# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_shelxl
_audit_block_doi                 10.5517/ccdc.csd.cc27pm0l
_database_code_depnum_ccdc_archive 'CCDC 2076349'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/D1CC02119B 2021
2 10.1039/D4NR01691B 2024
loop_
_audit_author_name
_audit_author_address
'Shohei Katao'
;Nara Institute of Science and Technology
Japan
;
_audit_update_record             
;
2021-04-09 deposited with the CCDC.	2024-06-26 downloaded from the CCDC.
;
_audit_creation_date             2021-04-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C132 H93 Ag29 N13 Na3 O3 S24, 1(Na)'
_chemical_formula_sum            'C132 H93 Ag29 N13 Na4 O3 S24'
_chemical_formula_weight         5898.82
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           165
_space_group_name_H-M_alt        'P -3 c 1'
_space_group_name_Hall           '-P 3 2"c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, z+1/2'
'x, x-y, z+1/2'
'-x+y, y, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'y, x, -z-1/2'
'-x, -x+y, -z-1/2'
'x-y, -y, -z-1/2'

_cell_length_a                   24.9668(12)
_cell_length_b                   24.9668(12)
_cell_length_c                   44.2740(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     23900(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    194054
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      25.4
_cell_measurement_theta_min      1.88
_shelx_estimated_absorpt_T_max   0.927
_shelx_estimated_absorpt_T_min   0.513
_exptl_absorpt_coefficient_mu    2.564
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.1964
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             11164
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1415
_diffrn_reflns_av_unetI/netI     0.0401
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_limit_l_min       -53
_diffrn_reflns_number            302702
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.349
_diffrn_reflns_theta_min         1.695
_diffrn_ambient_temperature      103.15
_diffrn_detector                 'Rigaku curved IP area detector'
_diffrn_detector_area_resol_mean 10.0
_diffrn_detector_type            'Imaging plate area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku VariMax RAPID'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  'multi-layer mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   'rotating anode X-ray generator'
_diffrn_source_type              'MicroMax 007'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10790
_reflns_number_total             14596
_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 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.484
_refine_diff_density_min         -1.456
_refine_diff_density_rms         0.329
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         14596
_refine_ls_number_restraints     33
_refine_ls_R_factor_all          0.1174
_refine_ls_R_factor_gt           0.0867
_refine_ls_restrained_S_all      1.075
_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)+(0.1748P)²+612.5325P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2944
_refine_ls_wR_factor_ref         0.3369
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C38-C39
 1.4 with sigma of 0.02
 C42A-C41A
 1.4 with sigma of 0.02
 C36-C37
 1.4 with sigma of 0.02
 C44A-C43A
 1.4 with sigma of 0.02
 N3-C35
 1.38 with sigma of 0.02
 C44-C43
 1.4 with sigma of 0.02
 C43A-C42A
 1.4 with sigma of 0.02
 N3-C39
 1.38 with sigma of 0.02
 C41A-C40A
 1.4 with sigma of 0.02
 C35-C36
 1.4 with sigma of 0.02
 C42-C41
 1.4 with sigma of 0.02
 C37-C38
 1.4 with sigma of 0.02
 N4A-C44A
 1.38 with sigma of 0.02
 C41-C40
 1.4 with sigma of 0.02
 N4A-C40A
 1.38 with sigma of 0.02
 C43-C42
 1.4 with sigma of 0.02
 N4-C40
 1.38 with sigma of 0.02
 N4-C44
 1.38 with sigma of 0.02
3. Restrained planarity
 N4, C43, C42, C40
 with sigma of 0.1
 N3, C35, C36, C37, C38, C39
 with sigma of 0.1
 N4A, C44A, C43A, C42A, C41A, C40A
 with sigma of 0.1
 N4, C44, C43, C42, C41, C40
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C41 \\sim C41A: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 1.7A
C43 \\sim C43A: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 1.7A
C44 \\sim C44A: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 1.7A
C40 \\sim C40A: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 1.7A
N4 \\sim N4A: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 1.7A
5. Others
 Sof(N4A)=Sof(C44A)=Sof(C43A)=Sof(C42A)=Sof(C41A)=Sof(C40A)=1-FVAR(1)
 Sof(N4)=Sof(C42)=Sof(C40)=Sof(C43)=Sof(C41)=Sof(C44)=FVAR(1)
 Fixed Sof: Na2(0.13333) Na3(0.2)
6.a Aromatic/amide H refined with riding coordinates:
 C17(H17), C19(H19), C5(H5), C3(H3), C4(H4), C13(H13), C9(H9), C15(H15),
 C16(H16), C7(H7), C1(H1), C11(H11), C31(H31), C23(H23), C10(H10), C22(H22),
 C32(H32), C29(H29), C27(H27), C21(H21), C25(H25), C30(H30), C28(H28), C26(H26),
  C37(H37), C35(H35), C33(H33), C34(H34), C36(H36), C38(H38), C39(H39)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag3 Ag 0.666667 0.333333 0.36255(4) 0.0403(4) Uani 1 3 d S T P . .
Ag4 Ag 0.72233(6) 0.41359(6) 0.41064(3) 0.0479(3) Uani 1 1 d . . . . .
Ag2 Ag 0.73961(5) 0.35453(6) 0.31169(3) 0.0486(3) Uani 1 1 d . . . . .
Ag5 Ag 0.666667 0.333333 0.46484(5) 0.0510(5) Uani 1 3 d S T P . .
Ag7 Ag 0.70603(6) 0.24907(6) 0.35102(3) 0.0516(3) Uani 1 1 d . . . . .
Ag6 Ag 0.57945(6) 0.21193(5) 0.37464(3) 0.0512(3) Uani 1 1 d . . . . .
Ag1 Ag 0.74917(6) 0.36174(6) 0.24026(3) 0.0553(3) Uani 1 1 d . . . . .
Ag8 Ag 0.59688(7) 0.13071(6) 0.32654(3) 0.0617(4) Uani 1 1 d . . . . .
Ag10 Ag 0.88085(7) 0.32602(9) 0.39703(3) 0.0741(5) Uani 1 1 d . . . . .
Ag11 Ag 0.77801(8) 0.23309(8) 0.43994(3) 0.0709(4) Uani 1 1 d . . . . .
Ag9 Ag 0.78777(9) 0.19341(9) 0.37466(3) 0.0742(5) Uani 1 1 d . . . . .
S3 S 0.8329(2) 0.3912(2) 0.28101(10) 0.0559(10) Uani 1 1 d . . . . .
S5 S 0.7528(2) 0.4434(2) 0.46397(10) 0.0575(10) Uani 1 1 d . . . . .
S1 S 0.7075(2) 0.2573(2) 0.21929(10) 0.0570(10) Uani 1 1 d . . . . .
S2 S 0.7111(3) 0.1606(2) 0.33039(11) 0.0673(12) Uani 1 1 d . . . . .
S7 S 0.5271(3) 0.0983(2) 0.37402(11) 0.0680(12) Uani 1 1 d . . . . .
S6 S 0.8826(3) 0.3188(3) 0.45228(12) 0.0783(15) Uani 1 1 d . . . . .
S8 S 0.7461(4) 0.1295(3) 0.42028(13) 0.0843(17) Uani 1 1 d . . . . .
S4 S 0.8961(3) 0.2605(4) 0.35984(12) 0.0839(17) Uani 1 1 d . . . . .
Na1 Na 0.7218(4) 0.2588(5) 0.15361(18) 0.081(2) Uani 1 1 d . . . . .
O1 O 0.6335(8) 0.2763(9) 0.1547(3) 0.088(4) Uani 1 1 d . . . . .
C14 C 0.8195(9) 0.4351(9) 0.4714(4) 0.060(4) Uani 1 1 d . . . . .
C17 C 0.9167(9) 0.4209(11) 0.4878(4) 0.071(5) Uani 1 1 d . . . . .
H17 H 0.951427 0.416577 0.492604 0.085 Uiso 1 1 calc R U . . .
C19 C 0.6328(10) 0.1099(9) 0.4014(4) 0.064(5) Uani 1 1 d . . . . .
H19 H 0.655139 0.143855 0.388090 0.077 Uiso 1 1 calc R U . . .
C5 C 0.7717(9) 0.1532(9) 0.2803(5) 0.064(5) Uani 1 1 d . . . . .
H5 H 0.786332 0.131958 0.292498 0.077 Uiso 1 1 calc R U . . .
C3 C 0.7675(10) 0.1920(10) 0.2329(5) 0.072(5) Uani 1 1 d . . . . .
H3 H 0.779189 0.196702 0.212259 0.086 Uiso 1 1 calc R U . . .
C6 C 0.7365(9) 0.1772(8) 0.2930(4) 0.059(4) Uani 1 1 d . . . . .
C4 C 0.7841(10) 0.1606(10) 0.2510(5) 0.070(5) Uani 1 1 d . . . . .
H4 H 0.806166 0.142381 0.242551 0.084 Uiso 1 1 calc R U . . .
C13 C 0.8264(8) 0.3892(9) 0.4591(4) 0.061(4) Uani 1 1 d . . . . .
H13 H 0.797768 0.362844 0.444273 0.073 Uiso 1 1 calc R U . . .
C9 C 0.8938(10) 0.3311(10) 0.2646(5) 0.075(6) Uani 1 1 d . . . . .
H9 H 0.894886 0.346714 0.244900 0.090 Uiso 1 1 calc R U . . .
N1 N 0.5682(11) 0.0345(8) 0.3041(5) 0.089(6) Uani 1 1 d . . . . .
C8 C 0.8632(8) 0.3416(9) 0.2886(4) 0.055(4) Uani 1 1 d . . . . .
C15 C 0.8621(9) 0.4765(10) 0.4926(4) 0.071(6) Uani 1 1 d . . . . .
H15 H 0.857705 0.509335 0.500683 0.086 Uiso 1 1 calc R U . . .
C18 C 0.8737(9) 0.3805(11) 0.4675(4) 0.069(5) Uani 1 1 d . . . . .
C16 C 0.9108(11) 0.4678(11) 0.5013(5) 0.082(6) Uani 1 1 d . . . . .
H16 H 0.939515 0.493495 0.516256 0.098 Uiso 1 1 calc R U . . .
C20 C 0.5676(12) 0.0787(9) 0.4013(5) 0.075(6) Uani 1 1 d . . . . .
C7 C 0.8669(9) 0.3250(11) 0.3169(4) 0.068(5) Uani 1 1 d . . . . .
H7 H 0.851194 0.337905 0.333172 0.081 Uiso 1 1 calc R U . . .
N5 N 0.666667 0.333333 0.1555(7) 0.088(10) Uani 1 3 d S T P A .
C2 C 0.7324(8) 0.2191(9) 0.2439(4) 0.061(4) Uani 1 1 d . . . . .
C1 C 0.7171(9) 0.2093(9) 0.2739(4) 0.061(4) Uani 1 1 d . . . . .
H1 H 0.692406 0.224862 0.282127 0.073 Uiso 1 1 calc R U . . .
C11 C 0.9240(10) 0.2762(12) 0.2995(5) 0.077(6) Uani 1 1 d . . . . .
H11 H 0.945121 0.254013 0.303096 0.093 Uiso 1 1 calc R U . . .
C31 C 0.7249(14) 0.2914(14) 0.0451(6) 0.097(8) Uani 1 1 d . . . . .
H31 H 0.745070 0.326825 0.032430 0.116 Uiso 1 1 calc R U . . .
C23 C 0.6287(14) 0.0394(12) 0.4385(5) 0.086(7) Uani 1 1 d . . . . .
H23 H 0.650063 0.024811 0.450704 0.103 Uiso 1 1 calc R U . . .
C12 C 0.8946(9) 0.2876(12) 0.3229(4) 0.076(6) Uani 1 1 d . . . . .
C10 C 0.9227(10) 0.2966(12) 0.2712(5) 0.081(6) Uani 1 1 d . . . . .
H10 H 0.942105 0.287189 0.255218 0.098 Uiso 1 1 calc R U . . .
N3 N 0.8333(10) 0.3096(10) 0.1532(4) 0.107(8) Uani 1 1 d D . . . .
C24 C 0.6637(13) 0.0925(10) 0.4200(4) 0.079(7) Uani 1 1 d . . . . .
C22 C 0.5658(14) 0.0089(11) 0.4394(5) 0.086(7) Uani 1 1 d . . . . .
H22 H 0.543658 -0.024840 0.452789 0.103 Uiso 1 1 calc R U . . .
C32 C 0.6880(16) 0.2303(14) 0.0342(6) 0.106(9) Uani 1 1 d . . . . .
H32 H 0.682932 0.224608 0.012953 0.127 Uiso 1 1 calc R U . . .
C29 C 0.6072(17) 0.0143(13) 0.2973(5) 0.103(9) Uani 1 1 d . . . . .
H29 H 0.649413 0.038417 0.302940 0.124 Uiso 1 1 calc R U . . .
C27 C 0.5286(18) -0.0731(13) 0.2741(6) 0.105(10) Uani 1 1 d . . . . .
H27 H 0.516188 -0.109674 0.262657 0.126 Uiso 1 1 calc R U . . .
N4 N 0.685(2) 0.156(2) 0.1566(9) 0.117(15) Uiso 0.60(4) 1 d D U P A 1
N2 N 0.7057(11) 0.2475(12) 0.0979(5) 0.098(7) Uani 1 1 d . . . . .
C21 C 0.5344(14) 0.0283(10) 0.4200(4) 0.086(7) Uani 1 1 d . . . . .
H21 H 0.490503 0.007028 0.419769 0.103 Uiso 1 1 calc R U . . .
C25 C 0.5073(15) -0.0029(12) 0.2944(8) 0.113(10) Uani 1 1 d . . . . .
H25 H 0.479452 0.012138 0.297575 0.136 Uiso 1 1 calc R U . . .
C30 C 0.7280(13) 0.2935(12) 0.0773(6) 0.090(7) Uani 1 1 d . . . . .
H30 H 0.749326 0.334032 0.085651 0.108 Uiso 1 1 calc R U . . .
C28 C 0.5880(19) -0.0390(12) 0.2828(7) 0.118(11) Uani 1 1 d . . . . .
H28 H 0.616336 -0.052853 0.278535 0.141 Uiso 1 1 calc R U . . .
C26 C 0.485(2) -0.0564(16) 0.2814(10) 0.17(2) Uani 1 1 d . . . . .
H26 H 0.442565 -0.082203 0.277304 0.209 Uiso 1 1 calc R U . . .
C37 C 0.9613(19) 0.3810(18) 0.1539(7) 0.146(13) Uiso 1 1 d D . . . .
H37 H 1.004599 0.409010 0.154571 0.176 Uiso 1 1 calc R U . . .
C35 C 0.8666(14) 0.3252(12) 0.1791(7) 0.122(10) Uiso 1 1 d D . . . .
H35 H 0.844293 0.311564 0.197556 0.146 Uiso 1 1 calc R U . . .
C33 C 0.6594(18) 0.1790(14) 0.0519(6) 0.125(12) Uani 1 1 d . . . . .
H33 H 0.634586 0.138376 0.044170 0.150 Uiso 1 1 calc R U . . .
C34 C 0.671(2) 0.1933(16) 0.0843(6) 0.149(17) Uani 1 1 d . . . . .
H34 H 0.650807 0.158679 0.097413 0.179 Uiso 1 1 calc R U . . .
C36 C 0.9295(14) 0.3591(15) 0.1808(9) 0.147(13) Uiso 1 1 d D . . . .
H36 H 0.950486 0.367261 0.199638 0.177 Uiso 1 1 calc R U . . .
C38 C 0.9327(18) 0.3639(19) 0.1259(9) 0.164(16) Uiso 1 1 d D . . . .
H38 H 0.955174 0.373945 0.107448 0.197 Uiso 1 1 calc R U . . .
C39 C 0.8683(18) 0.3306(19) 0.1270(8) 0.172(17) Uiso 1 1 d D . . . .
H39 H 0.846597 0.321652 0.108329 0.207 Uiso 1 1 calc R U . . .
Na2 Na 1.000000 0.000000 0.3776(17) 0.16(3) Uani 0.4 3 d S T P . .
C42 C 0.628(4) 0.030(4) 0.1335(16) 0.22(6) Uiso 0.60(4) 1 d D . P A 1
C40 C 0.622(2) 0.120(2) 0.1552(10) 0.113(15) Uiso 0.60(4) 1 d D U P A 1
C43 C 0.692(5) 0.070(3) 0.1358(14) 0.22(4) Uiso 0.60(4) 1 d D U P A 1
C41 C 0.597(2) 0.061(2) 0.1428(10) 0.103(14) Uiso 0.60(4) 1 d D U P A 1
C44 C 0.721(3) 0.131(2) 0.1473(11) 0.109(15) Uiso 0.60(4) 1 d D U P A 1
Na3 Na 0.919(4) 0.191(5) 0.4330(18) 0.17(4) Uani 0.2 1 d . . P . .
N4A N 0.7018(19) 0.1492(17) 0.1507(9) 0.054(9) Uiso 0.40(4) 1 d D U P A 2
C44A C 0.753(3) 0.150(4) 0.1383(14) 0.11(2) Uiso 0.40(4) 1 d D U P A 2
C43A C 0.738(5) 0.094(3) 0.1241(19) 0.23(5) Uiso 0.40(4) 1 d D U P A 2
C42A C 0.684(3) 0.037(4) 0.1189(15) 0.12(3) Uiso 0.40(4) 1 d D . P A 2
C41A C 0.638(2) 0.044(2) 0.1335(10) 0.054(11) Uiso 0.40(4) 1 d D U P A 2
C40A C 0.644(2) 0.0974(18) 0.1478(12) 0.100(19) Uiso 0.40(4) 1 d D U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag3 Ag4 2.7738(18) 3_665 ?
Ag3 Ag4 2.7738(18) 2_655 ?
Ag3 Ag4 2.7740(18) . ?
Ag3 Ag2 2.7757(19) . ?
Ag3 Ag2 2.7756(19) 2_655 ?
Ag3 Ag2 2.7756(19) 3_665 ?
Ag3 Ag7 2.7784(12) . ?
Ag3 Ag7 2.7784(12) 3_665 ?
Ag3 Ag7 2.7784(12) 2_655 ?
Ag3 Ag6 2.7596(12) 2_655 ?
Ag3 Ag6 2.7597(12) . ?
Ag3 Ag6 2.7596(12) 3_665 ?
Ag4 Ag4 3.080(2) 2_655 ?
Ag4 Ag4 3.080(2) 3_665 ?
Ag4 Ag5 2.987(2) . ?
Ag4 Ag7 2.8064(17) 2_655 ?
Ag4 Ag6 2.9060(17) 2_655 ?
Ag4 Ag6 2.8271(17) 3_665 ?
Ag4 Ag11 3.1660(19) 2_655 ?
Ag4 S5 2.478(4) . ?
Ag2 Ag2 2.810(2) 2_655 ?
Ag2 Ag2 2.810(2) 3_665 ?
Ag2 Ag7 2.9087(17) . ?
Ag2 Ag7 2.9884(18) 2_655 ?
Ag2 Ag6 2.9910(17) 2_655 ?
Ag2 Ag1 3.1694(18) . ?
Ag2 Ag8 3.1081(18) 2_655 ?
Ag2 S3 2.445(4) . ?
Ag5 S5 2.504(4) 2_655 ?
Ag5 S5 2.504(5) . ?
Ag5 S5 2.503(4) 3_665 ?
Ag7 Ag6 3.0018(18) . ?
Ag7 Ag6 2.8244(18) 2_655 ?
Ag7 Ag8 3.0464(19) . ?
Ag7 Ag9 3.1666(19) . ?
Ag7 S2 2.451(5) . ?
Ag6 Ag8 3.1175(19) . ?
Ag6 Ag10 3.134(2) 3_665 ?
Ag6 S7 2.459(5) . ?
Ag1 Ag1 3.139(2) 3_665 ?
Ag1 Ag1 3.139(2) 2_655 ?
Ag1 S3 2.575(5) . ?
Ag1 S1 2.474(5) 2_655 ?
Ag1 S1 2.455(5) . ?
Ag8 S3 2.587(5) 3_665 ?
Ag8 S2 2.567(6) . ?
Ag8 S7 2.588(5) . ?
Ag8 N1 2.355(18) . ?
Ag10 Ag11 3.103(2) . ?
Ag10 Ag9 3.106(3) . ?
Ag10 S7 2.561(6) 2_655 ?
Ag10 S6 2.455(5) . ?
Ag10 S4 2.482(6) . ?
Ag11 Ag9 3.104(2) . ?
Ag11 S5 2.605(5) 3_665 ?
Ag11 S6 2.471(7) . ?
Ag11 S8 2.454(6) . ?
Ag9 S2 2.571(5) . ?
Ag9 S8 2.459(6) . ?
Ag9 S4 2.454(7) . ?
S3 C8 1.776(19) . ?
S5 C14 1.81(2) . ?
S1 Na1 2.928(9) . ?
S1 C2 1.75(2) . ?
S2 C6 1.745(18) . ?
S7 C20 1.79(2) . ?
S6 C18 1.80(2) . ?
S8 C24 1.78(3) . ?
S4 C12 1.78(2) . ?
Na1 O1 2.44(2) 2_655 ?
Na1 O1 2.45(2) . ?
Na1 N5 2.816(10) . ?
Na1 N3 2.41(2) . ?
Na1 N4 2.26(5) . ?
Na1 N2 2.49(2) . ?
Na1 C40 3.09(4) . ?
Na1 N4A 2.53(4) . ?
O1 N5 1.239(19) . ?
C14 C13 1.36(3) . ?
C14 C15 1.41(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.38(3) . ?
C17 C16 1.39(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.41(3) . ?
C19 C24 1.34(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.41(3) . ?
C5 C4 1.32(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.32(3) . ?
C3 C2 1.43(3) . ?
C6 C1 1.41(3) . ?
C4 H4 0.9500 . ?
C13 H13 0.9500 . ?
C13 C18 1.36(3) . ?
C9 H9 0.9500 . ?
C9 C8 1.41(2) . ?
C9 C10 1.40(3) . ?
N1 C29 1.34(3) . ?
N1 C25 1.40(4) . ?
C8 C7 1.34(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.39(3) . ?
C16 H16 0.9500 . ?
C20 C21 1.38(3) . ?
C7 H7 0.9500 . ?
C7 C12 1.44(3) . ?
C2 C1 1.37(3) . ?
C1 H1 0.9500 . ?
C11 H11 0.9500 . ?
C11 C12 1.38(3) . ?
C11 C10 1.36(3) . ?
C31 H31 0.9500 . ?
C31 C32 1.42(4) . ?
C31 C30 1.43(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.43(3) . ?
C23 C22 1.36(4) . ?
C10 H10 0.9500 . ?
N3 C35 1.353(18) . ?
N3 C39 1.390(19) . ?
C22 H22 0.9500 . ?
C22 C21 1.40(3) . ?
C32 H32 0.9500 . ?
C32 C33 1.36(4) . ?
C29 H29 0.9500 . ?
C29 C28 1.33(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.34(5) . ?
C27 C26 1.38(5) . ?
N4 C40 1.37(2) . ?
N4 C44 1.38(2) . ?
N2 C30 1.35(3) . ?
N2 C34 1.33(4) . ?
C21 H21 0.9500 . ?
C25 H25 0.9500 . ?
C25 C26 1.30(4) . ?
C30 H30 0.9500 . ?
C28 H28 0.9500 . ?
C26 H26 0.9500 . ?
C37 H37 0.9500 . ?
C37 C36 1.387(19) . ?
C37 C38 1.386(19) . ?
C35 H35 0.9500 . ?
C35 C36 1.364(19) . ?
C33 H33 0.9500 . ?
C33 C34 1.47(4) . ?
C34 H34 0.9500 . ?
C36 H36 0.9500 . ?
C38 H38 0.9500 . ?
C38 C39 1.394(19) . ?
C39 H39 0.9500 . ?
C42 C43 1.40(2) . ?
C42 C41 1.40(2) . ?
C40 C41 1.40(2) . ?
C43 C44 1.42(2) . ?
N4A C44A 1.38(2) . ?
N4A C40A 1.38(2) . ?
C44A C43A 1.41(2) . ?
C43A C42A 1.40(2) . ?
C42A C41A 1.40(2) . ?
C41A C40A 1.41(2) . ?

