
C00S C01P 1.3900 . ?
C00S C00U 1.3900 . ?
C01P C02T 1.3900 . ?
C02T C113 1.3900 . ?
C113 C02V 1.3900 . ?
C02V C00U 1.3900 . ?
O00T C030 1.38(2) . ?
O00T C01O 1.37(2) . ?
C00V C02Q 1.3900 . ?
C00V C01U 1.3900 . ?
C02Q C02M 1.3900 . ?
C02M C01W 1.3900 . ?
C01W C02N 1.3900 . ?
C02N C01U 1.3900 . ?
C017 C00W 1.3900 . ?
C017 C01T 1.3900 . ?
C00W C02C 1.3900 . ?
C02C C01A 1.3900 . ?
C01A C014 1.3900 . ?
C014 C01T 1.3900 . ?
C01C C011 1.3900 . ?
C01C C02O 1.3900 . ?
C011 C01F 1.3900 . ?
C01F C03H 1.3900 . ?
C03H C035 1.3900 . ?
C035 C02O 1.3900 . ?
C01D C022 1.3900 . ?
C01D C01G 1.3900 . ?
C022 C01E 1.3900 . ?
C01E C034 1.3900 . ?
C034 C02U 1.3900 . ?
C02U C01G 1.3900 . ?
C01L C00Y 1.3900 . ?
C01L C03K 1.3900 . ?
C00Y C018 1.3900 . ?
C018 C02I 1.3900 . ?
C02I C36 1.3900 . ?
C36 C03K 1.3900 . ?
C026 C015 1.41(3) . ?
C026 C16 1.42(3) . ?
C015 C01X 1.44(3) . ?
C01X C01R 1.32(3) . ?
C01R C00X 1.48(3) . ?
C00X C16 1.33(3) . ?
C023 C01H 1.3900 . ?
C023 C02S 1.3900 . ?
C01H C01K 1.3900 . ?
C01K C01J 1.3900 . ?
C01J C019 1.3900 . ?
C019 C02S 1.3900 . ?
C028 C01Y 1.3900 . ?
C028 C01S 1.3900 . ?
C01Y C02F 1.3900 . ?
C02F C037 1.3900 . ?
C037 C02J 1.3900 . ?
C02J C01S 1.3900 . ?
C02E C00Z 1.3900 . ?
C02E C024 1.3900 . ?
C00Z C01B 1.3900 . ?
C01B C01V 1.3900 . ?
C01V C013 1.3900 . ?
C013 C024 1.3900 . ?
C02G C02W 1.3900 . ?
C02G C029 1.3900 . ?
C02W C02L 1.3900 . ?
C02L C033 1.3900 . ?
C033 C03A 1.3900 . ?
C03A C029 1.3900 . ?
C02H C020 1.3900 . ?
C02H C02X 1.3900 . ?
C020 C02P 1.3900 . ?
C02P C01I 1.3900 . ?
C01I C02K 1.3900 . ?
C02K C02X 1.3900 . ?
C036 C02R 1.3900 . ?
C036 C02D 1.3900 . ?
C02R C146 1.3900 . ?
C146 C68 1.3900 . ?
C68 C025 1.3900 . ?
C025 C02D 1.3900 . ?
C03C C02B 1.3900 . ?
C03C C1AA 1.3900 . ?
C02B C030 1.3900 . ?
C030 C03F 1.3900 . ?
C03F C03B 1.3900 . ?
C03B C1AA 1.3900 . ?
C03P C97 1.3900 . ?
C03P C038 1.3900 . ?
C97 C016 1.3900 . ?
C016 C010 1.3900 . ?
C010 C01N 1.3900 . ?
C01N C038 1.3900 . ?
C44 C50 1.3900 . ?
C44 C031 1.3900 . ?
C50 C4AA 1.3900 . ?
C4AA C01O 1.3900 . ?
C01O C02A 1.3900 . ?
C02A C031 1.3900 . ?
C03R C95 1.3900 . ?
C03R C032 1.3900 . ?
C95 C118 1.3900 . ?
C118 C7 1.3900 . ?
C7 C22 1.3900 . ?
C22 C032 1.3900 . ?
C86 C2AA 1.3900 . ?
C86 C91 1.3900 . ?
C2AA C27 1.3900 . ?
C27 C33 1.3900 . ?
C33 C58 1.3900 . ?
C58 C91 1.3900 . ?
C10 N17 1.336(8) . ?
C10 C18 1.384(8) . ?
N17 C32 1.336(8) . ?
C18 C26 1.364(8) . ?
C31 C32 1.384(8) . ?
C31 C26 1.360(8) . ?
C102 C01M 1.384(7) . ?
C102 C13 1.361(9) . ?
C01M N02Z 1.307(10) . ?
N02Z C03N 1.320(10) . ?
C03N C71 1.385(7) . ?
C71 C13 1.369(9) . ?
C339 C145 1.402(9) . ?
C339 N253 1.333(8) . ?
C145 C90 1.392(10) . ?
C79 C34 1.392(9) . ?
C79 C90 1.392(10) . ?
C34 N253 1.315(8) . ?
C87 N158 1.334(8) . ?
C87 C0AA 1.382(8) . ?
N158 C5AA 1.332(8) . ?
C5AA C98 1.386(9) . ?
C98 C6AA 1.363(8) . ?
C0AA C6AA 1.362(8) . ?
C52 C61 1.387(9) . ?
C52 N12 1.335(8) . ?
C61 C100 1.364(9) . ?
C120 C37 1.382(9) . ?
C120 C100 1.371(9) . ?
C37 N12 1.324(8) . ?

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 Ag08 114.53(4) . . ?
Au02 Au01 Ag09 63.57(4) . . ?
Au02 Au01 Ag0A 117.24(4) . . ?
Au02 Au01 Ag0B 115.38(4) . . ?
Au02 Au01 Ag0C 62.73(4) . . ?
Au02 Au01 Ag0D 64.14(4) . . ?
Au03 Au01 Au02 62.80(3) . . ?
Au03 Au01 Au05 116.98(4) . . ?
Au03 Au01 Au06 114.84(4) . . ?
Au03 Au01 Au07 116.06(4) . . ?
Au03 Au01 Ag08 61.78(3) . . ?
Au03 Au01 Ag09 62.85(4) . . ?
Au03 Au01 Ag0A 179.59(5) . . ?
Au03 Au01 Ag0B 62.80(4) . . ?
Au03 Au01 Ag0C 64.39(4) . . ?
Au03 Au01 Ag0D 115.62(4) . . ?
Au04 Au01 Au02 117.48(4) . . ?
Au04 Au01 Au03 116.30(4) . . ?
Au04 Au01 Au05 65.15(3) . . ?
Au04 Au01 Au06 64.13(3) . . ?
Au04 Au01 Au07 116.25(3) . . ?
Au04 Au01 Ag08 63.89(4) . . ?
Au04 Au01 Ag09 178.37(4) . . ?
Au04 Au01 Ag0A 64.07(4) . . ?
Au04 Au01 Ag0B 116.12(4) . . ?
Au04 Au01 Ag0C 63.50(4) . . ?
Au04 Au01 Ag0D 118.97(4) . . ?
Au05 Au01 Au02 63.71(3) . . ?
Au05 Au01 Au06 118.76(3) . . ?
Au05 Au01 Ag08 117.85(4) . . ?
Au05 Au01 Ag09 116.44(4) . . ?
Au05 Au01 Ag0A 63.30(4) . . ?
Au05 Au01 Ag0B 178.71(4) . . ?
Au05 Au01 Ag0C 63.07(4) . . ?
Au05 Au01 Ag0D 64.18(4) . . ?
Au06 Au01 Au02 177.46(4) . . ?
Au06 Au01 Ag08 64.10(3) . . ?
Au06 Au01 Ag09 114.78(4) . . ?
Au06 Au01 Ag0A 65.11(4) . . ?
Au06 Au01 Ag0B 62.16(3) . . ?
Au06 Au01 Ag0C 117.48(4) . . ?
Au06 Au01 Ag0D 117.13(4) . . ?
Au07 Au01 Au02 117.26(4) . . ?
Au07 Au01 Au05 116.46(4) . . ?
Au07 Au01 Au06 62.56(3) . . ?
Au07 Au01 Ag08 116.53(4) . . ?
Au07 Au01 Ag09 63.59(4) . . ?
Au07 Au01 Ag0A 63.54(4) . . ?
Au07 Au01 Ag0B 62.97(4) . . ?
Au07 Au01 Ag0C 179.52(4) . . ?
Au07 Au01 Ag0D 63.02(4) . . ?
Ag08 Au01 Ag09 114.61(4) . . ?
Ag08 Au01 Ag0A 118.42(4) . . ?
Ag08 Au01 Ag0B 63.27(4) . . ?
Ag08 Au01 Ag0C 63.78(4) . . ?
Ag09 Au01 Ag0A 116.78(5) . . ?
Ag09 Au01 Ag0B 62.29(4) . . ?
Ag09 Au01 Ag0C 116.68(4) . . ?
Ag0A Au01 Ag0B 116.92(5) . . ?
Ag0A Au01 Ag0C 116.01(5) . . ?
Ag0C Au01 Ag0B 117.49(5) . . ?
Ag0D Au01 Ag08 177.10(4) . . ?
Ag0D Au01 Ag09 62.52(4) . . ?