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
Ag4 Ag3 Ag4 67.44(6) 3_665 2_655 ?
Ag4 Ag3 Ag4 67.44(6) 3_665 . ?
Ag4 Ag3 Ag4 67.44(6) 2_655 . ?
Ag4 Ag3 Ag2 115.45(4) 3_665 . ?
Ag4 Ag3 Ag2 115.45(4) . 2_655 ?
Ag4 Ag3 Ag2 116.17(4) . . ?
Ag4 Ag3 Ag2 175.86(6) 2_655 . ?
Ag4 Ag3 Ag2 116.17(4) 3_665 3_665 ?
Ag4 Ag3 Ag2 116.17(4) 2_655 2_655 ?
Ag4 Ag3 Ag2 115.45(4) 2_655 3_665 ?
Ag4 Ag3 Ag2 175.86(6) . 3_665 ?
Ag4 Ag3 Ag2 175.86(6) 3_665 2_655 ?
Ag4 Ag3 Ag7 60.72(4) 3_665 . ?
Ag4 Ag3 Ag7 117.60(5) 3_665 2_655 ?
Ag4 Ag3 Ag7 60.72(4) . 2_655 ?
Ag4 Ag3 Ag7 117.60(5) . 3_665 ?
Ag4 Ag3 Ag7 116.67(5) . . ?
Ag4 Ag3 Ag7 117.60(5) 2_655 . ?
Ag4 Ag3 Ag7 60.72(4) 2_655 3_665 ?
Ag4 Ag3 Ag7 116.67(5) 3_665 3_665 ?
Ag4 Ag3 Ag7 116.67(5) 2_655 2_655 ?
Ag2 Ag3 Ag2 60.83(5) 3_665 . ?
Ag2 Ag3 Ag2 60.83(5) 3_665 2_655 ?
Ag2 Ag3 Ag2 60.83(5) . 2_655 ?
Ag2 Ag3 Ag7 65.10(4) 3_665 . ?
Ag2 Ag3 Ag7 115.17(7) . 3_665 ?
Ag2 Ag3 Ag7 115.17(7) 2_655 . ?
Ag2 Ag3 Ag7 63.16(4) 3_665 3_665 ?
Ag2 Ag3 Ag7 65.10(4) . 2_655 ?
Ag2 Ag3 Ag7 63.16(4) . . ?
Ag2 Ag3 Ag7 63.16(4) 2_655 2_655 ?
Ag2 Ag3 Ag7 65.10(4) 2_655 3_665 ?
Ag2 Ag3 Ag7 115.17(7) 3_665 2_655 ?
Ag7 Ag3 Ag7 116.70(3) 2_655 3_665 ?
Ag7 Ag3 Ag7 116.70(3) . 3_665 ?
Ag7 Ag3 Ag7 116.70(3) . 2_655 ?
Ag6 Ag3 Ag4 118.67(7) 3_665 3_665 ?
Ag6 Ag3 Ag4 118.67(7) 2_655 2_655 ?
Ag6 Ag3 Ag4 118.67(7) . . ?
Ag6 Ag3 Ag4 61.45(4) 3_665 . ?
Ag6 Ag3 Ag4 61.44(4) . 2_655 ?
Ag6 Ag3 Ag4 61.45(4) 2_655 3_665 ?
Ag6 Ag3 Ag4 63.36(4) . 3_665 ?
Ag6 Ag3 Ag4 63.36(4) 2_655 . ?
Ag6 Ag3 Ag4 63.36(4) 3_665 2_655 ?
Ag6 Ag3 Ag2 116.06(5) 2_655 3_665 ?
Ag6 Ag3 Ag2 116.06(5) . 2_655 ?
Ag6 Ag3 Ag2 116.68(5) . . ?
Ag6 Ag3 Ag2 65.41(4) 2_655 . ?
Ag6 Ag3 Ag2 116.68(5) 2_655 2_655 ?
Ag6 Ag3 Ag2 65.41(4) . 3_665 ?
Ag6 Ag3 Ag2 116.68(5) 3_665 3_665 ?
Ag6 Ag3 Ag2 116.06(5) 3_665 . ?
Ag6 Ag3 Ag2 65.41(4) 3_665 2_655 ?
Ag6 Ag3 Ag7 177.65(5) 3_665 . ?
Ag6 Ag3 Ag7 177.65(5) . 2_655 ?
Ag6 Ag3 Ag7 65.64(4) . . ?
Ag6 Ag3 Ag7 61.33(4) . 3_665 ?
Ag6 Ag3 Ag7 65.64(4) 3_665 3_665 ?
Ag6 Ag3 Ag7 61.33(4) 2_655 . ?
Ag6 Ag3 Ag7 177.65(5) 2_655 3_665 ?
Ag6 Ag3 Ag7 65.64(4) 2_655 2_655 ?
Ag6 Ag3 Ag7 61.33(4) 3_665 2_655 ?
Ag6 Ag3 Ag6 116.33(3) 2_655 . ?
Ag6 Ag3 Ag6 116.33(3) 2_655 3_665 ?
Ag6 Ag3 Ag6 116.33(3) . 3_665 ?
Ag3 Ag4 Ag4 56.28(3) . 3_665 ?
Ag3 Ag4 Ag4 56.28(3) . 2_655 ?
Ag3 Ag4 Ag5 103.59(5) . . ?
Ag3 Ag4 Ag7 59.72(4) . 2_655 ?
Ag3 Ag4 Ag6 58.08(3) . 2_655 ?
Ag3 Ag4 Ag6 59.03(4) . 3_665 ?
Ag3 Ag4 Ag11 148.47(6) . 2_655 ?
Ag4 Ag4 Ag4 60.000(1) 3_665 2_655 ?
Ag4 Ag4 Ag11 154.90(4) 3_665 2_655 ?
Ag4 Ag4 Ag11 123.21(6) 2_655 2_655 ?
Ag5 Ag4 Ag4 58.96(3) . 2_655 ?
Ag5 Ag4 Ag4 58.96(3) . 3_665 ?
Ag5 Ag4 Ag11 99.80(5) . 2_655 ?
Ag7 Ag4 Ag4 106.71(4) 2_655 2_655 ?
Ag7 Ag4 Ag4 107.48(4) 2_655 3_665 ?
Ag7 Ag4 Ag5 163.29(6) 2_655 . ?
Ag7 Ag4 Ag6 63.37(4) 2_655 2_655 ?
Ag7 Ag4 Ag6 60.18(4) 2_655 3_665 ?
Ag7 Ag4 Ag11 95.51(5) 2_655 2_655 ?
Ag6 Ag4 Ag4 58.75(5) 3_665 2_655 ?
Ag6 Ag4 Ag4 105.30(4) 2_655 2_655 ?
Ag6 Ag4 Ag4 107.29(4) 3_665 3_665 ?
Ag6 Ag4 Ag4 56.27(5) 2_655 3_665 ?
Ag6 Ag4 Ag5 112.13(5) 3_665 . ?
Ag6 Ag4 Ag5 109.91(5) 2_655 . ?
Ag6 Ag4 Ag6 109.74(6) 3_665 2_655 ?
Ag6 Ag4 Ag11 92.65(5) 3_665 2_655 ?
Ag6 Ag4 Ag11 131.23(6) 2_655 2_655 ?
S5 Ag4 Ag3 156.33(12) . . ?
S5 Ag4 Ag4 101.62(11) . 3_665 ?
S5 Ag4 Ag4 107.31(11) . 2_655 ?
S5 Ag4 Ag5 53.55(11) . . ?
S5 Ag4 Ag7 143.09(12) . 2_655 ?
S5 Ag4 Ag6 130.72(13) . 3_665 ?
S5 Ag4 Ag6 119.49(13) . 2_655 ?
S5 Ag4 Ag11 53.29(11) . 2_655 ?
Ag3 Ag2 Ag2 59.58(3) . 2_655 ?
Ag3 Ag2 Ag2 59.58(3) . 3_665 ?
Ag3 Ag2 Ag7 58.46(3) . . ?
Ag3 Ag2 Ag7 57.49(3) . 2_655 ?
Ag3 Ag2 Ag6 57.03(4) . 2_655 ?
Ag3 Ag2 Ag1 147.55(6) . . ?
Ag3 Ag2 Ag8 106.81(5) . 2_655 ?
Ag2 Ag2 Ag2 60.0 3_665 2_655 ?
Ag2 Ag2 Ag7 62.97(5) 3_665 . ?
Ag2 Ag2 Ag7 107.87(4) 3_665 2_655 ?
Ag2 Ag2 Ag7 60.12(5) 2_655 2_655 ?
Ag2 Ag2 Ag7 110.12(4) 2_655 . ?
Ag2 Ag2 Ag6 108.03(4) 3_665 2_655 ?
Ag2 Ag2 Ag6 108.57(4) 2_655 2_655 ?
Ag2 Ag2 Ag1 93.90(3) 3_665 . ?
Ag2 Ag2 Ag1 91.95(3) 2_655 . ?
Ag2 Ag2 Ag8 166.31(4) 3_665 2_655 ?
Ag2 Ag2 Ag8 113.21(7) 2_655 2_655 ?
Ag7 Ag2 Ag7 106.67(6) . 2_655 ?
Ag7 Ag2 Ag6 60.27(4) 2_655 2_655 ?
Ag7 Ag2 Ag6 57.19(4) . 2_655 ?
Ag7 Ag2 Ag1 124.10(5) 2_655 . ?
Ag7 Ag2 Ag1 128.92(5) . . ?
Ag7 Ag2 Ag8 59.93(4) 2_655 2_655 ?
Ag7 Ag2 Ag8 112.62(5) . 2_655 ?
Ag6 Ag2 Ag1 155.33(5) 2_655 . ?
Ag6 Ag2 Ag8 61.44(4) 2_655 2_655 ?
Ag8 Ag2 Ag1 98.34(5) 2_655 . ?
S3 Ag2 Ag3 159.01(12) . . ?
S3 Ag2 Ag2 131.90(12) . 2_655 ?
S3 Ag2 Ag2 139.72(11) . 3_665 ?
S3 Ag2 Ag7 109.78(12) . 2_655 ?
S3 Ag2 Ag7 117.46(12) . . ?
S3 Ag2 Ag6 102.65(11) . 2_655 ?
S3 Ag2 Ag1 52.69(11) . . ?
S3 Ag2 Ag8 53.94(11) . 2_655 ?
Ag4 Ag5 Ag4 62.07(5) 3_665 . ?
Ag4 Ag5 Ag4 62.08(5) . 2_655 ?
Ag4 Ag5 Ag4 62.07(5) 3_665 2_655 ?
S5 Ag5 Ag4 52.77(11) . . ?
S5 Ag5 Ag4 103.59(12) 3_665 2_655 ?
S5 Ag5 Ag4 109.45(12) 3_665 . ?
S5 Ag5 Ag4 52.78(11) 2_655 2_655 ?
S5 Ag5 Ag4 109.45(12) 2_655 3_665 ?
S5 Ag5 Ag4 103.59(12) 2_655 . ?
S5 Ag5 Ag4 109.45(12) . 2_655 ?
S5 Ag5 Ag4 52.78(11) 3_665 3_665 ?
S5 Ag5 Ag4 103.59(12) . 3_665 ?
S5 Ag5 S5 119.977(7) 3_665 . ?
S5 Ag5 S5 119.978(7) 3_665 2_655 ?
S5 Ag5 S5 119.975(6) . 2_655 ?
Ag3 Ag7 Ag4 59.56(5) . 3_665 ?
Ag3 Ag7 Ag2 58.37(5) . . ?
Ag3 Ag7 Ag2 57.41(4) . 3_665 ?
Ag3 Ag7 Ag6 56.88(3) . . ?
Ag3 Ag7 Ag6 59.01(4) . 2_655 ?
Ag3 Ag7 Ag8 108.44(5) . . ?
Ag3 Ag7 Ag9 145.20(6) . . ?
Ag4 Ag7 Ag2 110.36(5) 3_665 . ?
Ag4 Ag7 Ag2 108.72(5) 3_665 3_665 ?
Ag4 Ag7 Ag6 60.27(4) 3_665 2_655 ?
Ag4 Ag7 Ag6 59.93(4) 3_665 . ?
Ag4 Ag7 Ag8 114.44(6) 3_665 . ?
Ag4 Ag7 Ag9 89.79(5) 3_665 . ?
Ag2 Ag7 Ag2 56.91(5) . 3_665 ?
Ag2 Ag7 Ag6 59.91(4) 3_665 . ?
Ag2 Ag7 Ag6 105.71(5) . . ?
Ag2 Ag7 Ag8 61.99(4) 3_665 . ?
Ag2 Ag7 Ag8 112.23(5) . . ?
Ag2 Ag7 Ag9 129.63(6) . . ?
Ag2 Ag7 Ag9 157.25(6) 3_665 . ?
Ag6 Ag7 Ag2 62.87(4) 2_655 . ?
Ag6 Ag7 Ag2 107.74(5) 2_655 3_665 ?
Ag6 Ag7 Ag6 107.15(6) 2_655 . ?
Ag6 Ag7 Ag8 167.44(6) 2_655 . ?
Ag6 Ag7 Ag8 62.05(5) . . ?
Ag6 Ag7 Ag9 92.75(6) 2_655 . ?
Ag6 Ag7 Ag9 124.00(6) . . ?
Ag8 Ag7 Ag9 98.75(6) . . ?
S2 Ag7 Ag3 161.43(14) . . ?
S2 Ag7 Ag4 130.72(13) . 3_665 ?
S2 Ag7 Ag2 104.64(13) . 3_665 ?
S2 Ag7 Ag2 118.10(13) . . ?
S2 Ag7 Ag6 111.86(15) . . ?
S2 Ag7 Ag6 138.09(15) . 2_655 ?
S2 Ag7 Ag8 54.38(14) . . ?
S2 Ag7 Ag9 52.61(12) . . ?
Ag3 Ag6 Ag4 59.53(5) . 2_655 ?
Ag3 Ag6 Ag4 58.56(4) . 3_665 ?
Ag3 Ag6 Ag2 57.55(5) . 3_665 ?
Ag3 Ag6 Ag7 57.48(3) . . ?
Ag3 Ag6 Ag7 59.66(4) . 3_665 ?
Ag3 Ag6 Ag8 106.96(6) . . ?
Ag3 Ag6 Ag10 146.95(6) . 3_665 ?
Ag4 Ag6 Ag4 64.97(5) 2_655 3_665 ?
Ag4 Ag6 Ag2 106.02(5) 3_665 3_665 ?
Ag4 Ag6 Ag2 107.47(5) 2_655 3_665 ?
Ag4 Ag6 Ag7 109.09(5) 2_655 . ?
Ag4 Ag6 Ag7 56.69(4) 3_665 . ?
Ag4 Ag6 Ag8 166.48(6) 2_655 . ?
Ag4 Ag6 Ag8 109.56(6) 3_665 . ?
Ag4 Ag6 Ag10 127.92(6) 3_665 3_665 ?
Ag4 Ag6 Ag10 92.26(5) 2_655 3_665 ?
Ag2 Ag6 Ag7 59.82(4) 3_665 . ?
Ag2 Ag6 Ag8 61.13(4) 3_665 . ?
Ag2 Ag6 Ag10 125.78(6) 3_665 3_665 ?
Ag7 Ag6 Ag4 111.10(5) 3_665 3_665 ?
Ag7 Ag6 Ag4 59.55(4) 3_665 2_655 ?
Ag7 Ag6 Ag2 59.94(4) 3_665 3_665 ?
Ag7 Ag6 Ag7 108.53(6) 3_665 . ?
Ag7 Ag6 Ag8 114.77(5) 3_665 . ?
Ag7 Ag6 Ag8 59.68(5) . . ?
Ag7 Ag6 Ag10 155.57(6) . 3_665 ?
Ag7 Ag6 Ag10 92.29(6) 3_665 3_665 ?
Ag8 Ag6 Ag10 100.42(5) . 3_665 ?
S7 Ag6 Ag3 159.57(14) . . ?
S7 Ag6 Ag4 117.64(14) . 3_665 ?
S7 Ag6 Ag4 139.69(13) . 2_655 ?
S7 Ag6 Ag2 109.59(13) . 3_665 ?
S7 Ag6 Ag7 102.86(14) . . ?
S7 Ag6 Ag7 130.87(14) . 3_665 ?
S7 Ag6 Ag8 53.74(13) . . ?
S7 Ag6 Ag10 52.84(14) . 3_665 ?
Ag1 Ag1 Ag2 87.85(3) 2_655 . ?
Ag1 Ag1 Ag2 86.11(3) 3_665 . ?
Ag1 Ag1 Ag1 60.0 3_665 2_655 ?
S3 Ag1 Ag2 49.04(10) . . ?
S3 Ag1 Ag1 127.94(11) . 2_655 ?
S3 Ag1 Ag1 128.38(11) . 3_665 ?
S1 Ag1 Ag2 109.71(12) . . ?
S1 Ag1 Ag2 112.86(11) 2_655 . ?
S1 Ag1 Ag1 105.56(12) . 2_655 ?
S1 Ag1 Ag1 105.07(12) 2_655 3_665 ?
S1 Ag1 Ag1 50.72(12) . 3_665 ?
S1 Ag1 Ag1 50.17(11) 2_655 2_655 ?
S1 Ag1 S3 114.89(16) . . ?
S1 Ag1 S3 114.47(16) 2_655 . ?
S1 Ag1 S1 128.6(2) . 2_655 ?
Ag2 Ag8 Ag6 57.43(4) 3_665 . ?
Ag7 Ag8 Ag2 58.09(4) . 3_665 ?
Ag7 Ag8 Ag6 58.27(4) . . ?
S3 Ag8 Ag2 49.82(10) 3_665 3_665 ?
S3 Ag8 Ag7 104.25(11) 3_665 . ?
S3 Ag8 Ag6 96.11(11) 3_665 . ?
S3 Ag8 S7 115.61(18) 3_665 . ?
S2 Ag8 Ag2 98.60(12) . 3_665 ?
S2 Ag8 Ag7 50.90(11) . . ?
S2 Ag8 Ag6 105.16(12) . . ?
S2 Ag8 S3 120.26(16) . 3_665 ?
S2 Ag8 S7 120.88(18) . . ?
S7 Ag8 Ag2 102.81(12) . 3_665 ?
S7 Ag8 Ag7 98.63(12) . . ?
S7 Ag8 Ag6 50.01(11) . . ?
N1 Ag8 Ag2 141.7(5) . 3_665 ?
N1 Ag8 Ag7 143.9(6) . . ?
N1 Ag8 Ag6 151.8(6) . . ?
N1 Ag8 S3 93.0(5) . 3_665 ?
N1 Ag8 S2 93.0(6) . . ?
N1 Ag8 S7 102.1(6) . . ?
Ag11 Ag10 Ag6 88.21(5) . 2_655 ?
Ag11 Ag10 Ag9 59.99(5) . . ?
Ag9 Ag10 Ag6 88.21(5) . 2_655 ?
S7 Ag10 Ag6 49.93(11) 2_655 2_655 ?
S7 Ag10 Ag11 132.09(12) 2_655 . ?
S7 Ag10 Ag9 127.59(13) 2_655 . ?
S6 Ag10 Ag6 112.48(14) . 2_655 ?
S6 Ag10 Ag11 51.18(16) . . ?
S6 Ag10 Ag9 105.69(18) . . ?
S6 Ag10 S7 117.9(2) . 2_655 ?
S6 Ag10 S4 126.8(2) . . ?
S4 Ag10 Ag6 113.01(13) . 2_655 ?
S4 Ag10 Ag11 104.81(18) . . ?
S4 Ag10 Ag9 50.60(17) . . ?
S4 Ag10 S7 112.1(2) . 2_655 ?
Ag10 Ag11 Ag4 86.67(5) . 3_665 ?
Ag10 Ag11 Ag9 60.06(6) . . ?
Ag9 Ag11 Ag4 84.68(5) . 3_665 ?
S5 Ag11 Ag4 49.71(10) 3_665 3_665 ?
S5 Ag11 Ag10 125.78(12) 3_665 . ?
S5 Ag11 Ag9 128.92(12) 3_665 . ?
S6 Ag11 Ag4 113.48(15) . 3_665 ?
S6 Ag11 Ag10 50.72(13) . . ?
S6 Ag11 Ag9 105.34(14) . . ?
S6 Ag11 S5 112.72(18) . 3_665 ?
S8 Ag11 Ag4 107.83(16) . 3_665 ?
S8 Ag11 Ag10 106.39(17) . . ?
S8 Ag11 Ag9 50.89(15) . . ?
S8 Ag11 S5 115.8(2) . 3_665 ?
S8 Ag11 S6 129.6(2) . . ?
Ag10 Ag9 Ag7 86.59(6) . . ?
Ag11 Ag9 Ag7 89.83(5) . . ?
Ag11 Ag9 Ag10 59.95(5) . . ?
S2 Ag9 Ag7 49.24(11) . . ?
S2 Ag9 Ag10 128.58(13) . . ?
S2 Ag9 Ag11 130.30(13) . . ?
S8 Ag9 Ag7 113.56(16) . . ?
S8 Ag9 Ag10 106.15(17) . . ?
S8 Ag9 Ag11 50.74(14) . . ?
S8 Ag9 S2 114.4(2) . . ?
S4 Ag9 Ag7 110.17(15) . . ?
S4 Ag9 Ag10 51.40(16) . . ?
S4 Ag9 Ag11 105.48(16) . . ?
S4 Ag9 S2 113.87(19) . . ?
S4 Ag9 S8 128.8(2) . . ?
Ag2 S3 Ag1 78.27(13) . . ?
Ag2 S3 Ag8 76.25(12) . 2_655 ?
Ag1 S3 Ag8 133.95(19) . 2_655 ?
C8 S3 Ag2 107.0(6) . . ?
C8 S3 Ag1 120.1(6) . . ?
C8 S3 Ag8 103.8(6) . 2_655 ?
Ag4 S5 Ag5 73.67(13) . . ?
Ag4 S5 Ag11 77.01(13) . 2_655 ?
Ag5 S5 Ag11 134.3(2) . 2_655 ?
C14 S5 Ag4 107.5(6) . . ?
C14 S5 Ag5 101.9(6) . . ?
C14 S5 Ag11 120.1(6) . 2_655 ?
Ag1 S1 Ag1 79.11(14) . 3_665 ?
Ag1 S1 Na1 112.2(3) . . ?
Ag1 S1 Na1 118.7(2) 3_665 . ?
C2 S1 Ag1 108.7(6) . 3_665 ?
C2 S1 Ag1 105.4(6) . . ?
C2 S1 Na1 123.3(6) . . ?
Ag7 S2 Ag8 74.72(14) . . ?
Ag7 S2 Ag9 78.15(15) . . ?
Ag8 S2 Ag9 133.2(2) . . ?
C6 S2 Ag7 108.4(6) . . ?
C6 S2 Ag8 103.0(7) . . ?
C6 S2 Ag9 121.5(7) . . ?
Ag6 S7 Ag8 76.25(14) . . ?
Ag6 S7 Ag10 77.24(16) . 3_665 ?
Ag10 S7 Ag8 137.8(2) 3_665 . ?
C20 S7 Ag6 105.1(7) . . ?
C20 S7 Ag8 104.4(8) . . ?
C20 S7 Ag10 113.9(8) . 3_665 ?
Ag10 S6 Ag11 78.10(16) . . ?
C18 S6 Ag10 107.3(6) . . ?
C18 S6 Ag11 107.2(7) . . ?
Ag11 S8 Ag9 78.37(19) . . ?
C24 S8 Ag11 103.4(7) . . ?
C24 S8 Ag9 109.6(6) . . ?
Ag9 S4 Ag10 78.01(17) . . ?
C12 S4 Ag10 108.7(8) . . ?
C12 S4 Ag9 106.3(7) . . ?
S1 Na1 C40 86.4(9) . . ?
O1 Na1 S1 82.4(4) . . ?
O1 Na1 S1 86.2(4) 2_655 . ?
O1 Na1 O1 52.0(9) 2_655 . ?
O1 Na1 N5 26.0(4) . . ?
O1 Na1 N5 26.0(5) 2_655 . ?
O1 Na1 N2 93.1(8) 2_655 . ?
O1 Na1 N2 86.0(7) . . ?
O1 Na1 C40 136.4(11) 2_655 . ?
O1 Na1 C40 84.4(10) . . ?
O1 Na1 N4A 170.9(11) 2_655 . ?
O1 Na1 N4A 119.0(11) . . ?
N5 Na1 S1 83.2(7) . . ?
N5 Na1 C40 110.4(10) . . ?
N3 Na1 S1 96.6(6) . . ?
N3 Na1 O1 144.0(9) . . ?
N3 Na1 O1 92.0(8) . 2_655 ?
N3 Na1 N5 118.0(7) . . ?
N3 Na1 N2 97.5(8) . . ?
N3 Na1 C40 131.5(12) . . ?
N3 Na1 N4A 96.9(12) . . ?
N4 Na1 S1 87.1(12) . . ?
N4 Na1 O1 108.1(14) . . ?
N4 Na1 O1 159.7(14) . 2_655 ?
N4 Na1 N5 134.0(13) . . ?
N4 Na1 N3 107.7(14) . . ?
N4 Na1 N2 88.8(12) . . ?
N4 Na1 C40 23.8(10) . . ?
N2 Na1 S1 165.9(7) . . ?
N2 Na1 N5 90.0(9) . . ?
N2 Na1 C40 84.4(10) . . ?
N2 Na1 N4A 83.9(11) . . ?
N4A Na1 S1 94.6(10) . . ?
N4A Na1 N5 145.0(10) . . ?
Na1 O1 Na1 171.7(9) 3_665 . ?
N5 O1 Na1 94.4(10) . 3_665 ?
N5 O1 Na1 93.6(10) . . ?
C13 C14 S5 122.5(14) . . ?
C13 C14 C15 121(2) . . ?
C15 C14 S5 116.0(17) . . ?
C18 C17 H17 119.1 . . ?
C18 C17 C16 121.8(19) . . ?
C16 C17 H17 119.1 . . ?
C20 C19 H19 119.5 . . ?
C24 C19 H19 119.5 . . ?
C24 C19 C20 121(2) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
C4 C5 C6 119.1(18) . . ?
C4 C3 H3 119.3 . . ?
C4 C3 C2 121(2) . . ?
C2 C3 H3 119.3 . . ?
C5 C6 S2 120.7(15) . . ?
C5 C6 C1 117.8(17) . . ?
C1 C6 S2 121.2(14) . . ?
C5 C4 C3 123.7(19) . . ?
C5 C4 H4 118.2 . . ?
C3 C4 H4 118.2 . . ?
C14 C13 H13 119.6 . . ?
C18 C13 C14 120.9(19) . . ?
C18 C13 H13 119.6 . . ?
C8 C9 H9 121.6 . . ?
C10 C9 H9 121.6 . . ?
C10 C9 C8 117(2) . . ?
C29 N1 Ag8 125(2) . . ?
C29 N1 C25 116(2) . . ?
C25 N1 Ag8 119.1(19) . . ?
C9 C8 S3 116.5(16) . . ?
C7 C8 S3 120.9(14) . . ?
C7 C8 C9 121.3(19) . . ?
C14 C15 H15 121.0 . . ?
C16 C15 C14 118(2) . . ?
C16 C15 H15 121.0 . . ?
C17 C18 S6 119.2(16) . . ?
C13 C18 S6 121.7(17) . . ?
C13 C18 C17 119(2) . . ?
C17 C16 C15 118.7(19) . . ?
C17 C16 H16 120.6 . . ?
C15 C16 H16 120.6 . . ?
C19 C20 S7 120.2(15) . . ?
C21 C20 S7 119(2) . . ?
C21 C20 C19 120(2) . . ?
C8 C7 H7 119.9 . . ?
C8 C7 C12 120.3(17) . . ?
C12 C7 H7 119.9 . . ?
Na1 N5 Na1 119.91(7) 2_655 3_665 ?
Na1 N5 Na1 119.91(7) . 2_655 ?
Na1 N5 Na1 119.91(7) . 3_665 ?
O1 N5 Na1 177(2) . 2_655 ?
O1 N5 Na1 177(2) 2_655 3_665 ?
O1 N5 Na1 59.5(8) . 3_665 ?
O1 N5 Na1 60.4(9) 3_665 3_665 ?
O1 N5 Na1 60.4(8) . . ?
O1 N5 Na1 59.5(9) 3_665 2_655 ?
O1 N5 Na1 60.4(8) 2_655 2_655 ?
O1 N5 Na1 177(2) 3_665 . ?
O1 N5 Na1 59.6(8) 2_655 . ?
O1 N5 O1 119.91(19) 2_655 3_665 ?
O1 N5 O1 119.91(19) . 3_665 ?
O1 N5 O1 119.92(19) 2_655 . ?
C3 C2 S1 121.0(15) . . ?
C1 C2 S1 123.7(14) . . ?
C1 C2 C3 115.2(19) . . ?
C6 C1 H1 118.7 . . ?
C2 C1 C6 122.7(17) . . ?
C2 C1 H1 118.7 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120(2) . . ?
C32 C31 H31 124.0 . . ?
C32 C31 C30 112(3) . . ?
C30 C31 H31 124.0 . . ?
C24 C23 H23 118.8 . . ?
C22 C23 H23 118.8 . . ?
C22 C23 C24 122(2) . . ?
C7 C12 S4 121.6(14) . . ?
C11 C12 S4 120.0(18) . . ?
C11 C12 C7 118(2) . . ?
C9 C10 H10 118.7 . . ?
C11 C10 C9 123(2) . . ?
C11 C10 H10 118.7 . . ?
C35 N3 Na1 121.7(18) . . ?
C35 N3 C39 115(3) . . ?
C39 N3 Na1 123(2) . . ?
C19 C24 S8 122.5(16) . . ?
C19 C24 C23 118(3) . . ?
C23 C24 S8 119.4(19) . . ?
C23 C22 H22 120.7 . . ?
C23 C22 C21 119(2) . . ?
C21 C22 H22 120.7 . . ?
C31 C32 H32 117.6 . . ?
C33 C32 C31 125(3) . . ?
C33 C32 H32 117.6 . . ?
N1 C29 H29 119.3 . . ?
C28 C29 N1 121(4) . . ?
C28 C29 H29 119.3 . . ?
C28 C27 H27 119.2 . . ?
C28 C27 C26 122(3) . . ?
C26 C27 H27 119.2 . . ?
C40 N4 Na1 115(3) . . ?
C40 N4 C44 119(5) . . ?
C44 N4 Na1 120(3) . . ?
C30 N2 Na1 126.7(19) . . ?
C34 N2 Na1 123.4(18) . . ?
C34 N2 C30 110(2) . . ?
C20 C21 C22 120(3) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
N1 C25 H25 117.2 . . ?
C26 C25 N1 126(3) . . ?
C26 C25 H25 117.2 . . ?
C31 C30 H30 114.7 . . ?
N2 C30 C31 131(3) . . ?
N2 C30 H30 114.7 . . ?
C29 C28 C27 120(4) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C27 C26 H26 122.4 . . ?
C25 C26 C27 115(4) . . ?
C25 C26 H26 122.4 . . ?
C36 C37 H37 118.6 . . ?
C38 C37 H37 118.6 . . ?
C38 C37 C36 123(4) . . ?
N3 C35 H35 117.4 . . ?
N3 C35 C36 125(3) . . ?
C36 C35 H35 117.4 . . ?
C32 C33 H33 123.6 . . ?
C32 C33 C34 113(3) . . ?
C34 C33 H33 123.6 . . ?
N2 C34 C33 130(3) . . ?
N2 C34 H34 115.2 . . ?
C33 C34 H34 115.2 . . ?
C37 C36 H36 121.6 . . ?
C35 C36 C37 117(4) . . ?
C35 C36 H36 121.6 . . ?
C37 C38 H38 122.7 . . ?
C37 C38 C39 115(4) . . ?
C39 C38 H38 122.7 . . ?
N3 C39 C38 125(4) . . ?
N3 C39 H39 117.5 . . ?
C38 C39 H39 117.5 . . ?
C43 C42 C41 109(9) . . ?
N4 C40 Na1 42(2) . . ?
N4 C40 C41 117(5) . . ?
C41 C40 Na1 148(3) . . ?
C42 C43 C44 125(9) . . ?
C40 C41 C42 129(6) . . ?
N4 C44 C43 120(6) . . ?
C44A N4A Na1 109(4) . . ?
C40A N4A Na1 125(3) . . ?
C40A N4A C44A 120(5) . . ?
N4A C44A C43A 112(8) . . ?
C42A C43A C44A 136(10) . . ?
C41A C42A C43A 103(8) . . ?
C42A C41A C40A 128(5) . . ?
N4A C40A C41A 120(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag4 S5 C14 C13 -36.1(16) . . . . ?
Ag4 S5 C14 C15 148.3(13) . . . . ?
Ag2 S3 C8 C9 147.7(14) . . . . ?
Ag2 S3 C8 C7 -44.5(17) . . . . ?
Ag5 S5 C14 C13 40.3(16) . . . . ?
Ag5 S5 C14 C15 -135.3(13) . . . . ?
Ag7 S2 C6 C5 148.7(15) . . . . ?
Ag7 S2 C6 C1 -38.0(18) . . . . ?
Ag6 S7 C20 C19 -46.8(17) . . . . ?
Ag6 S7 C20 C21 140.0(16) . . . . ?
Ag1 S3 C8 C9 61.7(16) . . . . ?
Ag1 S3 C8 C7 -130.5(15) . . . . ?
Ag1 S1 C2 C3 -123.6(15) . . . . ?
Ag1 S1 C2 C3 152.9(15) 3_665 . . . ?
Ag1 S1 C2 C1 -22.8(19) 3_665 . . . ?
Ag1 S1 C2 C1 60.6(18) . . . . ?
Ag8 S3 C8 C9 -132.7(14) 2_655 . . . ?
Ag8 S3 C8 C7 35.1(17) 2_655 . . . ?
Ag8 S2 C6 C5 -133.3(16) . . . . ?
Ag8 S2 C6 C1 40.0(17) . . . . ?
Ag8 S7 C20 C19 32.6(17) . . . . ?
Ag8 S7 C20 C21 -140.7(16) . . . . ?
Ag8 N1 C29 C28 -175.4(18) . . . . ?
Ag8 N1 C25 C26 179(3) . . . . ?
Ag10 S7 C20 C19 -129.3(14) 3_665 . . . ?
Ag10 S7 C20 C21 57.4(18) 3_665 . . . ?
Ag10 S6 C18 C17 -125.7(15) . . . . ?
Ag10 S6 C18 C13 52.7(17) . . . . ?
Ag10 S4 C12 C7 -20(2) . . . . ?
Ag10 S4 C12 C11 155.6(17) . . . . ?
Ag11 S5 C14 C13 -121.0(14) 2_655 . . . ?
Ag11 S5 C14 C15 63.5(15) 2_655 . . . ?
Ag11 S6 C18 C17 151.8(14) . . . . ?
Ag11 S6 C18 C13 -29.8(17) . . . . ?
Ag11 S8 C24 C19 67.7(16) . . . . ?
Ag11 S8 C24 C23 -117.2(16) . . . . ?
Ag9 S2 C6 C5 61.6(18) . . . . ?
Ag9 S2 C6 C1 -125.1(15) . . . . ?
Ag9 S8 C24 C19 -14.5(18) . . . . ?
Ag9 S8 C24 C23 160.6(14) . . . . ?
Ag9 S4 C12 C7 62.4(19) . . . . ?
Ag9 S4 C12 C11 -121.8(17) . . . . ?
S3 C8 C7 C12 -176.6(16) . . . . ?
S5 C14 C13 C18 -173.1(14) . . . . ?
S5 C14 C15 C16 173.6(16) . . . . ?
S1 C2 C1 C6 178.5(15) . . . . ?
S2 C6 C1 C2 -175.1(16) . . . . ?
S7 C20 C21 C22 173.9(17) . . . . ?
Na1 S1 C2 C3 7(2) . . . . ?
Na1 S1 C2 C1 -168.8(14) . . . . ?
Na1 O1 N5 Na1 178.0(9) . . . 3_665 ?
Na1 O1 N5 Na1 -178.0(9) 3_665 . . . ?
Na1 O1 N5 O1 176(3) . . . 3_665 ?
Na1 O1 N5 O1 2(3) . . . 2_655 ?
Na1 O1 N5 O1 -2(3) 3_665 . . 3_665 ?
Na1 O1 N5 O1 -176(3) 3_665 . . 2_655 ?
Na1 N3 C35 C36 -173.4(19) . . . . ?
Na1 N3 C39 C38 175(3) . . . . ?
Na1 N4 C40 C41 150(3) . . . . ?
Na1 N4 C44 C43 -151(3) . . . . ?
Na1 N2 C30 C31 175(2) . . . . ?
Na1 N2 C34 C33 -177(4) . . . . ?
Na1 C40 C41 C42 45(9) . . . . ?
Na1 N4A C44A C43A -154(2) . . . . ?
Na1 N4A C40A C41A 152(4) . . . . ?
C14 C13 C18 S6 178.2(14) . . . . ?
C14 C13 C18 C17 -3(3) . . . . ?
C14 C15 C16 C17 3(3) . . . . ?
C19 C20 C21 C22 1(3) . . . . ?
C5 C6 C1 C2 -2(3) . . . . ?
C3 C2 C1 C6 3(3) . . . . ?
C6 C5 C4 C3 3(3) . . . . ?
C4 C5 C6 S2 172.3(16) . . . . ?
C4 C5 C6 C1 -1(3) . . . . ?
C4 C3 C2 S1 -176.8(17) . . . . ?
C4 C3 C2 C1 -1(3) . . . . ?
C13 C14 C15 C16 -2(3) . . . . ?
C9 C8 C7 C12 -9(3) . . . . ?
N1 C29 C28 C27 1(4) . . . . ?
N1 C25 C26 C27 -7(6) . . . . ?
C8 C9 C10 C11 -3(3) . . . . ?
C8 C7 C12 S4 -176.0(16) . . . . ?
C8 C7 C12 C11 8(3) . . . . ?
C15 C14 C13 C18 2(3) . . . . ?
C18 C17 C16 C15 -4(3) . . . . ?
C16 C17 C18 S6 -177.1(17) . . . . ?
C16 C17 C18 C13 4(3) . . . . ?
C20 C19 C24 S8 178.4(14) . . . . ?
C20 C19 C24 C23 3(3) . . . . ?
C2 C3 C4 C5 -2(3) . . . . ?
C31 C32 C33 C34 -1(6) . . . . ?
C23 C22 C21 C20 -2(3) . . . . ?
C12 C11 C10 C9 2(4) . . . . ?
C10 C9 C8 S3 174.4(16) . . . . ?
C10 C9 C8 C7 7(3) . . . . ?
C10 C11 C12 S4 179.7(18) . . . . ?
C10 C11 C12 C7 -4(3) . . . . ?
N3 C35 C36 C37 3(2) . . . . ?
C24 C19 C20 S7 -174.7(15) . . . . ?
C24 C19 C20 C21 -1(3) . . . . ?
C24 C23 C22 C21 4(4) . . . . ?
C22 C23 C24 S8 -179.8(18) . . . . ?
C22 C23 C24 C19 -5(3) . . . . ?
C32 C31 C30 N2 5(5) . . . . ?
C32 C33 C34 N2 -2(7) . . . . ?
C29 N1 C25 C26 5(5) . . . . ?
N4 C40 C41 C42 6(7) . . . . ?
C25 N1 C29 C28 -1(4) . . . . ?
C30 C31 C32 C33 -1(5) . . . . ?
C30 N2 C34 C33 5(6) . . . . ?
C28 C27 C26 C25 7(6) . . . . ?
C26 C27 C28 C29 -4(5) . . . . ?
C37 C38 C39 N3 -6(6) . . . . ?
C35 N3 C39 C38 2(5) . . . . ?
C34 N2 C30 C31 -7(5) . . . . ?
C36 C37 C38 C39 10(6) . . . . ?
C38 C37 C36 C35 -8(5) . . . . ?
C39 N3 C35 C36 0(2) . . . . ?
C42 C43 C44 N4 -1(2) . . . . ?
C40 N4 C44 C43 0.9(19) . . . . ?
C43 C42 C41 C40 -5(7) . . . . ?
C41 C42 C43 C44 3(4) . . . . ?
C44 N4 C40 Na1 -153(3) . . . . ?
C44 N4 C40 C41 -3(4) . . . . ?
N4A C44A C43A C42A 1(3) . . . . ?
C44A N4A C40A C41A 3(5) . . . . ?
C44A C43A C42A C41A -2(5) . . . . ?
C43A C42A C41A C40A 5(6) . . . . ?
C42A C41A C40A N4A -6(7) . . . . ?
C40A N4A C44A C43A -1(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 -0.401 8920.6 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: pyridine'
####################################################################### 
# 
# 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_Ag29_K
_database_code_depnum_ccdc_archive 'CCDC 2298942'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/D4NR01691B 2024
loop_
_audit_author_name
_audit_author_address
'Rika Tanaka' 'Osaka Metropolitan University'
_audit_update_record             
;
2023-10-03 deposited with the CCDC.	2024-06-26 downloaded from the CCDC.
;
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
_space_group_name_Hall           '-P 1'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   18.7241(2)
_cell_length_b                   25.7569(2)
_cell_length_c                   26.7364(3)
_cell_angle_alpha                75.7260(10)
_cell_angle_beta                 89.4250(10)
_cell_angle_gamma                80.7010(10)
_cell_volume                     12326
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.82988(2) 0.33754(2) 0.28917(2)
Ag2 Ag 0.70442(2) 0.38595(2) 0.23102(2)
Ag3 Ag 0.80688(2) 0.30925(2) 0.19730(2)
Ag4 Ag 0.72922(2) 0.26990(2) 0.29102(2)
Ag5 Ag 0.70939(2) 0.35808(2) 0.34568(2)
Ag6 Ag 0.77699(2) 0.44465(2) 0.29038(2)
Ag7 Ag 0.83995(2) 0.41318(2) 0.19671(2)
Ag8 Ag 0.87913(2) 0.22960(2) 0.29164(2)
Ag9 Ag 0.81615(2) 0.25899(2) 0.38017(2)
Ag10 Ag 0.84756(2) 0.36968(2) 0.37863(2)
Ag11 Ag 0.93556(2) 0.40172(2) 0.28946(2)
Ag12 Ag 0.95288(2) 0.32025(2) 0.23384(2)
Ag13 Ag 0.95899(2) 0.29018(2) 0.34341(2)
Ag14 Ag 0.63984(2) 0.43122(2) 0.12232(2)
Ag15 Ag 0.78335(2) 0.46636(2) 0.07914(2)
Ag16 Ag 0.75521(2) 0.35018(2) 0.07868(2)
Ag17 Ag 0.69421(2) 0.15662(2) 0.33178(2)
Ag18 Ag 0.85574(2) 0.10716(2) 0.33113(2)
Ag19 Ag 0.79724(2) 0.13844(2) 0.42993(2)
Ag20 Ag 0.64095(2) 0.43049(2) 0.41119(2)
Ag21 Ag 0.78918(2) 0.44349(2) 0.45269(2)
Ag22 Ag 0.71754(2) 0.53045(2) 0.35655(2)
Ag23 Ag 1.10631(2) 0.41053(2) 0.28102(2)
Ag24 Ag 1.12777(2) 0.31238(2) 0.22906(2)
Ag25 Ag 1.12901(2) 0.28959(2) 0.34778(2)
Ag26 Ag 0.57934(2) 0.33939(2) 0.28890(2)
Ag27 Ag 0.95180(3) 0.21743(2) 0.17683(2)
Ag28 Ag 0.88477(2) 0.53457(2) 0.21319(2)
Ag29 Ag 0.94232(2) 0.26432(2) 0.47501(2)
S1 S 0.62189(8) 0.36071(6) 0.07654(5)
S2 S 0.61208(7) 0.24125(6) 0.27755(5)
C1 C 0.6157(3) 0.2939(2) 0.1747(2)
H1 H 0.625892 0.323605 0.187015
C2 C 0.6097(3) 0.2993(3) 0.1219(2)
C3 C 0.5949(4) 0.2556(3) 0.1042(3)
H2 H 0.590416 0.258528 0.068231
C4 C 0.5869(4) 0.2079(3) 0.1393(3)
H3 H 0.576476 0.178233 0.127074
C5 C 0.5937(4) 0.2021(3) 0.1919(3)
H4 H 0.589122 0.168664 0.215501
C6 C 0.6072(3) 0.2462(2) 0.2098(2)
S3 S 0.82687(8) 0.25890(6) 0.13019(5)
S4 S 0.75113(9) 0.09043(6) 0.28390(7)
C7 C 0.7788(3) 0.1744(2) 0.2022(2)
H5 H 0.787357 0.193347 0.227355
C8 C 0.7877(3) 0.1984(3) 0.1500(2)
C9 C 0.7732(5) 0.1713(3) 0.1132(3)
H6 H 0.778531 0.187014 0.077569
C10 C 0.7509(5) 0.1210(3) 0.1291(3)
H7 H 0.740680 0.102690 0.103842
C11 C 0.7435(5) 0.0973(3) 0.1802(3)
H8 H 0.728504 0.062754 0.190116
C12 C 0.7580(4) 0.1240(3) 0.2181(3)
S5 S 0.66620(8) 0.13592(6) 0.42556(6)
S6 S 0.58539(7) 0.35821(6) 0.37958(5)
C13 C 0.6224(3) 0.2471(2) 0.4106(2)
H9 H 0.635800 0.249751 0.375763
C14 C 0.6308(3) 0.1960(3) 0.4452(2)
C15 C 0.6103(3) 0.1926(3) 0.4960(2)
H10 H 0.615466 0.158331 0.520293
C16 C 0.5823(4) 0.2393(3) 0.5108(2)
H11 H 0.568121 0.236688 0.545403
C17 C 0.5743(3) 0.2902(3) 0.4761(2)
H12 H 0.554947 0.322033 0.486841
C18 C 0.5951(3) 0.2935(2) 0.4254(2)
S7 S 0.83564(8) 0.21137(6) 0.47193(5)
S8 S 0.68639(8) 0.40498(6) 0.50174(6)
C19 C 0.7515(3) 0.3034(2) 0.4908(2)
H13 H 0.761663 0.321393 0.456556
C20 C 0.7751(3) 0.2481(2) 0.5084(2)
C21 C 0.7586(4) 0.2211(3) 0.5584(2)
H14 H 0.773958 0.183064 0.570844
C22 C 0.7196(4) 0.2506(3) 0.5890(2)
H15 H 0.708082 0.232326 0.622816
C23 C 0.6969(3) 0.3061(3) 0.5720(2)
H16 H 0.670449 0.325471 0.594065
C24 C 0.7128(3) 0.3335(3) 0.5223(2)
S9 S 0.58770(8) 0.52509(6) 0.36499(6)
S10 S 0.57393(7) 0.42104(6) 0.20895(5)
C25 C 0.5760(3) 0.4812(2) 0.2812(2)
H17 H 0.600831 0.448350 0.302819
C26 C 0.5612(3) 0.5264(2) 0.3008(2)
C27 C 0.5240(4) 0.5744(3) 0.2687(3)
H18 H 0.512979 0.606298 0.281039
C28 C 0.5033(4) 0.5751(3) 0.2189(3)
H19 H 0.477809 0.607653 0.197265
C29 C 0.5191(3) 0.5292(3) 0.1999(3)
H20 H 0.504493 0.530315 0.165635
C30 C 0.5564(3) 0.4815(2) 0.2313(2)
S11 S 0.76573(8) 0.54376(6) 0.26469(5)
S12 S 0.66118(8) 0.52370(6) 0.07864(5)
C31 C 0.7015(3) 0.5388(2) 0.1738(2)
H21 H 0.724101 0.501818 0.181911
C32 C 0.7065(3) 0.5692(2) 0.2086(2)
C33 C 0.6720(4) 0.6232(3) 0.1973(3)
H22 H 0.675215 0.644596 0.221259
C34 C 0.6334(4) 0.6453(3) 0.1516(3)
H23 H 0.609173 0.681809 0.144336
C35 C 0.6292(4) 0.6148(3) 0.1159(3)
H24 H 0.602690 0.630591 0.084223
C36 C 0.6639(3) 0.5611(2) 0.1263(2)
S13 S 0.94447(8) 0.15020(6) 0.26619(6)
S14 S 1.19226(7) 0.23279(6) 0.29303(5)
C37 C 1.0713(4) 0.1845(3) 0.2862(3)
H25 H 1.045410 0.220283 0.273603
C38 C 1.0354(4) 0.1408(3) 0.2901(3)
C39 C 1.0721(4) 0.0889(3) 0.3104(3)
H26 H 1.048419 0.058483 0.312871
C40 C 1.1438(4) 0.0815(3) 0.3271(3)
H27 H 1.168215 0.045953 0.342698
C41 C 1.1803(4) 0.1255(3) 0.3212(3)
H28 H 1.229954 0.119732 0.331566
C42 C 1.1442(4) 0.1775(3) 0.3002(3)
S15 S 0.90079(8) 0.06906(6) 0.42111(6)
S16 S 1.04561(7) 0.24178(6) 0.41429(5)
C43 C 0.9836(3) 0.1511(2) 0.4150(2)
H29 H 0.941639 0.175881 0.400166
C44 C 0.9811(3) 0.0959(3) 0.4283(2)
C45 C 1.0432(4) 0.0604(3) 0.4500(4)
H30 H 1.042434 0.022424 0.460241
C46 C 1.1049(5) 0.0797(3) 0.4567(5)
H31 H 1.147136 0.054896 0.471022
C47 C 1.1077(4) 0.1346(3) 0.4431(4)
H32 H 1.151303 0.147551 0.447707
C48 C 1.0456(3) 0.1706(2) 0.4227(2)
S17 S 0.89800(7) 0.36812(6) 0.46306(5)
S18 S 1.16193(7) 0.37204(6) 0.36757(5)
C49 C 1.0292(3) 0.3783(2) 0.4156(2)
H33 H 1.016827 0.354180 0.396649
C50 C 0.9797(3) 0.3957(2) 0.4498(2)
C51 C 0.9981(3) 0.4309(2) 0.4777(2)
H34 H 0.965293 0.442476 0.501593
C52 C 1.0628(3) 0.4488(2) 0.4708(2)
H35 H 1.074382 0.473427 0.489518
C53 C 1.1127(3) 0.4315(2) 0.4363(2)
H36 H 1.157761 0.444360 0.431864
C54 C 1.0961(3) 0.3955(2) 0.4085(2)
S19 S 0.80519(8) 0.53906(6) 0.42076(6)
S20 S 0.99342(7) 0.48284(5) 0.27444(5)
C55 C 0.9097(3) 0.5095(2) 0.3535(2)
H37 H 0.879486 0.485315 0.347304
C56 C 0.8897(3) 0.5400(2) 0.3886(2)
C57 C 0.9352(3) 0.5742(2) 0.3992(2)
H38 H 0.921832 0.595492 0.423249
C58 C 1.0002(3) 0.5765(3) 0.3741(2)
H39 H 1.031986 0.598759 0.382169
C59 C 1.0200(3) 0.5474(2) 0.3378(2)
H40 H 1.064353 0.550080 0.320467
C60 C 0.9737(3) 0.5139(2) 0.3269(2)
S21 S 0.87289(7) 0.49273(6) 0.13581(5)
S22 S 1.15771(7) 0.40422(6) 0.19737(5)
C61 C 1.0167(3) 0.4460(2) 0.1590(2)
H41 H 1.001081 0.430402 0.192456
C62 C 0.9657(3) 0.4760(2) 0.1214(2)
C63 C 0.9884(3) 0.4984(3) 0.0714(2)
H42 H 0.954272 0.519389 0.045117
C64 C 1.0613(4) 0.4893(3) 0.0613(2)
H43 H 1.077026 0.503547 0.027544
C65 C 1.1119(3) 0.4599(3) 0.0993(2)
H44 H 1.161771 0.454457 0.091532
C66 C 1.0900(3) 0.4382(2) 0.1490(2)
S23 S 0.83118(8) 0.40777(7) 0.02213(5)
S24 S 1.03555(7) 0.28878(6) 0.17254(5)
C67 C 0.9418(3) 0.3539(2) 0.0942(2)
H45 H 0.906056 0.353357 0.119697
C68 C 0.9222(3) 0.3788(3) 0.0429(2)
C69 C 0.9757(4) 0.3808(3) 0.0057(2)
H46 H 0.963257 0.397178 -0.029645
C70 C 1.0466(4) 0.3589(3) 0.0209(2)
H47 H 1.082975 0.361958 -0.004137
C71 C 1.0663(3) 0.3325(3) 0.0721(2)
H48 H 1.115176 0.316691 0.081728
C72 C 1.0131(3) 0.3296(2) 0.1089(2)
P1 P 0.99908(10) 0.23478(7) 0.56393(6)
C73 C 0.9599(4) 0.2699(3) 0.6120(2)
C74 C 0.9996(4) 0.2736(3) 0.6543(3)
H49 H 1.049441 0.258210 0.658738
C75 C 0.9661(4) 0.2997(3) 0.6898(3)
H50 H 0.993283 0.302139 0.718729
C76 C 0.8936(4) 0.3222(3) 0.6837(3)
H51 H 0.870976 0.339260 0.708797
C77 C 0.8543(4) 0.3200(3) 0.6415(3)
H52 H 0.804764 0.336351 0.636948
C78 C 0.8873(4) 0.2937(3) 0.6052(3)
H53 H 0.860094 0.292028 0.576002
C79 C 1.0936(4) 0.2434(3) 0.5650(2)
C80 C 1.1118(4) 0.2918(3) 0.5374(3)
H54 H 1.075363 0.319536 0.518459
C81 C 1.1830(5) 0.3004(4) 0.5370(3)
H55 H 1.194999 0.334377 0.519028
C82 C 1.2364(5) 0.2594(5) 0.5628(4)
H56 H 1.285678 0.264065 0.560442
C83 C 1.2178(6) 0.2110(4) 0.5924(5)
H57 H 1.253996 0.183693 0.612062
C84 C 1.1476(5) 0.2029(4) 0.5929(4)
H58 H 1.135312 0.169616 0.612387
C85 C 0.9972(4) 0.1634(2) 0.5953(2)
C86 C 0.9909(7) 0.1431(3) 0.6481(2)
H59 H 0.981707 0.167267 0.669991
C87 C 0.9980(7) 0.0874(3) 0.6689(2)
H60 H 0.993720 0.073474 0.704952
C88 C 1.0114(5) 0.0520(2) 0.6369(3)
H61 H 1.016320 0.013932 0.651053
C89 C 1.0177(4) 0.0724(2) 0.5841(3)
H62 H 1.026905 0.048183 0.562193
C90 C 1.0106(4) 0.1281(2) 0.56331(19)
H63 H 1.014892 0.141976 0.527230
P2 P 0.90475(10) 0.62983(7) 0.17770(6)
C91 C 1.0008(4) 0.6345(3) 0.1719(3)
C92 C 1.0460(5) 0.5925(4) 0.1588(4)
H64 H 1.026623 0.562220 0.153735
C93 C 1.1190(6) 0.5937(5) 0.1528(5)
H65 H 1.149054 0.564683 0.142986
C94 C 1.1485(7) 0.6359(6) 0.1607(5)
H66 H 1.199022 0.636235 0.157388
C95 C 1.1028(6) 0.6792(5) 0.1739(4)
H67 H 1.122460 0.709408 0.178922
C96 C 1.0303(5) 0.6783(3) 0.1797(3)
H68 H 1.000010 0.707600 0.188982
C97 C 0.8681(6) 0.6753(3) 0.2178(3)
C98 C 0.8681(5) 0.6547(4) 0.2700(3)
H69 H 0.889008 0.617962 0.284508
C99 C 0.8383(6) 0.6865(3) 0.3022(4)
H70 H 0.838183 0.670869 0.338282
C100 C 0.8093(6) 0.7391(4) 0.2834(4)
H71 H 0.792647 0.761234 0.306220
C101 C 0.8041(6) 0.7604(4) 0.2306(4)
H72 H 0.780283 0.796481 0.216385
C102 C 0.8349(6) 0.7277(4) 0.1981(4)
H73 H 0.832490 0.742437 0.161811
C103 C 0.8675(4) 0.6653(3) 0.1131(3)
C104 C 0.8941(5) 0.7087(3) 0.0813(3)
H74 H 0.936221 0.719776 0.091955
C105 C 0.8605(5) 0.7360(3) 0.0344(3)
H75 H 0.879222 0.765844 0.013263
C106 C 0.7989(5) 0.7198(4) 0.0179(3)
H76 H 0.775231 0.738725 -0.014184
C107 C 0.7733(5) 0.6766(4) 0.0484(3)
H77 H 0.732268 0.665069 0.036665
C108 C 0.8053(4) 0.6488(3) 0.0965(3)
H78 H 0.785725 0.619353 0.117676
P3 P 1.01505(13) 0.15728(8) 0.12363(7)
C109 C 1.0062(6) 0.0857(3) 0.1466(3)
C110 C 1.0590(9) 0.0438(4) 0.1446(7)
H79 H 1.103581 0.050617 0.129226
C111 C 1.0480(10) -0.0097(5) 0.1652(8)
H80 H 1.086132 -0.038807 0.164977
C112 C 0.9836(9) -0.0208(4) 0.1857(6)
H81 H 0.975602 -0.057290 0.196985
C113 C 0.9308(7) 0.0208(4) 0.1899(4)
H82 H 0.886858 0.013617 0.206227
C114 C 0.9419(5) 0.0735(3) 0.1702(3)
H83 H 0.904689 0.102427 0.172666
C115 C 1.1140(5) 0.1573(3) 0.1217(4)
C116 C 1.1544(7) 0.1480(4) 0.0792(4)
H84 H 1.132518 0.140893 0.050209
C117 C 1.2310(8) 0.1497(5) 0.0820(6)
H85 H 1.261126 0.142276 0.055017
C118 C 1.2609(8) 0.1623(6) 0.1244(7)
H86 H 1.310764 0.165562 0.124380
C119 C 1.2220(6) 0.1701(5) 0.1651(6)
H87 H 1.243595 0.177717 0.193868
C120 C 1.1477(5) 0.1663(4) 0.1634(4)
H88 H 1.119661 0.170326 0.192509
C121 C 0.9945(9) 0.1747(6) 0.0565(4)
C122 C 1.0040(10) 0.1360(5) 0.0278(5)
H89 H 1.021435 0.098990 0.044268
C123 C 0.9881(11) 0.1514(6) -0.0250(5)
H90 H 0.994614 0.124907 -0.044590
C124 C 0.9626(11) 0.2055(6) -0.0490(4)
H91 H 0.951739 0.215973 -0.085104
C125 C 0.9531(9) 0.2442(5) -0.0203(5)
H92 H 0.935685 0.281122 -0.036761
C126 C 0.9690(9) 0.2288(5) 0.0325(5)
H93 H 0.962507 0.255206 0.052097
N1 N 0.4541(3) 0.3376(2) 0.2902(2)
C127 C 0.4048(4) 0.3824(3) 0.2813(3)
H94 H 0.421597 0.416273 0.275460
C128 C 0.3308(4) 0.3833(3) 0.2799(3)
H95 H 0.298207 0.416710 0.273410
C129 C 0.3056(4) 0.3349(3) 0.2880(3)
H96 H 0.255356 0.334024 0.284865
C130 C 0.3555(4) 0.2871(3) 0.3008(3)
H97 H 0.339796 0.252789 0.309380
C131 C 0.4292(4) 0.2904(3) 0.3009(3)
H98 H 0.463110 0.257617 0.308809
K1 K 0.45650(8) 0.56604(6) 0.43308(7)
N2 N 0.5129(6) 0.6698(4) 0.3982(5)
C132 C 0.5839(7) 0.6584(4) 0.4175(4)
H99 H 0.593801 0.644690 0.453502
C133 C 0.6404(5) 0.6671(4) 0.3839(5)
H100 H 0.688954 0.659346 0.397073
C134 C 0.6259(6) 0.6872(4) 0.3312(5)
H101 H 0.664532 0.693199 0.308297
C135 C 0.5549(7) 0.6987(4) 0.3120(4)
H102 H 0.544957 0.712395 0.275949
C136 C 0.4983(5) 0.6899(4) 0.3455(5)
H103 H 0.449803 0.697740 0.332377
N3 N 0.3458(4) 0.5501(3) 0.3644(3)
C137 C 0.2778(4) 0.5511(3) 0.3782(3)
H104 H 0.265476 0.560851 0.409589
C138 C 0.2233(5) 0.5392(4) 0.3511(3)
H105 H 0.176045 0.539695 0.364479
C139 C 0.2369(5) 0.5269(4) 0.3053(3)
H106 H 0.200114 0.520181 0.284624
C140 C 0.3092(6) 0.5247(4) 0.2903(5)
H107 H 0.322189 0.515857 0.258575
C141 C 0.3605(6) 0.5348(5) 0.3196(4)
H108 H 0.409050 0.531185 0.308612
N4 N 0.42719(15) 0.45449(13) 0.48379(12)
C142 C 0.35654(15) 0.45604(13) 0.50054(12)
H109 H 0.341861 0.472395 0.527994
C143 C 0.30736(14) 0.43367(14) 0.47714(13)
H110 H 0.259079 0.434736 0.488595
C144 C 0.32884(15) 0.40975(15) 0.43698(13)
H111 H 0.295230 0.394458 0.420983
C145 C 0.39949(15) 0.40819(12) 0.42022(11)
H112 H 0.414164 0.391839 0.392770
C146 C 0.44866(14) 0.43056(12) 0.44362(11)
H113 H 0.496947 0.429498 0.432168
K2 K 0.48442(8) 0.41780(7) -0.00428(5)
N5 N 0.5814(3) 0.4942(3) -0.0502(2)
C147 C 0.6519(4) 0.4794(3) -0.0399(3)
H114 H 0.667460 0.457682 -0.006493
C148 C 0.7033(4) 0.4937(4) -0.0748(3)
H115 H 0.753240 0.481339 -0.065836
C149 C 0.6821(4) 0.5266(4) -0.1238(3)
H116 H 0.716822 0.538135 -0.148474
C150 C 0.6092(4) 0.5418(4) -0.1351(3)
H117 H 0.592162 0.564065 -0.167986
C151 C 0.5618(4) 0.5244(3) -0.0982(3)
H118 H 0.511593 0.534286 -0.106997
N6 N 0.3900(4) 0.3625(3) 0.0648(3)
C152 C 0.3199(5) 0.3708(4) 0.0546(4)
H119 H 0.301861 0.392780 0.021848
C153 C 0.2719(6) 0.3491(4) 0.0892(7)
H120 H 0.221677 0.356768 0.080181
C154 C 0.2942(8) 0.3177(5) 0.1346(6)
H121 H 0.261049 0.300965 0.157777
C155 C 0.3680(10) 0.3095(5) 0.1484(5)
H122 H 0.385933 0.289007 0.181735
C156 C 0.4134(6) 0.3321(5) 0.1116(4)
H123 H 0.463783 0.325927 0.119884
O2 O 0.5263(9) 0.3241(6) -0.0400(6)
K3 K 0.52768(10) 0.06424(7) 0.44140(8)
N7 N 0.4165(4) 0.1605(3) 0.4296(3)
C157 C 0.3478(5) 0.1594(4) 0.4199(4)
H124 H 0.335919 0.127533 0.412557
C158 C 0.2936(6) 0.2009(6) 0.4198(4)
H125 H 0.245656 0.198271 0.410580
C159 C 0.3063(7) 0.2452(7) 0.4324(4)
H126 H 0.267899 0.273303 0.434963
C160 C 0.3786(9) 0.2491(5) 0.4420(5)
H127 H 0.391032 0.280805 0.449381
C161 C 0.4296(5) 0.2062(4) 0.4403(4)
H128 H 0.478445 0.208661 0.447187
N8 N 0.6499(4) -0.0122(3) 0.4306(3)
C162 C 0.6632(5) -0.0637(4) 0.4588(4)
H129 H 0.625085 -0.077644 0.478731
C163 C 0.7270(5) -0.0971(4) 0.4609(4)
H130 H 0.732601 -0.133760 0.480470
C164 C 0.7830(5) -0.0773(5) 0.4347(4)
H131 H 0.828820 -0.099836 0.436075
C165 C 0.7729(6) -0.0249(4) 0.4064(5)
H132 H 0.811255 -0.009672 0.387928
C166 C 0.7054(6) 0.0050(3) 0.4055(4)
H133 H 0.698155 0.041345 0.384980
N9 N 0.4761(7) 0.0851(5) 0.3365(4)
C167 C 0.4097(9) 0.0697(6) 0.3265(6)
H134 H 0.394087 0.037420 0.345393
C168 C 0.3694(10) 0.1075(9) 0.2855(9)
H135 H 0.322860 0.100375 0.278273
C169 C 0.3892(10) 0.1521(9) 0.2557(8)
H136 H 0.361003 0.173325 0.226165
C170 C 0.4486(9) 0.1651(8) 0.2691(8)
H137 H 0.464095 0.197934 0.251560
C171 C 0.4875(8) 0.1303(6) 0.3088(6)
H138 H 0.530793 0.141356 0.317514
O3 O 0.5432(3) 0.0251(2) 0.5469(3)
S8 S 0.31361(8) 0.59502(6) 0.49826(6)
S12 S 0.33882(8) 0.47630(6) -0.07864(5)
K1 K 0.54350(8) 0.43396(6) 0.56692(7)
N4 N 0.57281(15) 0.54551(13) 0.51621(12)
K2 K 0.51558(8) 0.58220(7) 0.00428(5)
N5 N 0.4186(3) 0.5058(3) 0.0502(2)
K3 K 0.47232(10) -0.06424(7) 0.55860(8)
O3 O 0.4568(3) -0.0251(2) 0.4531(3)
N10 N 0.3136(5) -0.0361(3) 0.4264(4)
C172 C 0.2532(7) -0.0381(4) 0.4554(4)
H139 H 0.253523 -0.026656 0.486604
C173 C 0.1940(6) -0.0550(4) 0.4428(4)
H140 H 0.154454 -0.055923 0.465394
C174 C 0.1885(6) -0.0708(3) 0.3990(5)
H141 H 0.145555 -0.081966 0.389908
C175 C 0.2468(5) -0.0704(4) 0.3679(4)
H142 H 0.244569 -0.081664 0.336741
C176 C 0.3078(6) -0.0539(4) 0.3809(4)
H143 H 0.347777 -0.054473 0.358777
N11 N 0.4747(7) 0.0898(6) 0.6079(5)
C177 C 0.4683(7) 0.1459(6) 0.5913(5)
H144 H 0.490211 0.161877 0.560282
C178 C 0.4298(8) 0.1788(5) 0.6199(6)
H145 H 0.425431 0.217142 0.608507
C179 C 0.3978(7) 0.1554(6) 0.6652(5)
H146 H 0.371458 0.177872 0.684788
C180 C 0.4042(7) 0.0993(6) 0.6819(5)
H147 H 0.382266 0.083338 0.712845
C181 C 0.4427(7) 0.0665(5) 0.6532(6)
H148 H 0.447046 0.028072 0.664621
O4 O 0.6760(10) 0.2926(7) -0.0606(6)
C182 C 0.6982(14) 0.3444(8) -0.0688(8)
H149 H 0.749519 0.342438 -0.078508
H150 H 0.691694 0.358459 -0.037498
C183 C 0.6458(15) 0.3814(11) -0.1151(9)
H151 H 0.657148 0.418381 -0.123623
H152 H 0.652810 0.366365 -0.145394
H153 H 0.595416 0.382267 -0.104689
C184 C 0.7227(14) 0.2618(10) -0.0219(8)
H154 H 0.719990 0.275795 0.009536
H155 H 0.773366 0.255698 -0.032835
C185 C 0.6827(15) 0.2096(11) -0.0166(9)
H156 H 0.707225 0.179350 0.010662
H157 H 0.632074 0.218822 -0.007771
H158 H 0.684553 0.199064 -0.049429
O1 O 0.4603(11) 0.6672(6) 0.3600(7)
C1B C 1.0208(4) 0.1574(6) 0.5957(4)
C2B C 1.0497(4) 0.1414(7) 0.6459(4)
H2B H 1.063563 0.167594 0.661806
C3B C 1.0584(5) 0.0871(7) 0.6728(4)
H3B H 1.078152 0.076193 0.707074
C4B C 1.0381(6) 0.0488(6) 0.6495(4)
H4B H 1.044024 0.011737 0.667894
C5B C 1.0092(5) 0.0649(6) 0.5994(4)
H5B H 0.995311 0.038683 0.583446
C6B C 1.0005(4) 0.1191(5) 0.5725(4)
H6B H 0.980723 0.130085 0.538177
C7B C 0.9734(6) 0.1776(5) 0.0561(4)
C8B C 0.9507(6) 0.1415(5) 0.0310(4)
H8B H 0.957623 0.103774 0.047322
C9B C 0.9178(6) 0.1606(5) -0.0179(4)
H9B H 0.902272 0.135971 -0.035014
C10B C 0.9076(6) 0.2158(5) -0.0418(3)
H10B H 0.885124 0.228889 -0.075187
C11B C 0.9303(6) 0.2519(5) -0.0167(3)
H11B H 0.923324 0.289612 -0.033026
C12B C 0.9632(6) 0.2328(5) 0.0322(4)
H12B H 0.978675 0.257416 0.049310