Ag0D Au01 Ag0A 64.17(4) . . ?
Ag0D Au01 Ag0B 114.68(5) . . ?
Ag0D Au01 Ag0C 116.69(5) . . ?
Au01 Au02 Au03 58.23(3) . . ?
Au01 Au02 Au05 57.99(3) . . ?
Au01 Au02 Ag09 58.86(3) . . ?
Au01 Au02 Ag0C 59.62(4) . . ?
Au01 Au02 Ag0D 58.29(3) . . ?
Au03 Au02 Au05 108.31(3) . . ?
Au03 Au02 Ag09 59.78(4) . . ?
Au03 Au02 Ag0C 61.78(4) . . ?
Au03 Au02 Ag0D 107.10(4) . . ?
Au05 Au02 Ag09 107.86(4) . . ?
Au05 Au02 Ag0D 60.31(4) . . ?
Ag09 Au02 Ag0D 59.12(4) . . ?
Ag0C Au02 Au05 60.17(3) . . ?
Ag0C Au02 Ag09 110.13(4) . . ?
Ag0C Au02 Ag0D 109.25(4) . . ?
P00F Au02 Au01 178.24(15) . . ?
P00F Au02 Au03 121.74(13) . . ?
P00F Au02 Au05 123.01(13) . . ?
P00F Au02 Ag09 119.46(14) . . ?
P00F Au02 Ag0C 122.07(15) . . ?
P00F Au02 Ag0D 120.63(14) . . ?
Au01 Au03 Au02 58.96(3) . . ?
Au01 Au03 Ag08 60.10(3) . . ?
Au01 Au03 Ag09 59.59(3) . . ?
Au01 Au03 Ag0B 60.25(4) . . ?
Au01 Au03 Ag0C 59.10(4) . . ?
Au02 Au03 Ag09 61.19(4) . . ?
Au02 Au03 Ag0B 110.10(4) . . ?
Au02 Au03 Ag0C 59.75(4) . . ?
Ag08 Au03 Au02 109.95(4) . . ?
Ag08 Au03 Ag09 110.53(4) . . ?
Ag08 Au03 Ag0B 61.85(4) . . ?
Ag08 Au03 Ag0C 61.43(4) . . ?
Ag09 Au03 Ag0B 60.41(4) . . ?
Ag09 Au03 Ag0C 109.64(5) . . ?
Ag0B Au03 Ag0C 110.95(4) . . ?
P00J Au03 Au01 176.74(15) . . ?
P00J Au03 Au02 120.23(12) . . ?
P00J Au03 Ag08 122.36(13) . . ?
P00J Au03 Ag09 117.15(15) . . ?
P00J Au03 Ag0B 118.44(14) . . ?
P00J Au03 Ag0C 123.63(15) . . ?
Au01 Au04 Au05 57.78(3) . . ?
Au01 Au04 Au06 58.34(3) . . ?
Au01 Au04 Ag08 59.17(3) . . ?
Au01 Au04 Ag0A 59.19(3) . . ?
Au01 Au04 Ag0C 59.74(4) . . ?
Au06 Au04 Au05 107.83(4) . . ?
Au06 Au04 Ag08 60.63(4) . . ?
Au06 Au04 Ag0A 61.53(4) . . ?
Au06 Au04 Ag0C 109.55(4) . . ?
Ag08 Au04 Au05 107.94(3) . . ?
Ag08 Au04 Ag0A 110.35(5) . . ?
Ag0A Au04 Au05 59.36(3) . . ?
Ag0C Au04 Au05 59.51(3) . . ?
Ag0C Au04 Ag08 61.01(4) . . ?
Ag0C Au04 Ag0A 109.02(4) . . ?
P00E Au04 Au01 178.14(13) . . ?
P00E Au04 Au05 122.45(12) . . ?
P00E Au04 Au06 120.38(12) . . ?
P00E Au04 Ag08 121.73(13) . . ?
P00E Au04 Ag0A 119.14(13) . . ?
P00E Au04 Ag0C 122.08(13) . . ?
Au01 Au05 Au02 58.31(3) . . ?
Au01 Au05 Au04 57.07(3) . . ?
Au01 Au05 Ag0A 59.23(3) . . ?
Au01 Au05 Ag0C 59.60(4) . . ?
Au01 Au05 Ag0D 58.42(4) . . ?
Au02 Au05 Au04 106.43(3) . . ?
Au02 Au05 Ag0A 109.31(4) . . ?
Au02 Au05 Ag0C 59.84(4) . . ?
Au02 Au05 Ag0D 60.42(4) . . ?
Ag0A Au05 Au04 60.06(3) . . ?
Ag0A Au05 Ag0D 60.90(4) . . ?
Ag0C Au05 Au04 59.72(3) . . ?
Ag0C Au05 Ag0A 109.78(4) . . ?
Ag0C Au05 Ag0D 109.07(5) . . ?
Ag0D Au05 Au04 107.43(4) . . ?
P00I Au05 Au01 174.85(13) . . ?
P00I Au05 Au02 126.41(11) . . ?
P00I Au05 Au04 120.28(13) . . ?
P00I Au05 Ag0A 115.72(14) . . ?
P00I Au05 Ag0C 123.77(17) . . ?
P00I Au05 Ag0D 120.94(16) . . ?
Au01 Au06 Au04 57.54(3) . . ?
Au01 Au06 Au07 58.58(3) . . ?
Au01 Au06 Ag08 58.66(3) . . ?
Au01 Au06 Ag0A 58.25(3) . . ?
Au01 Au06 Ag0B 60.35(3) . . ?
Au04 Au06 Ag08 59.92(3) . . ?
Au04 Au06 Ag0A 59.65(4) . . ?
Au07 Au06 Au04 107.49(4) . . ?
Au07 Au06 Ag08 108.70(4) . . ?
Au07 Au06 Ag0A 59.93(4) . . ?
Au07 Au06 Ag0B 61.06(4) . . ?
Ag08 Au06 Ag0A 108.28(4) . . ?
Ag0B Au06 Au04 109.16(4) . . ?
Ag0B Au06 Ag08 60.88(4) . . ?
Ag0B Au06 Ag0A 109.75(4) . . ?
P00H Au06 Au01 176.57(16) . . ?
P00H Au06 Au04 124.64(14) . . ?
P00H Au06 Au07 121.12(15) . . ?
P00H Au06 Ag08 119.48(17) . . ?
P00H Au06 Ag0A 124.92(17) . . ?
P00H Au06 Ag0B 116.31(16) . . ?
Au01 Au07 Au06 58.86(3) . . ?
Au01 Au07 Ag09 59.11(4) . . ?
Au01 Au07 Ag0A 59.20(4) . . ?
Au01 Au07 Ag0B 60.06(4) . . ?
Au01 Au07 Ag0D 59.11(4) . . ?
Au06 Au07 Ag09 108.13(4) . . ?
Au06 Au07 Ag0A 62.34(4) . . ?
Au06 Au07 Ag0B 60.01(4) . . ?
Au06 Au07 Ag0D 110.62(5) . . ?
Ag09 Au07 Ag0A 109.48(5) . . ?
Ag0B Au07 Ag09 59.91(4) . . ?
Ag0B Au07 Ag0A 110.85(5) . . ?
Ag0D Au07 Ag09 59.80(4) . . ?
Ag0D Au07 Ag0A 61.41(4) . . ?
Ag0D Au07 Ag0B 109.15(5) . . ?
P00N Au07 Au01 178.2(2) . . ?
P00N Au07 Au06 120.22(16) . . ?
P00N Au07 Ag09 120.60(16) . . ?
P00N Au07 Ag0A 122.08(19) . . ?
P00N Au07 Ag0B 118.1(2) . . ?
P00N Au07 Ag0D 122.51(19) . . ?
Au01 Ag08 Au03 58.12(3) . . ?
Au01 Ag08 Au04 56.94(3) . . ?
Au01 Ag08 Au06 57.24(3) . . ?
Au01 Ag08 Ag0B 59.04(4) . . ?
Au01 Ag08 Ag0C 58.47(4) . . ?
Au03 Ag08 Au04 107.30(4) . . ?
Au03 Ag08 Au06 106.17(5) . . ?
Au03 Ag08 Ag0B 60.14(4) . . ?
Au03 Ag08 Ag0C 61.27(4) . . ?
Au04 Ag08 Au06 59.45(3) . . ?
Au04 Ag08 Ag0B 106.93(5) . . ?
Au04 Ag08 Ag0C 59.43(4) . . ?
Au06 Ag08 Ag0B 58.58(4) . . ?
Au06 Ag08 Ag0C 107.35(5) . . ?
Ag0B Ag08 Ag0C 109.47(5) . . ?
S00L Ag08 Au01 170.39(17) . . ?
S00L Ag08 Au03 113.65(15) . . ?
S00L Ag08 Au04 132.66(17) . . ?
S00L Ag08 Au06 125.53(15) . . ?
S00L Ag08 Ag0B 113.38(18) . . ?
S00L Ag08 Ag0C 123.69(17) . . ?
Au01 Ag09 Au02 57.57(3) . . ?
Au01 Ag09 Au03 57.56(3) . . ?
Au01 Ag09 Au07 57.30(3) . . ?
Au01 Ag09 Ag0B 59.50(4) . . ?
Au01 Ag09 Ag0D 58.44(4) . . ?