#END
####################################################################### 
# 
# 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_Ag29_K2
_database_code_depnum_ccdc_archive 'CCDC 2298944'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/D4NR01691B 2024
loop_
_audit_author_name
_audit_author_address
'Rika Tanaka'
;Osaka Metropolitan University
Japan
;
_audit_update_record             
;
2023-10-03 deposited with the CCDC.	2024-06-26 downloaded from the CCDC.
;
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
_space_group_name_Hall           '-P 1'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   18.5877(3)
_cell_length_b                   26.3303(4)
_cell_length_c                   27.0946(5)
_cell_angle_alpha                117.9701(17)
_cell_angle_beta                 90.7695(13)
_cell_angle_gamma                90.4463(13)
_cell_volume                     11709.1
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.79796(11) 0.33731(10) 0.17440(9)
Ag2 Ag 0.68423(12) 0.26158(10) 0.15371(9)
Ag3 Ag 0.67966(12) 0.38417(10) 0.24049(9)
Ag4 Ag 0.68167(11) 0.35469(10) 0.12034(9)
Ag5 Ag 0.77117(12) 0.25312(10) 0.06470(9)
Ag6 Ag 0.82768(13) 0.22393(10) 0.14576(10)
Ag7 Ag 0.76851(13) 0.30678(11) 0.25768(9)
Ag8 Ag 0.76397(12) 0.45000(10) 0.19890(9)
Ag9 Ag 0.82333(12) 0.37223(10) 0.09459(9)
Ag10 Ag 0.91977(12) 0.29246(10) 0.11261(9)
Ag11 Ag 0.91795(12) 0.32325(11) 0.22817(9)
Ag12 Ag 0.81997(12) 0.41884(11) 0.28458(9)
Ag13 Ag 0.91582(12) 0.40986(11) 0.19363(9)
Ag14 Ag 0.62609(14) 0.13973(11) 0.08207(11)
Ag15 Ag 0.77675(14) 0.09066(11) 0.07999(10)
Ag16 Ag 0.73195(14) 0.12285(11) -0.01504(11)
Ag17 Ag 0.71462(14) 0.34925(12) 0.38493(10)
Ag18 Ag 0.77203(13) 0.47066(12) 0.41010(9)
Ag19 Ag 0.62152(14) 0.43028(12) 0.35803(10)
Ag20 Ag 0.62730(13) 0.42937(12) 0.07258(11)
Ag21 Ag 0.72246(13) 0.53770(11) 0.15374(10)
Ag22 Ag 0.77890(13) 0.44581(11) 0.03678(10)
Ag23 Ag 1.08776(13) 0.31686(12) 0.23570(10)
Ag24 Ag 1.08848(13) 0.29361(11) 0.11505(10)
Ag25 Ag 1.08656(12) 0.42130(11) 0.20698(9)
Ag26 Ag 0.54698(13) 0.33136(11) 0.16747(10)
Ag27 Ag 0.88708(14) 0.20852(12) 0.26307(11)
Ag28 Ag 0.89768(13) 0.26243(10) -0.02137(10)
Ag29 Ag 0.89100(13) 0.55067(12) 0.29929(10)
S1 S 0.5989(5) 0.1150(4) -0.0169(4)
S2 S 0.5577(4) 0.3490(4) 0.0822(3)
C1 C 0.5748(12) 0.2306(10) 0.0260(7)
H1 H 0.593330 0.234563 0.060449
C2 C 0.5690(12) 0.1765(8) -0.0203(9)
C3 C 0.5419(12) 0.1708(7) -0.0708(8)
H2 H 0.537862 0.133783 -0.102407
C4 C 0.5206(12) 0.2191(10) -0.0750(7)
H3 H 0.502072 0.215187 -0.109451
C5 C 0.5264(12) 0.2732(8) -0.0287(9)
H4 H 0.511912 0.306279 -0.031545
C6 C 0.5535(12) 0.2790(8) 0.0218(8)
S3 S 0.7799(4) 0.2022(3) -0.0372(3)
S4 S 0.6672(5) 0.4014(4) -0.0238(4)
C7 C 0.7146(18) 0.2955(15) -0.0366(13)
H5 H 0.733928 0.315014 0.000382
C8 C 0.7241(19) 0.2376(15) -0.0659(13)
C9 C 0.6991(19) 0.2094(16) -0.1188(13)
H6 H 0.705411 0.169042 -0.139456
C10 C 0.6653(19) 0.2372(16) -0.1432(13)
H7 H 0.647779 0.215333 -0.180567
C11 C 0.6551(18) 0.2936(15) -0.1178(13)
H8 H 0.633511 0.312288 -0.136771
C12 C 0.6797(19) 0.3272(15) -0.0565(13)
S5 S 0.5594(4) 0.2287(4) 0.1540(3)
S6 S 0.5821(5) 0.3558(4) 0.3851(3)
C13 C 0.5675(12) 0.2863(8) 0.2698(8)
H9 H 0.595241 0.314751 0.266035
C14 C 0.5444(13) 0.2369(10) 0.2224(6)
C15 C 0.5038(12) 0.1954(8) 0.2279(7)
H10 H 0.488017 0.161615 0.195570
C16 C 0.4862(12) 0.2032(8) 0.2807(8)
H11 H 0.458468 0.174807 0.284451
C17 C 0.5093(13) 0.2526(10) 0.3280(6)
H12 H 0.497305 0.257970 0.364124
C18 C 0.5499(12) 0.2942(8) 0.3226(7)
S7 S 0.6630(5) 0.0732(4) 0.1180(4)
S8 S 0.7684(5) 0.2548(4) 0.3127(3)
C19 C 0.7078(16) 0.1638(12) 0.2197(9)
H13 H 0.734387 0.177206 0.198300
C20 C 0.6663(16) 0.1137(12) 0.1930(7)
C21 C 0.6274(16) 0.0941(10) 0.2243(9)
H14 H 0.599088 0.059813 0.206070
C22 C 0.6299(15) 0.1246(12) 0.2823(9)
H15 H 0.603231 0.111226 0.303753
C23 C 0.6713(16) 0.1748(12) 0.3091(7)
H16 H 0.672951 0.195629 0.348711
C24 C 0.7102(16) 0.1944(11) 0.2777(9)
S9 S 0.5556(4) 0.4162(4) 0.2689(3)
S10 S 0.5908(4) 0.5274(4) 0.1424(4)
C25 C 0.5697(17) 0.4809(16) 0.2158(15)
H17 H 0.585994 0.446171 0.185733
C26 C 0.5510(17) 0.4792(16) 0.2590(15)
C27 C 0.5263(17) 0.5316(15) 0.3072(15)
H18 H 0.513658 0.533122 0.341770
C28 C 0.5235(17) 0.5775(16) 0.2974(15)
H19 H 0.507985 0.612409 0.327573
C29 C 0.5397(17) 0.5799(16) 0.2509(15)
H20 H 0.531980 0.613357 0.246796
C30 C 0.5689(17) 0.5297(16) 0.2081(15)
S11 S 0.6602(5) 0.5290(4) 0.4242(3)
S12 S 0.7729(4) 0.5554(4) 0.2495(3)
C31 C 0.7034(17) 0.5488(15) 0.3361(12)
H21 H 0.716354 0.509514 0.316778
C32 C 0.6711(17) 0.5685(14) 0.3899(12)
C33 C 0.6543(17) 0.6295(14) 0.4144(12)
H22 H 0.633370 0.647867 0.450279
C34 C 0.6680(17) 0.6616(15) 0.3868(12)
H23 H 0.654437 0.700759 0.403279
C35 C 0.7009(17) 0.6372(14) 0.3361(12)
H24 H 0.712716 0.660078 0.318673
C36 C 0.7166(17) 0.5810(14) 0.3108(12)
S13 S 0.8223(5) 0.0552(3) -0.0153(3)
S14 S 0.9997(4) 0.2418(3) 0.0328(3)
C37 C 0.9191(9) 0.1454(8) 0.0106(11)
H25 H 0.878004 0.168816 0.017437
C38 C 0.9107(9) 0.0875(9) -0.0039(11)
C39 C 0.9708(11) 0.0532(7) -0.0139(10)
H26 H 0.965111 0.013678 -0.023790
C40 C 1.0393(9) 0.0768(8) -0.0094(10)
H27 H 1.080398 0.053321 -0.016179
C41 C 1.0477(9) 0.1346(8) 0.0051(11)
H28 H 1.094489 0.150712 0.008240
C42 C 0.9876(11) 0.1689(7) 0.0151(10)
S15 S 0.8716(4) 0.1428(3) 0.1563(3)
S16 S 1.1400(5) 0.2343(4) 0.1549(4)
C43 C 1.0088(18) 0.1788(14) 0.1489(14)
H29 H 0.985933 0.213970 0.157118
C44 C 0.9663(18) 0.1325(14) 0.1413(14)
C45 C 0.9965(18) 0.0829(14) 0.1313(14)
H30 H 0.967903 0.050597 0.125752
C46 C 1.0715(18) 0.0798(14) 0.1290(14)
H31 H 1.093373 0.045128 0.123547
C47 C 1.1157(19) 0.1254(13) 0.1344(14)
H32 H 1.166373 0.121323 0.130895
C48 C 1.0831(18) 0.1768(14) 0.1450(14)
S17 S 0.8055(4) 0.4116(4) 0.4544(3)
S18 S 0.9880(4) 0.2853(4) 0.2810(3)
C49 C 0.9104(19) 0.3537(15) 0.3721(14)
H33 H 0.877550 0.357049 0.346638
C50 C 0.8916(19) 0.3797(16) 0.4286(14)
C51 C 0.9366(18) 0.3732(16) 0.4646(14)
H34 H 0.923727 0.388267 0.502674
C52 C 1.0008(19) 0.3450(15) 0.4473(14)
H35 H 1.032828 0.342786 0.473770
C53 C 1.0192(19) 0.3195(16) 0.3907(14)
H36 H 1.062907 0.299227 0.378723
C54 C 0.9714(19) 0.3243(16) 0.3510(14)
S19 S 0.8658(4) 0.5062(4) 0.3649(3)
S20 S 1.1326(4) 0.4156(4) 0.2891(3)
C55 C 1.0025(18) 0.4595(16) 0.3334(12)
H37 H 0.985405 0.445088 0.295959
C56 C 0.9535(18) 0.4899(16) 0.3768(12)
C57 C 0.9782(18) 0.5048(16) 0.4328(12)
H38 H 0.945772 0.521380 0.462901
C58 C 1.0452(18) 0.4958(16) 0.4425(12)
H39 H 1.060851 0.508817 0.480116
C59 C 1.0958(19) 0.4668(16) 0.3985(12)
H40 H 1.143076 0.459527 0.407106
C60 C 1.0744(18) 0.4491(16) 0.3418(12)
S21 S 0.8763(4) 0.3705(4) 0.0113(3)
S22 S 1.1397(4) 0.3814(4) 0.1143(3)
C61 C 1.0094(17) 0.3837(13) 0.0623(14)
H41 H 0.990126 0.359501 0.076245
C62 C 0.9657(18) 0.3991(13) 0.0295(14)
C63 C 0.9917(17) 0.4330(13) 0.0095(14)
H42 H 0.961976 0.444823 -0.011955
C64 C 1.0638(17) 0.4508(13) 0.0209(14)
H43 H 1.082686 0.474580 0.006313
C65 C 1.1073(18) 0.4358(13) 0.0511(14)
H44 H 1.156492 0.447524 0.056714
C66 C 1.0794(18) 0.4024(13) 0.0749(14)
S23 S 0.8118(4) 0.5484(4) 0.0931(3)
S24 S 0.9912(4) 0.4970(4) 0.2276(3)
C67 C 0.9113(16) 0.5228(14) 0.1539(12)
H45 H 0.873939 0.499520 0.156757
C68 C 0.8989(16) 0.5512(14) 0.1243(13)
C69 C 0.9488(16) 0.5883(14) 0.1231(13)
H46 H 0.938675 0.610468 0.104606
C70 C 1.0148(16) 0.5932(14) 0.1493(13)
H47 H 1.050482 0.617958 0.146930
C71 C 1.0313(16) 0.5630(14) 0.1794(12)
H48 H 1.076589 0.567393 0.197689
C72 C 0.9779(16) 0.5267(14) 0.1808(13)
P1 P 0.9186(6) 0.1421(5) 0.3015(4)
C73 C 1.006(3) 0.1320(16) 0.307(2)
C74 C 1.035(3) 0.1099(16) 0.3356(19)
H49 H 1.003308 0.094816 0.352688
C75 C 1.114(2) 0.1056(16) 0.345(2)
H50 H 1.130506 0.092873 0.370557
C76 C 1.163(3) 0.1208(16) 0.3150(19)
H51 H 1.212180 0.111952 0.315091
C77 C 1.141(3) 0.1475(16) 0.2863(19)
H52 H 1.173558 0.163309 0.270478
C78 C 1.062(2) 0.1510(16) 0.2806(19)
H53 H 1.046277 0.167208 0.257725
C79 C 0.883(3) 0.163(2) 0.369(2)
C80 C 0.859(3) 0.129(2) 0.388(2)
H54 H 0.855186 0.088907 0.361709
C81 C 0.837(3) 0.143(2) 0.442(2)
H55 H 0.824275 0.116057 0.454001
C82 C 0.837(3) 0.198(2) 0.473(2)
H56 H 0.821231 0.209619 0.510006
C83 C 0.857(3) 0.243(2) 0.462(2)
H57 H 0.852933 0.283195 0.487208
C84 C 0.884(3) 0.221(2) 0.4093(19)
H58 H 0.905806 0.247294 0.398722
C85 C 0.886(4) 0.071(2) 0.260(3)
C86 C 0.925(4) 0.025(2) 0.230(3)
H59 H 0.974741 0.025949 0.237186
C87 C 0.891(4) -0.026(2) 0.186(3)
H60 H 0.919013 -0.056943 0.159424
C88 C 0.814(4) -0.028(2) 0.183(3)
H61 H 0.790881 -0.062305 0.156367
C89 C 0.778(4) 0.009(2) 0.211(3)
H62 H 0.727290 0.002737 0.210670
C90 C 0.805(4) 0.063(2) 0.246(3)
H63 H 0.774572 0.095328 0.260840
P2 P 0.9449(6) 0.2233(4) -0.1183(4)
C91 C 0.927(3) 0.1481(17) -0.1567(19)
C92 C 0.940(3) 0.1143(17) -0.1291(19)
H64 H 0.955653 0.133414 -0.091076
C93 C 0.931(3) 0.0559(17) -0.1546(18)
H65 H 0.947185 0.033708 -0.137324
C94 C 0.895(3) 0.0288(18) -0.2106(18)
H66 H 0.877820 -0.009789 -0.227136
C95 C 0.888(3) 0.0600(17) -0.2368(19)
H67 H 0.872382 0.041740 -0.274718
C96 C 0.903(3) 0.1171(17) -0.2115(18)
H68 H 0.896278 0.137109 -0.232585
C97 C 0.913(2) 0.2522(19) -0.1629(15)
C98 C 0.848(2) 0.2799(18) -0.1505(15)
H69 H 0.822609 0.283560 -0.118795
C99 C 0.819(2) 0.3020(18) -0.1822(15)
H70 H 0.776202 0.323370 -0.171415
C100 C 0.854(2) 0.2932(18) -0.2314(15)
H71 H 0.831203 0.303921 -0.256639
C101 C 0.922(2) 0.2686(18) -0.2430(15)
H72 H 0.948900 0.266620 -0.273264
C102 C 0.948(2) 0.2471(18) -0.2085(15)
H73 H 0.992895 0.227967 -0.217144
C103 C 1.039(2) 0.2311(18) -0.1216(19)
C104 C 1.072(2) 0.2836(18) -0.0845(19)
H74 H 1.043677 0.314047 -0.058728
C105 C 1.151(2) 0.2927(19) -0.0845(19)
H75 H 1.174559 0.327916 -0.059505
C106 C 1.189(2) 0.2456(18) -0.1239(19)
H76 H 1.240097 0.247407 -0.123371
C107 C 1.153(2) 0.1959(18) -0.164(2)
H77 H 1.179901 0.168259 -0.194455
C108 C 1.086(2) 0.1865(19) -0.1610(19)
H78 H 1.065916 0.149516 -0.184986
P3 P 0.9413(5) 0.6497(4) 0.3568(4)
C109 C 0.9210(18) 0.6979(10) 0.3282(10)
C110 C 0.9209(17) 0.7572(11) 0.3613(8)
H79 H 0.933558 0.773711 0.399902
C111 C 0.9024(18) 0.7925(8) 0.3379(10)
H80 H 0.902377 0.833069 0.360555
C112 C 0.8839(18) 0.7684(10) 0.2815(10)
H81 H 0.871272 0.792500 0.265524
C113 C 0.8840(17) 0.7090(11) 0.2484(8)
H82 H 0.871346 0.692573 0.209838
C114 C 0.9025(18) 0.6738(8) 0.2718(10)
H83 H 0.902527 0.633214 0.249184
C115 C 1.0369(12) 0.6509(14) 0.3631(12)
C116 C 1.0681(16) 0.6069(13) 0.3703(13)
H84 H 1.038489 0.578949 0.373281
C117 C 1.1425(17) 0.6039(12) 0.3732(13)
H85 H 1.163830 0.573917 0.378117
C118 C 1.1858(12) 0.6449(14) 0.3688(12)
H86 H 1.236705 0.642841 0.370773
C119 C 1.1547(16) 0.6888(13) 0.3616(13)
H87 H 1.184240 0.716797 0.358594
C120 C 1.0802(17) 0.6918(12) 0.3587(13)
H88 H 1.058899 0.721830 0.353758
C121 C 0.9138(14) 0.6875(10) 0.4293(7)
C122 C 0.8472(13) 0.6729(9) 0.4423(8)
H89 H 0.818851 0.642927 0.414081
C123 C 0.8223(12) 0.7022(10) 0.4965(9)
H90 H 0.776792 0.692233 0.505423
C124 C 0.8638(14) 0.7461(10) 0.5378(7)
H91 H 0.846713 0.766117 0.574871
C125 C 0.9303(13) 0.7607(9) 0.5248(8)
H92 H 0.958694 0.790697 0.552976
C126 C 0.9553(12) 0.7314(11) 0.4705(9)
H93 H 1.000754 0.741391 0.461634
N1 N 0.4179(17) 0.3365(17) 0.1733(16)
C127 C 0.384(2) 0.302(2) 0.1850(19)
H94 H 0.410314 0.273646 0.189009
C128 C 0.309(2) 0.304(2) 0.1925(19)
H95 H 0.283187 0.275624 0.197774
C129 C 0.280(2) 0.346(2) 0.1917(19)
H96 H 0.228814 0.348424 0.194638
C130 C 0.312(2) 0.387(2) 0.1871(19)
H97 H 0.287035 0.419542 0.189645
C131 C 0.389(2) 0.382(2) 0.1780(19)
H98 H 0.416827 0.411304 0.175622
K1 K 0.5349(4) 0.5856(4) 0.5166(3)
N2 N 0.4233(16) 0.4989(15) 0.4490(12)
C132 C 0.3533(19) 0.5184(18) 0.4634(14)
H99 H 0.343239 0.541537 0.501836
C133 C 0.299(2) 0.5061(18) 0.4256(14)
H100 H 0.252536 0.520866 0.438172
C134 C 0.309(2) 0.4744(18) 0.3720(14)
H101 H 0.269838 0.463787 0.346040
C135 C 0.3809(19) 0.4558(18) 0.3532(15)
H102 H 0.391143 0.434205 0.314554
C136 C 0.435(2) 0.4711(18) 0.3946(14)
H103 H 0.483398 0.460867 0.382873
N3 N 0.6571(15) 0.6433(15) 0.5860(13)
C137 C 0.6522(15) 0.6763(15) 0.6436(14)
H104 H 0.606346 0.685844 0.660348
C138 C 0.714(2) 0.6952(15) 0.6767(10)
H105 H 0.711018 0.717665 0.716063
C139 C 0.7815(16) 0.6811(16) 0.6522(14)
H106 H 0.823964 0.694041 0.674799
C140 C 0.7864(15) 0.6482(16) 0.5946(14)
H107 H 0.832240 0.638595 0.577818
C141 C 0.7242(19) 0.6293(15) 0.5615(10)
H108 H 0.727568 0.606773 0.522101
K2 K 0.4673(4) 0.5705(4) 0.0851(4)
N4 N 0.3575(17) 0.5598(18) 0.1511(15)
C142 C 0.363(2) 0.549(2) 0.1956(18)
H109 H 0.410477 0.548837 0.208978
C143 C 0.307(2) 0.539(2) 0.2238(19)
H110 H 0.316165 0.531416 0.254109
C144 C 0.237(2) 0.541(2) 0.2063(18)
H111 H 0.197123 0.536202 0.225475
C145 C 0.226(2) 0.550(2) 0.1631(18)
H112 H 0.179169 0.548069 0.148523
C146 C 0.286(2) 0.562(2) 0.1382(19)
H113 H 0.275749 0.571966 0.109661
N5 N 0.4209(11) 0.4501(12) -0.0020(11)
C147 C 0.4381(10) 0.4249(12) 0.0316(12)
H114 H 0.486786 0.423624 0.041919
C148 C 0.3839(13) 0.4015(13) 0.0500(12)
H115 H 0.395692 0.384226 0.072902
C149 C 0.3126(11) 0.4033(12) 0.0348(12)
H116 H 0.275665 0.387305 0.047399
C150 C 0.2955(9) 0.4285(13) 0.0013(12)
H117 H 0.246730 0.429783 -0.009088
C151 C 0.3496(12) 0.4519(12) -0.0171(11)
H118 H 0.337822 0.469182 -0.040072
N6 N 0.549(2) 0.6788(18) 0.1525(18)
C152 C 0.537(2) 0.6983(18) 0.209(2)
H119 H 0.489738 0.703313 0.222645
C153 C 0.596(3) 0.7104(18) 0.2457(14)
H120 H 0.587850 0.723698 0.284421
C154 C 0.665(2) 0.7030(19) 0.2258(19)
H121 H 0.705215 0.711267 0.250925
C155 C 0.677(2) 0.6835(19) 0.169(2)
H122 H 0.724468 0.678451 0.155653
C156 C 0.619(3) 0.6714(17) 0.1326(14)
H123 H 0.626356 0.658065 0.093876
K3 K 0.5142(5) -0.0094(4) 0.0754(4)
N7 N 0.4133(19) 0.0502(15) 0.0368(17)
C157 C 0.344(2) 0.0345(19) 0.029(2)
H124 H 0.332068 -0.005366 0.012343
C158 C 0.292(2) 0.0714(18) 0.044(2)
H125 H 0.244786 0.056854 0.041481
C159 C 0.300(2) 0.1298(18) 0.063(2)
H126 H 0.261864 0.155204 0.068177
C160 C 0.375(2) 0.1472(19) 0.073(2)
H127 H 0.388841 0.186666 0.091220
C161 C 0.423(2) 0.1067(18) 0.058(2)
H128 H 0.471841 0.119481 0.061540
O1 O 0.630(3) -0.0538(14) 0.0986(16)
S1 S 0.4011(5) -0.1150(4) 0.0169(4)
S4 S 0.3328(5) 0.5986(4) 0.0238(4)
S6 S 0.4179(5) 0.6442(4) 0.6149(3)
K1 K 0.4651(4) 0.4144(4) 0.4834(3)
N2 N 0.5767(16) 0.5011(15) 0.5510(12)
K2 K 0.5327(4) 0.4295(4) -0.0851(4)
N5 N 0.5791(11) 0.5499(12) 0.0020(11)
K3 K 0.4858(5) 0.0094(4) -0.0754(4)
N7 N 0.5867(19) -0.0502(15) -0.0368(17)
N8 N 0.693(2) -0.1591(12) 0.0533(14)
C162 C 0.6395(15) -0.1972(16) 0.0198(16)
H129 H 0.590425 -0.186535 0.026024
C163 C 0.6576(18) -0.2510(15) -0.0227(15)
H130 H 0.620881 -0.277034 -0.045557
C164 C 0.729(2) -0.2666(12) -0.0317(15)
H131 H 0.741710 -0.303349 -0.060788
C165 C 0.7830(15) -0.2285(16) 0.0017(17)
H132 H 0.832084 -0.239166 -0.004436
C166 C 0.7649(17) -0.1747(15) 0.0443(15)
H133 H 0.801629 -0.148666 0.067145

#END
####################################################################### 
# 
# 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_Ag29_K_toluene
_database_code_depnum_ccdc_archive 'CCDC 2298943'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/D4NR01691B 2024
loop_
_audit_author_name
_audit_author_address
'Rika Tanaka'
;Osaka Metropolitan University
Japan
;
_audit_update_record             
;
2023-10-03 deposited with the CCDC.	2024-06-26 downloaded from the CCDC.
;
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
_space_group_name_Hall           '-P 1'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   18.6217(3)
_cell_length_b                   24.4444(3)
_cell_length_c                   27.0076(4)
_cell_angle_alpha                84.7969(11)
_cell_angle_beta                 89.5296(11)
_cell_angle_gamma                82.4959(11)
_cell_volume                     12138.2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.82520(5) 0.33079(4) 0.76456(3)
Ag2 Ag 0.72245(5) 0.26037(4) 0.75349(4)
Ag3 Ag 0.70526(5) 0.34814(4) 0.82423(3)
Ag4 Ag 0.69959(5) 0.38021(4) 0.71589(3)
Ag5 Ag 0.80056(5) 0.30514(4) 0.66846(3)
Ag6 Ag 0.87212(5) 0.22144(4) 0.74760(4)
Ag7 Ag 0.81022(5) 0.24853(4) 0.84014(3)
Ag8 Ag 0.84437(5) 0.36070(4) 0.85939(3)
Ag9 Ag 0.77481(5) 0.43876(4) 0.78514(4)
Ag10 Ag 0.83576(5) 0.41124(4) 0.68684(3)
Ag11 Ag 0.94754(5) 0.31723(4) 0.70671(3)
Ag12 Ag 0.95361(5) 0.28301(4) 0.81048(3)
Ag13 Ag 0.93289(5) 0.39726(4) 0.77672(3)
Ag14 Ag 0.57460(5) 0.32921(5) 0.76554(4)
Ag15 Ag 0.93532(6) 0.21722(5) 0.62563(4)
Ag16 Ag 0.93370(6) 0.25312(5) 0.92976(4)
Ag17 Ag 0.88473(6) 0.53141(5) 0.72516(4)
Ag18 Ag 0.63872(5) 0.41741(5) 0.90287(4)
Ag19 Ag 0.78858(5) 0.43259(5) 0.94612(4)
Ag20 Ag 0.71888(5) 0.52071(5) 0.86600(4)
Ag21 Ag 0.74222(6) 0.35314(5) 0.55660(4)
Ag22 Ag 0.63330(5) 0.43019(5) 0.61651(4)
Ag23 Ag 0.77739(5) 0.46840(5) 0.57963(4)
Ag24 Ag 0.78936(6) 0.12526(5) 0.86254(4)
Ag25 Ag 0.84054(7) 0.09513(5) 0.75690(4)
Ag26 Ag 0.68103(6) 0.14223(5) 0.77241(4)
Ag27 Ag 1.12152(5) 0.30979(5) 0.69818(4)
Ag28 Ag 1.12116(5) 0.28098(5) 0.81046(4)
Ag29 Ag 1.10421(5) 0.40617(5) 0.76804(4)
S1 S 0.58256(17) 0.34359(16) 0.85914(13)
S2 S 0.6584(2) 0.11726(16) 0.86201(15)
C1 C 0.6185(7) 0.2301(6) 0.8682(6)
H1 H 0.635665 0.235132 0.835128
C2 C 0.5902(7) 0.2759(6) 0.8923(6)
C3 C 0.5656(9) 0.2700(8) 0.9400(6)
H2 H 0.546295 0.301385 0.956467
C4 C 0.5695(9) 0.2172(8) 0.9638(7)
H3 H 0.552834 0.212450 0.997038
C5 C 0.5979(9) 0.1698(7) 0.9397(6)
H4 H 0.599987 0.133770 0.956506
C6 C 0.6222(7) 0.1766(6) 0.8920(6)
S3 S 0.68455(18) 0.39165(16) 0.98853(13)
S4 S 0.82433(19) 0.19740(15) 0.92280(13)
C7 C 0.7451(7) 0.2897(6) 0.9586(5)
H5 H 0.756649 0.309455 0.928301
C8 C 0.7076(7) 0.3181(7) 0.9952(5)
C9 C 0.6907(8) 0.2896(7) 1.0391(6)
H6 H 0.665499 0.308586 1.064516
C10 C 0.7112(9) 0.2325(8) 1.0457(6)
H7 H 0.699181 0.212973 1.076056
C11 C 0.7479(9) 0.2032(7) 1.0103(5)
H8 H 0.760627 0.164252 1.015842
C12 C 0.7664(7) 0.2319(6) 0.9657(5)
S5 S 0.60321(18) 0.23122(15) 0.73617(13)
S6 S 0.60903(19) 0.36099(17) 0.55849(13)
C13 C 0.6047(7) 0.2891(6) 0.6427(5)
H9 H 0.623078 0.316581 0.659863
C14 C 0.5913(7) 0.2396(5) 0.6698(5)
C15 C 0.5680(9) 0.1966(6) 0.6451(7)
H10 H 0.560726 0.162366 0.662710
C16 C 0.5563(12) 0.2059(8) 0.5952(8)
H11 H 0.539143 0.178002 0.577979
C17 C 0.5686(10) 0.2546(8) 0.5693(6)
H12 H 0.560872 0.258825 0.534314
C18 C 0.5924(7) 0.2992(7) 0.5924(5)
S7 S 0.7323(2) 0.07946(16) 0.71040(15)
S8 S 0.8085(2) 0.25940(15) 0.59129(12)
C19 C 0.7605(8) 0.1691(6) 0.6459(6)
H13 H 0.776463 0.183963 0.674583
C20 C 0.7345(9) 0.1194(7) 0.6518(6)
C21 C 0.7117(12) 0.0986(7) 0.6088(7)
H14 H 0.695084 0.063277 0.611331
C22 C 0.7126(14) 0.1270(9) 0.5644(7)
H15 H 0.695034 0.112414 0.536161
C23 C 0.7384(11) 0.1768(8) 0.5591(6)
H16 H 0.738608 0.196510 0.527130
C24 C 0.7647(9) 0.1992(6) 0.6001(6)
S9 S 0.56960(17) 0.41488(15) 0.70015(13)
S10 S 0.58805(18) 0.51420(17) 0.87403(14)
C25 C 0.5741(7) 0.4732(6) 0.7827(5)
H17 H 0.598408 0.439574 0.798338
C26 C 0.5533(7) 0.4746(6) 0.7329(6)
C27 C 0.5187(8) 0.5244(6) 0.7106(6)
H18 H 0.503394 0.527058 0.676916
C28 C 0.5067(9) 0.5698(7) 0.7375(7)
H19 H 0.484797 0.604211 0.721841
C29 C 0.5263(8) 0.5660(7) 0.7873(7)
H20 H 0.515269 0.597380 0.805759
C30 C 0.5609(7) 0.5182(6) 0.8100(5)
S11 S 0.65667(19) 0.52525(16) 0.58958(13)
S12 S 0.76617(18) 0.53969(15) 0.77724(13)
C31 C 0.6988(7) 0.5383(6) 0.6863(5)
H21 H 0.719467 0.500531 0.688016
C32 C 0.6622(7) 0.5611(6) 0.6434(5)
C33 C 0.6305(9) 0.6159(7) 0.6432(6)
H22 H 0.604000 0.633225 0.614822
C34 C 0.6374(10) 0.6450(7) 0.6836(7)
H23 H 0.616517 0.682757 0.682095
C35 C 0.6731(10) 0.6217(7) 0.7258(7)
H24 H 0.674670 0.642138 0.753992
C36 C 0.7069(8) 0.5678(7) 0.7266(5)
S13 S 0.82292(19) 0.41234(16) 0.51182(12)
S14 S 1.02495(17) 0.28644(15) 0.63913(12)
C37 C 0.9329(7) 0.3551(6) 0.5730(5)
H25 H 0.897831 0.354232 0.598687
C38 C 0.9125(8) 0.3827(6) 0.5262(5)
C39 C 0.9647(8) 0.3828(6) 0.4897(5)
H26 H 0.952364 0.399806 0.457372
C40 C 1.0345(8) 0.3586(7) 0.4998(5)
H27 H 1.069822 0.359832 0.474283
C41 C 1.0543(8) 0.3326(7) 0.5458(5)
H28 H 1.103070 0.316828 0.552196
C42 C 1.0025(7) 0.3295(6) 0.5827(5)
S15 S 0.86854(18) 0.49457(15) 0.64023(12)
S16 S 1.15271(18) 0.40438(17) 0.68317(13)
C43 C 1.0118(7) 0.4473(6) 0.6537(5)
H29 H 0.996490 0.432585 0.685200
C44 C 0.9610(7) 0.4768(6) 0.6209(5)
C45 C 0.9822(8) 0.4976(6) 0.5740(5)
H30 H 0.948001 0.518962 0.551734
C46 C 1.0528(9) 0.4867(6) 0.5610(5)
H31 H 1.066858 0.498718 0.528364
C47 C 1.1052(8) 0.4589(7) 0.5935(5)
H32 H 1.154610 0.453097 0.583768
C48 C 1.0833(8) 0.4391(6) 0.6417(5)
S17 S 0.9288(2) 0.14518(15) 0.70169(13)
S18 S 1.18305(18) 0.22586(17) 0.74572(14)
C49 C 1.0596(8) 0.1765(6) 0.7291(5)
H33 H 1.032118 0.210030 0.737153
C50 C 1.0241(8) 0.1352(6) 0.7140(5)
C51 C 1.0620(10) 0.0844(7) 0.7059(7)
H34 H 1.036995 0.054716 0.698243
C52 C 1.1366(9) 0.0772(7) 0.7091(7)
H35 H 1.163294 0.043350 0.701100
C53 C 1.1734(9) 0.1199(7) 0.7242(7)
H36 H 1.224502 0.113750 0.728259
C54 C 1.1352(6) 0.1709(6) 0.7331(5)
S19 S 0.8897(2) 0.05653(15) 0.83873(15)
S20 S 1.04139(17) 0.22958(15) 0.87054(12)
C55 C 0.9744(7) 0.1375(5) 0.8526(5)
H37 H 0.930129 0.160926 0.856412
C56 C 0.9716(8) 0.0837(7) 0.8434(6)
C57 C 1.0372(9) 0.0498(6) 0.8353(7)
H38 H 1.036928 0.012674 0.827611
C58 C 1.1014(9) 0.0712(8) 0.8386(7)
H39 H 1.145601 0.048175 0.833857
C59 C 1.1035(8) 0.1258(7) 0.8488(6)
H40 H 1.148640 0.139744 0.850496
C60 C 1.0395(7) 0.1596(6) 0.8565(5)
S21 S 0.89709(17) 0.35836(15) 0.94236(12)
S22 S 1.15978(17) 0.36287(17) 0.84644(13)
C61 C 1.0284(7) 0.3685(6) 0.8972(5)
H41 H 1.016056 0.341570 0.876655
C62 C 0.9792(7) 0.3873(6) 0.9330(5)
C63 C 0.9969(7) 0.4271(5) 0.9622(5)
H42 H 0.963539 0.440743 0.986400
C64 C 1.0627(8) 0.4473(6) 0.9566(5)
H43 H 1.074389 0.474441 0.977214
C65 C 1.1115(7) 0.4285(6) 0.9214(5)
H44 H 1.156490 0.442714 0.917816
C66 C 1.0952(7) 0.3883(6) 0.8906(5)
S23 S 0.80778(19) 0.53048(16) 0.93094(13)
S24 S 0.99431(17) 0.48001(15) 0.77630(12)
C67 C 0.9123(7) 0.5042(6) 0.8591(5)
H45 H 0.883042 0.478127 0.849044
C68 C 0.8900(7) 0.5337(6) 0.8995(5)
C69 C 0.9377(7) 0.5703(6) 0.9145(5)
H46 H 0.925726 0.590859 0.942249
C70 C 1.0016(8) 0.5761(6) 0.8887(6)
H47 H 1.033157 0.600291 0.899424
C71 C 1.0197(8) 0.5473(6) 0.8477(6)
H48 H 1.062933 0.552383 0.829982
C72 C 0.9755(7) 0.5112(6) 0.8326(5)
P1 P 0.9932(4) 0.1617(2) 0.55973(18)
C73 C 0.9579(10) 0.1843(5) 0.4966(4)
C74 C 0.9564(13) 0.1481(4) 0.4599(6)
H49 H 0.969993 0.109420 0.467738
C75 C 0.9352(13) 0.1684(6) 0.4118(5)
H50 H 0.934174 0.143637 0.386746
C76 C 0.9154(11) 0.2249(6) 0.4004(4)
H51 H 0.900810 0.238802 0.367534
C77 C 0.9168(8) 0.2611(5) 0.4371(5)
H52 H 0.903265 0.299750 0.429313
C78 C 0.9381(7) 0.2408(5) 0.4852(4)
H53 H 0.939084 0.265534 0.510305
C79 C 0.9748(11) 0.0900(4) 0.5701(6)
C80 C 1.0293(10) 0.0462(6) 0.5652(7)
H54 H 1.076276 0.053411 0.554812
C81 C 1.0150(12) -0.0080(5) 0.5755(8)
H55 H 1.052265 -0.037959 0.572165
C82 C 0.9463(13) -0.0185(5) 0.5907(8)
H56 H 0.936513 -0.055639 0.597762
C83 C 0.8918(10) 0.0252(8) 0.5956(7)
H57 H 0.844772 0.018051 0.606008
C84 C 0.9060(9) 0.0795(6) 0.5853(6)
H58 H 0.868782 0.109421 0.588656
C85 C 1.0930(14) 0.1587(9) 0.5540(9)
C86 C 1.1293(13) 0.1675(9) 0.5960(10)
H59 H 1.102187 0.173672 0.625400
C87 C 1.2062(14) 0.1677(12) 0.5976(13)
H60 H 1.230391 0.173542 0.627160
C88 C 1.2424(17) 0.1590(15) 0.5549(16)
H61 H 1.292698 0.161919 0.552526
C89 C 1.201(2) 0.1445(15) 0.5103(15)
H62 H 1.226467 0.132973 0.481735
C90 C 1.1273(19) 0.1480(11) 0.5111(11)
H63 H 1.100938 0.142973 0.482223
P2 P 0.9982(2) 0.22757(17) 1.01236(14)
C91 C 1.0063(7) 0.1534(3) 1.0323(4)
C92 C 0.9747(9) 0.1195(5) 1.0026(4)
H64 H 0.952977 0.134516 0.971783
C93 C 0.9748(10) 0.0637(4) 1.0180(5)
H65 H 0.953136 0.040533 0.997746
C94 C 1.0065(9) 0.0417(3) 1.0632(5)
H66 H 1.006574 0.003593 1.073692
C95 C 1.0382(9) 0.0756(5) 1.0928(4)
H67 H 1.059851 0.060635 1.123675
C96 C 1.0381(8) 0.1315(4) 1.0774(4)
H68 H 1.059692 0.154618 1.097713
C97 C 0.9585(8) 0.2614(6) 1.0663(5)
C98 C 0.8860(8) 0.2824(7) 1.0644(6)
H69 H 0.858264 0.280008 1.035528
C99 C 0.8538(9) 0.3068(8) 1.1048(6)
H70 H 0.804014 0.321654 1.103658
C100 C 0.8949(11) 0.3095(8) 1.1468(6)
H71 H 0.871925 0.324879 1.174915
C101 C 0.9676(10) 0.2907(8) 1.1492(7)
H72 H 0.995104 0.294731 1.177845
C102 C 1.0000(10) 0.2661(7) 1.1096(6)
H73 H 1.050046 0.252128 1.110907
C103 C 1.0917(8) 0.2419(7) 1.0116(7)
C104 C 1.1493(13) 0.2011(11) 1.0035(15)
H74 H 1.140172 0.163710 1.003893
C105 C 1.2201(13) 0.2133(12) 0.9947(16)
H75 H 1.257890 0.186382 0.985174
C106 C 1.2313(12) 0.2672(10) 1.0009(12)
H76 H 1.279608 0.275918 0.999408
C107 C 1.1772(10) 0.3083(9) 1.0088(7)
H77 H 1.187480 0.344939 1.011763
C108 C 1.1081(8) 0.2963(7) 1.0125(6)
H78 H 1.069797 0.325451 1.015879
P3 P 0.9132(2) 0.62812(17) 0.70652(16)
C109 C 0.8782(9) 0.6744(7) 0.7516(6)
C110 C 0.8595(13) 0.7308(9) 0.7418(8)
H79 H 0.865627 0.746897 0.708924
C111 C 0.8319(17) 0.7658(8) 0.7781(10)
H80 H 0.819653 0.804485 0.770026
C112 C 0.8231(12) 0.7421(9) 0.8258(9)
H81 H 0.803218 0.764603 0.850773
C113 C 0.8431(9) 0.6856(7) 0.8376(7)
H82 H 0.837048 0.669374 0.870374
C114 C 0.8716(9) 0.6539(7) 0.8014(6)
H83 H 0.887814 0.615851 0.810430
C115 C 0.8783(9) 0.6647(7) 0.6478(6)
C116 C 0.8156(10) 0.6524(8) 0.6302(7)
H84 H 0.792430 0.623928 0.647406
C117 C 0.7839(13) 0.6809(10) 0.5871(8)
H85 H 0.738645 0.672439 0.576136
C118 C 0.8168(12) 0.7209(9) 0.5603(7)
H86 H 0.795005 0.740961 0.531243
C119 C 0.8821(11) 0.7304(8) 0.5772(7)
H87 H 0.906632 0.756790 0.558082
C120 C 0.9159(11) 0.7041(7) 0.6209(6)
H88 H 0.961418 0.712351 0.631671
C121 C 1.0117(11) 0.6315(7) 0.7024(7)
C122 C 1.0532(11) 0.5892(9) 0.6804(9)
H89 H 1.030591 0.559756 0.669404
C123 C 1.1238(12) 0.5889(10) 0.6745(12)
H90 H 1.150303 0.560049 0.657942
C124 C 1.1592(13) 0.6283(13) 0.6912(11)
H91 H 1.210254 0.626291 0.688007
C125 C 1.1209(14) 0.6708(12) 0.7127(8)
H92 H 1.145238 0.699251 0.723854
C126 C 1.0432(12) 0.6733(9) 0.7190(6)
H93 H 1.015691 0.702846 0.734062
N1 N 0.4478(6) 0.3296(6) 0.7627(5)
C127 C 0.4170(9) 0.2923(11) 0.7428(9)
H94 H 0.446847 0.264496 0.726939
C128 C 0.3424(12) 0.2907(14) 0.7433(11)
H95 H 0.322764 0.260130 0.731935
C129 C 0.3007(9) 0.3313(10) 0.7595(7)
H96 H 0.249615 0.331517 0.759217
C130 C 0.3301(10) 0.3746(10) 0.7774(10)
H97 H 0.300286 0.405435 0.788905
C131 C 0.4026(9) 0.3714(10) 0.7779(8)
H98 H 0.423063 0.401266 0.789901
K1 K 0.48294(17) 0.41931(18) 0.48033(13)
O1 O 0.5745(18) 0.3464(13) 0.4145(11)
N2 N 0.5801(6) 0.5000(6) 0.4466(5)
C132 C 0.5630(8) 0.5300(8) 0.4039(6)
H99 H 0.513201 0.542404 0.397443
C133 C 0.6123(9) 0.5444(9) 0.3683(6)
H100 H 0.596948 0.565968 0.338282
C134 C 0.6846(9) 0.5266(9) 0.3776(8)
H101 H 0.719830 0.534622 0.353353
C135 C 0.7056(9) 0.4973(9) 0.4221(8)
H102 H 0.755354 0.485363 0.429317
C136 C 0.6514(8) 0.4855(7) 0.4570(6)
H103 H 0.665365 0.466816 0.488485
N3 N 0.3762(8) 0.3637(7) 0.5325(6)
C137 C 0.3084(11) 0.3729(9) 0.5188(9)
H104 H 0.298012 0.394469 0.487998
C138 C 0.2504(11) 0.3548(9) 0.5439(9)
H105 H 0.202247 0.364949 0.531991
C139 C 0.2650(13) 0.3223(10) 0.5862(9)
H106 H 0.226401 0.308328 0.604365
C140 C 0.3339(16) 0.3088(11) 0.6035(9)
H107 H 0.344336 0.285297 0.633277
C141 C 0.3886(15) 0.3309(12) 0.5759(10)
H108 H 0.436919 0.322745 0.587933
K2 K 0.54194(18) 0.43397(17) 1.05660(15)
N4 N 0.4271(7) 0.4504(6) 0.9796(5)
C142 C 0.4462(9) 0.4188(9) 0.9439(8)
H109 H 0.496148 0.413307 0.935478
C143 C 0.3992(8) 0.3924(9) 0.9171(7)
H110 H 0.416267 0.371617 0.890319
C144 C 0.3276(8) 0.3974(8) 0.9305(7)
H111 H 0.293592 0.379519 0.913980
C145 C 0.3067(7) 0.4298(7) 0.9695(6)
H112 H 0.257730 0.434356 0.980110
C146 C 0.3569(8) 0.4547(7) 0.9921(6)
H113 H 0.341236 0.476547 1.018415
N5 N 0.4701(13) 0.3361(9) 1.0776(10)
C147 C 0.3995(15) 0.3451(12) 1.0897(13)
H114 H 0.381053 0.382817 1.092237
C148 C 0.3539(15) 0.3115(14) 1.0982(16)
H115 H 0.305211 0.322774 1.107390
C149 C 0.382(2) 0.2539(13) 1.0926(18)
H116 H 0.351865 0.225766 1.100111
C150 C 0.4469(18) 0.2406(15) 1.0779(13)
H117 H 0.464881 0.204047 1.070691
C151 C 0.4896(15) 0.2843(12) 1.0732(11)
H118 H 0.539235 0.274207 1.065678
N6 N 0.6511(8) 0.4551(7) 1.1261(7)
C152 C 0.6405(14) 0.4743(11) 1.1723(10)
H119 H 0.592250 0.480995 1.184190
C153 C 0.6965(13) 0.4844(12) 1.2024(9)
H120 H 0.687169 0.498699 1.233765
C154 C 0.7669(11) 0.4728(9) 1.1848(9)
H121 H 0.807059 0.478429 1.204332
C155 C 0.7773(9) 0.4533(9) 1.1394(8)
H122 H 0.824813 0.445493 1.126517
C156 C 0.7189(10) 0.4451(9) 1.1126(8)
H123 H 0.728077 0.430726 1.081313
S10 S 0.41195(18) 0.48580(17) 1.12597(14)
S11 S 0.34333(19) 0.47475(16) 0.41042(13)
K1 K 0.51706(17) 0.58069(18) 0.51967(13)
N2 N 0.4199(6) 0.5000(6) 0.5534(5)
K2 K 0.45806(18) 0.56603(17) 0.94340(15)
N4 N 0.5729(7) 0.5496(6) 1.0204(5)
N7 N 0.7505(10) 0.0512(6) 0.9854(6)
C157 C 0.8102(10) 0.0145(8) 0.9733(6)
H124 H 0.837775 0.022781 0.944537
C158 C 0.8295(10) -0.0343(7) 1.0035(7)
H125 H 0.870232 -0.059432 0.995227
C159 C 0.7891(12) -0.0464(7) 1.0456(7)
H126 H 0.802270 -0.079826 1.066195
C160 C 0.7294(11) -0.0097(9) 1.0577(6)
H127 H 0.701849 -0.018007 1.086473
C161 C 0.7102(9) 0.0391(8) 1.0276(7)
H128 H 0.669391 0.064207 1.035783