Au03 Ag09 Au02 59.02(4) . . ?
Au03 Ag09 Au07 106.41(4) . . ?
Au03 Ag09 Ag0B 60.11(4) . . ?
Au03 Ag09 Ag0D 107.75(5) . . ?
Au07 Ag09 Au02 106.94(5) . . ?
Ag0B Ag09 Au02 108.11(5) . . ?
Ag0B Ag09 Au07 59.96(4) . . ?
Ag0D Ag09 Au02 60.68(4) . . ?
Ag0D Ag09 Au07 59.54(4) . . ?
Ag0D Ag09 Ag0B 108.98(5) . . ?
S00O Ag09 Au01 175.9(2) . . ?
S00O Ag09 Au02 121.3(3) . . ?
S00O Ag09 Au03 118.3(2) . . ?
S00O Ag09 Au07 125.8(3) . . ?
S00O Ag09 Ag0B 118.9(3) . . ?
S00O Ag09 Ag0D 125.1(3) . . ?
Au01 Ag0A Au04 56.74(3) . . ?
Au01 Ag0A Au05 57.48(3) . . ?
Au01 Ag0A Au06 56.64(3) . . ?
Au01 Ag0A Au07 57.26(4) . . ?
Au01 Ag0A Ag0D 57.56(4) . . ?
Au04 Ag0A Au06 58.83(3) . . ?
Au04 Ag0A Ag0D 107.11(5) . . ?
Au05 Ag0A Au04 60.58(4) . . ?
Au05 Ag0A Au06 106.67(4) . . ?
Au05 Ag0A Au07 106.38(4) . . ?
Au05 Ag0A Ag0D 59.96(4) . . ?
Au07 Ag0A Au04 105.07(5) . . ?
Au07 Ag0A Au06 57.73(4) . . ?
Au07 Ag0A Ag0D 58.75(4) . . ?
Ag0D Ag0A Au06 104.89(5) . . ?
S00M Ag0A Au01 174.76(18) . . ?
S00M Ag0A Au04 118.24(19) . . ?
S00M Ag0A Au05 122.48(19) . . ?
S00M Ag0A Au06 120.23(17) . . ?
S00M Ag0A Au07 125.6(2) . . ?
S00M Ag0A Ag0D 127.46(17) . . ?
Au01 Ag0B Au03 56.95(3) . . ?
Au01 Ag0B Au06 57.49(3) . . ?
Au01 Ag0B Au07 56.97(4) . . ?
Au01 Ag0B Ag08 57.69(4) . . ?
Au01 Ag0B Ag09 58.22(4) . . ?
Au03 Ag0B Au07 106.05(5) . . ?
Au03 Ag0B Ag08 58.01(4) . . ?
Au03 Ag0B Ag09 59.48(4) . . ?
Au06 Ag0B Au03 106.03(5) . . ?
Au06 Ag0B Au07 58.93(4) . . ?
Au06 Ag0B Ag08 60.53(4) . . ?
Au06 Ag0B Ag09 107.44(5) . . ?
Au07 Ag0B Ag08 106.76(5) . . ?
Ag09 Ag0B Au07 60.12(4) . . ?
Ag09 Ag0B Ag08 106.68(5) . . ?
S00P Ag0B Au01 168.6(3) . . ?
S00P Ag0B Au03 132.2(3) . . ?
S00P Ag0B Au06 111.1(3) . . ?
S00P Ag0B Au07 118.4(3) . . ?
S00P Ag0B Ag08 118.9(3) . . ?
S00P Ag0B Ag09 130.4(3) . . ?
Au01 Ag0C Au02 57.66(4) . . ?
Au01 Ag0C Au03 56.50(4) . . ?
Au01 Ag0C Au04 56.76(3) . . ?
Au01 Ag0C Au05 57.33(4) . . ?
Au01 Ag0C Ag08 57.74(4) . . ?
Au02 Ag0C Au03 58.47(4) . . ?
Au02 Ag0C Au04 107.36(5) . . ?
Au02 Ag0C Au05 59.99(4) . . ?
Au02 Ag0C Ag08 105.53(5) . . ?
Au03 Ag0C Ag08 57.30(4) . . ?
Au04 Ag0C Au03 104.31(5) . . ?
Au04 Ag0C Ag08 59.57(4) . . ?
Au05 Ag0C Au03 105.60(5) . . ?
Au05 Ag0C Au04 60.77(3) . . ?
Au05 Ag0C Ag08 107.80(5) . . ?
Cl00 Ag0C Au01 174.96(13) . . ?
Cl00 Ag0C Au02 117.48(13) . . ?
Cl00 Ag0C Au03 120.54(13) . . ?
Cl00 Ag0C Au04 128.04(13) . . ?
Cl00 Ag0C Au05 122.39(13) . . ?
Cl00 Ag0C Ag08 125.05(14) . . ?
Au01 Ag0D Au02 57.58(3) . . ?
Au01 Ag0D Au05 57.40(4) . . ?
Au01 Ag0D Au07 57.87(4) . . ?
Au01 Ag0D Ag09 59.03(4) . . ?
Au01 Ag0D Ag0A 58.26(4) . . ?
Au02 Ag0D Ag0A 106.99(5) . . ?
Au05 Ag0D Au02 59.27(4) . . ?
Au05 Ag0D Ag0A 59.14(4) . . ?
Au07 Ag0D Au02 107.43(5) . . ?
Au07 Ag0D Au05 106.59(5) . . ?
Au07 Ag0D Ag09 60.67(4) . . ?
Au07 Ag0D Ag0A 59.85(4) . . ?
Ag09 Ag0D Au02 60.20(4) . . ?
Ag09 Ag0D Au05 107.90(5) . . ?
Ag09 Ag0D Ag0A 108.92(5) . . ?
S1 Ag0D Au01 177.42(15) . . ?
S1 Ag0D Au02 124.73(16) . . ?
S1 Ag0D Au05 122.21(19) . . ?
S1 Ag0D Au07 120.86(18) . . ?
S1 Ag0D Ag09 122.73(18) . . ?
S1 Ag0D Ag0A 119.21(15) . . ?
C017 P00E Au04 112.7(4) . . ?
C018 P00E Au04 118.1(5) . . ?
C018 P00E C017 103.7(6) . . ?
C02H P00E Au04 114.3(5) . . ?
C02H P00E C017 106.8(6) . . ?
C02H P00E C018 99.7(6) . . ?
C00U P00F Au02 121.0(4) . . ?
C01Y P00F Au02 110.9(5) . . ?
C01Y P00F C00U 102.6(6) . . ?
C010 P00F Au02 110.6(5) . . ?
C010 P00F C00U 103.6(6) . . ?
C010 P00F C01Y 107.1(7) . . ?
C00V P00H Au06 114.5(5) . . ?
C00V P00H C02B 102.5(8) . . ?
C013 P00H Au06 108.0(5) . . ?
C013 P00H C00V 109.3(7) . . ?
C013 P00H C02B 103.9(8) . . ?
C02B P00H Au06 118.0(6) . . ?
C011 P00I Au05 116.9(5) . . ?
C011 P00I C02G 103.4(6) . . ?
C00X P00I Au05 113.4(7) . . ?
C00X P00I C011 105.5(9) . . ?
C00X P00I C02G 104.3(8) . . ?
C02G P00I Au05 112.1(5) . . ?
C01D P00J Au03 115.6(4) . . ?
C01D P00J C01H 107.7(7) . . ?
C01D P00J C02D 106.1(6) . . ?
C01H P00J Au03 110.5(5) . . ?
C01H P00J C02D 104.8(7) . . ?
C02D P00J Au03 111.4(5) . . ?
C52 S1 Ag0D 111.2(5) . . ?
C01M S00L Ag08 107.9(4) . . ?
C10 S00M Ag0A 106.9(6) . . ?
C02A P00N Au07 116.2(7) . . ?
C03R P00N Au07 112.3(7) . . ?
C03R P00N C02A 103.3(9) . . ?
C86 P00N Au07 111.6(8) . . ?
C86 P00N C02A 107.0(10) . . ?
C86 P00N C03R 105.6(10) . . ?
C87 S00O Ag09 136.2(6) . . ?
C339 S00P Ag0B 119.7(7) . . ?
C029 O00Q C00Y 118.6(12) . . ?
C036 O00R C00S 118.6(10) . . ?
C01P C00S O00R 122.5(9) . . ?
C01P C00S C00U 120.0 . . ?
C00U C00S O00R 117.4(9) . . ?
C00S C01P C02T 120.0 . . ?
C01P C02T C113 120.0 . . ?
C02T C113 C02V 120.0 . . ?
C00U C02V C113 120.0 . . ?
C00S C00U P00F 120.7(7) . . ?
C02V C00U P00F 119.1(7) . . ?
C02V C00U C00S 120.0 . . ?
C01O O00T C030 118.3(16) . . ?
C02Q C00V P00H 118.6(8) . . ?
C02Q C00V C01U 120.0 . . ?
C01U C00V P00H 121.4(8) . . ?
C00V C02Q C02M 120.0 . . ?
C02Q C02M C01W 120.0 . . ?
C02N C01W C02M 120.0 . . ?
C01W C02N C01U 120.0 . . ?
C02N C01U C00V 120.0 . . ?
C00W C017 P00E 120.9(7) . . ?
C00W C017 C01T 120.0 . . ?