#END
####################################################################### 
# 
# 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_Ag29_Cs
_database_code_depnum_ccdc_archive 'CCDC 2298858'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/D4NR01691B 2024
loop_
_audit_author_name
_audit_author_address
'Rika Tanaka'
;Osaka Metropolitan University
Japan
;
_audit_update_record             
;
2023-10-03 deposited with the CCDC.	2024-06-26 downloaded from the CCDC.
;

_audit_creation_date             2022-11-11
_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
#-----------------------------------------------------------------------------#

_chemical_formula_moiety         
'C131 H98 Ag29 N P3 S24, C4 H10 O1, C4.75 H4.75 N0.95,C10 H10 Cs1 N2, C12.64 H12.64 Cs1 N2.53,C5.81 H8.13 Cs0.58 N1.16 O1.16 , C2.10 H2.94 Cs0.42 N0.42 O0.42, + solvent'

_chemical_formula_sum            
'C170.30 H146.46 Ag29 Cs3 N8.06 O2.58 P3 S24 + solvent'
_chemical_formula_weight         6736.39

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   18.8237(2)
_cell_length_b                   25.9820(5)
_cell_length_c                   27.2295(5)
_cell_angle_alpha                117.517(2)
_cell_angle_beta                 90.4220(10)
_cell_angle_gamma                90.8230(10)
_cell_volume                     11808.1(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    55628
_cell_measurement_theta_min      1.8860
_cell_measurement_theta_max      30.3080

_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.030
_exptl_crystal_description       Block
_exptl_crystal_colour            Red
_exptl_crystal_preparation       
'mounted on the CryoLoop with Palaton oil and placed in N2 stream at 110(2) K'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.895
_exptl_crystal_F_000             6405
_exptl_special_details           ?

_exptl_absorpt_coefficient_mu    3.070
_shelx_estimated_absorpt_T_min   0.413
_shelx_estimated_absorpt_T_max   0.914
_exptl_absorpt_correction_T_min  0.41847
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.578
_oxdiff_exptl_absorpt_empirical_full_max 2.037
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;

# EXPERIMENTAL DATA
_diffrn_radiation_wavelength     0.710747
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_detector       CCD
_diffrn_measurement_method       ω
_diffrn_measurement_device       'Saturn724+ (4x4 bin mode)'
_diffrn_measurement_device_type  'Rigaku AFC11 with Saturn 724+ CCD'
_diffrn_measurement_device_details 'AFC11 (Right): Eulerian 3 circle'
_diffrn_detector_area_resol_mean 7.111
_diffrn_ambient_temperature      110(2)
_diffrn_source_power             1.2000
_diffrn_source_voltage           50.0000
_diffrn_source_current           24.0000


_diffrn_reflns_number            133246
_diffrn_reflns_av_unetI/netI     0.0519
_diffrn_reflns_av_R_equivalents  0.0576
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_min         1.768
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measured_fraction_theta_full 0.962
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_Laue_measured_fraction_full 0.962
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_point_group_measured_fraction_full 0.962

_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -100.00  80.00   0.50    8.00    --  -10.00  45.00   0.00  360
  2  ω   -100.00  80.00   0.50    8.00    --  -10.00  45.00  70.00  360
  3  ω   -100.00  80.00   0.50    8.00    --  -10.00  45.00 140.00  360
  4  ω   -100.00  80.00   0.50    8.00    --  -10.00  45.00 210.00  360
  5  ω   -100.00  80.00   0.50    8.00    --  -10.00  45.00 280.00  360
  6  ω   -130.00  50.00   0.50   64.00    --  -40.00  45.00   0.00  360
  7  ω   -130.00  50.00   0.50   64.00    --  -40.00  45.00  70.00  360
  8  ω   -130.00  50.00   0.50   64.00    --  -40.00  45.00 140.00  360
  9  ω   -130.00  50.00   0.50   64.00    --  -40.00  45.00 210.00  360
 10  ω   -130.00  50.00   0.50   64.00    --  -40.00  45.00 280.00  360
;

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'


#--------- REFINEMENT INFORMATION ------------------
_reflns_number_total             40024
_reflns_number_gt                30088
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1006P)²+179.4674P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         40024
_refine_ls_number_parameters     2216
_refine_ls_number_restraints     757
_refine_ls_R_factor_all          0.0918
_refine_ls_R_factor_gt           0.0703
_refine_ls_wR_factor_ref         0.1982
_refine_ls_wR_factor_gt          0.1889
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

_refine_diff_density_max         4.583
_refine_diff_density_min         -1.646
_refine_diff_density_rms         0.242

_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.
;


#---------ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS-----------
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
Ag1 Ag 0.69584(4) 0.65976(4) 0.32092(3) 0.02510(19) Uani 1 1 d . . . . .
Ag2 Ag 0.81171(5) 0.64287(4) 0.37428(4) 0.0324(2) Uani 1 1 d . . . . .
Ag3 Ag 0.57559(4) 0.67294(4) 0.26814(4) 0.0287(2) Uani 1 1 d . . . . .
Ag4 Ag 0.81251(4) 0.61375(4) 0.25513(4) 0.0314(2) Uani 1 1 d . . . . .
Ag5 Ag 0.80816(5) 0.73728(4) 0.34013(4) 0.0324(2) Uani 1 1 d . . . . .
Ag6 Ag 0.72288(5) 0.74422(4) 0.42856(4) 0.0315(2) Uani 1 1 d . . . . .
Ag7 Ag 0.67131(5) 0.62386(4) 0.40060(4) 0.0299(2) Uani 1 1 d . . . . .
Ag8 Ag 0.72998(5) 0.54649(4) 0.29753(4) 0.0305(2) Uani 1 1 d . . . . .
Ag9 Ag 0.72261(5) 0.69125(4) 0.23811(4) 0.0307(2) Uani 1 1 d . . . . .
Ag10 Ag 0.66489(5) 0.77379(4) 0.34873(4) 0.0304(2) Uani 1 1 d . . . . .
Ag11 Ag 0.57531(4) 0.70381(4) 0.38280(4) 0.0284(2) Uani 1 1 d . . . . .
Ag12 Ag 0.57980(4) 0.58536(4) 0.30290(4) 0.0284(2) Uani 1 1 d . . . . .
Ag13 Ag 0.67367(5) 0.57783(4) 0.21256(4) 0.0291(2) Uani 1 1 d . . . . .
Ag14 Ag 0.94581(5) 0.66791(5) 0.32688(4) 0.0391(2) Uani 1 1 d . . . . .
Ag15 Ag 0.59945(5) 0.73275(4) 0.51511(4) 0.0355(2) Uani 1 1 d . . . . .
Ag16 Ag 0.60281(5) 0.44572(4) 0.20089(4) 0.0347(2) Uani 1 1 d . . . . .
Ag17 Ag 0.60172(5) 0.78863(4) 0.23392(4) 0.0368(2) Uani 1 1 d . . . . .
Ag18 Ag 0.86449(5) 0.86122(5) 0.40986(4) 0.0409(2) Uani 1 1 d . . . . .
Ag19 Ag 0.76049(5) 0.87617(4) 0.50581(4) 0.0381(2) Uani 1 1 d . . . . .
Ag20 Ag 0.71299(5) 0.90972(4) 0.41383(4) 0.0376(2) Uani 1 1 d . . . . .
Ag21 Ag 0.86729(5) 0.56891(5) 0.42406(4) 0.0425(3) Uani 1 1 d . . . . .
Ag22 Ag 0.71726(5) 0.54997(4) 0.45965(4) 0.0378(2) Uani 1 1 d . . . . .
Ag23 Ag 0.77243(5) 0.45985(5) 0.34333(4) 0.0386(2) Uani 1 1 d . . . . .
Ag24 Ag 0.86994(5) 0.56694(5) 0.13810(4) 0.0392(2) Uani 1 1 d . . . . .
Ag25 Ag 0.77371(5) 0.64976(5) 0.11511(4) 0.0375(2) Uani 1 1 d . . . . .
Ag26 Ag 0.71845(5) 0.52664(4) 0.08882(4) 0.0361(2) Uani 1 1 d . . . . .
Ag27 Ag 0.40492(5) 0.67869(4) 0.26319(4) 0.0325(2) Uani 1 1 d . . . . .
Ag28 Ag 0.40621(5) 0.70415(4) 0.38428(4) 0.0321(2) Uani 1 1 d . . . . .
Ag29 Ag 0.41042(5) 0.57449(4) 0.29276(4) 0.0316(2) Uani 1 1 d . . . . .
S1 S 0.93419(16) 0.64987(16) 0.41224(13) 0.0395(8) Uani 1 1 d . . . . .
S2 S 0.89121(17) 0.88594(16) 0.50759(14) 0.0436(8) Uani 1 1 d . . . . .
C1 C 0.9161(7) 0.7684(7) 0.4671(6) 0.0467(15) Uani 1 1 d . U . . .
H1 H 0.898008 0.763841 0.432611 0.056 Uiso 1 1 calc R U . . .
C2 C 0.9381(7) 0.7195(7) 0.4718(6) 0.0468(15) Uani 1 1 d . U . . .
C3 C 0.9653(7) 0.7257(7) 0.5224(6) 0.0471(15) Uani 1 1 d . U . . .
H2 H 0.978141 0.693048 0.527268 0.057 Uiso 1 1 calc R U . . .
C4 C 0.9722(7) 0.7815(7) 0.5647(6) 0.0474(15) Uani 1 1 d . U . . .
H3 H 0.994639 0.786900 0.598152 0.057 Uiso 1 1 calc R U . . .
C5 C 0.9490(7) 0.8300(7) 0.5620(6) 0.0473(15) Uani 1 1 d . U . . .
H4 H 0.952284 0.867159 0.593458 0.057 Uiso 1 1 calc R U . . .
C6 C 0.9205(7) 0.8233(7) 0.5122(6) 0.0470(15) Uani 1 1 d . U . . .
S3 S 0.50384(15) 0.71076(13) 0.21714(12) 0.0296(6) Uani 1 1 d . . . . .
S4 S 0.68599(17) 0.58680(15) 0.04460(13) 0.0373(7) Uani 1 1 d . . . . .
C7 C 0.5840(6) 0.6418(5) 0.1251(5) 0.028(3) Uani 1 1 d . . . . .
H5 H 0.614483 0.635213 0.149541 0.034 Uiso 1 1 calc R U . . .
C8 C 0.5215(7) 0.6719(5) 0.1455(5) 0.033(3) Uani 1 1 d . . . . .
C9 C 0.4748(7) 0.6787(6) 0.1072(6) 0.044(3) Uani 1 1 d . . . . .
H6 H 0.431515 0.698873 0.119415 0.053 Uiso 1 1 calc R U . . .
C10 C 0.4933(7) 0.6558(6) 0.0526(6) 0.044(3) Uani 1 1 d . . . . .
H7 H 0.461386 0.658655 0.026795 0.052 Uiso 1 1 calc R U . . .
C11 C 0.5568(7) 0.6290(6) 0.0346(5) 0.039(3) Uani 1 1 d . . . . .
H8 H 0.569596 0.615488 -0.002996 0.047 Uiso 1 1 calc R U . . .
C12 C 0.6028(7) 0.6214(6) 0.0708(5) 0.034(3) Uani 1 1 d . . . . .
S5 S 0.93595(17) 0.58239(16) 0.22666(14) 0.0418(8) Uani 1 1 d . . . . .
S6 S 0.90239(18) 0.46994(17) 0.35404(15) 0.0457(9) Uani 1 1 d . . . . .
C13 C 0.9224(7) 0.5184(7) 0.2836(6) 0.0487(15) Uani 1 1 d . U . . .
H9 H 0.904562 0.553172 0.312453 0.058 Uiso 1 1 calc R U . . .
C14 C 0.9426(7) 0.5177(7) 0.2339(6) 0.0488(15) Uani 1 1 d . U . . .
C15 C 0.9666(7) 0.4678(7) 0.1921(7) 0.0492(15) Uani 1 1 d . U . . .
H10 H 0.979901 0.466992 0.158193 0.059 Uiso 1 1 calc R U . . .
C16 C 0.9719(7) 0.4188(7) 0.1981(6) 0.0494(15) Uani 1 1 d . U . . .
H11 H 0.988385 0.384404 0.168058 0.059 Uiso 1 1 calc R U . . .
C17 C 0.9537(7) 0.4178(7) 0.2475(6) 0.0492(15) Uani 1 1 d . U . . .
H12 H 0.958481 0.383460 0.251301 0.059 Uiso 1 1 calc R U . . .
C18 C 0.9277(7) 0.4695(7) 0.2920(6) 0.0488(15) Uani 1 1 d . U . . .
S7 S 0.93244(16) 0.77176(15) 0.33985(14) 0.0389(8) Uani 1 1 d . . . . .
S8 S 0.90346(18) 0.64491(17) 0.11271(14) 0.0433(8) Uani 1 1 d . . . . .
C19 C 0.9205(7) 0.7170(6) 0.2265(6) 0.041(3) Uani 1 1 d . . . . .
H13 H 0.890986 0.689598 0.231144 0.049 Uiso 1 1 calc R U . . .
C20 C 0.9462(7) 0.7634(6) 0.2727(6) 0.041(3) Uani 1 1 d . . . . .
C21 C 0.9885(11) 0.8043(8) 0.2650(7) 0.073(6) Uani 1 1 d . . . . .
H14 H 1.006077 0.838367 0.296023 0.088 Uiso 1 1 calc R U . . .
C22 C 1.0035(15) 0.7948(11) 0.2140(9) 0.119(11) Uani 1 1 d . . . . .
H15 H 1.033852 0.821976 0.209710 0.143 Uiso 1 1 calc R U . . .
C23 C 0.9781(13) 0.7485(9) 0.1676(7) 0.090(8) Uani 1 1 d . . . . .
H16 H 0.989664 0.744300 0.132075 0.108 Uiso 1 1 calc R U . . .
C24 C 0.9347(7) 0.7072(6) 0.1726(6) 0.042(3) Uani 1 1 d . . . . .
S9 S 0.71463(16) 0.79670(14) 0.52961(13) 0.0344(7) Uani 1 1 d . . . . .
S10 S 0.82522(18) 0.59601(16) 0.51876(14) 0.0427(8) Uani 1 1 d . . . . .
C25 C 0.7821(6) 0.7023(6) 0.5300(5) 0.033(3) Uani 1 1 d . . . . .
H17 H 0.766197 0.681814 0.492514 0.039 Uiso 1 1 calc R U . . .
C26 C 0.7709(6) 0.7615(6) 0.5580(5) 0.034(3) Uani 1 1 d . . . . .
C27 C 0.7938(8) 0.7920(6) 0.6127(6) 0.045(3) Uani 1 1 d . . . . .
H18 H 0.785477 0.832390 0.633045 0.054 Uiso 1 1 calc R U . . .
C28 C 0.8295(8) 0.7631(7) 0.6382(6) 0.048(4) Uani 1 1 d . . . . .
H19 H 0.847076 0.784292 0.675150 0.057 Uiso 1 1 calc R U . . .
C29 C 0.8390(8) 0.7035(7) 0.6093(6) 0.051(4) Uani 1 1 d . . . . .
H20 H 0.861732 0.684096 0.627110 0.062 Uiso 1 1 calc R U . . .
C30 C 0.8151(7) 0.6711(6) 0.5531(5) 0.041(3) Uani 1 1 d . . . . .
S11 S 0.61875(16) 0.62337(14) 0.48223(12) 0.0312(7) Uani 1 1 d . . . . .
S12 S 0.35608(15) 0.61493(14) 0.38430(13) 0.0323(7) Uani 1 1 d . . . . .
C31 C 0.4848(6) 0.6092(5) 0.4315(5) 0.030(3) Uani 1 1 d . . . . .
H21 H 0.504872 0.628766 0.412737 0.035 Uiso 1 1 calc R U . . .
C32 C 0.5295(6) 0.5964(5) 0.4650(5) 0.030(3) Uani 1 1 d . . . . .
C33 C 0.5005(7) 0.5649(6) 0.4905(6) 0.040(3) Uani 1 1 d . . . . .
H22 H 0.529609 0.555158 0.513507 0.049 Uiso 1 1 calc R U . . .
C34 C 0.4299(7) 0.5482(7) 0.4823(5) 0.042(3) Uani 1 1 d . . . . .
H23 H 0.410388 0.526797 0.499482 0.051 Uiso 1 1 calc R U . . .
C35 C 0.3864(7) 0.5629(6) 0.4482(5) 0.038(3) Uani 1 1 d . . . . .
H24 H 0.337956 0.550406 0.442024 0.045 Uiso 1 1 calc R U . . .
C36 C 0.4137(6) 0.5953(5) 0.4238(5) 0.027(3) Uani 1 1 d . . . . .
S13 S 0.72117(16) 0.43993(14) 0.24877(13) 0.0331(7) Uani 1 1 d . . . . .
S14 S 0.82839(18) 0.46785(16) 0.07387(13) 0.0395(8) Uani 1 1 d . . . . .
C37 C 0.7870(6) 0.4480(6) 0.1615(5) 0.032(3) Uani 1 1 d . . . . .
H25 H 0.773172 0.487376 0.179174 0.038 Uiso 1 1 calc R U . . .
C38 C 0.7751(7) 0.4144(6) 0.1879(5) 0.039(3) Uani 1 1 d . . . . .
C39 C 0.7975(8) 0.3576(6) 0.1629(6) 0.047(4) Uani 1 1 d . . . . .
H26 H 0.791500 0.334065 0.180939 0.056 Uiso 1 1 calc R U . . .
C40 C 0.8283(9) 0.3355(7) 0.1123(7) 0.054(4) Uani 1 1 d . . . . .
H27 H 0.842398 0.296191 0.094817 0.065 Uiso 1 1 calc R U . . .
C41 C 0.8392(8) 0.3691(7) 0.0863(6) 0.050(4) Uani 1 1 d . . . . .
H28 H 0.861304 0.352794 0.051218 0.060 Uiso 1 1 calc R U . . .
C42 C 0.8185(6) 0.4262(6) 0.1103(5) 0.036(3) Uani 1 1 d . . . . .
S15 S 0.71877(17) 0.74476(14) 0.18377(13) 0.0346(7) Uani 1 1 d . . . . .
S16 S 0.82362(18) 0.92838(15) 0.37511(14) 0.0404(8) Uani 1 1 d . . . . .
C43 C 0.7823(9) 0.8368(7) 0.2753(7) 0.0581(18) Uani 1 1 d . U . . .
H29 H 0.757096 0.822557 0.296783 0.070 Uiso 1 1 calc R U . . .
C44 C 0.7790(9) 0.8057(7) 0.2180(7) 0.0587(18) Uani 1 1 d . U . . .
C45 C 0.8150(9) 0.8253(7) 0.1872(7) 0.0595(18) Uani 1 1 d . U . . .
H30 H 0.809351 0.806368 0.148020 0.071 Uiso 1 1 calc R U . . .
C46 C 0.8605(9) 0.8736(7) 0.2130(7) 0.0599(18) Uani 1 1 d . U . . .
H31 H 0.892144 0.883436 0.191491 0.072 Uiso 1 1 calc R U . . .
C47 C 0.8598(9) 0.9072(7) 0.2699(7) 0.0592(18) Uani 1 1 d . U . . .
H32 H 0.885445 0.943065 0.287080 0.071 Uiso 1 1 calc R U . . .
C48 C 0.8213(9) 0.8879(7) 0.3018(7) 0.0584(18) Uani 1 1 d . U . . .
S17 S 0.61846(16) 0.85613(14) 0.33909(13) 0.0338(7) Uani 1 1 d . . . . .
S18 S 0.35369(15) 0.76191(14) 0.34291(14) 0.0321(7) Uani 1 1 d . . . . .
C49 C 0.4841(6) 0.8178(5) 0.3484(5) 0.029(3) Uani 1 1 d . . . . .
H33 H 0.505620 0.781679 0.339279 0.035 Uiso 1 1 calc R U . . .
C50 C 0.5263(6) 0.8643(5) 0.3552(5) 0.031(3) Uani 1 1 d . . . . .
C51 C 0.4951(7) 0.9168(6) 0.3686(6) 0.042(3) Uani 1 1 d . . . . .
H34 H 0.523598 0.949407 0.373712 0.050 Uiso 1 1 calc R U . . .
C52 C 0.4228(8) 0.9216(6) 0.3744(7) 0.050(4) Uani 1 1 d . . . . .
H35 H 0.401493 0.957659 0.383009 0.060 Uiso 1 1 calc R U . . .
C53 C 0.3803(7) 0.8749(6) 0.3681(6) 0.038(3) Uani 1 1 d . . . . .
H36 H 0.330513 0.879607 0.373182 0.046 Uiso 1 1 calc R U . . .
C54 C 0.4094(7) 0.8220(5) 0.3546(5) 0.034(3) Uani 1 1 d . . . . .
S19 S 0.49740(15) 0.75367(13) 0.46252(13) 0.0303(6) Uani 1 1 d . . . . .
S20 S 0.67062(17) 0.94529(14) 0.50893(13) 0.0354(7) Uani 1 1 d . . . . .
C55 C 0.5757(6) 0.8531(5) 0.4838(5) 0.031(3) Uani 1 1 d . . . . .
H37 H 0.616198 0.829103 0.473396 0.037 Uiso 1 1 calc R U . . .
C56 C 0.5096(6) 0.8280(5) 0.4804(5) 0.030(3) Uani 1 1 d . . . . .
C57 C 0.4495(7) 0.8636(5) 0.4939(5) 0.035(3) Uani 1 1 d . . . . .
H38 H 0.403305 0.847076 0.490640 0.041 Uiso 1 1 calc R U . . .
C58 C 0.4580(7) 0.9213(6) 0.5114(7) 0.053(4) Uani 1 1 d . . . . .
H39 H 0.417392 0.945150 0.521000 0.064 Uiso 1 1 calc R U . . .
C59 C 0.5253(7) 0.9465(6) 0.5156(6) 0.047(4) Uani 1 1 d . . . . .
H40 H 0.530275 0.987053 0.527909 0.056 Uiso 1 1 calc R U . . .
C60 C 0.5850(7) 0.9120(6) 0.5018(5) 0.036(3) Uani 1 1 d . . . . .
S21 S 0.50494(15) 0.49771(13) 0.27270(12) 0.0285(6) Uani 1 1 d . . . . .
S22 S 0.68717(18) 0.44617(15) 0.40412(14) 0.0375(7) Uani 1 1 d . . . . .
C61 C 0.5865(6) 0.4726(5) 0.3434(5) 0.030(3) Uani 1 1 d . . . . .
H41 H 0.622641 0.495810 0.338764 0.036 Uiso 1 1 calc R U . . .
C62 C 0.5205(6) 0.4681(5) 0.3196(5) 0.029(3) Uani 1 1 d . . . . .
C63 C 0.4683(7) 0.4340(6) 0.3258(5) 0.038(3) Uani 1 1 d . . . . .
H42 H 0.422517 0.430804 0.309610 0.045 Uiso 1 1 calc R U . . .
C64 C 0.4827(8) 0.4042(7) 0.3558(6) 0.052(4) Uani 1 1 d . . . . .
H43 H 0.446857 0.380590 0.360203 0.062 Uiso 1 1 calc R U . . .
C65 C 0.5484(8) 0.4089(7) 0.3789(6) 0.048(4) Uani 1 1 d . . . . .
H44 H 0.558043 0.387854 0.398854 0.058 Uiso 1 1 calc R U . . .
C66 C 0.6011(7) 0.4433(5) 0.3743(4) 0.029(3) Uani 1 1 d . . . . .
S23 S 0.62741(16) 0.48973(14) 0.13397(12) 0.0318(7) Uani 1 1 d . . . . .
S24 S 0.36194(16) 0.57819(14) 0.21031(13) 0.0328(7) Uani 1 1 d . . . . .
C67 C 0.4941(6) 0.5367(5) 0.1659(5) 0.026(3) Uani 1 1 d . . . . .
H45 H 0.509762 0.548715 0.202943 0.032 Uiso 1 1 calc R U . . .
C68 C 0.5401(6) 0.5086(5) 0.1227(5) 0.028(3) Uani 1 1 d . . . . .
C69 C 0.5175(7) 0.4932(6) 0.0692(6) 0.040(3) Uani 1 1 d . . . . .
H46 H 0.548952 0.474534 0.039207 0.048 Uiso 1 1 calc R U . . .
C70 C 0.4486(7) 0.5051(6) 0.0594(5) 0.039(3) Uani 1 1 d . . . . .
H47 H 0.433288 0.494521 0.022569 0.047 Uiso 1 1 calc R U . . .
C71 C 0.4034(7) 0.5314(6) 0.1013(6) 0.043(3) Uani 1 1 d . . . . .
H48 H 0.356498 0.539070 0.093643 0.051 Uiso 1 1 calc R U . . .
C72 C 0.4239(6) 0.5475(5) 0.1552(5) 0.031(3) Uani 1 1 d . . . . .
P1 P 0.5627(2) 0.77314(16) 0.61435(15) 0.0408(8) Uani 1 1 d . . . . .
C73 C 0.5974(8) 0.7416(7) 0.6573(6) 0.049(4) Uani 1 1 d . . . . .
C74 C 0.5639(10) 0.7512(8) 0.7063(7) 0.063(5) Uani 1 1 d . . . . .
H49 H 0.522664 0.774246 0.717391 0.076 Uiso 1 1 calc R U . . .
C75 C 0.5907(11) 0.7268(10) 0.7397(8) 0.075(6) Uani 1 1 d . . . . .
H50 H 0.566751 0.731631 0.772121 0.090 Uiso 1 1 calc R U . . .
C76 C 0.6539(10) 0.6952(9) 0.7233(8) 0.073(6) Uani 1 1 d . . . . .
H51 H 0.674841 0.680103 0.745628 0.087 Uiso 1 1 calc R U . . .
C77 C 0.6848(9) 0.6866(8) 0.6750(8) 0.063(5) Uani 1 1 d . . . . .
H52 H 0.726852 0.664571 0.663967 0.075 Uiso 1 1 calc R U . . .
C78 C 0.6574(7) 0.7088(7) 0.6412(6) 0.046(3) Uani 1 1 d . . . . .
H53 H 0.679867 0.701362 0.607506 0.055 Uiso 1 1 calc R U . . .
C79 C 0.5876(9) 0.8503(6) 0.6526(6) 0.052(4) Uani 1 1 d . . . . .
C80 C 0.5783(13) 0.8832(7) 0.6259(7) 0.082(7) Uani 1 1 d . . . . .
H54 H 0.559135 0.865028 0.589290 0.099 Uiso 1 1 calc R U . . .
C81 C 0.5955(16) 0.9414(8) 0.6497(8) 0.105(9) Uani 1 1 d . . . . .
H55 H 0.587516 0.962444 0.629513 0.126 Uiso 1 1 calc R U . . .
C82 C 0.6234(16) 0.9688(10) 0.7010(12) 0.113(10) Uani 1 1 d . . . . .
H56 H 0.631578 1.009629 0.718941 0.136 Uiso 1 1 calc R U . . .
C83 C 0.6400(15) 0.9349(11) 0.7273(12) 0.120(10) Uani 1 1 d . . . . .
H57 H 0.664694 0.952059 0.761936 0.144 Uiso 1 1 calc R U . . .
C84 C 0.6201(12) 0.8756(9) 0.7027(9) 0.092(7) Uani 1 1 d . . . . .
H58 H 0.629702 0.853397 0.721492 0.110 Uiso 1 1 calc R U . . .
C85 C 0.4670(8) 0.7718(6) 0.6232(6) 0.041(3) Uani 1 1 d . . . . .
C86 C 0.4291(10) 0.8180(8) 0.6625(7) 0.061(4) Uani 1 1 d . . . . .
H59 H 0.452692 0.853203 0.687321 0.074 Uiso 1 1 calc R U . . .
C87 C 0.3564(10) 0.8114(10) 0.6646(9) 0.077(6) Uani 1 1 d . . . . .
H60 H 0.330620 0.843454 0.690688 0.093 Uiso 1 1 calc R U . . .
C88 C 0.3196(10) 0.7614(9) 0.6314(8) 0.067(5) Uani 1 1 d . . . . .
H61 H 0.269802 0.758302 0.635039 0.081 Uiso 1 1 calc R U . . .
C89 C 0.3566(9) 0.7157(8) 0.5924(9) 0.072(6) Uani 1 1 d . . . . .
H62 H 0.332502 0.680390 0.568628 0.087 Uiso 1 1 calc R U . . .
C90 C 0.4290(8) 0.7215(7) 0.5879(7) 0.052(4) Uani 1 1 d . . . . .
H63 H 0.453697 0.690241 0.559843 0.062 Uiso 1 1 calc R U . . .
P2 P 0.5580(2) 0.34466(16) 0.14133(14) 0.0399(8) Uani 1 1 d . . . . .
C91 C 0.5886(8) 0.3067(6) 0.0694(5) 0.043(3) Uani 1 1 d . . . . .
C92 C 0.5505(9) 0.2631(7) 0.0274(6) 0.051(4) Uani 1 1 d . . . . .
H64 H 0.505094 0.251911 0.034653 0.061 Uiso 1 1 calc R U . . .
C93 C 0.5777(11) 0.2349(8) -0.0260(7) 0.066(5) Uani 1 1 d . . . . .
H65 H 0.552173 0.203460 -0.054678 0.080 Uiso 1 1 calc R U . . .
C94 C 0.6414(11) 0.2532(8) -0.0365(7) 0.069(5) Uani 1 1 d . . . . .
H66 H 0.659957 0.234360 -0.072814 0.083 Uiso 1 1 calc R U . . .
C95 C 0.6797(10) 0.2991(8) 0.0053(7) 0.063(5) Uani 1 1 d . . . . .
H67 H 0.723877 0.311712 -0.002455 0.075 Uiso 1 1 calc R U . . .
C96 C 0.6529(8) 0.3259(7) 0.0577(6) 0.046(3) Uani 1 1 d . . . . .
H68 H 0.678218 0.357632 0.086178 0.055 Uiso 1 1 calc R U . . .
C97 C 0.4611(8) 0.3415(7) 0.1329(6) 0.048(4) Uani 1 1 d . . . . .
C98 C 0.4314(9) 0.3831(7) 0.1208(7) 0.059(4) Uani 1 1 d . . . . .
H69 H 0.461686 0.411661 0.118847 0.071 Uiso 1 1 calc R U . . .
C99 C 0.3604(9) 0.3843(8) 0.1116(8) 0.071(5) Uani 1 1 d . . . . .
H70 H 0.341560 0.412829 0.102804 0.085 Uiso 1 1 calc R U . . .
C100 C 0.3152(12) 0.3423(11) 0.1152(9) 0.090(7) Uani 1 1 d . . . . .
H71 H 0.265345 0.342813 0.110039 0.108 Uiso 1 1 calc R U . . .
C101 C 0.3450(11) 0.3005(11) 0.1266(8) 0.083(7) Uani 1 1 d . . . . .
H72 H 0.315110 0.272345 0.129520 0.100 Uiso 1 1 calc R U . . .
C102 C 0.4178(10) 0.2991(9) 0.1336(8) 0.070(5) Uani 1 1 d . . . . .
H73 H 0.437655 0.268668 0.139022 0.083 Uiso 1 1 calc R U . . .
C103 C 0.5770(10) 0.2943(7) 0.1700(7) 0.058(4) Uani 1 1 d . . . . .
C104 C 0.5860(7) 0.3163(6) 0.2255(5) 0.039(3) Uani 1 1 d . . . . .
H74 H 0.580891 0.356749 0.248705 0.046 Uiso 1 1 calc R U . . .
C105 C 0.6023(10) 0.2806(8) 0.2485(7) 0.067(5) Uani 1 1 d . . . . .
H75 H 0.611933 0.297024 0.287186 0.080 Uiso 1 1 calc R U . . .
C106 C 0.6050(16) 0.2212(10) 0.2164(9) 0.104(9) Uani 1 1 d . . . . .
H76 H 0.614726 0.196925 0.233005 0.125 Uiso 1 1 calc R U . . .
C107 C 0.5935(19) 0.1974(11) 0.1601(9) 0.127(12) Uani 1 1 d . . . . .
H77 H 0.595152 0.156606 0.137450 0.152 Uiso 1 1 calc R U . . .
C108 C 0.5796(16) 0.2338(9) 0.1370(9) 0.103(9) Uani 1 1 d . . . . .
H78 H 0.571538 0.217627 0.098192 0.123 Uiso 1 1 calc R U . . .
P3 P 0.5652(2) 0.85857(16) 0.20015(16) 0.0439(9) Uani 1 1 d . . . . .
C109 C 0.5980(9) 0.8423(7) 0.1311(7) 0.057(4) Uani 1 1 d . . . . .
C110 C 0.6036(8) 0.7857(7) 0.0926(6) 0.051(4) Uani 1 1 d . . . . .
H79 H 0.592081 0.755823 0.102142 0.062 Uiso 1 1 calc R U . . .
C111 C 0.6260(11) 0.7715(11) 0.0396(7) 0.088(7) Uani 1 1 d . . . . .
H80 H 0.630721 0.731802 0.013513 0.106 Uiso 1 1 calc R U . . .
C112 C 0.6416(14) 0.8143(14) 0.0240(12) 0.110(9) Uani 1 1 d . . . . .
H81 H 0.655647 0.804492 -0.012696 0.132 Uiso 1 1 calc R U . . .
C113 C 0.6361(17) 0.8700(14) 0.0624(12) 0.120(10) Uani 1 1 d . . . . .
H82 H 0.648334 0.899321 0.052100 0.144 Uiso 1 1 calc R U . . .
C114 C 0.6137(14) 0.8876(10) 0.1165(10) 0.093(7) Uani 1 1 d . . . . .
H83 H 0.609059 0.927375 0.142211 0.111 Uiso 1 1 calc R U . . .
C115 C 0.6020(10) 0.9311(7) 0.2454(7) 0.061(5) Uani 1 1 d . . . . .
C116 C 0.6736(13) 0.9371(9) 0.2543(12) 0.109(9) Uani 1 1 d . . . . .
H84 H 0.704057 0.905403 0.234577 0.131 Uiso 1 1 calc R U . . .
C117 C 0.7007(16) 0.9898(10) 0.2924(14) 0.146(15) Uani 1 1 d . . . . .
H85 H 0.750958 0.993259 0.296339 0.175 Uiso 1 1 calc R U . . .
C118 C 0.666(2) 1.0349(11) 0.3231(14) 0.142(15) Uani 1 1 d . . . . .
H86 H 0.689366 1.070340 0.347372 0.170 Uiso 1 1 calc R U . . .
C119 C 0.589(2) 1.0299(9) 0.3196(11) 0.138(14) Uani 1 1 d . . . . .
H87 H 0.560669 1.061248 0.343807 0.165 Uiso 1 1 calc R U . . .
C120 C 0.5560(13) 0.9761(8) 0.2785(8) 0.077(6) Uani 1 1 d . . . . .
H88 H 0.505823 0.971382 0.274001 0.092 Uiso 1 1 calc R U . . .
C121 C 0.4701(8) 0.8675(6) 0.1946(6) 0.048(4) Uani 1 1 d . . . . .
C122 C 0.4400(11) 0.8927(8) 0.1658(7) 0.072(5) Uani 1 1 d . . . . .
H89 H 0.470096 0.906855 0.146640 0.086 Uiso 1 1 calc R U . . .
C123 C 0.3668(15) 0.8988(10) 0.1634(9) 0.097(9) Uani 1 1 d . . . . .
H90 H 0.346949 0.916712 0.143042 0.117 Uiso 1 1 calc R U . . .
C124 C 0.3247(14) 0.8782(10) 0.1910(10) 0.090(7) Uani 1 1 d . . . . .
H91 H 0.274677 0.880802 0.188518 0.108 Uiso 1 1 calc R U . . .
C125 C 0.3519(11) 0.8532(9) 0.2229(8) 0.078(6) Uani 1 1 d . . . . .
H92 H 0.321459 0.840589 0.243016 0.094 Uiso 1 1 calc R U . . .
C126 C 0.4254(9) 0.8477(7) 0.2239(8) 0.060(5) Uani 1 1 d . . . . .
H93 H 0.445604 0.830360 0.244566 0.073 Uiso 1 1 calc R U . . .
N1 N 1.0711(7) 0.6607(7) 0.3215(7) 0.0707(19) Uani 1 1 d . U . . .
C127 C 1.1024(9) 0.6159(9) 0.3232(8) 0.0709(19) Uani 1 1 d . U . . .
H94 H 1.074297 0.588399 0.328696 0.085 Uiso 1 1 calc R U . . .
C128 C 1.1749(9) 0.6087(9) 0.3171(8) 0.0711(19) Uani 1 1 d . U . . .
H95 H 1.195807 0.575925 0.317717 0.085 Uiso 1 1 calc R U . . .
C129 C 1.2166(9) 0.6480(9) 0.3103(8) 0.0713(19) Uani 1 1 d . U . . .
H96 H 1.266941 0.646415 0.310726 0.086 Uiso 1 1 calc R U . . .
C130 C 1.1832(9) 0.6891(9) 0.3031(8) 0.0715(19) Uani 1 1 d . U . . .
H97 H 1.209339 0.714096 0.292866 0.086 Uiso 1 1 calc R U . . .
C131 C 1.1115(9) 0.6952(9) 0.3103(8) 0.0712(19) Uani 1 1 d . U . . .
H98 H 1.089792 0.726320 0.307070 0.085 Uiso 1 1 calc R U . . .
Cs1 Cs 1.06069(9) 0.43160(8) 0.39286(6) 0.0549(5) Uani 0.734(3) 1 d . . P A 1
Cs1B Cs 1.0350(3) 0.4160(2) 0.40537(19) 0.0549(5) Uani 0.266(3) 1 d . . P A 2
N2 N 0.9324(8) 0.4415(7) 0.4811(8) 0.080(5) Uani 1 1 d . . . . .
C132 C 0.9509(11) 0.4215(8) 0.5152(9) 0.078(6) Uani 1 1 d . . . . .
H99 H 0.999710 0.413941 0.517364 0.093 Uiso 1 1 calc R U . A 2
C133 C 0.9043(11) 0.4105(9) 0.5485(8) 0.078(6) Uani 1 1 d . . . . .
H100 H 0.921670 0.398620 0.574498 0.094 Uiso 1 1 calc R U . . .
C134 C 0.8319(11) 0.4171(10) 0.5436(8) 0.083(6) Uani 1 1 d . . . . .
H101 H 0.798273 0.409118 0.565113 0.099 Uiso 1 1 calc R U . . .
C135 C 0.8112(10) 0.4359(9) 0.5055(7) 0.070(5) Uani 1 1 d . . . . .
H102 H 0.762238 0.439915 0.499458 0.084 Uiso 1 1 calc R U . . .
C136 C 0.8613(9) 0.4482(7) 0.4772(7) 0.057(4) Uani 1 1 d . . . . .
H103 H 0.845895 0.462753 0.452725 0.069 Uiso 1 1 calc R U . A 2
N3 N 1.1778(10) 0.4572(9) 0.3213(7) 0.101(4) Uani 0.734(3) 1 d G U P A 1
C137 C 1.2510(10) 0.4581(10) 0.3154(7) 0.101(4) Uani 0.734(3) 1 d G U P A 1
H104 H 1.281820 0.457233 0.342750 0.121 Uiso 0.734(3) 1 calc R U P A 1
C138 C 1.2792(8) 0.4603(10) 0.2693(9) 0.101(4) Uani 0.734(3) 1 d G U P A 1
H105 H 1.329251 0.460984 0.265247 0.121 Uiso 0.734(3) 1 calc R U P A 1
C139 C 1.2342(11) 0.4616(10) 0.2292(7) 0.101(4) Uani 0.734(3) 1 d G U P A 1
H106 H 1.253432 0.463145 0.197764 0.121 Uiso 0.734(3) 1 calc R U P A 1
C140 C 1.1610(10) 0.4607(10) 0.2352(7) 0.101(4) Uani 0.734(3) 1 d G U P A 1
H107 H 1.130183 0.461556 0.207783 0.122 Uiso 0.734(3) 1 calc R U P A 1
C141 C 1.1328(7) 0.4585(10) 0.2812(8) 0.101(4) Uani 0.734(3) 1 d G U P A 1
H108 H 1.082751 0.457806 0.285286 0.122 Uiso 0.734(3) 1 calc R U P A 1
N4 N 1.061(3) 0.3128(19) 0.2877(15) 0.084(5) Uani 0.266(3) 1 d G U P A 2
C142 C 1.123(2) 0.310(2) 0.2590(19) 0.084(5) Uani 0.266(3) 1 d G U P A 2
H109 H 1.162864 0.334465 0.277877 0.101 Uiso 0.266(3) 1 calc R U P A 2
C143 C 1.127(2) 0.272(2) 0.2028(19) 0.084(5) Uani 0.266(3) 1 d G U P A 2
H110 H 1.168916 0.270306 0.183212 0.101 Uiso 0.266(3) 1 calc R U P A 2
C144 C 1.069(3) 0.237(2) 0.1753(15) 0.084(5) Uani 0.266(3) 1 d G U P A 2
H111 H 1.071036 0.210479 0.136823 0.101 Uiso 0.266(3) 1 calc R U P A 2
C145 C 1.007(2) 0.239(2) 0.204(2) 0.084(5) Uani 0.266(3) 1 d G U P A 2
H112 H 0.967104 0.214812 0.185098 0.101 Uiso 0.266(3) 1 calc R U P A 2
C146 C 1.003(2) 0.277(2) 0.2602(19) 0.084(5) Uani 0.266(3) 1 d G U P A 2
H113 H 0.961051 0.278971 0.279764 0.101 Uiso 0.266(3) 1 calc R U P A 2
Cs2 Cs 0.96678(5) 0.39961(6) -0.01425(5) 0.0676(3) Uani 1 1 d D . . . .
N5 N 0.8392(12) 0.3446(10) -0.1011(9) 0.118(3) Uani 1 1 d . U . . .
C147 C 0.8386(15) 0.3096(12) -0.1560(12) 0.119(3) Uani 1 1 d . U . . .
H114 H 0.881794 0.298612 -0.175677 0.142 Uiso 1 1 calc R U . . .
C148 C 0.7721(15) 0.2893(13) -0.1843(12) 0.118(3) Uani 1 1 d . U . . .
H115 H 0.771130 0.260616 -0.221987 0.142 Uiso 1 1 calc R U . . .
C149 C 0.7153(15) 0.3088(13) -0.1601(12) 0.118(3) Uani 1 1 d . U . . .
H116 H 0.671455 0.295437 -0.179726 0.142 Uiso 1 1 calc R U . . .
C150 C 0.7156(15) 0.3464(12) -0.1096(12) 0.118(3) Uani 1 1 d . U . . .
H117 H 0.671591 0.362021 -0.092784 0.142 Uiso 1 1 calc R U . . .
C151 C 0.7753(14) 0.3650(13) -0.0788(12) 0.118(3) Uani 1 1 d . U . . .
H118 H 0.772760 0.392806 -0.040886 0.142 Uiso 1 1 calc R U . . .
N6 N 1.0803(5) 0.5040(6) 0.0548(4) 0.064(5) Uani 0.91(2) 1 d DG . P B 1
C152 C 1.1486(6) 0.4842(6) 0.0382(3) 0.053(5) Uani 0.91(2) 1 d G . P B 1
H119 H 1.158485 0.461922 -0.000005 0.064 Uiso 0.91(2) 1 calc R U P B 1
C153 C 1.2024(4) 0.4971(7) 0.0776(5) 0.078(7) Uani 0.91(2) 1 d G . P B 1
H120 H 1.249072 0.483556 0.066335 0.093 Uiso 0.91(2) 1 calc R U P B 1
C154 C 1.1879(5) 0.5297(7) 0.1336(4) 0.083(8) Uani 0.91(2) 1 d G . P B 1
H121 H 1.224710 0.538449 0.160497 0.100 Uiso 0.91(2) 1 calc R U P B 1
C155 C 1.1197(6) 0.5494(7) 0.1501(3) 0.076(7) Uani 0.91(2) 1 d G . P B 1
H122 H 1.109760 0.571708 0.188320 0.091 Uiso 0.91(2) 1 calc R U P B 1
C156 C 1.0658(4) 0.5366(6) 0.1107(5) 0.071(6) Uani 0.91(2) 1 d G . P B 1
H123 H 1.019172 0.550075 0.121981 0.085 Uiso 0.91(2) 1 calc R U P B 1
N7 N 0.927(2) 0.2635(10) -0.0378(13) 0.131(5) Uani 0.5284 1 d G U P B .
C157 C 0.8717(18) 0.2368(15) -0.0753(15) 0.131(5) Uani 0.5284 1 d G U P . .
H124 H 0.832523 0.259008 -0.076333 0.157 Uiso 0.5284 1 calc R U P B .
C158 C 0.8733(18) 0.1777(16) -0.1113(13) 0.131(5) Uani 0.5284 1 d G U P B .
H125 H 0.835194 0.159476 -0.136960 0.157 Uiso 0.5284 1 calc R U P . .
C159 C 0.931(2) 0.1453(10) -0.1099(13) 0.131(5) Uani 0.5284 1 d G U P . .
H126 H 0.931666 0.104873 -0.134482 0.157 Uiso 0.5284 1 calc R U P B .
C160 C 0.9863(19) 0.1720(15) -0.0724(15) 0.131(5) Uani 0.5284 1 d G U P B .
H127 H 1.025467 0.149802 -0.071377 0.157 Uiso 0.5284 1 calc R U P . .
C161 C 0.9847(18) 0.2311(16) -0.0364(13) 0.131(5) Uani 0.5284 1 d G U P . .
H128 H 1.022798 0.249334 -0.010750 0.157 Uiso 0.5284 1 calc R U P B .
N8 N 1.101(5) 0.488(5) 0.043(5) 0.064(5) Uani 0.09(2) 1 d DG . P B 2
C162 C 1.151(6) 0.454(5) 0.051(5) 0.053(5) Uani 0.09(2) 1 d G . P B 2
H129 H 1.163263 0.417433 0.021673 0.064 Uiso 0.09(2) 1 calc R U P B 2
C163 C 1.184(6) 0.473(7) 0.103(6) 0.078(7) Uani 0.09(2) 1 d G . P B 2
H130 H 1.218556 0.450192 0.108493 0.093 Uiso 0.09(2) 1 calc R U P B 2
C164 C 1.167(9) 0.527(7) 0.146(4) 0.083(8) Uani 0.09(2) 1 d G . P B 2
H131 H 1.188952 0.540057 0.181434 0.100 Uiso 0.09(2) 1 calc R U P B 2
C165 C 1.116(9) 0.561(6) 0.138(5) 0.076(7) Uani 0.09(2) 1 d G . P B 2
H132 H 1.104055 0.597164 0.167555 0.091 Uiso 0.09(2) 1 calc R U P B 2
C166 C 1.083(6) 0.541(5) 0.086(6) 0.071(6) Uani 0.09(2) 1 d G . P B 2
H133 H 1.048761 0.564406 0.080736 0.085 Uiso 0.09(2) 1 calc R U P B 2
Cs3 Cs 0.99277(13) 0.99734(13) 0.41003(10) 0.0704(9) Uani 0.581(5) 1 d . . P C
1
Cs3B Cs 0.95900(17) 1.03742(18) 0.42499(12) 0.0627(14) Uani 0.419(5) 1 d . . P
C 2
N9 N 1.0953(8) 0.9408(7) 0.4677(9) 0.063(7) Uani 0.581(5) 1 d G . P C 1
C167 C 1.1656(9) 0.9598(6) 0.4803(8) 0.050(6) Uani 0.581(5) 1 d G . P C 1
H134 H 1.176723 1.000155 0.499408 0.060 Uiso 0.581(5) 1 calc R U P C 1
C168 C 1.2197(7) 0.9197(8) 0.4650(10) 0.055(7) Uani 0.581(5) 1 d G . P C 1
H135 H 1.267766 0.932604 0.473572 0.066 Uiso 0.581(5) 1 calc R U P C 1
C169 C 1.2034(10) 0.8606(8) 0.4370(11) 0.071(8) Uani 0.581(5) 1 d G . P C 1
H136 H 1.240382 0.833167 0.426505 0.085 Uiso 0.581(5) 1 calc R U P C 1
C170 C 1.1331(11) 0.8416(6) 0.4244(11) 0.085(13) Uani 0.581(5) 1 d G . P C 1
H137 H 1.121955 0.801279 0.405272 0.102 Uiso 0.581(5) 1 calc R U P C 1
C171 C 1.0790(8) 0.8818(8) 0.4397(11) 0.074(9) Uani 0.581(5) 1 d G . P C 1
H138 H 1.030910 0.868829 0.431107 0.089 Uiso 0.581(5) 1 calc R U P C 1
N10 N 1.0917(12) 0.9479(13) 0.2954(10) 0.111(5) Uani 0.581(5) 1 d G U P C 1
C172 C 1.1137(15) 1.0058(11) 0.3224(11) 0.111(5) Uani 0.581(5) 1 d G U P C 1
H139 H 1.084037 1.034943 0.322078 0.133 Uiso 0.581(5) 1 calc R U P C 1
C173 C 1.1791(16) 1.0212(10) 0.3499(11) 0.111(5) Uani 0.581(5) 1 d G U P C 1
H140 H 1.194182 1.060752 0.368326 0.133 Uiso 0.581(5) 1 calc R U P C 1
C174 C 1.2226(12) 0.9786(14) 0.3504(11) 0.111(5) Uani 0.581(5) 1 d G U P C 1
H141 H 1.267271 0.989055 0.369157 0.133 Uiso 0.581(5) 1 calc R U P C 1
C175 C 1.2005(15) 0.9207(12) 0.3234(12) 0.111(5) Uani 0.581(5) 1 d G U P C 1
H142 H 1.230216 0.891549 0.323739 0.133 Uiso 0.581(5) 1 calc R U P C 1
C176 C 1.1351(16) 0.9053(10) 0.2959(10) 0.111(5) Uani 0.581(5) 1 d G U P C 1
H143 H 1.120071 0.865739 0.277490 0.133 Uiso 0.581(5) 1 calc R U P C 1
N11 N 1.0815(11) 0.9590(10) 0.4478(12) 0.063(7) Uani 0.419(5) 1 d G . P C 2
C177 C 1.1525(13) 0.9734(9) 0.4629(12) 0.050(6) Uani 0.419(5) 1 d G . P C 2
H144 H 1.167449 1.012980 0.481751 0.060 Uiso 0.419(5) 1 calc R U P C 2
C178 C 1.2017(11) 0.9298(13) 0.4503(15) 0.055(7) Uani 0.419(5) 1 d G . P C 2
H145 H 1.250247 0.939649 0.460606 0.066 Uiso 0.419(5) 1 calc R U P C 2
C179 C 1.1798(15) 0.8719(11) 0.4227(16) 0.071(8) Uani 0.419(5) 1 d G . P C 2
H146 H 1.213448 0.842126 0.414100 0.085 Uiso 0.419(5) 1 calc R U P C 2
C180 C 1.1088(17) 0.8575(9) 0.4076(16) 0.085(13) Uani 0.419(5) 1 d G . P C 2
H147 H 1.093850 0.817933 0.388738 0.102 Uiso 0.419(5) 1 calc R U P C 2
C181 C 1.0596(11) 0.9011(12) 0.4202(15) 0.074(9) Uani 0.419(5) 1 d G . P C 2
H148 H 1.011051 0.891262 0.409883 0.089 Uiso 0.419(5) 1 calc R U P C 2
O1 O 0.8567(17) 1.0598(12) 0.3854(14) 0.122(7) Uani 0.581(5) 1 d . . P C 1
O2 O 0.9694(18) 1.0419(13) 0.3146(14) 0.122(7) Uani 0.581(5) 1 d . . P C 1
O3 O 0.921(3) 1.0719(18) 0.3203(19) 0.122(7) Uani 0.419(5) 1 d . . P C 2
N12 N 0.8040(15) 1.1652(13) 0.4476(11) 0.137(4) Uani 0.95(2) 1 d . U P . .
C182 C 0.8613(19) 1.1964(16) 0.4790(13) 0.137(4) Uani 0.95(2) 1 d . U P . .
H149 H 0.908432 1.182417 0.473428 0.165 Uiso 0.95(2) 1 calc R U P . .
C183 C 0.8419(18) 1.2535(16) 0.5219(13) 0.137(4) Uani 0.95(2) 1 d . U P . .
H150 H 0.878192 1.279624 0.544559 0.165 Uiso 0.95(2) 1 calc R U P . .
C184 C 0.7751(18) 1.2698(17) 0.5303(14) 0.137(4) Uani 0.95(2) 1 d . U P . .
H151 H 0.763291 1.307038 0.558822 0.165 Uiso 0.95(2) 1 calc R U P . .
C185 C 0.7271(19) 1.2349(17) 0.4994(14) 0.137(4) Uani 0.95(2) 1 d . U P . .
H152 H 0.679453 1.247743 0.503904 0.165 Uiso 0.95(2) 1 calc R U P . .
C186 C 0.7391(18) 1.1855(17) 0.4642(14) 0.137(4) Uani 0.95(2) 1 d . U P . .
H153 H 0.699672 1.159915 0.447451 0.165 Uiso 0.95(2) 1 calc R U P . .
O4 O 0.8436(11) 0.2740(8) 0.3066(8) 0.132(8) Uani 1 1 d . . . . .
C187 C 0.806(2) 0.2931(13) 0.2713(14) 0.20(2) Uani 1 1 d . . . . .
H154 H 0.834931 0.321532 0.265132 0.236 Uiso 1 1 calc R U . . .
H155 H 0.760396 0.311165 0.288163 0.236 Uiso 1 1 calc R U . . .
C188 C 0.792(3) 0.239(2) 0.2178(18) 0.23(3) Uani 1 1 d . . . . .
H156 H 0.766888 0.248676 0.191772 0.352 Uiso 1 1 calc R U . . .
H157 H 0.837930 0.221532 0.201836 0.352 Uiso 1 1 calc R U . . .
H158 H 0.763848 0.211228 0.224727 0.352 Uiso 1 1 calc R U . . .
C189 C 0.8445(13) 0.3169(10) 0.3614(11) 0.100(8) Uani 1 1 d . . . . .
H159 H 0.795671 0.324883 0.375869 0.119 Uiso 1 1 calc R U . . .
H160 H 0.866179 0.353283 0.364547 0.119 Uiso 1 1 calc R U . . .
C190 C 0.8887(14) 0.2934(11) 0.3931(12) 0.118(10) Uani 1 1 d . . . . .
H161 H 0.891166 0.322064 0.432333 0.177 Uiso 1 1 calc R U . . .
H162 H 0.866613 0.257344 0.389404 0.177 Uiso 1 1 calc R U . . .
H163 H 0.936738 0.285589 0.378144 0.177 Uiso 1 1 calc R U . . .




#--------------MOLECULAR GEOMETRY------------------
_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
Ag1 Ag13 2.7502(12) . ?
Ag1 Ag4 2.7598(12) . ?
Ag1 Ag2 2.7625(11) . ?
Ag1 Ag11 2.7651(12) . ?
Ag1 Ag7 2.7682(12) . ?
Ag1 Ag6 2.7692(12) . ?
Ag1 Ag10 2.7702(13) . ?
Ag1 Ag5 2.7728(12) . ?
Ag1 Ag9 2.7779(13) . ?
Ag1 Ag12 2.7812(12) . ?
Ag1 Ag3 2.7812(11) . ?
Ag1 Ag8 2.7943(13) . ?
Ag2 S1 2.489(3) . ?
Ag2 Ag8 2.8306(13) . ?
Ag2 Ag7 2.8390(13) . ?
Ag2 Ag6 2.9122(13) . ?
Ag2 Ag4 2.9718(13) . ?
Ag2 Ag5 2.9994(14) . ?
Ag2 Ag21 3.0116(14) . ?
Ag2 Ag14 3.0392(14) . ?
Ag3 S3 2.447(3) . ?
Ag3 Ag12 2.8413(13) . ?
Ag3 Ag11 2.8421(13) . ?
Ag3 Ag13 2.9193(13) . ?
Ag3 Ag9 2.9848(13) . ?
Ag3 Ag10 3.0022(13) . ?
Ag3 Ag27 3.2228(12) . ?
Ag4 S5 2.482(3) . ?
Ag4 Ag13 2.8161(12) . ?
Ag4 Ag9 2.8429(13) . ?
Ag4 Ag8 2.9348(14) . ?
Ag4 Ag5 2.9684(13) . ?
Ag4 Ag24 3.0511(13) . ?
Ag4 Ag14 3.0626(12) . ?
Ag5 S7 2.494(3) . ?
Ag5 Ag6 2.8411(13) . ?
Ag5 Ag10 2.8472(12) . ?
Ag5 Ag9 2.9240(12) . ?
Ag5 Ag18 3.0532(14) . ?
Ag5 Ag14 3.1048(13) . ?
Ag6 S9 2.449(3) . ?
Ag6 Ag10 2.8355(13) . ?
Ag6 Ag7 3.0006(14) . ?
Ag6 Ag11 3.0046(12) . ?
Ag6 Ag19 3.1504(14) . ?
Ag7 S11 2.445(3) . ?
Ag7 Ag8 2.8343(13) . ?
Ag7 Ag12 2.9102(12) . ?
Ag7 Ag11 2.9733(12) . ?
Ag7 Ag22 3.1463(13) . ?
Ag8 S13 2.458(3) . ?
Ag8 Ag13 2.9781(12) . ?
Ag8 Ag12 2.9975(12) . ?
Ag8 Ag23 3.1452(13) . ?
Ag9 S15 2.456(3) . ?
Ag9 Ag13 2.8346(13) . ?
Ag9 Ag10 2.9997(13) . ?
Ag9 Ag25 3.1696(13) . ?
Ag10 S17 2.445(3) . ?
Ag10 Ag11 2.9162(13) . ?
Ag10 Ag20 3.2458(13) . ?
Ag11 S19 2.458(3) . ?
Ag11 Ag12 2.8346(13) . ?
Ag11 Ag28 3.1837(12) . ?
Ag11 Ag15 3.3487(13) . ?
Ag12 S21 2.451(3) . ?
Ag12 Ag13 2.9733(13) . ?
Ag12 Ag29 3.1953(12) . ?
Ag13 S23 2.443(3) . ?
Ag13 Ag26 3.1249(13) . ?
Ag14 N1 2.368(13) . ?
Ag14 S7 2.571(4) . ?
Ag14 S1 2.585(4) . ?
Ag14 S5 2.607(4) . ?
Ag15 P1 2.512(4) . ?
Ag15 S11 2.587(3) . ?
Ag15 S19 2.597(3) . ?
Ag15 S9 2.626(3) . ?
Ag16 P2 2.493(4) . ?
Ag16 S21 2.593(3) . ?
Ag16 S23 2.601(3) . ?
Ag16 S13 2.614(3) . ?
Ag17 P3 2.488(4) . ?
Ag17 S15 2.588(3) . ?
Ag17 S17 2.589(3) . ?
Ag17 S3 2.593(3) . ?
Ag18 S16 2.467(4) . ?
Ag18 S2 2.478(4) . ?
Ag18 S7 2.589(4) . ?
Ag18 Ag20 3.1168(14) . ?
Ag18 Ag19 3.1574(15) . ?
Ag18 Cs3 4.252(2) . ?
Ag19 S20 2.458(3) . ?
Ag19 S2 2.468(3) . ?
Ag19 S9 2.573(4) . ?
Ag19 Ag20 3.1368(15) . ?
Ag20 S20 2.457(3) . ?
Ag20 S16 2.482(4) . ?
Ag20 S17 2.550(3) . ?
Ag21 S10 2.478(4) . ?
Ag21 S6 2.494(4) . ?
Ag21 S1 2.583(4) . ?
Ag21 Ag22 3.0980(15) . ?
Ag21 Ag23 3.1766(15) . ?
Ag22 S22 2.461(4) . ?
Ag22 S10 2.501(3) . ?
Ag22 S11 2.547(3) . ?
Ag22 Ag23 3.1398(14) . ?
Ag23 S22 2.451(4) . ?
Ag23 S6 2.457(4) . ?
Ag23 S13 2.559(3) . ?
Ag24 S14 2.462(4) . ?
Ag24 S8 2.499(4) . ?
Ag24 S5 2.563(3) . ?
Ag24 Ag26 3.0965(14) . ?
Ag24 Ag25 3.1055(15) . ?
Ag25 S8 2.447(4) . ?
Ag25 S4 2.462(3) . ?
Ag25 S15 2.549(3) . ?
Ag25 Ag26 3.0994(15) . ?
Ag26 S4 2.454(4) . ?
Ag26 S14 2.512(3) . ?
Ag26 S23 2.538(3) . ?
Ag27 S24 2.448(3) . ?
Ag27 S18 2.464(3) . ?
Ag27 S3 2.586(3) . ?
Ag27 Ag28 3.0484(13) . ?
Ag27 Ag29 3.1636(13) . ?
Ag28 S18 2.467(3) . ?
Ag28 S12 2.490(3) . ?
Ag28 S19 2.547(3) . ?
Ag28 Ag29 3.1336(14) . ?
Ag29 S12 2.452(3) . ?
Ag29 S24 2.461(3) . ?
Ag29 S21 2.560(3) . ?
S1 C2 1.787(15) . ?
S2 C6 1.783(16) . ?
S2 Cs3B 3.416(4) 2_776 ?
S2 Cs3 3.528(4) 2_776 ?
C1 C6 1.39(2) . ?
C1 C2 1.40(2) . ?
C1 H1 0.9500 . ?
C2 C3 1.40(2) . ?
C3 C4 1.38(2) . ?
C3 H2 0.9500 . ?
C4 C5 1.37(2) . ?
C4 H3 0.9500 . ?
C5 C6 1.39(2) . ?
C5 Cs3B 3.700(16) 2_776 ?
C5 H4 0.9500 . ?
C6 Cs3B 3.893(15) 2_776 ?
S3 C8 1.771(13) . ?
S4 C12 1.798(13) . ?
C7 C12 1.373(17) . ?
C7 C8 1.393(17) . ?
C7 H5 0.9500 . ?
C8 C9 1.433(17) . ?
C9 C10 1.37(2) . ?
C9 H6 0.9500 . ?
C10 C11 1.37(2) . ?
C10 H7 0.9500 . ?
C11 C12 1.390(18) . ?
C11 H8 0.9500 . ?
S5 C14 1.787(17) . ?
S6 C18 1.754(17) . ?
S6 Cs1 3.464(3) . ?
S6 Cs1B 3.466(5) . ?
C13 C18 1.39(2) . ?
C13 C14 1.40(2) . ?
C13 H9 0.9500 . ?
C14 C15 1.36(2) . ?
C15 C16 1.36(2) . ?
C15 H10 0.9500 . ?
C16 C17 1.40(2) . ?
C16 H11 0.9500 . ?
C17 C18 1.43(2) . ?
C17 H12 0.9500 . ?
S7 C20 1.760(15) . ?
S8 C24 1.773(14) . ?
S8 Cs2 3.436(4) 2_765 ?
C19 C20 1.357(19) . ?
C19 C24 1.40(2) . ?
C19 H13 0.9500 . ?
C20 C21 1.41(2) . ?
C21 C22 1.33(3) . ?
C21 H14 0.9500 . ?
C22 C23 1.36(3) . ?
C22 H15 0.9500 . ?
C23 C24 1.40(2) . ?
C23 H16 0.9500 . ?
S9 C26 1.795(13) . ?
S10 C30 1.746(15) . ?
S10 Cs1B 3.438(5) 2_766 ?
S10 Cs1 3.533(3) 2_766 ?
C25 C26 1.384(18) . ?
C25 C30 1.385(18) . ?
C25 H17 0.9500 . ?
C26 C27 1.389(18) . ?
C27 C28 1.41(2) . ?
C27 H18 0.9500 . ?
C28 C29 1.39(2) . ?
C28 H19 0.9500 . ?
C29 C30 1.429(19) . ?
C29 Cs1B 3.808(16) 2_766 ?
C29 H20 0.9500 . ?
S11 C32 1.784(13) . ?
S12 C36 1.761(11) . ?
C31 C36 1.370(17) . ?
C31 C32 1.388(17) . ?
C31 H21 0.9500 . ?
C32 C33 1.401(18) . ?
C33 C34 1.376(19) . ?
C33 H22 0.9500 . ?
C34 C35 1.414(19) . ?
C34 H23 0.9500 . ?
C35 C36 1.389(17) . ?
C35 H24 0.9500 . ?
S13 C38 1.800(13) . ?
S14 C42 1.783(15) . ?
S14 Cs2 3.461(3) . ?
C37 C38 1.380(19) . ?
C37 C42 1.382(17) . ?
C37 H25 0.9500 . ?
C38 C39 1.384(19) . ?
C39 C40 1.36(2) . ?
C39 H26 0.9500 . ?
C40 C41 1.37(2) . ?
C40 H27 0.9500 . ?
C41 C42 1.38(2) . ?
C41 H28 0.9500 . ?
S15 C44 1.797(15) . ?
S16 C48 1.775(16) . ?
S16 Cs3 3.531(4) . ?
S16 Cs3B 3.543(4) . ?
C43 C48 1.38(2) . ?
C43 C44 1.39(2) . ?
C43 H29 0.9500 . ?
C44 C45 1.35(2) . ?
C45 C46 1.40(2) . ?
C45 H30 0.9500 . ?
C46 C47 1.38(2) . ?
C46 H31 0.9500 . ?
C47 C48 1.39(2) . ?
C47 H32 0.9500 . ?
S17 C50 1.785(13) . ?
S18 C54 1.768(13) . ?
C49 C50 1.375(17) . ?
C49 C54 1.416(18) . ?
C49 H33 0.9500 . ?
C50 C51 1.379(18) . ?
C51 C52 1.37(2) . ?
C51 H34 0.9500 . ?
C52 C53 1.38(2) . ?
C52 H35 0.9500 . ?
C53 C54 1.373(18) . ?
C53 H36 0.9500 . ?
S19 C56 1.772(13) . ?
S20 C60 1.785(14) . ?
C55 C56 1.378(17) . ?
C55 C60 1.383(18) . ?
C55 H37 0.9500 . ?
C56 C57 1.411(17) . ?
C57 C58 1.354(19) . ?
C57 H38 0.9500 . ?
C58 C59 1.40(2) . ?
C58 H39 0.9500 . ?
C59 C60 1.389(18) . ?
C59 H40 0.9500 . ?
S21 C62 1.793(12) . ?
S22 C66 1.793(12) . ?
C61 C62 1.376(16) . ?
C61 C66 1.399(17) . ?
C61 H41 0.9500 . ?
C62 C63 1.377(18) . ?
C63 C64 1.388(19) . ?
C63 H42 0.9500 . ?
C64 C65 1.36(2) . ?
C64 H43 0.9500 . ?
C65 C66 1.369(19) . ?
C65 H44 0.9500 . ?
S23 C68 1.787(12) . ?
S24 C72 1.788(14) . ?
C67 C68 1.380(17) . ?
C67 C72 1.411(16) . ?
C67 H45 0.9500 . ?
C68 C69 1.383(17) . ?
C69 C70 1.390(19) . ?
C69 H46 0.9500 . ?
C70 C71 1.34(2) . ?
C70 H47 0.9500 . ?
C71 C72 1.378(18) . ?
C71 H48 0.9500 . ?
P1 C85 1.822(15) . ?
P1 C79 1.833(15) . ?
P1 C73 1.834(15) . ?
C73 C78 1.37(2) . ?
C73 C74 1.39(2) . ?
C74 C75 1.42(2) . ?
C74 H49 0.9500 . ?
C75 C76 1.41(3) . ?
C75 H50 0.9500 . ?
C76 C77 1.36(2) . ?
C76 H51 0.9500 . ?
C77 C78 1.39(2) . ?
C77 H52 0.9500 . ?
C78 H53 0.9500 . ?
C79 C84 1.35(3) . ?
C79 C80 1.37(2) . ?
C80 C81 1.37(2) . ?
C80 H54 0.9500 . ?
C81 C82 1.34(4) . ?
C81 H55 0.9500 . ?
C82 C83 1.41(4) . ?
C82 H56 0.9500 . ?
C83 C84 1.41(3) . ?
C83 H57 0.9500 . ?
C84 H58 0.9500 . ?
C85 C86 1.39(2) . ?
C85 C90 1.39(2) . ?
C86 C87 1.38(3) . ?
C86 H59 0.9500 . ?
C87 C88 1.37(3) . ?
C87 H60 0.9500 . ?
C88 C89 1.38(3) . ?
C88 H61 0.9500 . ?
C89 C90 1.38(2) . ?
C89 H62 0.9500 . ?
C90 H63 0.9500 . ?
P2 C97 1.834(16) . ?
P2 C91 1.839(14) . ?
P2 C103 1.844(16) . ?
C91 C92 1.37(2) . ?
C91 C96 1.40(2) . ?
C92 C93 1.40(2) . ?
C92 H64 0.9500 . ?
C93 C94 1.36(3) . ?
C93 H65 0.9500 . ?
C94 C95 1.40(3) . ?
C94 H66 0.9500 . ?
C95 C96 1.37(2) . ?
C95 H67 0.9500 . ?
C96 H68 0.9500 . ?
C97 C102 1.37(2) . ?
C97 C98 1.39(2) . ?
C98 C99 1.36(2) . ?
C98 H69 0.9500 . ?
C99 C100 1.41(3) . ?
C99 H70 0.9500 . ?
C100 C101 1.38(3) . ?
C100 H71 0.9500 . ?
C101 C102 1.38(3) . ?
C101 H72 0.9500 . ?
C102 H73 0.9500 . ?
C103 C104 1.36(2) . ?
C103 C108 1.41(3) . ?
C104 C105 1.38(2) . ?
C104 H74 0.9500 . ?
C105 C106 1.38(3) . ?
C105 H75 0.9500 . ?
C106 C107 1.38(3) . ?
C106 H76 0.9500 . ?
C107 C108 1.38(3) . ?
C107 H77 0.9500 . ?
C108 H78 0.9500 . ?
P3 C121 1.823(16) . ?
P3 C115 1.831(16) . ?
P3 C109 1.841(17) . ?
C109 C110 1.36(2) . ?
C109 C114 1.43(3) . ?
C110 C111 1.38(2) . ?
C110 H79 0.9500 . ?
C111 C112 1.39(3) . ?
C111 H80 0.9500 . ?
C112 C113 1.34(4) . ?
C112 H81 0.9500 . ?
C113 C114 1.40(3) . ?
C113 H82 0.9500 . ?
C114 H83 0.9500 . ?
C115 C116 1.36(3) . ?
C115 C120 1.41(3) . ?
C116 C117 1.37(3) . ?
C116 H84 0.9500 . ?
C117 C118 1.28(4) . ?
C117 H85 0.9500 . ?
C118 C119 1.45(5) . ?
C118 H86 0.9500 . ?
C119 C120 1.45(3) . ?
C119 H87 0.9500 . ?
C120 H88 0.9500 . ?
C121 C122 1.36(2) . ?
C121 C126 1.41(2) . ?
C122 C123 1.39(3) . ?
C122 H89 0.9500 . ?
C123 C124 1.36(3) . ?
C123 H90 0.9500 . ?
C124 C125 1.40(3) . ?
C124 H91 0.9500 . ?
C125 C126 1.39(3) . ?
C125 H92 0.9500 . ?
C126 H93 0.9500 . ?
N1 C131 1.31(2) . ?
N1 C127 1.33(2) . ?
C127 C128 1.38(2) . ?
C127 H94 0.9500 . ?
C128 C129 1.36(3) . ?
C128 H95 0.9500 . ?
C129 C130 1.34(3) . ?
C129 H96 0.9500 . ?
C130 C131 1.37(2) . ?
C130 H97 0.9500 . ?
C131 H98 0.9500 . ?
Cs1 N3 3.212(16) . ?
Cs1 N2 3.35(2) . ?
Cs1 C132 3.48(2) 2_766 ?
Cs1 N2 3.492(18) 2_766 ?
Cs1 C141 3.68(2) . ?
Cs1 C133 3.70(2) 2_766 ?
Cs1 C136 3.743(16) 2_766 ?
Cs1 Cs1 5.759(3) 2_766 ?
Cs1B N2 2.69(2) . ?
Cs1B N4 3.13(4) . ?
Cs1B C132 3.34(3) . ?
Cs1B N2 3.602(17) 2_766 ?
Cs1B C136 3.725(19) . ?
Cs1B C132 3.76(2) 2_766 ?
Cs1B Cs1B 5.180(10) 2_766 ?
N2 C132 1.30(2) . ?
N2 C136 1.36(2) . ?
C132 C133 1.38(3) . ?
C132 H99 0.9500 . ?
C133 C134 1.39(3) . ?
C133 H100 0.9500 . ?
C134 C135 1.39(2) . ?
C134 H101 0.9500 . ?
C135 C136 1.35(3) . ?
C135 H102 0.9500 . ?
C136 H103 0.9500 . ?
N3 C137 1.3900 . ?
N3 C141 1.3900 . ?
C137 C138 1.3900 . ?
C137 H104 0.9500 . ?
C138 C139 1.3900 . ?
C138 H105 0.9500 . ?
C139 C140 1.3900 . ?
C139 H106 0.9500 . ?
C140 C141 1.3900 . ?
C140 H107 0.9500 . ?
C141 H108 0.9500 . ?
N4 C142 1.3900 . ?
N4 C146 1.3900 . ?
C142 C143 1.3900 . ?
C142 H109 0.9500 . ?
C143 C144 1.3900 . ?
C143 H110 0.9500 . ?
C144 C145 1.3900 . ?
C144 H111 0.9500 . ?
C145 C146 1.3900 . ?
C145 H112 0.9500 . ?
C146 H113 0.9500 . ?
Cs2 C166 3.1(3) 2_765 ?
Cs2 N5 3.18(2) . ?
Cs2 N6 3.243(10) . ?
Cs2 N8 3.24(2) . ?
Cs2 N6 3.299(12) 2_765 ?
Cs2 N7 3.36(3) . ?
Cs2 N8 3.60(13) 2_765 ?
Cs2 C156 3.75(4) 2_765 ?
Cs2 C162 3.83(11) . ?
Cs2 C151 3.90(2) . ?
Cs2 H133 2.4(3) 2_765 ?
N5 C147 1.34(3) . ?
N5 C151 1.35(3) . ?
C147 C148 1.42(3) . ?
C147 H114 0.9500 . ?
C148 C149 1.25(4) . ?
C148 H115 0.9500 . ?
C149 C150 1.27(3) . ?
C149 H116 0.9500 . ?
C150 C151 1.34(3) . ?
C150 H117 0.9500 . ?
C151 H118 0.9500 . ?
N6 C152 1.3900 . ?
N6 C156 1.3900 . ?
C152 C153 1.3900 . ?
C152 H119 0.9500 . ?
C153 C154 1.3900 . ?
C153 H120 0.9500 . ?
C154 C155 1.3900 . ?
C154 H121 0.9500 . ?
C155 C156 1.3900 . ?
C155 H122 0.9500 . ?
C156 H123 0.9500 . ?
N7 C157 1.3900 . ?
N7 C161 1.3900 . ?
C157 C158 1.3900 . ?
C157 H124 0.9500 . ?
C158 C159 1.3900 . ?
C158 H125 0.9500 . ?
C159 C160 1.3900 . ?
C159 H126 0.9500 . ?
C160 C161 1.3900 . ?
C160 H127 0.9500 . ?
C161 H128 0.9500 . ?
N8 C162 1.3900 . ?
N8 C166 1.3900 . ?
C162 C163 1.3900 . ?
C162 H129 0.9500 . ?
C163 C164 1.3900 . ?
C163 H130 0.9500 . ?
C164 C165 1.3900 . ?
C164 H131 0.9500 . ?
C165 C166 1.3900 . ?
C165 H132 0.9500 . ?
C166 H133 0.9500 . ?
Cs3 N9 3.241(18) . ?
Cs3 O1 3.28(3) . ?
Cs3 O2 3.32(4) . ?
Cs3 N10 3.36(3) . ?
Cs3 C172 3.39(3) . ?
Cs3 N9 3.410(19) 2_776 ?
Cs3 C171 3.83(2) . ?
Cs3 Cs3 4.843(5) 2_776 ?
Cs3B N11 3.34(2) . ?
Cs3B O3 3.43(5) . ?
Cs3B N11 3.51(3) 2_776 ?
Cs3B C181 3.78(9) 2_776 ?
Cs3B C177 3.83(9) 2_776 ?
Cs3B Cs3B 5.494(6) 2_776 ?
N9 C167 1.3900 . ?
N9 C171 1.3900 . ?
C167 C168 1.3900 . ?
C167 H134 0.9500 . ?
C168 C169 1.3900 . ?
C168 H135 0.9500 . ?
C169 C170 1.3900 . ?
C169 H136 0.9500 . ?
C170 C171 1.3900 . ?
C170 H137 0.9500 . ?
C171 H138 0.9500 . ?
N10 C172 1.3900 . ?
N10 C176 1.3900 . ?
C172 C173 1.3900 . ?
C172 H139 0.9500 . ?
C173 C174 1.3900 . ?
C173 H140 0.9500 . ?
C174 C175 1.3900 . ?
C174 H141 0.9500 . ?
C175 C176 1.3900 . ?
C175 H142 0.9500 . ?
C176 H143 0.9500 . ?
N11 C177 1.3900 . ?
N11 C181 1.3900 . ?
C177 C178 1.3900 . ?
C177 H144 0.9500 . ?
C178 C179 1.3900 . ?
C178 H145 0.9500 . ?
C179 C180 1.3900 . ?
C179 H146 0.9500 . ?
C180 C181 1.3900 . ?
C180 H147 0.9500 . ?
C181 H148 0.9500 . ?
N12 C186 1.33(4) . ?
N12 C182 1.37(4) . ?
C182 C183 1.46(4) . ?
C182 H149 0.9500 . ?
C183 C184 1.32(4) . ?
C183 H150 0.9500 . ?
C184 C185 1.27(4) . ?
C184 H151 0.9500 . ?
C185 C186 1.22(4) . ?
C185 H152 0.9500 . ?
C186 H153 0.9500 . ?
O4 C189 1.39(3) . ?
O4 C187 1.46(3) . ?
C187 C188 1.50(5) . ?
C187 H154 0.9900 . ?
C187 H155 0.9900 . ?
C188 H156 0.9800 . ?
C188 H157 0.9800 . ?
C188 H158 0.9800 . ?
C189 C190 1.52(3) . ?
C189 H159 0.9900 . ?
C189 H160 0.9900 . ?
C190 H161 0.9800 . ?
C190 H162 0.9800 . ?
C190 H163 0.9800 . ?