C01T C017 P00E 119.1(7) . . ?
C02C C00W C017 120.0 . . ?
C00W C02C C01A 120.0 . . ?
C014 C01A C02C 120.0 . . ?
C01A C014 C01T 120.0 . . ?
C014 C01T C017 120.0 . . ?
C011 C01C C02O 120.0 . . ?
C01C C011 P00I 121.9(8) . . ?
C01C C011 C01F 120.0 . . ?
C01F C011 P00I 118.1(8) . . ?
C011 C01F C03H 120.0 . . ?
C035 C03H C01F 120.0 . . ?
C03H C035 C02O 120.0 . . ?
C035 C02O C01C 120.0 . . ?
C022 C01D P00J 119.4(7) . . ?
C022 C01D C01G 120.0 . . ?
C01G C01D P00J 120.5(7) . . ?
C01E C022 C01D 120.0 . . ?
C022 C01E C034 120.0 . . ?
C02U C034 C01E 120.0 . . ?
C034 C02U C01G 120.0 . . ?
C02U C01G C01D 120.0 . . ?
C00Y C01L C03K 120.0 . . ?
O00Q C00Y C01L 122.0(10) . . ?
O00Q C00Y C018 117.4(10) . . ?
C018 C00Y C01L 120.0 . . ?
C00Y C018 P00E 116.5(8) . . ?
C02I C018 P00E 123.2(8) . . ?
C02I C018 C00Y 120.0 . . ?
C018 C02I C36 120.0 . . ?
C03K C36 C02I 120.0 . . ?
C36 C03K C01L 120.0 . . ?
C015 C026 C16 119(3) . . ?
C026 C015 C01X 115(2) . . ?
C01R C01X C015 124(2) . . ?
C01X C01R C00X 120(2) . . ?
C01R C00X P00I 125.5(17) . . ?
C16 C00X P00I 118.4(16) . . ?
C16 C00X C01R 116.0(19) . . ?
C01H C023 C02S 120.0 . . ?
C023 C01H P00J 117.7(7) . . ?
C023 C01H C01K 120.0 . . ?
C01K C01H P00J 122.1(8) . . ?
C01J C01K C01H 120.0 . . ?
C019 C01J C01K 120.0 . . ?
C02S C019 C01J 120.0 . . ?
C019 C02S C023 120.0 . . ?
C01Y C028 C01S 120.0 . . ?
C028 C01Y P00F 116.9(8) . . ?
C02F C01Y P00F 123.0(8) . . ?
C02F C01Y C028 120.0 . . ?
C01Y C02F C037 120.0 . . ?
C02J C037 C02F 120.0 . . ?
C037 C02J C01S 120.0 . . ?
C02J C01S C028 120.0 . . ?
C00Z C02E C024 120.0 . . ?
C02E C00Z C01B 120.0 . . ?
C00Z C01B C01V 120.0 . . ?
C013 C01V C01B 120.0 . . ?
C01V C013 P00H 123.0(8) . . ?
C01V C013 C024 120.0 . . ?
C024 C013 P00H 116.9(8) . . ?
C013 C024 C02E 120.0 . . ?
C02W C02G P00I 121.7(7) . . ?
C02W C02G C029 120.0 . . ?
C029 C02G P00I 118.3(7) . . ?
C02L C02W C02G 120.0 . . ?
C02W C02L C033 120.0 . . ?
C03A C033 C02L 120.0 . . ?
C033 C03A C029 120.0 . . ?
O00Q C029 C02G 120.1(9) . . ?
O00Q C029 C03A 119.5(9) . . ?
C03A C029 C02G 120.0 . . ?
C020 C02H P00E 122.0(8) . . ?
C020 C02H C02X 120.0 . . ?
C02X C02H P00E 117.8(8) . . ?
C02P C020 C02H 120.0 . . ?
C020 C02P C01I 120.0 . . ?
C02K C01I C02P 120.0 . . ?
C01I C02K C02X 120.0 . . ?
C02K C02X C02H 120.0 . . ?
O00R C036 C02R 118.7(11) . . ?
O00R C036 C02D 121.2(11) . . ?
C02R C036 C02D 120.0 . . ?
C146 C02R C036 120.0 . . ?
C68 C146 C02R 120.0 . . ?
C146 C68 C025 120.0 . . ?
C02D C025 C68 120.0 . . ?
C036 C02D P00J 116.0(8) . . ?
C025 C02D P00J 124.0(8) . . ?
C025 C02D C036 120.0 . . ?
C02B C03C C1AA 120.0 . . ?
C03C C02B P00H 123.6(10) . . ?
C030 C02B P00H 116.4(10) . . ?
C030 C02B C03C 120.0 . . ?
O00T C030 C02B 121.3(15) . . ?