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
Ag13 Ag1 Ag4 61.47(3) . . ?
Ag13 Ag1 Ag2 115.88(4) . . ?
Ag4 Ag1 Ag2 65.12(3) . . ?
Ag13 Ag1 Ag11 116.14(4) . . ?
Ag4 Ag1 Ag11 177.55(4) . . ?
Ag2 Ag1 Ag11 117.12(4) . . ?
Ag13 Ag1 Ag7 116.39(4) . . ?
Ag4 Ag1 Ag7 116.25(4) . . ?
Ag2 Ag1 Ag7 61.77(3) . . ?
Ag11 Ag1 Ag7 65.01(3) . . ?
Ag13 Ag1 Ag6 177.56(5) . . ?
Ag4 Ag1 Ag6 116.60(4) . . ?
Ag2 Ag1 Ag6 63.53(3) . . ?
Ag11 Ag1 Ag6 65.76(3) . . ?
Ag7 Ag1 Ag6 65.62(3) . . ?
Ag13 Ag1 Ag10 117.56(4) . . ?
Ag4 Ag1 Ag10 116.67(4) . . ?
Ag2 Ag1 Ag10 116.45(4) . . ?
Ag11 Ag1 Ag10 63.59(3) . . ?
Ag7 Ag1 Ag10 116.92(4) . . ?
Ag6 Ag1 Ag10 61.58(3) . . ?
Ag13 Ag1 Ag5 115.88(4) . . ?
Ag4 Ag1 Ag5 64.89(3) . . ?
Ag2 Ag1 Ag5 65.62(3) . . ?
Ag11 Ag1 Ag5 116.67(4) . . ?
Ag7 Ag1 Ag5 117.16(4) . . ?
Ag6 Ag1 Ag5 61.68(3) . . ?
Ag10 Ag1 Ag5 61.81(3) . . ?
Ag13 Ag1 Ag9 61.69(3) . . ?
Ag4 Ag1 Ag9 61.78(3) . . ?
Ag2 Ag1 Ag9 117.42(4) . . ?
Ag11 Ag1 Ag9 116.91(4) . . ?
Ag7 Ag1 Ag9 177.62(5) . . ?
Ag6 Ag1 Ag9 116.26(4) . . ?
Ag10 Ag1 Ag9 65.46(3) . . ?
Ag5 Ag1 Ag9 63.57(3) . . ?
Ag13 Ag1 Ag12 65.03(3) . . ?
Ag4 Ag1 Ag12 116.93(4) . . ?
Ag2 Ag1 Ag12 115.88(4) . . ?
Ag11 Ag1 Ag12 61.47(3) . . ?
Ag7 Ag1 Ag12 63.26(3) . . ?
Ag6 Ag1 Ag12 117.41(4) . . ?
Ag10 Ag1 Ag12 116.12(4) . . ?
Ag5 Ag1 Ag12 177.92(4) . . ?
Ag9 Ag1 Ag12 116.10(4) . . ?
Ag13 Ag1 Ag3 63.71(3) . . ?
Ag4 Ag1 Ag3 116.07(4) . . ?
Ag2 Ag1 Ag3 177.29(5) . . ?
Ag11 Ag1 Ag3 61.65(3) . . ?
Ag7 Ag1 Ag3 115.81(4) . . ?
Ag6 Ag1 Ag3 117.00(4) . . ?
Ag10 Ag1 Ag3 65.47(3) . . ?
Ag5 Ag1 Ag3 117.05(4) . . ?
Ag9 Ag1 Ag3 64.95(3) . . ?
Ag12 Ag1 Ag3 61.44(3) . . ?
Ag13 Ag1 Ag8 64.97(3) . . ?
Ag4 Ag1 Ag8 63.79(3) . . ?
Ag2 Ag1 Ag8 61.24(3) . . ?
Ag11 Ag1 Ag8 116.08(4) . . ?
Ag7 Ag1 Ag8 61.26(3) . . ?
Ag6 Ag1 Ag8 115.87(4) . . ?
Ag10 Ag1 Ag8 177.43(4) . . ?
Ag5 Ag1 Ag8 117.01(4) . . ?
Ag9 Ag1 Ag8 116.36(4) . . ?
Ag12 Ag1 Ag8 65.04(3) . . ?
Ag3 Ag1 Ag8 116.79(4) . . ?
S1 Ag2 Ag1 161.11(10) . . ?
S1 Ag2 Ag8 131.37(9) . . ?
Ag1 Ag2 Ag8 59.93(3) . . ?
S1 Ag2 Ag7 137.80(9) . . ?
Ag1 Ag2 Ag7 59.21(3) . . ?
Ag8 Ag2 Ag7 59.99(3) . . ?
S1 Ag2 Ag6 117.31(9) . . ?
Ag1 Ag2 Ag6 58.35(3) . . ?
Ag8 Ag2 Ag6 110.37(4) . . ?
Ag7 Ag2 Ag6 62.88(3) . . ?
S1 Ag2 Ag4 111.76(9) . . ?
Ag1 Ag2 Ag4 57.40(3) . . ?
Ag8 Ag2 Ag4 60.71(3) . . ?
Ag7 Ag2 Ag4 107.75(4) . . ?
Ag6 Ag2 Ag4 106.16(4) . . ?
S1 Ag2 Ag5 104.17(10) . . ?
Ag1 Ag2 Ag5 57.36(3) . . ?
Ag8 Ag2 Ag5 109.00(4) . . ?
Ag7 Ag2 Ag5 108.14(4) . . ?
Ag6 Ag2 Ag5 57.43(3) . . ?
Ag4 Ag2 Ag5 59.62(3) . . ?
S1 Ag2 Ag21 55.02(9) . . ?
Ag1 Ag2 Ag21 143.57(5) . . ?
Ag8 Ag2 Ag21 89.26(4) . . ?
Ag7 Ag2 Ag21 89.62(4) . . ?
Ag6 Ag2 Ag21 126.55(4) . . ?
Ag4 Ag2 Ag21 126.30(4) . . ?
Ag5 Ag2 Ag21 159.07(4) . . ?
S1 Ag2 Ag14 54.66(9) . . ?
Ag1 Ag2 Ag14 108.30(4) . . ?
Ag8 Ag2 Ag14 114.38(4) . . ?
Ag7 Ag2 Ag14 167.48(4) . . ?
Ag6 Ag2 Ag14 112.68(4) . . ?
Ag4 Ag2 Ag14 61.25(3) . . ?
Ag5 Ag2 Ag14 61.88(3) . . ?
Ag21 Ag2 Ag14 101.77(4) . . ?
S3 Ag3 Ag1 156.93(8) . . ?
S3 Ag3 Ag12 143.39(8) . . ?
Ag1 Ag3 Ag12 59.28(3) . . ?
S3 Ag3 Ag11 129.21(8) . . ?
Ag1 Ag3 Ag11 58.90(3) . . ?
Ag12 Ag3 Ag11 59.84(3) . . ?
S3 Ag3 Ag13 122.02(8) . . ?
Ag1 Ag3 Ag13 57.63(3) . . ?
Ag12 Ag3 Ag13 62.13(3) . . ?
Ag11 Ag3 Ag13 108.66(4) . . ?
S3 Ag3 Ag9 101.59(8) . . ?
Ag1 Ag3 Ag9 57.47(3) . . ?
Ag12 Ag3 Ag9 108.09(4) . . ?
Ag11 Ag3 Ag9 108.31(4) . . ?
Ag13 Ag3 Ag9 57.37(3) . . ?
S3 Ag3 Ag10 105.73(8) . . ?
Ag1 Ag3 Ag10 57.09(3) . . ?
Ag12 Ag3 Ag10 107.41(4) . . ?
Ag11 Ag3 Ag10 59.79(3) . . ?
Ag13 Ag3 Ag10 105.73(3) . . ?
Ag9 Ag3 Ag10 60.14(3) . . ?
S3 Ag3 Ag27 52.11(8) . . ?
Ag1 Ag3 Ag27 148.24(4) . . ?
Ag12 Ag3 Ag27 96.34(4) . . ?
Ag11 Ag3 Ag27 92.12(3) . . ?
Ag13 Ag3 Ag27 132.02(4) . . ?
Ag9 Ag3 Ag27 153.70(4) . . ?
Ag10 Ag3 Ag27 121.96(4) . . ?
S5 Ag4 Ag1 160.88(9) . . ?
S5 Ag4 Ag13 137.81(9) . . ?
Ag1 Ag4 Ag13 59.09(3) . . ?
S5 Ag4 Ag9 132.37(10) . . ?
Ag1 Ag4 Ag9 59.42(3) . . ?
Ag13 Ag4 Ag9 60.12(3) . . ?
S5 Ag4 Ag8 116.59(10) . . ?
Ag1 Ag4 Ag8 58.68(3) . . ?
Ag13 Ag4 Ag8 62.33(3) . . ?
Ag9 Ag4 Ag8 110.06(4) . . ?
S5 Ag4 Ag5 111.72(9) . . ?
Ag1 Ag4 Ag5 57.77(3) . . ?
Ag13 Ag4 Ag5 108.01(4) . . ?
Ag9 Ag4 Ag5 60.37(3) . . ?
Ag8 Ag4 Ag5 107.06(4) . . ?
S5 Ag4 Ag2 103.77(9) . . ?
Ag1 Ag4 Ag2 57.49(3) . . ?
Ag13 Ag4 Ag2 107.61(4) . . ?
Ag9 Ag4 Ag2 109.00(4) . . ?
Ag8 Ag4 Ag2 57.26(3) . . ?
Ag5 Ag4 Ag2 60.65(3) . . ?
S5 Ag4 Ag24 54.00(8) . . ?
Ag1 Ag4 Ag24 144.94(4) . . ?
Ag13 Ag4 Ag24 90.70(4) . . ?
Ag9 Ag4 Ag24 91.29(4) . . ?
Ag8 Ag4 Ag24 125.52(4) . . ?
Ag5 Ag4 Ag24 126.71(4) . . ?
Ag2 Ag4 Ag24 157.49(4) . . ?
S5 Ag4 Ag14 54.89(8) . . ?
Ag1 Ag4 Ag14 107.72(4) . . ?
Ag13 Ag4 Ag14 166.72(4) . . ?
Ag9 Ag4 Ag14 116.17(4) . . ?
Ag8 Ag4 Ag14 110.71(4) . . ?
Ag5 Ag4 Ag14 61.95(3) . . ?
Ag2 Ag4 Ag14 60.46(3) . . ?
Ag24 Ag4 Ag14 102.30(4) . . ?
S7 Ag5 Ag1 158.46(9) . . ?
S7 Ag5 Ag6 130.85(9) . . ?
Ag1 Ag5 Ag6 59.10(3) . . ?
S7 Ag5 Ag10 141.48(10) . . ?
Ag1 Ag5 Ag10 59.05(3) . . ?
Ag6 Ag5 Ag10 59.80(3) . . ?
S7 Ag5 Ag9 119.25(9) . . ?
Ag1 Ag5 Ag9 58.30(3) . . ?
Ag6 Ag5 Ag9 109.59(4) . . ?
Ag10 Ag5 Ag9 62.62(3) . . ?
S7 Ag5 Ag4 102.26(9) . . ?
Ag1 Ag5 Ag4 57.34(3) . . ?
Ag6 Ag5 Ag4 108.12(4) . . ?
Ag10 Ag5 Ag4 108.04(4) . . ?
Ag9 Ag5 Ag4 57.69(3) . . ?
S7 Ag5 Ag2 108.52(9) . . ?
Ag1 Ag5 Ag2 57.02(3) . . ?
Ag6 Ag5 Ag2 59.74(3) . . ?
Ag10 Ag5 Ag2 107.09(4) . . ?
Ag9 Ag5 Ag2 106.12(4) . . ?
Ag4 Ag5 Ag2 59.73(3) . . ?
S7 Ag5 Ag18 54.51(8) . . ?
Ag1 Ag5 Ag18 145.94(4) . . ?
Ag6 Ag5 Ag18 91.42(4) . . ?
Ag10 Ag5 Ag18 92.60(4) . . ?
Ag9 Ag5 Ag18 128.14(4) . . ?
Ag4 Ag5 Ag18 156.68(4) . . ?
Ag2 Ag5 Ag18 125.12(4) . . ?
S7 Ag5 Ag14 53.32(9) . . ?
Ag1 Ag5 Ag14 106.23(4) . . ?
Ag6 Ag5 Ag14 112.79(4) . . ?
Ag10 Ag5 Ag14 165.20(5) . . ?
Ag9 Ag5 Ag14 112.52(4) . . ?
Ag4 Ag5 Ag14 60.52(3) . . ?
Ag2 Ag5 Ag14 59.69(3) . . ?
Ag18 Ag5 Ag14 100.64(4) . . ?
S9 Ag6 Ag1 158.94(9) . . ?
S9 Ag6 Ag10 128.55(8) . . ?
Ag1 Ag6 Ag10 59.23(3) . . ?
S9 Ag6 Ag5 141.44(9) . . ?
Ag1 Ag6 Ag5 59.22(3) . . ?
Ag10 Ag6 Ag5 60.21(3) . . ?
S9 Ag6 Ag2 121.36(8) . . ?
Ag1 Ag6 Ag2 58.12(3) . . ?
Ag10 Ag6 Ag2 109.82(4) . . ?
Ag5 Ag6 Ag2 62.83(3) . . ?
S9 Ag6 Ag7 103.55(9) . . ?
Ag1 Ag6 Ag7 57.17(3) . . ?
Ag10 Ag6 Ag7 107.92(4) . . ?
Ag5 Ag6 Ag7 108.05(4) . . ?
Ag2 Ag6 Ag7 57.37(3) . . ?
S9 Ag6 Ag11 107.41(8) . . ?
Ag1 Ag6 Ag11 57.05(3) . . ?
Ag10 Ag6 Ag11 59.83(3) . . ?
Ag5 Ag6 Ag11 107.45(4) . . ?
Ag2 Ag6 Ag11 105.69(4) . . ?
Ag7 Ag6 Ag11 59.36(3) . . ?
S9 Ag6 Ag19 52.93(8) . . ?
Ag1 Ag6 Ag19 145.66(4) . . ?
Ag10 Ag6 Ag19 89.62(4) . . ?
Ag5 Ag6 Ag19 94.15(4) . . ?
Ag2 Ag6 Ag19 131.90(4) . . ?
Ag7 Ag6 Ag19 156.47(4) . . ?
Ag11 Ag6 Ag19 121.86(4) . . ?
S11 Ag7 Ag1 157.92(8) . . ?
S11 Ag7 Ag8 140.20(9) . . ?
Ag1 Ag7 Ag8 59.82(3) . . ?
S11 Ag7 Ag2 133.37(8) . . ?
Ag1 Ag7 Ag2 59.02(3) . . ?
Ag8 Ag7 Ag2 59.86(3) . . ?
S11 Ag7 Ag12 116.64(8) . . ?
Ag1 Ag7 Ag12 58.59(3) . . ?
Ag8 Ag7 Ag12 62.89(3) . . ?
Ag2 Ag7 Ag12 109.60(4) . . ?
S11 Ag7 Ag11 101.07(8) . . ?
Ag1 Ag7 Ag11 57.45(3) . . ?
Ag8 Ag7 Ag11 108.59(4) . . ?
Ag2 Ag7 Ag11 108.44(4) . . ?
Ag12 Ag7 Ag11 57.59(3) . . ?
S11 Ag7 Ag6 109.76(8) . . ?
Ag1 Ag7 Ag6 57.20(3) . . ?
Ag8 Ag7 Ag6 107.78(4) . . ?
Ag2 Ag7 Ag6 59.75(3) . . ?
Ag12 Ag7 Ag6 106.71(4) . . ?
Ag11 Ag7 Ag6 60.39(3) . . ?
S11 Ag7 Ag22 52.39(7) . . ?
Ag1 Ag7 Ag22 149.29(4) . . ?
Ag8 Ag7 Ag22 94.08(4) . . ?
Ag2 Ag7 Ag22 94.99(4) . . ?
Ag12 Ag7 Ag22 126.62(4) . . ?
Ag11 Ag7 Ag22 153.26(4) . . ?
Ag6 Ag7 Ag22 126.50(4) . . ?
S13 Ag8 Ag1 156.33(8) . . ?
S13 Ag8 Ag2 144.57(8) . . ?
Ag1 Ag8 Ag2 58.82(3) . . ?
S13 Ag8 Ag7 128.45(9) . . ?
Ag1 Ag8 Ag7 58.91(3) . . ?
Ag2 Ag8 Ag7 60.15(3) . . ?
S13 Ag8 Ag4 122.61(8) . . ?
Ag1 Ag8 Ag4 57.53(3) . . ?
Ag2 Ag8 Ag4 62.03(3) . . ?
Ag7 Ag8 Ag4 108.91(4) . . ?
S13 Ag8 Ag13 101.99(8) . . ?
Ag1 Ag8 Ag13 56.80(3) . . ?
Ag2 Ag8 Ag13 107.06(4) . . ?
Ag7 Ag8 Ag13 107.56(4) . . ?
Ag4 Ag8 Ag13 56.88(3) . . ?
S13 Ag8 Ag12 104.56(8) . . ?
Ag1 Ag8 Ag12 57.27(3) . . ?
Ag2 Ag8 Ag12 107.40(4) . . ?
Ag7 Ag8 Ag12 59.79(3) . . ?
Ag4 Ag8 Ag12 105.51(4) . . ?
Ag13 Ag8 Ag12 59.68(3) . . ?
S13 Ag8 Ag23 52.62(7) . . ?
Ag1 Ag8 Ag23 147.71(4) . . ?
Ag2 Ag8 Ag23 96.95(4) . . ?
Ag7 Ag8 Ag23 91.36(4) . . ?
Ag4 Ag8 Ag23 133.19(4) . . ?
Ag13 Ag8 Ag23 154.60(4) . . ?
Ag12 Ag8 Ag23 121.02(4) . . ?
S15 Ag9 Ag1 160.75(9) . . ?
S15 Ag9 Ag13 130.97(8) . . ?
Ag1 Ag9 Ag13 58.67(3) . . ?
S15 Ag9 Ag4 139.38(9) . . ?
Ag1 Ag9 Ag4 58.80(3) . . ?
Ag13 Ag9 Ag4 59.47(3) . . ?
S15 Ag9 Ag5 119.57(8) . . ?
Ag1 Ag9 Ag5 58.13(3) . . ?
Ag13 Ag9 Ag5 108.74(4) . . ?
Ag4 Ag9 Ag5 61.94(3) . . ?
S15 Ag9 Ag3 109.92(8) . . ?
Ag1 Ag9 Ag3 57.58(3) . . ?
Ag13 Ag9 Ag3 60.15(3) . . ?
Ag4 Ag9 Ag3 107.51(4) . . ?
Ag5 Ag9 Ag3 106.58(4) . . ?
S15 Ag9 Ag10 104.56(8) . . ?
Ag1 Ag9 Ag10 57.15(3) . . ?
Ag13 Ag9 Ag10 108.00(4) . . ?
Ag4 Ag9 Ag10 107.30(4) . . ?
Ag5 Ag9 Ag10 57.44(3) . . ?
Ag3 Ag9 Ag10 60.22(3) . . ?
S15 Ag9 Ag25 52.01(8) . . ?
Ag1 Ag9 Ag25 146.27(4) . . ?
Ag13 Ag9 Ag25 91.77(4) . . ?
Ag4 Ag9 Ag25 93.47(4) . . ?
Ag5 Ag9 Ag25 128.59(4) . . ?
Ag3 Ag9 Ag25 124.27(4) . . ?
Ag10 Ag9 Ag25 156.53(4) . . ?
S17 Ag10 Ag1 158.88(9) . . ?
S17 Ag10 Ag6 141.65(9) . . ?
Ag1 Ag10 Ag6 59.19(3) . . ?
S17 Ag10 Ag5 128.15(8) . . ?
Ag1 Ag10 Ag5 59.14(3) . . ?
Ag6 Ag10 Ag5 59.99(3) . . ?
S17 Ag10 Ag11 121.88(8) . . ?
Ag1 Ag10 Ag11 58.12(3) . . ?
Ag6 Ag10 Ag11 62.97(3) . . ?
Ag5 Ag10 Ag11 109.73(4) . . ?
S17 Ag10 Ag9 106.70(9) . . ?
Ag1 Ag10 Ag9 57.39(3) . . ?
Ag6 Ag10 Ag9 107.63(4) . . ?
Ag5 Ag10 Ag9 59.94(3) . . ?
Ag11 Ag10 Ag9 105.97(4) . . ?
S17 Ag10 Ag3 103.46(8) . . ?
Ag1 Ag10 Ag3 57.44(3) . . ?
Ag6 Ag10 Ag3 108.29(4) . . ?
Ag5 Ag10 Ag3 108.13(4) . . ?
Ag11 Ag10 Ag3 57.38(3) . . ?
Ag9 Ag10 Ag3 59.65(3) . . ?
S17 Ag10 Ag20 50.90(8) . . ?
Ag1 Ag10 Ag20 147.82(4) . . ?
Ag6 Ag10 Ag20 95.38(4) . . ?
Ag5 Ag10 Ag20 92.00(4) . . ?
Ag11 Ag10 Ag20 130.95(4) . . ?
Ag9 Ag10 Ag20 122.84(4) . . ?
Ag3 Ag10 Ag20 154.35(4) . . ?
S19 Ag11 Ag1 161.13(8) . . ?
S19 Ag11 Ag12 130.61(8) . . ?
Ag1 Ag11 Ag12 59.54(3) . . ?
S19 Ag11 Ag3 138.11(8) . . ?
Ag1 Ag11 Ag3 59.45(3) . . ?
Ag12 Ag11 Ag3 60.07(3) . . ?
S19 Ag11 Ag10 118.58(8) . . ?
Ag1 Ag11 Ag10 58.29(3) . . ?
Ag12 Ag11 Ag10 109.99(4) . . ?
Ag3 Ag11 Ag10 62.83(3) . . ?
S19 Ag11 Ag7 110.82(8) . . ?
Ag1 Ag11 Ag7 57.55(3) . . ?
Ag12 Ag11 Ag7 60.09(3) . . ?
Ag3 Ag11 Ag7 107.86(4) . . ?
Ag10 Ag11 Ag7 106.54(4) . . ?
S19 Ag11 Ag6 104.65(8) . . ?
Ag1 Ag11 Ag6 57.18(3) . . ?
Ag12 Ag11 Ag6 108.59(4) . . ?
Ag3 Ag11 Ag6 108.05(4) . . ?
Ag10 Ag11 Ag6 57.20(3) . . ?
Ag7 Ag11 Ag6 60.26(3) . . ?
S19 Ag11 Ag28 51.75(7) . . ?
Ag1 Ag11 Ag28 146.78(4) . . ?
Ag12 Ag11 Ag28 93.24(3) . . ?
Ag3 Ag11 Ag28 91.47(3) . . ?
Ag10 Ag11 Ag28 125.24(4) . . ?
Ag7 Ag11 Ag28 127.78(4) . . ?
Ag6 Ag11 Ag28 155.89(4) . . ?
S19 Ag11 Ag15 50.32(7) . . ?
Ag1 Ag11 Ag15 112.09(3) . . ?
Ag12 Ag11 Ag15 116.34(4) . . ?
Ag3 Ag11 Ag15 171.53(4) . . ?
Ag10 Ag11 Ag15 114.08(4) . . ?
Ag7 Ag11 Ag15 64.81(3) . . ?
Ag6 Ag11 Ag15 65.04(3) . . ?
Ag28 Ag11 Ag15 96.49(3) . . ?
S21 Ag12 Ag1 162.56(8) . . ?
S21 Ag12 Ag11 137.69(8) . . ?
Ag1 Ag12 Ag11 58.98(3) . . ?
S21 Ag12 Ag3 129.08(7) . . ?
Ag1 Ag12 Ag3 59.28(3) . . ?
Ag11 Ag12 Ag3 60.10(3) . . ?
S21 Ag12 Ag7 120.30(8) . . ?
Ag1 Ag12 Ag7 58.15(3) . . ?
Ag11 Ag12 Ag7 62.32(3) . . ?
Ag3 Ag12 Ag7 109.64(4) . . ?
S21 Ag12 Ag13 111.28(8) . . ?
Ag1 Ag12 Ag13 56.98(3) . . ?
Ag11 Ag12 Ag13 107.38(4) . . ?
Ag3 Ag12 Ag13 60.22(3) . . ?
Ag7 Ag12 Ag13 105.70(4) . . ?
S21 Ag12 Ag8 105.90(8) . . ?
Ag1 Ag12 Ag8 57.69(3) . . ?
Ag11 Ag12 Ag8 107.91(4) . . ?
Ag3 Ag12 Ag8 108.81(4) . . ?
Ag7 Ag12 Ag8 57.32(3) . . ?
Ag13 Ag12 Ag8 59.84(3) . . ?
S21 Ag12 Ag29 51.90(7) . . ?
Ag1 Ag12 Ag29 144.35(4) . . ?
Ag11 Ag12 Ag29 92.10(3) . . ?
Ag3 Ag12 Ag29 89.24(3) . . ?
Ag7 Ag12 Ag29 129.51(4) . . ?
Ag13 Ag12 Ag29 123.92(4) . . ?
Ag8 Ag12 Ag29 157.80(4) . . ?
S23 Ag13 Ag1 158.71(9) . . ?
S23 Ag13 Ag4 131.94(8) . . ?
Ag1 Ag13 Ag4 59.43(3) . . ?
S23 Ag13 Ag9 139.96(8) . . ?
Ag1 Ag13 Ag9 59.63(3) . . ?
Ag4 Ag13 Ag9 60.41(3) . . ?
S23 Ag13 Ag3 117.50(8) . . ?
Ag1 Ag13 Ag3 58.66(3) . . ?
Ag4 Ag13 Ag3 110.08(4) . . ?
Ag9 Ag13 Ag3 62.48(3) . . ?
S23 Ag13 Ag12 101.49(8) . . ?
Ag1 Ag13 Ag12 57.99(3) . . ?
Ag4 Ag13 Ag12 109.29(4) . . ?
Ag9 Ag13 Ag12 108.59(4) . . ?
Ag3 Ag13 Ag12 57.65(3) . . ?
S23 Ag13 Ag8 108.54(8) . . ?
Ag1 Ag13 Ag8 58.23(3) . . ?
Ag4 Ag13 Ag8 60.79(3) . . ?
Ag9 Ag13 Ag8 109.06(4) . . ?
Ag3 Ag13 Ag8 107.26(4) . . ?
Ag12 Ag13 Ag8 60.49(3) . . ?
S23 Ag13 Ag26 52.51(8) . . ?
Ag1 Ag13 Ag26 148.40(4) . . ?
Ag4 Ag13 Ag26 94.45(4) . . ?
Ag9 Ag13 Ag26 93.05(4) . . ?
Ag3 Ag13 Ag26 125.41(4) . . ?
Ag12 Ag13 Ag26 153.52(4) . . ?
Ag8 Ag13 Ag26 127.17(4) . . ?
N1 Ag14 S7 99.8(4) . . ?
N1 Ag14 S1 95.8(4) . . ?
S7 Ag14 S1 118.77(12) . . ?
N1 Ag14 S5 88.9(4) . . ?
S7 Ag14 S5 118.06(12) . . ?
S1 Ag14 S5 121.05(13) . . ?
N1 Ag14 Ag2 145.9(4) . . ?
S7 Ag14 Ag2 105.30(8) . . ?
S1 Ag14 Ag2 51.77(7) . . ?
S5 Ag14 Ag2 98.97(9) . . ?
N1 Ag14 Ag4 140.0(4) . . ?
S7 Ag14 Ag4 97.99(8) . . ?
S1 Ag14 Ag4 106.34(8) . . ?
S5 Ag14 Ag4 51.16(7) . . ?
Ag2 Ag14 Ag4 58.29(3) . . ?
N1 Ag14 Ag5 150.9(4) . . ?
S7 Ag14 Ag5 51.09(7) . . ?
S1 Ag14 Ag5 99.06(8) . . ?
S5 Ag14 Ag5 104.27(8) . . ?
Ag2 Ag14 Ag5 58.43(3) . . ?
Ag4 Ag14 Ag5 57.54(3) . . ?
P1 Ag15 S11 105.31(11) . . ?
P1 Ag15 S19 106.84(12) . . ?
S11 Ag15 S19 113.74(10) . . ?
P1 Ag15 S9 98.84(12) . . ?
S11 Ag15 S9 116.10(10) . . ?
S19 Ag15 S9 113.96(10) . . ?
P1 Ag15 Ag11 153.60(10) . . ?
S11 Ag15 Ag11 89.02(7) . . ?
S19 Ag15 Ag11 46.76(7) . . ?
S9 Ag15 Ag11 94.31(8) . . ?
P2 Ag16 S21 106.57(12) . . ?
P2 Ag16 S23 105.80(11) . . ?
S21 Ag16 S23 114.32(10) . . ?
P2 Ag16 S13 107.97(11) . . ?
S21 Ag16 S13 111.61(10) . . ?
S23 Ag16 S13 110.14(10) . . ?
P3 Ag17 S15 105.58(13) . . ?
P3 Ag17 S17 101.61(12) . . ?
S15 Ag17 S17 113.71(10) . . ?
P3 Ag17 S3 112.33(12) . . ?
S15 Ag17 S3 113.02(11) . . ?
S17 Ag17 S3 109.99(10) . . ?
S16 Ag18 S2 126.50(13) . . ?
S16 Ag18 S7 115.76(12) . . ?
S2 Ag18 S7 113.06(12) . . ?
S16 Ag18 Ag5 112.74(8) . . ?
S2 Ag18 Ag5 113.95(10) . . ?
S7 Ag18 Ag5 51.68(7) . . ?
S16 Ag18 Ag20 51.17(8) . . ?
S2 Ag18 Ag20 103.84(9) . . ?
S7 Ag18 Ag20 135.12(8) . . ?
Ag5 Ag18 Ag20 90.75(4) . . ?
S16 Ag18 Ag19 106.18(9) . . ?
S2 Ag18 Ag19 50.19(8) . . ?
S7 Ag18 Ag19 131.03(9) . . ?
Ag5 Ag18 Ag19 90.00(4) . . ?
Ag20 Ag18 Ag19 59.99(3) . . ?
S16 Ag18 Cs3 56.12(9) . . ?
S2 Ag18 Cs3 95.15(10) . . ?
S7 Ag18 Cs3 100.32(9) . . ?
Ag5 Ag18 Cs3 145.12(5) . . ?
Ag20 Ag18 Cs3 100.91(5) . . ?
Ag19 Ag18 Cs3 124.33(5) . . ?
S20 Ag19 S2 128.92(13) . . ?
S20 Ag19 S9 114.96(11) . . ?
S2 Ag19 S9 113.99(12) . . ?
S20 Ag19 Ag20 50.33(8) . . ?
S2 Ag19 Ag20 103.50(10) . . ?
S9 Ag19 Ag20 131.31(8) . . ?
S20 Ag19 Ag6 115.62(8) . . ?
S2 Ag19 Ag6 106.65(9) . . ?
S9 Ag19 Ag6 49.42(7) . . ?
Ag20 Ag19 Ag6 91.56(4) . . ?
S20 Ag19 Ag18 106.02(9) . . ?
S2 Ag19 Ag18 50.46(9) . . ?
S9 Ag19 Ag18 127.35(8) . . ?
Ag20 Ag19 Ag18 59.36(3) . . ?
Ag6 Ag19 Ag18 84.03(4) . . ?
S20 Ag20 S16 132.78(11) . . ?
S20 Ag20 S17 114.25(11) . . ?
S16 Ag20 S17 112.15(11) . . ?
S20 Ag20 Ag18 107.26(8) . . ?
S16 Ag20 Ag18 50.75(9) . . ?
S17 Ag20 Ag18 122.65(8) . . ?
S20 Ag20 Ag19 50.36(8) . . ?
S16 Ag20 Ag19 106.40(9) . . ?
S17 Ag20 Ag19 125.46(8) . . ?
Ag18 Ag20 Ag19 60.65(3) . . ?
S20 Ag20 Ag10 105.80(8) . . ?
S16 Ag20 Ag10 111.25(9) . . ?
S17 Ag20 Ag10 48.08(8) . . ?
Ag18 Ag20 Ag10 84.23(3) . . ?
Ag19 Ag20 Ag10 82.87(3) . . ?
S10 Ag21 S6 125.93(13) . . ?
S10 Ag21 S1 115.56(12) . . ?
S6 Ag21 S1 112.32(13) . . ?
S10 Ag21 Ag2 114.69(9) . . ?
S6 Ag21 Ag2 113.79(9) . . ?
S1 Ag21 Ag2 52.15(7) . . ?
S10 Ag21 Ag22 51.86(8) . . ?
S6 Ag21 Ag22 104.04(10) . . ?
S1 Ag21 Ag22 136.88(8) . . ?
Ag2 Ag21 Ag22 92.60(4) . . ?
S10 Ag21 Ag23 105.87(10) . . ?
S6 Ag21 Ag23 49.59(8) . . ?
S1 Ag21 Ag23 133.67(8) . . ?
Ag2 Ag21 Ag23 92.69(4) . . ?
Ag22 Ag21 Ag23 60.04(3) . . ?
S22 Ag22 S10 128.75(11) . . ?
S22 Ag22 S11 118.58(11) . . ?
S10 Ag22 S11 110.84(11) . . ?
S22 Ag22 Ag21 106.65(9) . . ?
S10 Ag22 Ag21 51.19(9) . . ?
S11 Ag22 Ag21 122.76(8) . . ?
S22 Ag22 Ag23 50.13(9) . . ?
S10 Ag22 Ag23 106.36(9) . . ?
S11 Ag22 Ag23 128.89(8) . . ?
Ag21 Ag22 Ag23 61.22(3) . . ?
S22 Ag22 Ag7 112.42(8) . . ?
S10 Ag22 Ag7 109.25(9) . . ?
S11 Ag22 Ag7 49.50(7) . . ?
Ag21 Ag22 Ag7 82.69(4) . . ?
Ag23 Ag22 Ag7 85.91(3) . . ?
S22 Ag23 S6 127.87(12) . . ?
S22 Ag23 S13 114.41(11) . . ?
S6 Ag23 S13 116.39(12) . . ?
S22 Ag23 Ag22 50.40(9) . . ?
S6 Ag23 Ag22 103.76(10) . . ?
S13 Ag23 Ag22 126.65(8) . . ?
S22 Ag23 Ag8 116.72(8) . . ?
S6 Ag23 Ag8 104.48(10) . . ?
S13 Ag23 Ag8 49.76(8) . . ?
Ag22 Ag23 Ag8 88.41(4) . . ?
S22 Ag23 Ag21 104.59(9) . . ?
S6 Ag23 Ag21 50.61(9) . . ?
S13 Ag23 Ag21 126.64(9) . . ?
Ag22 Ag23 Ag21 58.74(3) . . ?
Ag8 Ag23 Ag21 81.01(4) . . ?
S14 Ag24 S8 126.22(12) . . ?
S14 Ag24 S5 117.88(13) . . ?
S8 Ag24 S5 110.51(13) . . ?
S14 Ag24 Ag4 114.44(9) . . ?
S8 Ag24 Ag4 113.30(9) . . ?
S5 Ag24 Ag4 51.59(8) . . ?
S14 Ag24 Ag26 52.23(8) . . ?
S8 Ag24 Ag26 104.88(9) . . ?
S5 Ag24 Ag26 135.77(9) . . ?
Ag4 Ag24 Ag26 90.49(4) . . ?
S14 Ag24 Ag25 105.97(9) . . ?
S8 Ag24 Ag25 50.37(8) . . ?
S5 Ag24 Ag25 130.49(9) . . ?
Ag4 Ag24 Ag25 90.81(4) . . ?
Ag26 Ag24 Ag25 59.97(3) . . ?
S8 Ag25 S4 128.78(12) . . ?
S8 Ag25 S15 117.70(12) . . ?
S4 Ag25 S15 111.25(11) . . ?
S8 Ag25 Ag26 106.12(10) . . ?
S4 Ag25 Ag26 50.80(9) . . ?
S15 Ag25 Ag26 125.44(8) . . ?
S8 Ag25 Ag24 51.85(10) . . ?
S4 Ag25 Ag24 105.81(9) . . ?
S15 Ag25 Ag24 129.05(8) . . ?
Ag26 Ag25 Ag24 59.87(3) . . ?
S8 Ag25 Ag9 109.40(9) . . ?
S4 Ag25 Ag9 113.31(9) . . ?
S15 Ag25 Ag9 49.41(8) . . ?
Ag26 Ag25 Ag9 87.35(4) . . ?
Ag24 Ag25 Ag9 84.43(4) . . ?
S4 Ag26 S14 127.59(12) . . ?
S4 Ag26 S23 122.35(11) . . ?
S14 Ag26 S23 107.61(11) . . ?
S4 Ag26 Ag24 106.29(9) . . ?
S14 Ag26 Ag24 50.77(9) . . ?
S23 Ag26 Ag24 122.18(8) . . ?
S4 Ag26 Ag25 51.03(8) . . ?
S14 Ag26 Ag25 104.87(9) . . ?
S23 Ag26 Ag25 133.13(8) . . ?
Ag24 Ag26 Ag25 60.16(3) . . ?
S4 Ag26 Ag13 113.99(9) . . ?
S14 Ag26 Ag13 109.59(8) . . ?
S23 Ag26 Ag13 49.79(7) . . ?
Ag24 Ag26 Ag13 84.36(3) . . ?
Ag25 Ag26 Ag13 87.82(4) . . ?
S24 Ag27 S18 130.81(11) . . ?
S24 Ag27 S3 115.67(11) . . ?
S18 Ag27 S3 111.97(11) . . ?
S24 Ag27 Ag28 105.94(8) . . ?
S18 Ag27 Ag28 51.86(7) . . ?
S3 Ag27 Ag28 124.69(7) . . ?
S24 Ag27 Ag29 50.05(7) . . ?
S18 Ag27 Ag29 107.41(8) . . ?
S3 Ag27 Ag29 126.70(7) . . ?
Ag28 Ag27 Ag29 60.56(3) . . ?
S24 Ag27 Ag3 106.09(8) . . ?
S18 Ag27 Ag3 114.28(8) . . ?
S3 Ag27 Ag3 48.32(6) . . ?
Ag28 Ag27 Ag3 87.07(3) . . ?
Ag29 Ag27 Ag3 83.38(3) . . ?
S18 Ag28 S12 127.89(10) . . ?
S18 Ag28 S19 118.12(11) . . ?
S12 Ag28 S19 110.58(10) . . ?
S18 Ag28 Ag27 51.77(8) . . ?
S12 Ag28 Ag27 105.34(8) . . ?
S19 Ag28 Ag27 132.50(8) . . ?
S18 Ag28 Ag29 108.23(8) . . ?
S12 Ag28 Ag29 50.11(8) . . ?
S19 Ag28 Ag29 125.17(8) . . ?
Ag27 Ag28 Ag29 61.54(3) . . ?
S18 Ag28 Ag11 113.52(8) . . ?
S12 Ag28 Ag11 111.61(7) . . ?
S19 Ag28 Ag11 49.28(7) . . ?
Ag27 Ag28 Ag11 89.15(3) . . ?
Ag29 Ag28 Ag11 87.00(3) . . ?
S12 Ag29 S24 126.25(11) . . ?
S12 Ag29 S21 116.57(10) . . ?
S24 Ag29 S21 114.75(11) . . ?
S12 Ag29 Ag28 51.20(8) . . ?
S24 Ag29 Ag28 103.16(8) . . ?
S21 Ag29 Ag28 130.38(7) . . ?
S12 Ag29 Ag27 103.01(8) . . ?
S24 Ag29 Ag27 49.70(8) . . ?
S21 Ag29 Ag27 130.56(8) . . ?
Ag28 Ag29 Ag27 57.90(3) . . ?
S12 Ag29 Ag12 111.22(8) . . ?
S24 Ag29 Ag12 113.76(8) . . ?
S21 Ag29 Ag12 48.90(7) . . ?
Ag28 Ag29 Ag12 87.60(3) . . ?
Ag27 Ag29 Ag12 90.75(3) . . ?
C2 S1 Ag2 104.1(4) . . ?
C2 S1 Ag21 116.0(5) . . ?
Ag2 S1 Ag21 72.82(10) . . ?
C2 S1 Ag14 106.6(5) . . ?
Ag2 S1 Ag14 73.57(9) . . ?
Ag21 S1 Ag14 130.61(13) . . ?
C6 S2 Ag19 103.5(5) . . ?
C6 S2 Ag18 110.2(5) . . ?
Ag19 S2 Ag18 79.35(10) . . ?
C6 S2 Cs3B 91.4(4) . 2_776 ?
Ag19 S2 Cs3B 148.10(16) . 2_776 ?
Ag18 S2 Cs3B 122.01(14) . 2_776 ?
C6 S2 Cs3 107.8(4) . 2_776 ?
Ag19 S2 Cs3 131.45(14) . 2_776 ?
Ag18 S2 Cs3 121.20(15) . 2_776 ?
C6 C1 C2 120.8(13) . . ?
C6 C1 H1 119.6 . . ?
C2 C1 H1 119.6 . . ?
C1 C2 C3 120.2(14) . . ?
C1 C2 S1 119.4(11) . . ?
C3 C2 S1 120.4(12) . . ?
C4 C3 C2 116.3(15) . . ?
C4 C3 H2 121.8 . . ?
C2 C3 H2 121.8 . . ?
C5 C4 C3 124.7(14) . . ?
C5 C4 H3 117.6 . . ?
C3 C4 H3 117.6 . . ?
C4 C5 C6 118.3(14) . . ?
C4 C5 Cs3B 132.9(9) . 2_776 ?
C6 C5 Cs3B 87.4(10) . 2_776 ?
C4 C5 H4 120.9 . . ?
C6 C5 H4 120.9 . . ?
Cs3B C5 H4 51.7 2_776 . ?
C1 C6 C5 119.5(15) . . ?
C1 C6 S2 121.6(11) . . ?
C5 C6 S2 118.9(12) . . ?
C1 C6 Cs3B 141.0(10) . 2_776 ?
C5 C6 Cs3B 71.7(9) . 2_776 ?
S2 C6 Cs3B 61.3(4) . 2_776 ?
C8 S3 Ag3 109.8(4) . . ?
C8 S3 Ag27 122.3(4) . . ?
Ag3 S3 Ag27 79.57(9) . . ?
C8 S3 Ag17 93.0(4) . . ?
Ag3 S3 Ag17 89.93(10) . . ?
Ag27 S3 Ag17 144.72(13) . . ?
C12 S4 Ag26 110.2(4) . . ?
C12 S4 Ag25 103.8(4) . . ?
Ag26 S4 Ag25 78.16(10) . . ?
C12 C7 C8 121.8(11) . . ?
C12 C7 H5 119.1 . . ?
C8 C7 H5 119.1 . . ?
C7 C8 C9 117.9(12) . . ?
C7 C8 S3 122.8(9) . . ?
C9 C8 S3 118.6(10) . . ?
C10 C9 C8 119.2(13) . . ?
C10 C9 H6 120.4 . . ?
C8 C9 H6 120.4 . . ?
C11 C10 C9 121.3(12) . . ?
C11 C10 H7 119.3 . . ?
C9 C10 H7 119.3 . . ?
C10 C11 C12 120.6(12) . . ?
C10 C11 H8 119.7 . . ?
C12 C11 H8 119.7 . . ?
C7 C12 C11 119.0(12) . . ?
C7 C12 S4 122.6(9) . . ?
C11 C12 S4 118.3(10) . . ?
C14 S5 Ag4 103.5(5) . . ?
C14 S5 Ag24 113.4(5) . . ?
Ag4 S5 Ag24 74.41(9) . . ?
C14 S5 Ag14 105.6(5) . . ?
Ag4 S5 Ag14 73.95(9) . . ?
Ag24 S5 Ag14 134.15(15) . . ?
C18 S6 Ag23 102.1(5) . . ?
C18 S6 Ag21 111.2(5) . . ?
Ag23 S6 Ag21 79.81(11) . . ?
C18 S6 Cs1 100.3(4) . . ?
Ag23 S6 Cs1 149.58(16) . . ?
Ag21 S6 Cs1 110.66(12) . . ?
C18 S6 Cs1B 111.3(5) . . ?
Ag23 S6 Cs1B 136.48(18) . . ?
Ag21 S6 Cs1B 111.36(14) . . ?
C18 C13 C14 121.9(14) . . ?
C18 C13 H9 119.1 . . ?
C14 C13 H9 119.1 . . ?
C15 C14 C13 119.3(15) . . ?
C15 C14 S5 121.3(13) . . ?
C13 C14 S5 119.4(11) . . ?
C14 C15 C16 120.9(16) . . ?
C14 C15 H10 119.6 . . ?
C16 C15 H10 119.6 . . ?
C15 C16 C17 121.8(15) . . ?
C15 C16 H11 119.1 . . ?
C17 C16 H11 119.1 . . ?
C16 C17 C18 118.5(15) . . ?
C16 C17 H12 120.8 . . ?
C18 C17 H12 120.8 . . ?
C13 C18 C17 117.6(15) . . ?
C13 C18 S6 122.2(12) . . ?
C17 C18 S6 120.2(13) . . ?
C20 S7 Ag5 106.1(4) . . ?
C20 S7 Ag14 102.8(5) . . ?
Ag5 S7 Ag14 75.59(10) . . ?
C20 S7 Ag18 118.9(5) . . ?
Ag5 S7 Ag18 73.81(9) . . ?
Ag14 S7 Ag18 133.45(15) . . ?
C24 S8 Ag25 105.9(5) . . ?
C24 S8 Ag24 109.4(5) . . ?
Ag25 S8 Ag24 77.78(11) . . ?
C24 S8 Cs2 109.1(5) . 2_765 ?
Ag25 S8 Cs2 137.41(13) . 2_765 ?
Ag24 S8 Cs2 111.57(13) . 2_765 ?
C20 C19 C24 123.9(13) . . ?
C20 C19 H13 118.0 . . ?
C24 C19 H13 118.0 . . ?
C19 C20 C21 117.1(14) . . ?
C19 C20 S7 122.7(12) . . ?
C21 C20 S7 120.1(11) . . ?
C22 C21 C20 119.4(16) . . ?
C22 C21 H14 120.3 . . ?
C20 C21 H14 120.3 . . ?
C21 C22 C23 123.8(18) . . ?
C21 C22 H15 118.1 . . ?
C23 C22 H15 118.1 . . ?
C22 C23 C24 119.4(17) . . ?
C22 C23 H16 120.3 . . ?
C24 C23 H16 120.3 . . ?
C19 C24 C23 116.3(13) . . ?
C19 C24 S8 123.3(11) . . ?
C23 C24 S8 120.3(12) . . ?
C26 S9 Ag6 107.8(4) . . ?
C26 S9 Ag19 122.9(4) . . ?
Ag6 S9 Ag19 77.65(10) . . ?
C26 S9 Ag15 97.8(4) . . ?
Ag6 S9 Ag15 84.90(10) . . ?
Ag19 S9 Ag15 138.88(13) . . ?
C30 S10 Ag21 108.1(5) . . ?
C30 S10 Ag22 109.0(4) . . ?
Ag21 S10 Ag22 76.96(10) . . ?
C30 S10 Cs1B 99.5(4) . 2_766 ?
Ag21 S10 Cs1B 108.16(14) . 2_766 ?
Ag22 S10 Cs1B 147.97(18) . 2_766 ?
C30 S10 Cs1 104.0(4) . 2_766 ?
Ag21 S10 Cs1 117.30(12) . 2_766 ?