O00T C030 C03F 118.6(15) . . ?
C02B C030 C03F 120.0 . . ?
C030 C03F C03B 120.0 . . ?
C1AA C03B C03F 120.0 . . ?
C03B C1AA C03C 120.0 . . ?
C97 C03P C038 120.0 . . ?
C016 C97 C03P 120.0 . . ?
C010 C016 C97 120.0 . . ?
C016 C010 P00F 122.6(8) . . ?
C01N C010 P00F 117.3(8) . . ?
C01N C010 C016 120.0 . . ?
C010 C01N C038 120.0 . . ?
C01N C038 C03P 120.0 . . ?
C50 C44 C031 120.0 . . ?
C44 C50 C4AA 120.0 . . ?
C01O C4AA C50 120.0 . . ?
O00T C01O C4AA 123.8(15) . . ?
O00T C01O C02A 115.8(15) . . ?
C02A C01O C4AA 120.0 . . ?
C01O C02A P00N 117.3(11) . . ?
C01O C02A C031 120.0 . . ?
C031 C02A P00N 122.3(11) . . ?
C02A C031 C44 120.0 . . ?
C95 C03R P00N 116.7(11) . . ?
C95 C03R C032 120.0 . . ?
C032 C03R P00N 123.1(11) . . ?
C03R C95 C118 120.0 . . ?
C7 C118 C95 120.0 . . ?
C118 C7 C22 120.0 . . ?
C032 C22 C7 120.0 . . ?
C22 C032 C03R 120.0 . . ?
C2AA C86 P00N 117.9(12) . . ?
C2AA C86 C91 120.0 . . ?
C91 C86 P00N 122.1(12) . . ?
C27 C2AA C86 120.0 . . ?
C2AA C27 C33 120.0 . . ?
C58 C33 C27 120.0 . . ?
C33 C58 C91 120.0 . . ?
C58 C91 C86 120.0 . . ?
N17 C10 S00M 127.5(12) . . ?
N17 C10 C18 119.3(7) . . ?
C18 C10 S00M 113.2(11) . . ?
C32 N17 C10 122.3(6) . . ?
C26 C18 C10 119.2(6) . . ?
C26 C31 C32 119.2(6) . . ?
N17 C32 C31 119.3(7) . . ?
C13 C102 C01M 119.3(9) . . ?
C102 C01M S00L 115.9(9) . . ?
N02Z C01M S00L 123.1(10) . . ?
N02Z C01M C102 121.0(15) . . ?
C01M N02Z C03N 120.2(19) . . ?
N02Z C03N C71 122.2(15) . . ?
C13 C71 C03N 117.7(9) . . ?
C145 C339 S00P 118.8(8) . . ?
N253 C339 S00P 123.2(8) . . ?
N253 C339 C145 118.1(8) . . ?
C90 C145 C339 116.1(14) . . ?
C34 C79 C90 114.8(10) . . ?
N253 C34 C79 120.3(9) . . ?
C34 N253 C339 126.0(9) . . ?
N158 C87 S00O 121.9(8) . . ?
N158 C87 C0AA 119.6(7) . . ?
C0AA C87 S00O 118.5(7) . . ?
C5AA N158 C87 122.0(8) . . ?
N158 C5AA C98 119.7(8) . . ?
C6AA C98 C5AA 118.9(7) . . ?
C6AA C0AA C87 119.3(7) . . ?
C61 C52 S1 118.9(7) . . ?
N12 C52 S1 121.9(8) . . ?
N12 C52 C61 119.2(8) . . ?
C100 C61 C52 118.8(7) . . ?
C100 C120 C37 118.0(8) . . ?
N12 C37 C120 120.1(8) . . ?
C37 N12 C52 122.5(8) . . ?
C00X C16 C026 125(2) . . ?
C102 C13 C71 119.6(8) . . ?
C145 C90 C79 124.7(15) . . ?
C0AA C6AA C98 120.3(7) . . ?
C31 C26 C18 120.6(7) . . ?
C61 C100 C120 120.8(8) . . ?

_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 0.003 -0.010 1782 474 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT029_auag13-2_sq         
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.950 Why?  
RESPONSE: The slightly low value is caused by weak high-angle reflections, 
which reduces the completeness at full theta. However, the data completeness
 in the resolution range relevant for refinement is high, and refinement 
indicators (R, wR, residual electron density) are satisfactory, so the data 
quality is acceptable for this structure determination.
;
_vrf_PLAT342_auag13-2_sq         
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02145 Ang.  
RESPONSE: The modest C-C bond precision is due to the data quality
 (crystal size, diffracting power, and redundancy) rather than problems
 with the structural model.The obtained precision is sufficient for the 
discussion of connectivity and molecular geometry in this work.
;
# 