Ag22 S10 Cs1 137.41(15) . 2_766 ?
C26 C25 C30 124.2(11) . . ?
C26 C25 H17 117.9 . . ?
C30 C25 H17 117.9 . . ?
C25 C26 C27 118.5(12) . . ?
C25 C26 S9 121.5(9) . . ?
C27 C26 S9 119.0(10) . . ?
C26 C27 C28 120.1(13) . . ?
C26 C27 H18 120.0 . . ?
C28 C27 H18 120.0 . . ?
C29 C28 C27 120.0(12) . . ?
C29 C28 H19 120.0 . . ?
C27 C28 H19 120.0 . . ?
C28 C29 C30 120.9(13) . . ?
C28 C29 Cs1B 142.6(9) . 2_766 ?
C30 C29 Cs1B 91.7(9) . 2_766 ?
C28 C29 H20 119.6 . . ?
C30 C29 H20 119.6 . . ?
Cs1B C29 H20 33.4 2_766 . ?
C25 C30 C29 116.4(13) . . ?
C25 C30 S10 124.0(10) . . ?
C29 C30 S10 119.6(10) . . ?
C32 S11 Ag7 108.2(4) . . ?
C32 S11 Ag22 117.9(4) . . ?
Ag7 S11 Ag22 78.10(9) . . ?
C32 S11 Ag15 100.3(4) . . ?
Ag7 S11 Ag15 85.04(10) . . ?
Ag22 S11 Ag15 141.35(14) . . ?
C36 S12 Ag29 104.3(4) . . ?
C36 S12 Ag28 107.9(4) . . ?
Ag29 S12 Ag28 78.69(10) . . ?
C36 C31 C32 124.3(12) . . ?
C36 C31 H21 117.9 . . ?
C32 C31 H21 117.9 . . ?
C31 C32 C33 117.6(12) . . ?
C31 C32 S11 123.6(10) . . ?
C33 C32 S11 118.6(9) . . ?
C34 C33 C32 120.1(12) . . ?
C34 C33 H22 120.0 . . ?
C32 C33 H22 120.0 . . ?
C33 C34 C35 120.2(12) . . ?
C33 C34 H23 119.9 . . ?
C35 C34 H23 119.9 . . ?
C36 C35 C34 120.6(12) . . ?
C36 C35 H24 119.7 . . ?
C34 C35 H24 119.7 . . ?
C31 C36 C35 117.1(11) . . ?
C31 C36 S12 124.3(9) . . ?
C35 C36 S12 118.6(9) . . ?
C38 S13 Ag8 108.3(5) . . ?
C38 S13 Ag23 122.1(4) . . ?
Ag8 S13 Ag23 77.62(9) . . ?
C38 S13 Ag16 96.4(4) . . ?
Ag8 S13 Ag16 89.97(10) . . ?
Ag23 S13 Ag16 141.44(14) . . ?
C42 S14 Ag24 109.8(4) . . ?
C42 S14 Ag26 107.8(4) . . ?
Ag24 S14 Ag26 77.00(10) . . ?
C42 S14 Cs2 102.4(4) . . ?
Ag24 S14 Cs2 107.30(12) . . ?
Ag26 S14 Cs2 145.95(13) . . ?
C38 C37 C42 122.3(12) . . ?
C38 C37 H25 118.9 . . ?
C42 C37 H25 118.9 . . ?
C37 C38 C39 118.6(13) . . ?
C37 C38 S13 121.2(10) . . ?
C39 C38 S13 119.7(11) . . ?
C40 C39 C38 119.6(15) . . ?
C40 C39 H26 120.2 . . ?
C38 C39 H26 120.2 . . ?
C39 C40 C41 121.2(14) . . ?
C39 C40 H27 119.4 . . ?
C41 C40 H27 119.4 . . ?
C40 C41 C42 120.9(13) . . ?
C40 C41 H28 119.5 . . ?
C42 C41 H28 119.5 . . ?
C41 C42 C37 117.3(13) . . ?
C41 C42 S14 120.2(10) . . ?
C37 C42 S14 122.4(10) . . ?
C44 S15 Ag9 106.0(6) . . ?
C44 S15 Ag25 116.2(6) . . ?
Ag9 S15 Ag25 78.58(10) . . ?
C44 S15 Ag17 100.8(6) . . ?
Ag9 S15 Ag17 86.82(11) . . ?
Ag25 S15 Ag17 142.60(14) . . ?
C48 S16 Ag18 106.1(6) . . ?
C48 S16 Ag20 109.9(5) . . ?
Ag18 S16 Ag20 78.08(11) . . ?
C48 S16 Cs3 105.8(5) . . ?
Ag18 S16 Cs3 88.43(11) . . ?
Ag20 S16 Cs3 144.01(14) . . ?
C48 S16 Cs3B 112.9(5) . . ?
Ag18 S16 Cs3B 102.12(12) . . ?
Ag20 S16 Cs3B 135.03(14) . . ?
C48 C43 C44 121.5(15) . . ?
C48 C43 H29 119.3 . . ?
C44 C43 H29 119.3 . . ?
C45 C44 C43 119.7(14) . . ?
C45 C44 S15 118.8(12) . . ?
C43 C44 S15 121.0(12) . . ?
C44 C45 C46 119.8(15) . . ?
C44 C45 H30 120.1 . . ?
C46 C45 H30 120.1 . . ?
C47 C46 C45 120.2(15) . . ?
C47 C46 H31 119.9 . . ?
C45 C46 H31 119.9 . . ?
C46 C47 C48 119.5(14) . . ?
C46 C47 H32 120.3 . . ?
C48 C47 H32 120.3 . . ?
C43 C48 C47 118.6(15) . . ?
C43 C48 S16 121.2(12) . . ?
C47 C48 S16 120.1(11) . . ?
C50 S17 Ag10 110.1(4) . . ?
C50 S17 Ag20 120.8(4) . . ?
Ag10 S17 Ag20 81.02(10) . . ?
C50 S17 Ag17 96.5(4) . . ?
Ag10 S17 Ag17 88.75(11) . . ?
Ag20 S17 Ag17 142.60(14) . . ?
C54 S18 Ag27 105.2(4) . . ?
C54 S18 Ag28 110.8(4) . . ?
Ag27 S18 Ag28 76.37(9) . . ?
C50 C49 C54 122.0(11) . . ?
C50 C49 H33 119.0 . . ?
C54 C49 H33 119.0 . . ?
C49 C50 C51 119.1(12) . . ?
C49 C50 S17 121.4(10) . . ?
C51 C50 S17 119.1(10) . . ?
C52 C51 C50 119.7(13) . . ?
C52 C51 H34 120.1 . . ?
C50 C51 H34 120.1 . . ?
C51 C52 C53 121.2(13) . . ?
C51 C52 H35 119.4 . . ?
C53 C52 H35 119.4 . . ?
C54 C53 C52 120.7(13) . . ?
C54 C53 H36 119.6 . . ?
C52 C53 H36 119.6 . . ?
C53 C54 C49 117.2(12) . . ?
C53 C54 S18 120.0(10) . . ?
C49 C54 S18 122.8(9) . . ?
C56 S19 Ag11 103.7(4) . . ?
C56 S19 Ag28 111.7(4) . . ?
Ag11 S19 Ag28 78.97(9) . . ?
C56 S19 Ag15 104.2(4) . . ?
Ag11 S19 Ag15 82.91(9) . . ?
Ag28 S19 Ag15 142.69(13) . . ?
C60 S20 Ag20 105.1(4) . . ?
C60 S20 Ag19 108.2(4) . . ?
Ag20 S20 Ag19 79.32(10) . . ?
C56 C55 C60 122.1(11) . . ?
C56 C55 H37 119.0 . . ?
C60 C55 H37 119.0 . . ?
C55 C56 C57 118.6(12) . . ?
C55 C56 S19 122.7(9) . . ?
C57 C56 S19 118.7(9) . . ?
C58 C57 C56 119.8(12) . . ?
C58 C57 H38 120.1 . . ?
C56 C57 H38 120.1 . . ?
C57 C58 C59 121.2(13) . . ?
C57 C58 H39 119.4 . . ?
C59 C58 H39 119.4 . . ?
C60 C59 C58 119.8(14) . . ?
C60 C59 H40 120.1 . . ?
C58 C59 H40 120.1 . . ?
C55 C60 C59 118.5(12) . . ?
C55 C60 S20 122.4(9) . . ?
C59 C60 S20 119.0(11) . . ?
C62 S21 Ag12 107.9(4) . . ?
C62 S21 Ag29 120.8(4) . . ?
Ag12 S21 Ag29 79.20(9) . . ?
C62 S21 Ag16 99.9(4) . . ?
Ag12 S21 Ag16 85.86(10) . . ?
Ag29 S21 Ag16 139.09(13) . . ?
C66 S22 Ag23 105.9(4) . . ?
C66 S22 Ag22 105.8(4) . . ?
Ag23 S22 Ag22 79.47(11) . . ?
C62 C61 C66 120.8(12) . . ?
C62 C61 H41 119.6 . . ?
C66 C61 H41 119.6 . . ?
C61 C62 C63 119.6(12) . . ?
C61 C62 S21 120.8(10) . . ?
C63 C62 S21 119.0(9) . . ?
C62 C63 C64 119.9(12) . . ?
C62 C63 H42 120.1 . . ?
C64 C63 H42 120.1 . . ?
C65 C64 C63 119.7(13) . . ?
C65 C64 H43 120.1 . . ?
C63 C64 H43 120.1 . . ?
C64 C65 C66 121.8(13) . . ?
C64 C65 H44 119.1 . . ?
C66 C65 H44 119.1 . . ?
C65 C66 C61 118.2(11) . . ?
C65 C66 S22 119.6(10) . . ?
C61 C66 S22 122.1(10) . . ?
C68 S23 Ag13 103.9(4) . . ?
C68 S23 Ag26 110.1(4) . . ?
Ag13 S23 Ag26 77.70(10) . . ?
C68 S23 Ag16 101.6(4) . . ?
Ag13 S23 Ag16 89.03(10) . . ?
Ag26 S23 Ag16 147.70(13) . . ?
C72 S24 Ag27 103.2(4) . . ?
C72 S24 Ag29 109.4(4) . . ?
Ag27 S24 Ag29 80.25(9) . . ?
C68 C67 C72 120.1(10) . . ?
C68 C67 H45 119.9 . . ?
C72 C67 H45 119.9 . . ?
C67 C68 C69 119.4(11) . . ?
C67 C68 S23 121.6(8) . . ?
C69 C68 S23 119.0(10) . . ?
C68 C69 C70 119.8(13) . . ?
C68 C69 H46 120.1 . . ?
C70 C69 H46 120.1 . . ?
C71 C70 C69 120.9(12) . . ?
C71 C70 H47 119.6 . . ?
C69 C70 H47 119.6 . . ?
C70 C71 C72 121.1(12) . . ?
C70 C71 H48 119.5 . . ?
C72 C71 H48 119.5 . . ?
C71 C72 C67 118.7(12) . . ?
C71 C72 S24 120.9(10) . . ?
C67 C72 S24 120.3(9) . . ?
C85 P1 C79 103.9(7) . . ?
C85 P1 C73 103.2(7) . . ?
C79 P1 C73 104.3(7) . . ?
C85 P1 Ag15 113.9(5) . . ?
C79 P1 Ag15 110.3(5) . . ?
C73 P1 Ag15 119.7(5) . . ?
C78 C73 C74 120.1(14) . . ?
C78 C73 P1 119.2(11) . . ?
C74 C73 P1 120.6(13) . . ?
C73 C74 C75 120.7(17) . . ?
C73 C74 H49 119.6 . . ?
C75 C74 H49 119.6 . . ?
C76 C75 C74 117.9(16) . . ?
C76 C75 H50 121.1 . . ?
C74 C75 H50 121.1 . . ?
C77 C76 C75 119.4(16) . . ?
C77 C76 H51 120.3 . . ?
C75 C76 H51 120.3 . . ?
C76 C77 C78 122.8(17) . . ?
C76 C77 H52 118.6 . . ?
C78 C77 H52 118.6 . . ?
C73 C78 C77 118.9(15) . . ?
C73 C78 H53 120.5 . . ?
C77 C78 H53 120.5 . . ?
C84 C79 C80 117.7(17) . . ?
C84 C79 P1 125.0(15) . . ?
C80 C79 P1 117.1(13) . . ?
C79 C80 C81 123(2) . . ?
C79 C80 H54 118.5 . . ?
C81 C80 H54 118.5 . . ?
C82 C81 C80 121(2) . . ?
C82 C81 H55 119.6 . . ?
C80 C81 H55 119.6 . . ?
C81 C82 C83 117(2) . . ?
C81 C82 H56 121.3 . . ?
C83 C82 H56 121.3 . . ?
C82 C83 C84 120(2) . . ?
C82 C83 H57 119.8 . . ?
C84 C83 H57 119.8 . . ?
C79 C84 C83 120(2) . . ?
C79 C84 H58 119.8 . . ?
C83 C84 H58 119.8 . . ?
C86 C85 C90 117.9(15) . . ?
C86 C85 P1 124.3(13) . . ?
C90 C85 P1 117.8(11) . . ?
C87 C86 C85 118.5(18) . . ?
C87 C86 H59 120.8 . . ?
C85 C86 H59 120.8 . . ?
C88 C87 C86 123.6(19) . . ?
C88 C87 H60 118.2 . . ?
C86 C87 H60 118.2 . . ?
C87 C88 C89 118.2(18) . . ?
C87 C88 H61 120.9 . . ?
C89 C88 H61 120.9 . . ?
C88 C89 C90 119.7(18) . . ?
C88 C89 H62 120.2 . . ?
C90 C89 H62 120.2 . . ?
C89 C90 C85 122.1(15) . . ?
C89 C90 H63 118.9 . . ?
C85 C90 H63 118.9 . . ?
C97 P2 C91 102.8(7) . . ?
C97 P2 C103 104.7(8) . . ?
C91 P2 C103 104.4(7) . . ?
C97 P2 Ag16 111.7(5) . . ?
C91 P2 Ag16 118.2(5) . . ?
C103 P2 Ag16 113.6(5) . . ?
C92 C91 C96 119.3(14) . . ?
C92 C91 P2 123.6(13) . . ?
C96 C91 P2 117.1(10) . . ?
C91 C92 C93 120.7(16) . . ?
C91 C92 H64 119.7 . . ?
C93 C92 H64 119.7 . . ?
C94 C93 C92 119.1(15) . . ?
C94 C93 H65 120.4 . . ?
C92 C93 H65 120.4 . . ?
C93 C94 C95 121.0(17) . . ?
C93 C94 H66 119.5 . . ?
C95 C94 H66 119.5 . . ?
C96 C95 C94 119.3(18) . . ?
C96 C95 H67 120.4 . . ?
C94 C95 H67 120.4 . . ?
C95 C96 C91 120.5(15) . . ?
C95 C96 H68 119.8 . . ?
C91 C96 H68 119.8 . . ?
C102 C97 C98 118.8(16) . . ?
C102 C97 P2 124.6(14) . . ?
C98 C97 P2 116.4(12) . . ?
C99 C98 C97 122.2(17) . . ?
C99 C98 H69 118.9 . . ?
C97 C98 H69 118.9 . . ?
C98 C99 C100 118.9(19) . . ?
C98 C99 H70 120.6 . . ?
C100 C99 H70 120.6 . . ?
C101 C100 C99 118.8(19) . . ?
C101 C100 H71 120.6 . . ?
C99 C100 H71 120.6 . . ?
C100 C101 C102 121.0(18) . . ?
C100 C101 H72 119.5 . . ?
C102 C101 H72 119.5 . . ?
C97 C102 C101 120.1(19) . . ?
C97 C102 H73 119.9 . . ?
C101 C102 H73 119.9 . . ?
C104 C103 C108 118.5(15) . . ?
C104 C103 P2 118.5(11) . . ?
C108 C103 P2 122.9(13) . . ?
C103 C104 C105 120.5(14) . . ?
C103 C104 H74 119.7 . . ?
C105 C104 H74 119.7 . . ?
C104 C105 C106 121.1(17) . . ?
C104 C105 H75 119.5 . . ?
C106 C105 H75 119.5 . . ?
C107 C106 C105 120(2) . . ?
C107 C106 H76 120.2 . . ?
C105 C106 H76 120.2 . . ?
C106 C107 C108 119(2) . . ?
C106 C107 H77 120.5 . . ?
C108 C107 H77 120.5 . . ?
C107 C108 C103 121(2) . . ?
C107 C108 H78 119.4 . . ?
C103 C108 H78 119.4 . . ?
C121 P3 C115 106.2(8) . . ?
C121 P3 C109 103.6(7) . . ?
C115 P3 C109 104.0(8) . . ?
C121 P3 Ag17 116.9(5) . . ?
C115 P3 Ag17 110.4(5) . . ?
C109 P3 Ag17 114.6(5) . . ?
C110 C109 C114 119.9(17) . . ?
C110 C109 P3 118.6(13) . . ?
C114 C109 P3 121.4(15) . . ?
C109 C110 C111 120.6(18) . . ?
C109 C110 H79 119.7 . . ?
C111 C110 H79 119.7 . . ?
C110 C111 C112 121(2) . . ?
C110 C111 H80 119.5 . . ?
C112 C111 H80 119.5 . . ?
C113 C112 C111 118(2) . . ?
C113 C112 H81 121.0 . . ?
C111 C112 H81 121.0 . . ?
C112 C113 C114 124(2) . . ?
C112 C113 H82 118.0 . . ?
C114 C113 H82 118.0 . . ?
C113 C114 C109 116(2) . . ?
C113 C114 H83 121.8 . . ?
C109 C114 H83 121.8 . . ?
C116 C115 C120 121.0(18) . . ?
C116 C115 P3 118.1(15) . . ?
C120 C115 P3 119.6(15) . . ?
C115 C116 C117 118(2) . . ?
C115 C116 H84 120.8 . . ?
C117 C116 H84 120.8 . . ?
C118 C117 C116 127(3) . . ?
C118 C117 H85 116.4 . . ?
C116 C117 H85 116.4 . . ?
C117 C118 C119 117(2) . . ?
C117 C118 H86 121.3 . . ?
C119 C118 H86 121.3 . . ?
C118 C119 C120 119(3) . . ?
C118 C119 H87 120.6 . . ?
C120 C119 H87 120.6 . . ?
C115 C120 C119 117(2) . . ?
C115 C120 H88 121.6 . . ?
C119 C120 H88 121.6 . . ?
C122 C121 C126 118.5(16) . . ?
C122 C121 P3 125.0(15) . . ?
C126 C121 P3 116.5(11) . . ?
C121 C122 C123 123(2) . . ?
C121 C122 H89 118.7 . . ?
C123 C122 H89 118.7 . . ?
C124 C123 C122 118(2) . . ?
C124 C123 H90 121.1 . . ?
C122 C123 H90 121.1 . . ?
C123 C124 C125 123(2) . . ?
C123 C124 H91 118.5 . . ?
C125 C124 H91 118.5 . . ?
C126 C125 C124 117(2) . . ?
C126 C125 H92 121.4 . . ?
C124 C125 H92 121.4 . . ?
C125 C126 C121 120.9(17) . . ?
C125 C126 H93 119.6 . . ?
C121 C126 H93 119.6 . . ?
C131 N1 C127 116.8(15) . . ?
C131 N1 Ag14 122.8(12) . . ?
C127 N1 Ag14 119.9(12) . . ?
N1 C127 C128 121.3(19) . . ?
N1 C127 H94 119.3 . . ?
C128 C127 H94 119.3 . . ?
C129 C128 C127 120.6(19) . . ?
C129 C128 H95 119.7 . . ?
C127 C128 H95 119.7 . . ?
C130 C129 C128 116.7(17) . . ?
C130 C129 H96 121.7 . . ?
C128 C129 H96 121.7 . . ?
C129 C130 C131 120(2) . . ?
C129 C130 H97 119.9 . . ?
C131 C130 H97 119.9 . . ?
N1 C131 C130 123.7(19) . . ?
N1 C131 H98 118.2 . . ?
C130 C131 H98 118.2 . . ?
N3 Cs1 N2 165.3(5) . . ?
N3 Cs1 S6 103.8(4) . . ?
N2 Cs1 S6 69.7(2) . . ?
N3 Cs1 C132 91.6(6) . 2_766 ?
N2 Cs1 C132 74.2(5) . 2_766 ?
S6 Cs1 C132 76.9(3) . 2_766 ?
N3 Cs1 N2 102.6(5) . 2_766 ?
N2 Cs1 N2 65.3(4) . 2_766 ?
S6 Cs1 N2 92.3(2) . 2_766 ?
C132 Cs1 N2 21.6(4) 2_766 2_766 ?
N3 Cs1 S10 99.2(4) . 2_766 ?
N2 Cs1 S10 85.7(2) . 2_766 ?
S6 Cs1 S10 155.17(11) . 2_766 ?
C132 Cs1 S10 93.5(3) 2_766 2_766 ?
N2 Cs1 S10 73.6(2) 2_766 2_766 ?
N3 Cs1 C141 21.92(17) . . ?
N2 Cs1 C141 151.9(3) . . ?
S6 Cs1 C141 83.0(3) . . ?
C132 Cs1 C141 93.5(5) 2_766 . ?
N2 Cs1 C141 110.6(4) 2_766 . ?
S10 Cs1 C141 120.8(3) 2_766 . ?
N3 Cs1 C133 69.7(5) . 2_766 ?
N2 Cs1 C133 96.0(4) . 2_766 ?
S6 Cs1 C133 81.4(3) . 2_766 ?
C132 Cs1 C133 22.0(5) 2_766 2_766 ?
N2 Cs1 C133 38.6(4) 2_766 2_766 ?
S10 Cs1 C133 98.3(3) 2_766 2_766 ?
C141 Cs1 C133 72.6(5) . 2_766 ?
N3 Cs1 C136 90.0(5) . 2_766 ?
N2 Cs1 C136 80.8(4) . 2_766 ?
S6 Cs1 C136 112.2(2) . 2_766 ?
C132 Cs1 C136 36.1(3) 2_766 2_766 ?
N2 Cs1 C136 21.3(3) 2_766 2_766 ?
S10 Cs1 C136 58.2(2) 2_766 2_766 ?
C141 Cs1 C136 104.4(4) . 2_766 ?
C133 Cs1 C136 42.1(4) 2_766 2_766 ?
N3 Cs1 Cs1 134.0(4) . 2_766 ?
N2 Cs1 Cs1 33.4(3) . 2_766 ?
S6 Cs1 Cs1 79.82(7) . 2_766 ?
C132 Cs1 Cs1 43.8(4) 2_766 2_766 ?
N2 Cs1 Cs1 31.9(3) 2_766 2_766 ?
S10 Cs1 Cs1 77.56(7) 2_766 2_766 ?
C141 Cs1 Cs1 136.6(3) . 2_766 ?
C133 Cs1 Cs1 65.6(4) 2_766 2_766 ?
C136 Cs1 Cs1 48.8(3) 2_766 2_766 ?
N2 Cs1B N4 134.7(10) . . ?
N2 Cs1B C132 21.8(4) . . ?
N4 Cs1B C132 131.6(10) . . ?
N2 Cs1B S10 98.8(3) . 2_766 ?
C132 Cs1B S10 78.9(3) . 2_766 ?
N2 Cs1B S6 77.3(3) . . ?
N4 Cs1B S6 91.8(9) . . ?
C132 Cs1B S6 98.9(3) . . ?
S10 Cs1B S6 163.6(2) 2_766 . ?
N2 Cs1B N2 70.1(4) . 2_766 ?
C132 Cs1B N2 72.6(5) . 2_766 ?
S10 Cs1B N2 73.3(2) 2_766 2_766 ?
S6 Cs1B N2 90.4(2) . 2_766 ?
N2 Cs1B C136 16.1(4) . . ?
N4 Cs1B C136 124.9(10) . . ?
C132 Cs1B C136 36.7(4) . . ?
S10 Cs1B C136 114.8(3) 2_766 . ?
S6 Cs1B C136 62.4(3) . . ?
N2 Cs1B C136 77.8(4) 2_766 . ?
N2 Cs1B C132 77.4(5) . 2_766 ?
C132 Cs1B C132 86.4(5) . 2_766 ?
S10 Cs1B C132 90.3(3) 2_766 2_766 ?
S6 Cs1B C132 73.2(3) . 2_766 ?
N2 Cs1B C132 20.3(4) 2_766 2_766 ?
C136 Cs1B C132 79.7(5) . 2_766 ?
N2 Cs1B C29 116.2(4) . 2_766 ?
C132 Cs1B C29 95.5(4) . 2_766 ?
S10 Cs1B C29 44.2(2) 2_766 2_766 ?
S6 Cs1B C29 151.5(3) . 2_766 ?
N2 Cs1B C29 117.4(3) 2_766 2_766 ?
C136 Cs1B C29 126.3(4) . 2_766 ?
C132 Cs1B C29 132.4(4) 2_766 2_766 ?
N2 Cs1B Cs1B 40.8(3) . 2_766 ?
C132 Cs1B Cs1B 46.3(3) . 2_766 ?
S10 Cs1B Cs1B 83.10(13) 2_766 2_766 ?
S6 Cs1B Cs1B 83.74(13) . 2_766 ?
N2 Cs1B Cs1B 29.3(3) 2_766 2_766 ?
C136 Cs1B Cs1B 49.7(3) . 2_766 ?
C132 Cs1B Cs1B 40.1(4) 2_766 2_766 ?
C29 Cs1B Cs1B 123.4(3) 2_766 2_766 ?
C132 N2 C136 115.2(19) . . ?
C132 N2 Cs1B 108.2(14) . . ?
C136 N2 Cs1B 130.6(13) . . ?
C132 N2 Cs1 113.1(14) . . ?
C136 N2 Cs1 129.1(13) . . ?
C132 N2 Cs1 78.5(12) . 2_766 ?
C136 N2 Cs1 89.8(11) . 2_766 ?
Cs1 N2 Cs1 114.7(4) . 2_766 ?
C132 N2 Cs1B 86.5(12) . 2_766 ?
C136 N2 Cs1B 95.5(11) . 2_766 ?
Cs1 N2 Cs1B 102.4(4) . 2_766 ?
Cs1 N2 Cs1B 12.82(10) 2_766 2_766 ?
N2 C132 C133 124.6(18) . . ?
N2 C132 Cs1B 50.0(12) . . ?
C133 C132 Cs1B 163.0(14) . . ?
N2 C132 Cs1 79.9(12) . 2_766 ?
C133 C132 Cs1 88.0(14) . 2_766 ?
N2 C132 Cs1B 73.2(11) . 2_766 ?
C133 C132 Cs1B 99.9(14) . 2_766 ?
Cs1 C132 Cs1B 11.90(10) 2_766 2_766 ?
N2 C132 H99 117.7 . . ?
C133 C132 H99 117.7 . . ?
Cs1B C132 H99 70.3 . . ?
Cs1B C132 H99 97.2 2_766 . ?
C132 C133 C134 119.2(17) . . ?
C132 C133 Cs1 70.0(13) . 2_766 ?
C134 C133 Cs1 92.1(13) . 2_766 ?
C132 C133 H100 120.4 . . ?
C134 C133 H100 120.4 . . ?
Cs1 C133 H100 107.6 2_766 . ?
C133 C134 C135 117(2) . . ?
C133 C134 H101 121.6 . . ?
C135 C134 H101 121.6 . . ?
C136 C135 C134 119.2(16) . . ?
C136 C135 H102 120.4 . . ?
C134 C135 H102 120.4 . . ?
C135 C136 N2 124.9(16) . . ?
C135 C136 Cs1B 149.8(11) . . ?
N2 C136 Cs1B 33.3(10) . . ?
C135 C136 Cs1 92.1(12) . 2_766 ?
N2 C136 Cs1 68.9(10) . 2_766 ?
C135 C136 H103 117.6 . . ?
N2 C136 H103 117.6 . . ?
Cs1B C136 H103 88.2 . . ?
C137 N3 C141 120.0 . . ?
C137 N3 Cs1 140.6(9) . . ?
C141 N3 Cs1 98.5(9) . . ?
N3 C137 C138 120.0 . . ?
N3 C137 H104 120.0 . . ?
C138 C137 H104 120.0 . . ?
C137 C138 C139 120.0 . . ?
C137 C138 H105 120.0 . . ?
C139 C138 H105 120.0 . . ?
C140 C139 C138 120.0 . . ?
C140 C139 H106 120.0 . . ?
C138 C139 H106 120.0 . . ?
C139 C140 C141 120.0 . . ?
C139 C140 H107 120.0 . . ?
C141 C140 H107 120.0 . . ?
C140 C141 N3 120.0 . . ?
C140 C141 Cs1 172.4(9) . . ?
N3 C141 Cs1 59.6(8) . . ?
C140 C141 H108 120.0 . . ?
N3 C141 H108 120.0 . . ?
Cs1 C141 H108 61.0 . . ?
C142 N4 C146 120.0 . . ?
C142 N4 Cs1B 121(2) . . ?
C146 N4 Cs1B 117(2) . . ?
N4 C142 C143 120.0 . . ?
N4 C142 H109 120.0 . . ?
C143 C142 H109 120.0 . . ?
C144 C143 C142 120.0 . . ?
C144 C143 H110 120.0 . . ?
C142 C143 H110 120.0 . . ?
C145 C144 C143 120.0 . . ?
C145 C144 H111 120.0 . . ?
C143 C144 H111 120.0 . . ?
C146 C145 C144 120.0 . . ?
C146 C145 H112 120.0 . . ?
C144 C145 H112 120.0 . . ?
C145 C146 N4 120.0 . . ?
C145 C146 H113 120.0 . . ?
N4 C146 H113 120.0 . . ?
C166 Cs2 N5 60(4) 2_765 . ?
N5 Cs2 N6 151.3(5) . . ?
C166 Cs2 N8 95(4) 2_765 . ?
N5 Cs2 N8 154(2) . . ?
N5 Cs2 N6 72.3(5) . 2_765 ?
N6 Cs2 N6 79.1(2) . 2_765 ?
C166 Cs2 N7 126(5) 2_765 . ?
N5 Cs2 N7 68.5(9) . . ?
N6 Cs2 N7 140.0(7) . . ?
N8 Cs2 N7 134(2) . . ?
N6 Cs2 N7 140.7(7) 2_765 . ?
N5 Cs2 S8 94.7(5) . 2_765 ?
N6 Cs2 S8 83.0(2) . 2_765 ?
N6 Cs2 S8 88.4(2) 2_765 2_765 ?
N7 Cs2 S8 93.0(5) . 2_765 ?
C166 Cs2 S14 88(9) 2_765 . ?
N5 Cs2 S14 81.8(4) . . ?
N6 Cs2 S14 93.8(2) . . ?
N8 Cs2 S14 103(3) . . ?
N6 Cs2 S14 78.2(2) 2_765 . ?
N7 Cs2 S14 97.6(5) . . ?
S8 Cs2 S14 166.59(10) 2_765 . ?
N5 Cs2 N8 72.5(7) . 2_765 ?
N6 Cs2 N8 79.3(4) . 2_765 ?
N6 Cs2 N8 8(2) 2_765 2_765 ?
N7 Cs2 N8 140.5(8) . 2_765 ?
S8 Cs2 N8 96(2) 2_765 2_765 ?
S14 Cs2 N8 70(2) . 2_765 ?
N5 Cs2 C156 63.2(7) . 2_765 ?
N6 Cs2 C156 89.4(5) . 2_765 ?
N6 Cs2 C156 21.6(6) 2_765 2_765 ?
N7 Cs2 C156 126.8(9) . 2_765 ?
S8 Cs2 C156 70.8(7) 2_765 2_765 ?
S14 Cs2 C156 96.2(7) . 2_765 ?
C166 Cs2 C162 112(6) 2_765 . ?
N5 Cs2 C162 163.1(19) . . ?
N8 Cs2 C162 20.6(11) . . ?
N7 Cs2 C162 114(2) . . ?
S8 Cs2 C162 68.6(17) 2_765 . ?
S14 Cs2 C162 113.8(16) . . ?
N8 Cs2 C162 105(2) 2_765 . ?
C166 Cs2 C151 61(5) 2_765 . ?
N5 Cs2 C151 18.6(6) . . ?
N6 Cs2 C151 143.8(5) . . ?
N8 Cs2 C151 152(2) . . ?
N6 Cs2 C151 69.4(5) 2_765 . ?
N7 Cs2 C151 74.0(8) . . ?
S8 Cs2 C151 112.7(5) 2_765 . ?
S14 Cs2 C151 63.2(5) . . ?
N8 Cs2 C151 67.1(6) 2_765 . ?
C156 Cs2 C151 67.5(7) 2_765 . ?
C162 Cs2 C151 172(2) . . ?
N5 Cs2 H133 63(4) . 2_765 ?
N6 Cs2 H133 90(4) . 2_765 ?
N6 Cs2 H133 25(10) 2_765 2_765 ?
N7 Cs2 H133 125(6) . 2_765 ?
S8 Cs2 H133 67(10) 2_765 2_765 ?
S14 Cs2 H133 100(10) . 2_765 ?
C156 Cs2 H133 4(10) 2_765 2_765 ?
C151 Cs2 H133 69(6) . 2_765 ?
C147 N5 C151 116(2) . . ?
C147 N5 Cs2 131.4(18) . . ?
C151 N5 Cs2 112.7(16) . . ?
N5 C147 C148 119(3) . . ?
N5 C147 H114 120.5 . . ?
C148 C147 H114 120.5 . . ?
C149 C148 C147 121(3) . . ?
C149 C148 H115 119.7 . . ?
C147 C148 H115 119.7 . . ?
C148 C149 C150 121(3) . . ?
C148 C149 H116 119.7 . . ?
C150 C149 H116 119.7 . . ?
C149 C150 C151 123(3) . . ?
C149 C150 H117 118.7 . . ?
C151 C150 H117 118.7 . . ?
C150 C151 N5 121(3) . . ?
C150 C151 Cs2 169(2) . . ?
N5 C151 Cs2 48.7(13) . . ?
C150 C151 H118 119.6 . . ?
N5 C151 H118 119.6 . . ?
Cs2 C151 H118 70.9 . . ?
C152 N6 C156 120.0 . . ?
C152 N6 Cs2 109.1(6) . . ?
C156 N6 Cs2 114.9(5) . . ?
C152 N6 Cs2 112.0(7) . 2_765 ?
C156 N6 Cs2 97.8(7) . 2_765 ?
Cs2 N6 Cs2 100.9(2) . 2_765 ?
N6 C152 C153 120.0 . . ?
N6 C152 H119 120.0 . . ?
C153 C152 H119 120.0 . . ?
C154 C153 C152 120.0 . . ?
C154 C153 H120 120.0 . . ?
C152 C153 H120 120.0 . . ?
C153 C154 C155 120.0 . . ?
C153 C154 H121 120.0 . . ?
C155 C154 H121 120.0 . . ?
C156 C155 C154 120.0 . . ?
C156 C155 H122 120.0 . . ?
C154 C155 H122 120.0 . . ?
C155 C156 N6 120.0 . . ?
C155 C156 Cs2 129.3(6) . 2_765 ?
N6 C156 Cs2 60.7(6) . 2_765 ?
C155 C156 H123 120.0 . . ?
N6 C156 H123 120.0 . . ?
Cs2 C156 H123 81.7 2_765 . ?
C157 N7 C161 120.0 . . ?
C157 N7 Cs2 114.6(18) . . ?
C161 N7 Cs2 115.6(18) . . ?
C158 C157 N7 120.0 . . ?
C158 C157 H124 120.0 . . ?
N7 C157 H124 120.0 . . ?
C157 C158 C159 120.0 . . ?
C157 C158 H125 120.0 . . ?
C159 C158 H125 120.0 . . ?
C160 C159 C158 120.0 . . ?
C160 C159 H126 120.0 . . ?
C158 C159 H126 120.0 . . ?
C159 C160 C161 120.0 . . ?
C159 C160 H127 120.0 . . ?
C161 C160 H127 120.0 . . ?
C160 C161 N7 120.0 . . ?
C160 C161 H128 120.0 . . ?
N7 C161 H128 120.0 . . ?
C162 N8 C166 120.0 . . ?
C162 N8 Cs2 104(6) . . ?
C166 N8 Cs2 115(7) . . ?
Cs2 N8 Cs2 95(2) . 2_765 ?
C163 C162 N8 120.0 . . ?
C163 C162 Cs2 138(5) . . ?
N8 C162 Cs2 55(4) . . ?
C163 C162 H129 120.0 . . ?
N8 C162 H129 120.0 . . ?
Cs2 C162 H129 80.1 . . ?
C162 C163 C164 120.0 . . ?
C162 C163 H130 120.0 . . ?
C164 C163 H130 120.0 . . ?
C165 C164 C163 120.00(6) . . ?
C165 C164 H131 120.0 . . ?
C163 C164 H131 120.0 . . ?
C164 C165 C166 120.0 . . ?
C164 C165 H132 120.0 . . ?
C166 C165 H132 120.0 . . ?
C165 C166 N8 120.0 . . ?
C165 C166 H133 120.0 . . ?
N8 C166 H133 120.0 . . ?
Cs2 C166 H133 33.1 2_765 . ?
N9 Cs3 O1 161.4(7) . . ?
N9 Cs3 O2 148.9(7) . . ?
O1 Cs3 O2 49.7(9) . . ?
N9 Cs3 N10 92.7(6) . . ?
O1 Cs3 N10 105.6(8) . . ?
O2 Cs3 N10 58.1(8) . . ?
N9 Cs3 C172 97.4(5) . . ?
O1 Cs3 C172 100.9(7) . . ?
O2 Cs3 C172 51.6(7) . . ?
N10 Cs3 C172 23.76(18) . . ?
N9 Cs3 N9 86.6(4) . 2_776 ?
O1 Cs3 N9 75.6(7) . 2_776 ?
O2 Cs3 N9 121.3(7) . 2_776 ?
N10 Cs3 N9 174.1(5) . 2_776 ?
C172 Cs3 N9 150.6(6) . 2_776 ?
N9 Cs3 S2 77.3(3) . 2_776 ?
O1 Cs3 S2 104.0(5) . 2_776 ?
O2 Cs3 S2 93.9(5) . 2_776 ?
N10 Cs3 S2 95.5(4) . 2_776 ?
C172 Cs3 S2 74.0(5) . 2_776 ?
N9 Cs3 S2 78.6(3) 2_776 2_776 ?
N9 Cs3 S16 112.2(3) . . ?
O1 Cs3 S16 58.7(5) . . ?
O2 Cs3 S16 89.3(6) . . ?
N10 Cs3 S16 109.1(4) . . ?
C172 Cs3 S16 127.2(5) . . ?
N9 Cs3 S16 76.6(3) 2_776 . ?
S2 Cs3 S16 152.66(13) 2_776 . ?
N9 Cs3 C171 20.59(19) . . ?
O1 Cs3 C171 153.5(6) . . ?
O2 Cs3 C171 144.3(7) . . ?
N10 Cs3 C171 87.1(6) . . ?
C172 Cs3 C171 99.7(5) . . ?
N9 Cs3 C171 94.1(4) 2_776 . ?
S2 Cs3 C171 97.6(2) 2_776 . ?
S16 Cs3 C171 95.4(2) . . ?
N9 Cs3 Ag18 76.7(3) . . ?
O1 Cs3 Ag18 93.0(6) . . ?
O2 Cs3 Ag18 121.0(5) . . ?
N10 Cs3 Ag18 110.7(5) . . ?
C172 Cs3 Ag18 134.4(5) . . ?
N9 Cs3 Ag18 74.9(3) 2_776 . ?
S2 Cs3 Ag18 143.64(9) 2_776 . ?
S16 Cs3 Ag18 35.45(7) . . ?
C171 Cs3 Ag18 60.6(2) . . ?
N9 Cs3 Cs3 44.7(3) . 2_776 ?
O1 Cs3 Cs3 117.4(6) . 2_776 ?
O2 Cs3 Cs3 159.9(5) . 2_776 ?
N10 Cs3 Cs3 137.0(4) . 2_776 ?
C172 Cs3 Cs3 134.4(4) . 2_776 ?
N9 Cs3 Cs3 41.9(3) 2_776 2_776 ?
S2 Cs3 Cs3 73.35(8) 2_776 2_776 ?
S16 Cs3 Cs3 95.12(9) . 2_776 ?
C171 Cs3 Cs3 54.8(4) . 2_776 ?
Ag18 Cs3 Cs3 70.29(5) . 2_776 ?
N11 Cs3B O3 135.5(10) . . ?
S2 Cs3B O3 107.5(7) 2_776 . ?
S2 Cs3B N11 84.8(4) 2_776 2_776 ?
N11 Cs3B S16 96.6(4) . . ?
S2 Cs3B S16 160.63(15) 2_776 . ?
O3 Cs3B S16 90.4(7) . . ?
N11 Cs3B S16 82.6(4) 2_776 . ?
S2 Cs3B C5 45.1(2) 2_776 2_776 ?
S16 Cs3B C5 154.3(2) . 2_776 ?
N11 Cs3B C181 81.2(9) . 2_776 ?
S2 Cs3B C181 69.3(14) 2_776 2_776 ?
O3 Cs3B C181 140.1(14) . 2_776 ?
N11 Cs3B C181 21.6(12) 2_776 2_776 ?
S16 Cs3B C181 101.7(15) . 2_776 ?
C5 Cs3B C181 92.7(15) 2_776 2_776 ?
S2 Cs3B C177 105.1(16) 2_776 2_776 ?
S16 Cs3B C177 64.9(16) . 2_776 ?
C5 Cs3B C177 125.7(15) 2_776 2_776 ?
S2 Cs3B C6 27.3(2) 2_776 2_776 ?
S16 Cs3B C6 169.6(3) . 2_776 ?
C5 Cs3B C6 20.9(3) 2_776 2_776 ?
S2 Cs3B Cs3B 72.00(9) 2_776 2_776 ?
S16 Cs3B Cs3B 89.30(10) . 2_776 ?
C5 Cs3B Cs3B 115.8(2) 2_776 2_776 ?
C6 Cs3B Cs3B 95.2(2) 2_776 2_776 ?
C167 N9 C171 120.0 . . ?
C167 N9 Cs3 119.8(9) . . ?
C171 N9 Cs3 104.3(8) . . ?
C167 N9 Cs3 106.2(9) . 2_776 ?
C171 N9 Cs3 109.7(9) . 2_776 ?
Cs3 N9 Cs3 93.4(4) . 2_776 ?
C168 C167 N9 120.0 . . ?
C168 C167 H134 120.0 . . ?
N9 C167 H134 120.0 . . ?
C167 C168 C169 120.0 . . ?
C167 C168 H135 120.0 . . ?
C169 C168 H135 120.0 . . ?
C170 C169 C168 120.0 . . ?
C170 C169 H136 120.0 . . ?
C168 C169 H136 120.0 . . ?
C169 C170 C171 120.0 . . ?
C169 C170 H137 120.0 . . ?
C171 C170 H137 120.0 . . ?
C170 C171 N9 120.0 . . ?
C170 C171 Cs3 144.3(8) . . ?
N9 C171 Cs3 55.1(7) . . ?
C170 C171 H138 120.0 . . ?
N9 C171 H138 120.0 . . ?
Cs3 C171 H138 76.1 . . ?
C172 N10 C176 120.0 . . ?
C172 N10 Cs3 79.1(11) . . ?
C176 N10 Cs3 107.1(12) . . ?
N10 C172 C173 120.0 . . ?
N10 C172 Cs3 77.1(11) . . ?
C173 C172 Cs3 108.1(11) . . ?
N10 C172 H139 120.0 . . ?
C173 C172 H139 120.0 . . ?
Cs3 C172 H139 85.0 . . ?
C174 C173 C172 120.0 . . ?
C174 C173 H140 120.0 . . ?
C172 C173 H140 120.0 . . ?
C173 C174 C175 120.0 . . ?
C173 C174 H141 120.0 . . ?
C175 C174 H141 120.0 . . ?
C176 C175 C174 120.0 . . ?
C176 C175 H142 120.0 . . ?
C174 C175 H142 120.0 . . ?
C175 C176 N10 120.0 . . ?
C175 C176 H143 120.0 . . ?
N10 C176 H143 120.0 . . ?
C177 N11 C181 120.0 . . ?
C177 N11 Cs3B 128.2(12) . . ?
C181 N11 Cs3B 107.9(11) . . ?
C178 C177 N11 120.0 . . ?
C178 C177 H144 120.0 . . ?
N11 C177 H144 120.0 . . ?
Cs3B C177 H144 100.4 2_776 . ?
C177 C178 C179 120.0 . . ?
C177 C178 H145 120.0 . . ?
C179 C178 H145 120.0 . . ?
C180 C179 C178 120.0 . . ?
C180 C179 H146 120.0 . . ?
C178 C179 H146 120.0 . . ?
C179 C180 C181 120.0 . . ?
C179 C180 H147 120.0 . . ?
C181 C180 H147 120.0 . . ?
C180 C181 N11 120.0 . . ?
C180 C181 H148 120.0 . . ?
N11 C181 H148 120.0 . . ?
Cs3B C181 H148 98.3 2_776 . ?
C186 N12 C182 118(3) . . ?
N12 C182 C183 112(3) . . ?
N12 C182 H149 123.8 . . ?
C183 C182 H149 123.8 . . ?
C184 C183 C182 122(4) . . ?
C184 C183 H150 119.1 . . ?
C182 C183 H150 119.1 . . ?
C185 C184 C183 119(4) . . ?
C185 C184 H151 120.7 . . ?
C183 C184 H151 120.7 . . ?
C186 C185 C184 123(4) . . ?
C186 C185 H152 118.4 . . ?
C184 C185 H152 118.4 . . ?
C185 C186 N12 124(4) . . ?
C185 C186 H153 117.8 . . ?
N12 C186 H153 117.8 . . ?
C189 O4 C187 111(2) . . ?
O4 C187 C188 105(3) . . ?
O4 C187 H154 110.7 . . ?
C188 C187 H154 110.7 . . ?
O4 C187 H155 110.7 . . ?
C188 C187 H155 110.7 . . ?
H154 C187 H155 108.8 . . ?
C187 C188 H156 109.5 . . ?
C187 C188 H157 109.5 . . ?
H156 C188 H157 109.5 . . ?
C187 C188 H158 109.5 . . ?
H156 C188 H158 109.5 . . ?
H157 C188 H158 109.5 . . ?
O4 C189 C190 106(2) . . ?
O4 C189 H159 110.6 . . ?
C190 C189 H159 110.6 . . ?
O4 C189 H160 110.6 . . ?
C190 C189 H160 110.6 . . ?
H159 C189 H160 108.7 . . ?
C189 C190 H161 109.5 . . ?
C189 C190 H162 109.5 . . ?
H161 C190 H162 109.5 . . ?
C189 C190 H163 109.5 . . ?
H161 C190 H163 109.5 . . ?
H162 C190 H163 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 0(2) . . . . ?
C6 C1 C2 S1 -178.1(11) . . . . ?
Ag2 S1 C2 C1 -49.7(12) . . . . ?
Ag21 S1 C2 C1 -127.2(11) . . . . ?
Ag14 S1 C2 C1 27.1(12) . . . . ?
Ag2 S1 C2 C3 132.5(11) . . . . ?
Ag21 S1 C2 C3 54.9(12) . . . . ?
Ag14 S1 C2 C3 -150.8(11) . . . . ?
C1 C2 C3 C4 -3(2) . . . . ?
S1 C2 C3 C4 174.4(10) . . . . ?
C2 C3 C4 C5 6(2) . . . . ?
C3 C4 C5 C6 -4(2) . . . . ?
C3 C4 C5 Cs3B -119.9(14) . . . 2_776 ?
C2 C1 C6 C5 2(2) . . . . ?
C2 C1 C6 S2 -178.7(11) . . . . ?
C2 C1 C6 Cs3B 99.0(19) . . . 2_776 ?
C4 C5 C6 C1 0(2) . . . . ?
Cs3B C5 C6 C1 138.9(12) 2_776 . . . ?
C4 C5 C6 S2 -179.1(11) . . . . ?
Cs3B C5 C6 S2 -40.5(10) 2_776 . . . ?
C4 C5 C6 Cs3B -138.6(13) . . . 2_776 ?
Ag19 S2 C6 C1 73.8(12) . . . . ?
Ag18 S2 C6 C1 -9.6(13) . . . . ?
Cs3B S2 C6 C1 -134.7(12) 2_776 . . . ?
Cs3 S2 C6 C1 -143.9(11) 2_776 . . . ?
Ag19 S2 C6 C5 -106.9(11) . . . . ?
Ag18 S2 C6 C5 169.7(10) . . . . ?
Cs3B S2 C6 C5 44.7(12) 2_776 . . . ?
Cs3 S2 C6 C5 35.5(13) 2_776 . . . ?
Ag19 S2 C6 Cs3B -151.5(2) . . . 2_776 ?
Ag18 S2 C6 Cs3B 125.0(3) . . . 2_776 ?
C12 C7 C8 C9 3.1(19) . . . . ?
C12 C7 C8 S3 -167.4(10) . . . . ?
Ag3 S3 C8 C7 -22.5(12) . . . . ?
Ag27 S3 C8 C7 -112.4(10) . . . . ?
Ag17 S3 C8 C7 68.6(11) . . . . ?
Ag3 S3 C8 C9 167.1(9) . . . . ?
Ag27 S3 C8 C9 77.1(11) . . . . ?
Ag17 S3 C8 C9 -101.9(10) . . . . ?
C7 C8 C9 C10 -0.3(19) . . . . ?
S3 C8 C9 C10 170.6(11) . . . . ?
C8 C9 C10 C11 -3(2) . . . . ?
C9 C10 C11 C12 4(2) . . . . ?
C8 C7 C12 C11 -2.6(19) . . . . ?
C8 C7 C12 S4 175.6(10) . . . . ?
C10 C11 C12 C7 -1(2) . . . . ?
C10 C11 C12 S4 -179.1(11) . . . . ?
Ag26 S4 C12 C7 37.2(12) . . . . ?
Ag25 S4 C12 C7 -45.1(12) . . . . ?
Ag26 S4 C12 C11 -144.6(10) . . . . ?
Ag25 S4 C12 C11 133.2(10) . . . . ?
C18 C13 C14 C15 2(2) . . . . ?
C18 C13 C14 S5 -178.8(10) . . . . ?
Ag4 S5 C14 C15 128.9(11) . . . . ?
Ag24 S5 C14 C15 50.3(13) . . . . ?
Ag14 S5 C14 C15 -154.3(11) . . . . ?
Ag4 S5 C14 C13 -50.8(12) . . . . ?
Ag24 S5 C14 C13 -129.4(10) . . . . ?
Ag14 S5 C14 C13 26.0(12) . . . . ?
C13 C14 C15 C16 -1(2) . . . . ?
S5 C14 C15 C16 179.6(10) . . . . ?
C14 C15 C16 C17 -1(2) . . . . ?
C15 C16 C17 C18 1(2) . . . . ?
C14 C13 C18 C17 -1(2) . . . . ?
C14 C13 C18 S6 -179.9(11) . . . . ?
C16 C17 C18 C13 0(2) . . . . ?
C16 C17 C18 S6 178.6(10) . . . . ?
Ag23 S6 C18 C13 78.9(12) . . . . ?
Ag21 S6 C18 C13 -4.7(13) . . . . ?
Cs1 S6 C18 C13 -121.8(11) . . . . ?
Cs1B S6 C18 C13 -129.5(10) . . . . ?
Ag23 S6 C18 C17 -100.0(11) . . . . ?
Ag21 S6 C18 C17 176.4(10) . . . . ?
Cs1 S6 C18 C17 59.3(12) . . . . ?
Cs1B S6 C18 C17 51.6(12) . . . . ?
C24 C19 C20 C21 1(2) . . . . ?
C24 C19 C20 S7 -175.3(11) . . . . ?
Ag5 S7 C20 C19 -39.1(12) . . . . ?
Ag14 S7 C20 C19 39.4(12) . . . . ?
Ag18 S7 C20 C19 -119.1(11) . . . . ?
Ag5 S7 C20 C21 144.3(13) . . . . ?
Ag14 S7 C20 C21 -137.3(13) . . . . ?
Ag18 S7 C20 C21 64.2(14) . . . . ?
C19 C20 C21 C22 -3(3) . . . . ?
S7 C20 C21 C22 174(2) . . . . ?
C20 C21 C22 C23 3(5) . . . . ?
C21 C22 C23 C24 -1(5) . . . . ?
C20 C19 C24 C23 0(2) . . . . ?
C20 C19 C24 S8 177.5(11) . . . . ?
C22 C23 C24 C19 0(3) . . . . ?
C22 C23 C24 S8 -178(2) . . . . ?
Ag25 S8 C24 C19 63.2(13) . . . . ?
Ag24 S8 C24 C19 -19.2(13) . . . . ?
Cs2 S8 C24 C19 -141.5(11) 2_765 . . . ?
Ag25 S8 C24 C23 -119.2(16) . . . . ?
Ag24 S8 C24 C23 158.4(15) . . . . ?
Cs2 S8 C24 C23 36.1(17) 2_765 . . . ?
C30 C25 C26 C27 0(2) . . . . ?
C30 C25 C26 S9 -169.1(11) . . . . ?
Ag6 S9 C26 C25 -31.5(12) . . . . ?
Ag19 S9 C26 C25 -118.1(10) . . . . ?
Ag15 S9 C26 C25 55.6(11) . . . . ?
Ag6 S9 C26 C27 159.5(10) . . . . ?
Ag19 S9 C26 C27 72.9(12) . . . . ?
Ag15 S9 C26 C27 -113.4(11) . . . . ?
C25 C26 C27 C28 2(2) . . . . ?
S9 C26 C27 C28 171.1(12) . . . . ?
C26 C27 C28 C29 -3(2) . . . . ?
C27 C28 C29 C30 2(2) . . . . ?
C27 C28 C29 Cs1B 149.0(13) . . . 2_766 ?
C26 C25 C30 C29 -1(2) . . . . ?
C26 C25 C30 S10 176.7(10) . . . . ?
C28 C29 C30 C25 0(2) . . . . ?
Cs1B C29 C30 C25 -161.0(11) 2_766 . . . ?
C28 C29 C30 S10 -177.9(12) . . . . ?
Cs1B C29 C30 S10 21.5(11) 2_766 . . . ?
Ag21 S10 C30 C25 45.6(13) . . . . ?
Ag22 S10 C30 C25 -36.4(13) . . . . ?
Cs1B S10 C30 C25 158.4(11) 2_766 . . . ?
Cs1 S10 C30 C25 170.9(11) 2_766 . . . ?
Ag21 S10 C30 C29 -137.1(11) . . . . ?
Ag22 S10 C30 C29 140.9(11) . . . . ?
Cs1B S10 C30 C29 -24.3(13) 2_766 . . . ?
Cs1 S10 C30 C29 -11.7(13) 2_766 . . . ?
C36 C31 C32 C33 3.1(18) . . . . ?
C36 C31 C32 S11 -170.9(10) . . . . ?
Ag7 S11 C32 C31 -37.9(11) . . . . ?
Ag22 S11 C32 C31 -123.8(9) . . . . ?
Ag15 S11 C32 C31 50.2(11) . . . . ?
Ag7 S11 C32 C33 148.1(9) . . . . ?
Ag22 S11 C32 C33 62.2(11) . . . . ?
Ag15 S11 C32 C33 -123.8(10) . . . . ?
C31 C32 C33 C34 -0.5(19) . . . . ?
S11 C32 C33 C34 173.8(11) . . . . ?
C32 C33 C34 C35 0(2) . . . . ?
C33 C34 C35 C36 -1(2) . . . . ?
C32 C31 C36 C35 -4.7(18) . . . . ?
C32 C31 C36 S12 176.5(10) . . . . ?
C34 C35 C36 C31 3.8(19) . . . . ?
C34 C35 C36 S12 -177.3(11) . . . . ?
Ag29 S12 C36 C31 56.4(11) . . . . ?
Ag28 S12 C36 C31 -26.1(11) . . . . ?
Ag29 S12 C36 C35 -122.4(9) . . . . ?
Ag28 S12 C36 C35 155.1(9) . . . . ?
C42 C37 C38 C39 2.1(19) . . . . ?
C42 C37 C38 S13 -169.6(9) . . . . ?
Ag8 S13 C38 C37 -28.6(11) . . . . ?
Ag23 S13 C38 C37 -115.2(9) . . . . ?
Ag16 S13 C38 C37 63.5(10) . . . . ?
Ag8 S13 C38 C39 159.8(10) . . . . ?
Ag23 S13 C38 C39 73.1(12) . . . . ?
Ag16 S13 C38 C39 -108.1(11) . . . . ?
C37 C38 C39 C40 -2(2) . . . . ?
S13 C38 C39 C40 169.5(12) . . . . ?
C38 C39 C40 C41 2(2) . . . . ?
C39 C40 C41 C42 -1(2) . . . . ?
C40 C41 C42 C37 0(2) . . . . ?
C40 C41 C42 S14 -176.2(12) . . . . ?
C38 C37 C42 C41 -1.2(18) . . . . ?
C38 C37 C42 S14 175.5(10) . . . . ?
Ag24 S14 C42 C41 -139.6(10) . . . . ?
Ag26 S14 C42 C41 138.2(10) . . . . ?
Cs2 S14 C42 C41 -25.8(11) . . . . ?
Ag24 S14 C42 C37 43.9(11) . . . . ?
Ag26 S14 C42 C37 -38.3(11) . . . . ?
Cs2 S14 C42 C37 157.6(9) . . . . ?
C48 C43 C44 C45 1(3) . . . . ?
C48 C43 C44 S15 -171.5(15) . . . . ?
Ag9 S15 C44 C45 147.2(15) . . . . ?
Ag25 S15 C44 C45 62.2(17) . . . . ?
Ag17 S15 C44 C45 -123.0(15) . . . . ?
Ag9 S15 C44 C43 -40.7(17) . . . . ?
Ag25 S15 C44 C43 -125.7(15) . . . . ?
Ag17 S15 C44 C43 49.0(17) . . . . ?
C43 C44 C45 C46 6(3) . . . . ?
S15 C44 C45 C46 178.2(15) . . . . ?
C44 C45 C46 C47 -11(3) . . . . ?
C45 C46 C47 C48 9(3) . . . . ?
C44 C43 C48 C47 -2(3) . . . . ?
C44 C43 C48 S16 178.5(15) . . . . ?
C46 C47 C48 C43 -3(3) . . . . ?
C46 C47 C48 S16 176.6(15) . . . . ?
Ag18 S16 C48 C43 56.0(17) . . . . ?
Ag20 S16 C48 C43 -26.9(18) . . . . ?
Cs3 S16 C48 C43 149.0(15) . . . . ?
Cs3B S16 C48 C43 167.1(14) . . . . ?
Ag18 S16 C48 C47 -123.4(15) . . . . ?
Ag20 S16 C48 C47 153.8(14) . . . . ?
Cs3 S16 C48 C47 -30.4(17) . . . . ?
Cs3B S16 C48 C47 -12.3(18) . . . . ?
C54 C49 C50 C51 0.2(19) . . . . ?
C54 C49 C50 S17 -172.3(10) . . . . ?
Ag10 S17 C50 C49 -26.9(11) . . . . ?
Ag20 S17 C50 C49 -118.4(9) . . . . ?
Ag17 S17 C50 C49 64.1(10) . . . . ?
Ag10 S17 C50 C51 160.6(10) . . . . ?
Ag20 S17 C50 C51 69.2(11) . . . . ?
Ag17 S17 C50 C51 -108.3(10) . . . . ?
C49 C50 C51 C52 -1(2) . . . . ?
S17 C50 C51 C52 172.1(12) . . . . ?
C50 C51 C52 C53 1(2) . . . . ?
C51 C52 C53 C54 -1(2) . . . . ?
C52 C53 C54 C49 1(2) . . . . ?
C52 C53 C54 S18 -176.5(12) . . . . ?
C50 C49 C54 C53 -0.4(19) . . . . ?
C50 C49 C54 S18 177.0(10) . . . . ?
Ag27 S18 C54 C53 139.7(10) . . . . ?
Ag28 S18 C54 C53 -139.3(10) . . . . ?
Ag27 S18 C54 C49 -37.6(12) . . . . ?
Ag28 S18 C54 C49 43.4(12) . . . . ?
C60 C55 C56 C57 2.4(18) . . . . ?
C60 C55 C56 S19 -175.1(10) . . . . ?
Ag11 S19 C56 C55 -45.2(11) . . . . ?
Ag28 S19 C56 C55 -128.6(9) . . . . ?
Ag15 S19 C56 C55 40.8(11) . . . . ?
Ag11 S19 C56 C57 137.3(9) . . . . ?
Ag28 S19 C56 C57 53.9(10) . . . . ?
Ag15 S19 C56 C57 -136.7(9) . . . . ?
C55 C56 C57 C58 -2.2(19) . . . . ?
S19 C56 C57 C58 175.4(11) . . . . ?
C56 C57 C58 C59 1(2) . . . . ?
C57 C58 C59 C60 0(2) . . . . ?
C56 C55 C60 C59 -2(2) . . . . ?
C56 C55 C60 S20 177.4(10) . . . . ?
C58 C59 C60 C55 0(2) . . . . ?
C58 C59 C60 S20 -178.6(12) . . . . ?
Ag20 S20 C60 C55 69.0(11) . . . . ?
Ag19 S20 C60 C55 -14.5(12) . . . . ?
Ag20 S20 C60 C59 -112.1(11) . . . . ?
Ag19 S20 C60 C59 164.4(11) . . . . ?
C66 C61 C62 C63 -0.6(17) . . . . ?
C66 C61 C62 S21 -171.9(9) . . . . ?
Ag12 S21 C62 C61 -33.6(10) . . . . ?
Ag29 S21 C62 C61 -121.5(9) . . . . ?
Ag16 S21 C62 C61 55.3(10) . . . . ?
Ag12 S21 C62 C63 155.1(9) . . . . ?
Ag29 S21 C62 C63 67.2(11) . . . . ?
Ag16 S21 C62 C63 -116.1(10) . . . . ?
C61 C62 C63 C64 0(2) . . . . ?
S21 C62 C63 C64 171.2(11) . . . . ?
C62 C63 C64 C65 0(2) . . . . ?
C63 C64 C65 C66 1(2) . . . . ?
C64 C65 C66 C61 -2(2) . . . . ?
C64 C65 C66 S22 -178.4(12) . . . . ?
C62 C61 C66 C65 1.6(18) . . . . ?
C62 C61 C66 S22 178.0(9) . . . . ?
Ag23 S22 C66 C65 147.0(10) . . . . ?
Ag22 S22 C66 C65 -129.7(10) . . . . ?
Ag23 S22 C66 C61 -29.3(10) . . . . ?
Ag22 S22 C66 C61 54.0(10) . . . . ?
C72 C67 C68 C69 2.3(18) . . . . ?
C72 C67 C68 S23 -175.7(9) . . . . ?
Ag13 S23 C68 C67 -46.6(10) . . . . ?
Ag26 S23 C68 C67 -128.3(9) . . . . ?
Ag16 S23 C68 C67 45.3(10) . . . . ?
Ag13 S23 C68 C69 135.4(10) . . . . ?
Ag26 S23 C68 C69 53.6(11) . . . . ?
Ag16 S23 C68 C69 -132.7(10) . . . . ?
C67 C68 C69 C70 -1.1(19) . . . . ?
S23 C68 C69 C70 177.0(10) . . . . ?
C68 C69 C70 C71 0(2) . . . . ?
C69 C70 C71 C72 0(2) . . . . ?
C70 C71 C72 C67 1.1(19) . . . . ?
C70 C71 C72 S24 -175.9(11) . . . . ?
C68 C67 C72 C71 -2.3(17) . . . . ?
C68 C67 C72 S24 174.7(9) . . . . ?
Ag27 S24 C72 C71 -111.6(10) . . . . ?
Ag29 S24 C72 C71 164.2(9) . . . . ?
Ag27 S24 C72 C67 71.4(10) . . . . ?
Ag29 S24 C72 C67 -12.8(11) . . . . ?
C85 P1 C73 C78 146.7(12) . . . . ?
C79 P1 C73 C78 -104.9(13) . . . . ?
Ag15 P1 C73 C78 18.9(14) . . . . ?
C85 P1 C73 C74 -34.1(15) . . . . ?
C79 P1 C73 C74 74.3(14) . . . . ?
Ag15 P1 C73 C74 -161.8(12) . . . . ?
C78 C73 C74 C75 -1(3) . . . . ?
P1 C73 C74 C75 -179.9(14) . . . . ?
C73 C74 C75 C76 3(3) . . . . ?
C74 C75 C76 C77 -3(3) . . . . ?
C75 C76 C77 C78 1(3) . . . . ?
C74 C73 C78 C77 -1(2) . . . . ?
P1 C73 C78 C77 177.8(12) . . . . ?
C76 C77 C78 C73 1(3) . . . . ?
C85 P1 C79 C84 104.1(18) . . . . ?
C73 P1 C79 C84 -3.7(19) . . . . ?
Ag15 P1 C79 C84 -133.5(17) . . . . ?
C85 P1 C79 C80 -82.3(15) . . . . ?
C73 P1 C79 C80 169.9(15) . . . . ?
Ag15 P1 C79 C80 40.1(16) . . . . ?
C84 C79 C80 C81 -5(3) . . . . ?
P1 C79 C80 C81 -179.4(19) . . . . ?
C79 C80 C81 C82 1(4) . . . . ?
C80 C81 C82 C83 5(4) . . . . ?
C81 C82 C83 C84 -7(4) . . . . ?
C80 C79 C84 C83 3(3) . . . . ?
P1 C79 C84 C83 177.0(19) . . . . ?
C82 C83 C84 C79 3(4) . . . . ?
C79 P1 C85 C86 -15.1(15) . . . . ?
C73 P1 C85 C86 93.6(14) . . . . ?
Ag15 P1 C85 C86 -135.1(12) . . . . ?
C79 P1 C85 C90 164.2(12) . . . . ?
C73 P1 C85 C90 -87.2(12) . . . . ?
Ag15 P1 C85 C90 44.2(12) . . . . ?
C90 C85 C86 C87 0(2) . . . . ?
P1 C85 C86 C87 179.6(13) . . . . ?
C85 C86 C87 C88 2(3) . . . . ?
C86 C87 C88 C89 -2(3) . . . . ?
C87 C88 C89 C90 0(3) . . . . ?
C88 C89 C90 C85 2(3) . . . . ?
C86 C85 C90 C89 -3(2) . . . . ?
P1 C85 C90 C89 178.1(14) . . . . ?
C97 P2 C91 C92 -30.3(14) . . . . ?
C103 P2 C91 C92 78.7(14) . . . . ?
Ag16 P2 C91 C92 -153.9(10) . . . . ?
C97 P2 C91 C96 147.0(11) . . . . ?
C103 P2 C91 C96 -103.9(12) . . . . ?
Ag16 P2 C91 C96 23.5(12) . . . . ?
C96 C91 C92 C93 5(2) . . . . ?
P2 C91 C92 C93 -178.1(12) . . . . ?
C91 C92 C93 C94 -3(2) . . . . ?
C92 C93 C94 C95 0(3) . . . . ?
C93 C94 C95 C96 0(3) . . . . ?
C94 C95 C96 C91 1(2) . . . . ?
C92 C91 C96 C95 -4(2) . . . . ?
P2 C91 C96 C95 178.8(12) . . . . ?
C91 P2 C97 C102 93.1(15) . . . . ?
C103 P2 C97 C102 -15.8(16) . . . . ?
Ag16 P2 C97 C102 -139.2(14) . . . . ?
C91 P2 C97 C98 -81.9(13) . . . . ?
C103 P2 C97 C98 169.3(12) . . . . ?
Ag16 P2 C97 C98 45.9(13) . . . . ?
C102 C97 C98 C99 2(3) . . . . ?
P2 C97 C98 C99 177.6(15) . . . . ?
C97 C98 C99 C100 1(3) . . . . ?
C98 C99 C100 C101 -2(3) . . . . ?
C99 C100 C101 C102 -1(3) . . . . ?
C98 C97 C102 C101 -5(3) . . . . ?
P2 C97 C102 C101 -179.6(14) . . . . ?
C100 C101 C102 C97 4(3) . . . . ?
C97 P2 C103 C104 -96.7(15) . . . . ?
C91 P2 C103 C104 155.6(14) . . . . ?
Ag16 P2 C103 C104 25.4(16) . . . . ?
C97 P2 C103 C108 80(2) . . . . ?
C91 P2 C103 C108 -27(2) . . . . ?
Ag16 P2 C103 C108 -157.4(18) . . . . ?
C108 C103 C104 C105 5(3) . . . . ?
P2 C103 C104 C105 -178.0(13) . . . . ?
C103 C104 C105 C106 -5(3) . . . . ?
C104 C105 C106 C107 2(4) . . . . ?
C105 C106 C107 C108 0(5) . . . . ?
C106 C107 C108 C103 0(5) . . . . ?
C104 C103 C108 C107 -2(4) . . . . ?
P2 C103 C108 C107 -180(2) . . . . ?
C121 P3 C109 C110 -93.6(14) . . . . ?
C115 P3 C109 C110 155.6(13) . . . . ?
Ag17 P3 C109 C110 34.9(15) . . . . ?
C121 P3 C109 C114 82.8(18) . . . . ?
C115 P3 C109 C114 -28.1(18) . . . . ?
Ag17 P3 C109 C114 -148.7(15) . . . . ?
C114 C109 C110 C111 2(3) . . . . ?
P3 C109 C110 C111 178.0(14) . . . . ?
C109 C110 C111 C112 -2(3) . . . . ?
C110 C111 C112 C113 2(4) . . . . ?
C111 C112 C113 C114 -2(5) . . . . ?
C112 C113 C114 C109 2(5) . . . . ?
C110 C109 C114 C113 -2(3) . . . . ?
P3 C109 C114 C113 -178(2) . . . . ?
C121 P3 C115 C116 -176.8(18) . . . . ?
C109 P3 C115 C116 -67.9(19) . . . . ?
Ag17 P3 C115 C116 55.5(19) . . . . ?
C121 P3 C115 C120 15.9(16) . . . . ?
C109 P3 C115 C120 124.8(15) . . . . ?
Ag17 P3 C115 C120 -111.7(14) . . . . ?
C120 C115 C116 C117 -6(4) . . . . ?
P3 C115 C116 C117 -173(2) . . . . ?
C115 C116 C117 C118 3(5) . . . . ?
C116 C117 C118 C119 3(5) . . . . ?
C117 C118 C119 C120 -5(4) . . . . ?
C116 C115 C120 C119 4(3) . . . . ?
P3 C115 C120 C119 170.7(16) . . . . ?
C118 C119 C120 C115 2(3) . . . . ?
C115 P3 C121 C122 72.0(15) . . . . ?
C109 P3 C121 C122 -37.2(15) . . . . ?
Ag17 P3 C121 C122 -164.3(12) . . . . ?
C115 P3 C121 C126 -106.2(12) . . . . ?
C109 P3 C121 C126 144.6(12) . . . . ?
Ag17 P3 C121 C126 17.5(13) . . . . ?
C126 C121 C122 C123 -1(2) . . . . ?
P3 C121 C122 C123 -179.5(14) . . . . ?
C121 C122 C123 C124 0(3) . . . . ?
C122 C123 C124 C125 2(3) . . . . ?
C123 C124 C125 C126 -3(3) . . . . ?
C124 C125 C126 C121 1(3) . . . . ?
C122 C121 C126 C125 1(2) . . . . ?
P3 C121 C126 C125 179.2(13) . . . . ?
C131 N1 C127 C128 4(3) . . . . ?
Ag14 N1 C127 C128 176.4(14) . . . . ?
N1 C127 C128 C129 1(3) . . . . ?
C127 C128 C129 C130 -8(3) . . . . ?
C128 C129 C130 C131 9(3) . . . . ?
C127 N1 C131 C130 -3(3) . . . . ?
Ag14 N1 C131 C130 -175.1(15) . . . . ?
C129 C130 C131 N1 -4(3) . . . . ?
C136 N2 C132 C133 -4(3) . . . . ?
Cs1B N2 C132 C133 -159.6(18) . . . . ?
Cs1 N2 C132 C133 -167.4(17) . . . . ?
Cs1 N2 C132 C133 80(2) 2_766 . . . ?
Cs1B N2 C132 C133 91(2) 2_766 . . . ?
C136 N2 C132 Cs1B 155.8(19) . . . . ?
Cs1B N2 C132 Cs1B -109.8(7) 2_766 . . . ?
C136 N2 C132 Cs1 -84.2(15) . . . 2_766 ?
Cs1 N2 C132 Cs1 112.1(7) . . . 2_766 ?
C136 N2 C132 Cs1B -94.4(15) . . . 2_766 ?
Cs1B N2 C132 Cs1B 109.8(7) . . . 2_766 ?
N2 C132 C133 C134 5(3) . . . . ?
Cs1B C132 C133 C134 -61(5) . . . . ?
Cs1 C132 C133 C134 81(2) 2_766 . . . ?
Cs1B C132 C133 C134 81(2) 2_766 . . . ?
N2 C132 C133 Cs1 -76(2) . . . 2_766 ?
C132 C133 C134 C135 -1(3) . . . . ?
Cs1 C133 C134 C135 67(2) 2_766 . . . ?
C133 C134 C135 C136 -2(3) . . . . ?
C134 C135 C136 N2 3(3) . . . . ?
C134 C135 C136 Cs1B 37(4) . . . . ?
C134 C135 C136 Cs1 -63(2) . . . 2_766 ?
C132 N2 C136 C135 0(3) . . . . ?
Cs1B N2 C136 C135 149.1(16) . . . . ?
Cs1 N2 C136 C135 160.4(15) . . . . ?
Cs1 N2 C136 C135 -77.2(18) 2_766 . . . ?
Cs1B N2 C136 C135 -88.7(18) 2_766 . . . ?
C132 N2 C136 Cs1B -149(2) . . . . ?
Cs1B N2 C136 Cs1B 122.1(13) 2_766 . . . ?
C132 N2 C136 Cs1 77.2(16) . . . 2_766 ?
Cs1 N2 C136 Cs1 -122.3(11) . . . 2_766 ?
C141 N3 C137 C138 0.0 . . . . ?
Cs1 N3 C137 C138 166.3(16) . . . . ?
N3 C137 C138 C139 0.0 . . . . ?
C137 C138 C139 C140 0.0 . . . . ?
C138 C139 C140 C141 0.0 . . . . ?
C139 C140 C141 N3 0.0 . . . . ?
C137 N3 C141 C140 0.0 . . . . ?
Cs1 N3 C141 C140 -171.2(10) . . . . ?
C137 N3 C141 Cs1 171.2(11) . . . . ?
C146 N4 C142 C143 0.0 . . . . ?
Cs1B N4 C142 C143 -165(3) . . . . ?
N4 C142 C143 C144 0.0 . . . . ?
C142 C143 C144 C145 0.0 . . . . ?
C143 C144 C145 C146 0.0 . . . . ?
C144 C145 C146 N4 0.0 . . . . ?
C142 N4 C146 C145 0.0 . . . . ?
Cs1B N4 C146 C145 166(3) . . . . ?
C151 N5 C147 C148 -10(4) . . . . ?
Cs2 N5 C147 C148 177(2) . . . . ?
N5 C147 C148 C149 8(5) . . . . ?
C147 C148 C149 C150 -1(5) . . . . ?
C148 C149 C150 C151 -3(6) . . . . ?
C149 C150 C151 N5 1(5) . . . . ?
C149 C150 C151 Cs2 1(15) . . . . ?
C147 N5 C151 C150 6(5) . . . . ?
Cs2 N5 C151 C150 -180(2) . . . . ?
C147 N5 C151 Cs2 -174(3) . . . . ?
C156 N6 C152 C153 0.0 . . . . ?
Cs2 N6 C152 C153 -135.6(7) . . . . ?
Cs2 N6 C152 C153 113.6(7) 2_765 . . . ?
N6 C152 C153 C154 0.0 . . . . ?
C152 C153 C154 C155 0.0 . . . . ?
C153 C154 C155 C156 0.0 . . . . ?
C154 C155 C156 N6 0.0 . . . . ?
C154 C155 C156 Cs2 -75.0(7) . . . 2_765 ?
C152 N6 C156 C155 0.0 . . . . ?
Cs2 N6 C156 C155 133.2(7) . . . . ?
Cs2 N6 C156 C155 -121.0(6) 2_765 . . . ?
C152 N6 C156 Cs2 121.0(6) . . . 2_765 ?
Cs2 N6 C156 Cs2 -105.9(4) . . . 2_765 ?
C161 N7 C157 C158 0.0 . . . . ?
Cs2 N7 C157 C158 144.4(17) . . . . ?
N7 C157 C158 C159 0.0 . . . . ?
C157 C158 C159 C160 0.0 . . . . ?
C158 C159 C160 C161 0.0 . . . . ?
C159 C160 C161 N7 0.0 . . . . ?
C157 N7 C161 C160 0.0 . . . . ?
Cs2 N7 C161 C160 -144.1(17) . . . . ?
C166 N8 C162 C163 0.00(8) . . . . ?
Cs2 N8 C162 C163 -130(6) . . . . ?
Cs2 N8 C162 C163 83(15) 2_765 . . . ?
C166 N8 C162 Cs2 130(6) . . . . ?
Cs2 N8 C162 Cs2 -147(18) 2_765 . . . ?
N8 C162 C163 C164 0.0 . . . . ?
Cs2 C162 C163 C164 -70(7) . . . . ?
C162 C163 C164 C165 0.00(6) . . . . ?
C163 C164 C165 C166 0.0 . . . . ?
C164 C165 C166 N8 0.0 . . . . ?
C164 C165 C166 Cs2 -142(10) . . . 2_765 ?
C162 N8 C166 C165 0.00(6) . . . . ?
Cs2 N8 C166 C165 125(5) . . . . ?
Cs2 N8 C166 C165 -154(6) 2_765 . . . ?
C162 N8 C166 Cs2 154(6) . . . 2_765 ?
Cs2 N8 C166 Cs2 -81(5) . . . 2_765 ?
C171 N9 C167 C168 0.0 . . . . ?
Cs3 N9 C167 C168 -131.3(11) . . . . ?
Cs3 N9 C167 C168 124.9(10) 2_776 . . . ?
N9 C167 C168 C169 0.0 . . . . ?
C167 C168 C169 C170 0.0 . . . . ?
C168 C169 C170 C171 0.0 . . . . ?
C169 C170 C171 N9 0.0 . . . . ?
C169 C170 C171 Cs3 70.8(11) . . . . ?
C167 N9 C171 C170 0.0 . . . . ?
Cs3 N9 C171 C170 137.7(10) . . . . ?
Cs3 N9 C171 C170 -123.2(10) 2_776 . . . ?
C167 N9 C171 Cs3 -137.7(10) . . . . ?
Cs3 N9 C171 Cs3 99.0(5) 2_776 . . . ?
C176 N10 C172 C173 0.0 . . . . ?
Cs3 N10 C172 C173 103.6(11) . . . . ?
C176 N10 C172 Cs3 -103.6(11) . . . . ?
N10 C172 C173 C174 0.0 . . . . ?
Cs3 C172 C173 C174 85.3(12) . . . . ?
C172 C173 C174 C175 0.0 . . . . ?
C173 C174 C175 C176 0.0 . . . . ?
C174 C175 C176 N10 0.0 . . . . ?
C172 N10 C176 C175 0.0 . . . . ?
Cs3 N10 C176 C175 -87.1(11) . . . . ?
C181 N11 C177 C178 0.0 . . . . ?
Cs3B N11 C177 C178 -155.1(19) . . . . ?
Cs3B N11 C177 C178 91.4(12) 2_776 . . . ?
C181 N11 C177 Cs3B -91.4(12) . . . 2_776 ?
Cs3B N11 C177 Cs3B 113.5(15) . . . 2_776 ?
N11 C177 C178 C179 0.0 . . . . ?
Cs3B C177 C178 C179 69.8(12) 2_776 . . . ?
C177 C178 C179 C180 0.0 . . . . ?
C178 C179 C180 C181 0.0 . . . . ?
C179 C180 C181 N11 0.0 . . . . ?
C179 C180 C181 Cs3B -72.3(12) . . . 2_776 ?
C177 N11 C181 C180 0.0 . . . . ?
Cs3B N11 C181 C180 159.6(16) . . . . ?
Cs3B N11 C181 C180 -92.8(13) 2_776 . . . ?
C177 N11 C181 Cs3B 92.8(13) . . . 2_776 ?
Cs3B N11 C181 Cs3B -107.5(8) . . . 2_776 ?
C186 N12 C182 C183 -10(5) . . . . ?
N12 C182 C183 C184 4(5) . . . . ?
C182 C183 C184 C185 -1(6) . . . . ?
C183 C184 C185 C186 4(6) . . . . ?
C184 C185 C186 N12 -11(6) . . . . ?
C182 N12 C186 C185 14(6) . . . . ?
C189 O4 C187 C188 -166(3) . . . . ?
C187 O4 C189 C190 -177(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C1 H1 S7 0.95 2.71 3.521(16) 143.8 . yes
C13 H9 S1 0.95 2.76 3.591(16) 146.1 . yes
C19 H13 S5 0.95 2.87 3.515(15) 126.0 . yes
C29 H20 N4^b 0.95 2.69 3.55(5) 150.3 2_766 yes
C31 H21 S19 0.95 2.89 3.451(12) 119.1 . yes
C43 H29 S17 0.95 2.84 3.478(17) 125.2 . yes
C55 H37 S9 0.95 2.77 3.506(11) 134.8 . yes
C61 H41 S13 0.95 2.90 3.452(12) 118.2 . yes
C67 H45 S21 0.95 2.77 3.498(11) 133.6 . yes
C130 H97 S18 0.95 3.01 3.597(18) 121.2 1_655 yes
C135 H102 S22 0.95 3.02 3.707(16) 130.7 . yes
C136 H103^b S6 0.95 2.98 3.733(19) 137.0 . yes
C146^b H113^b O4 0.95 2.35 3.28(4) 165.9 . yes
C151 H118 S14 0.95 2.99 3.88(3) 156.1 . yes
C153^a H120^a S4 0.95 3.00 3.711(10) 133.1 2_765 yes
C156^a H123^a S5 0.95 3.03 3.754(10) 134.2 . yes
C157 H124 N5 0.95 2.61 3.25(4) 125.4 . yes
C172^a H139^a O2^a 0.95 2.18 2.92(4) 133.9 . yes
C177^b H144^b S2 0.95 2.75 3.47(2) 133.1 2_776 yes




