# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_Ag6-R
_database_code_depnum_ccdc_archive 'CCDC 2211323'
loop_
_audit_author_name
_audit_author_address
'shuaibo wang'
;zhengzhou University
China
;
_audit_update_record             
;
2023-02-06 deposited with the CCDC.	2023-07-04 downloaded from the CCDC.
;
_audit_creation_date             2023-02-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C124 H98 Ag6 N16 P8 S4'
_chemical_formula_sum            'C124 H98 Ag6 N16 P8 S4'
_chemical_formula_weight         2835.40
_chemical_absolute_configuration syn
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N  S Ag'
_chemical_oxdiff_usercomment     ' '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   24.05180(10)
_cell_length_b                   24.08610(10)
_cell_length_c                   24.12200(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     13974.21(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    145752
_cell_measurement_temperature    150
_cell_measurement_theta_max      74.0820
_cell_measurement_theta_min      2.6160
_shelx_estimated_absorpt_T_max   0.590
_shelx_estimated_absorpt_T_min   0.432
_exptl_absorpt_coefficient_mu    8.418
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.28171
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'yellowish yellow'
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.348
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5680
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0558
_diffrn_reflns_av_unetI/netI     0.0231
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            351767
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.602
_diffrn_reflns_theta_min         2.592
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -57.00 -31.00   0.50    0.50    --    0.00 -19.00 150.00   52
  2  ω     53.00  86.00   0.50    0.50    --    0.00  77.00  30.00   66
  3  ω     55.00  88.00   0.50    0.50    --    0.00  77.00 -30.00   66
  4  ω    -68.00 -27.00   0.50    0.50    --    0.00 -57.00 -90.00   82
  5  ω    -77.00  18.00   0.50    0.50    --    0.00 -38.00 -60.00  190
  6  ω    -15.00  24.00   0.50    0.50    --    0.00 -19.00 150.00   78
  7  ω     11.00  37.00   0.50    0.50    --    0.00  77.00  30.00   52
  8  ω    -29.00  12.00   0.50    0.50    --    0.00  77.00 -30.00   82
  9  ω    -57.00  19.00   0.50    0.50    --    0.00 -38.00   0.00  152
 10  ω    -19.00  23.00   0.50    0.50    --    0.00 -57.00 -90.00   84
 11  ω    -30.00  -4.00   0.50    0.50    --    0.00  77.00  30.00   52
 12  ω    -89.00  22.00   0.50    0.50    --    0.00 -57.00-150.00  222
 13  ω    -87.00  23.00   0.50    0.50    --    0.00 -57.00 120.00  220
 14  ω     63.00  95.00   0.50    1.50    --   95.80  82.00  60.00   64
 15  ω     43.00 124.00   0.50    1.50    --   95.80 -82.00 -30.00  162
 16  ω    108.00 185.00   0.50    1.50    --   95.80  76.00 -10.95  154
 17  ω     70.00 185.00   0.50    1.50    --   95.80  63.00  38.82  230
 18  ω    138.00 184.00   0.50    1.50    --   95.80  78.00-112.01   92
 19  ω     65.00  90.00   0.50    1.50    --   95.80  76.00 -10.95   50
 20  ω    158.00 185.00   0.50    1.50    --   95.80  64.00-148.33   54
 21  ω     65.00  90.00   0.50    1.50    --   95.80  77.00-180.00   50
 22  ω     65.00  90.00   0.50    1.50    --   95.80  77.00 120.00   50
 23  ω     65.00  91.00   0.50    1.50    --   95.80  77.00-150.00   52
 24  ω     65.00  90.00   0.50    1.50    --   95.80  77.00-120.00   50
 25  ω      7.00 128.00   0.50    1.50    --   95.80 -82.00 120.00  242
 26  ω     63.00  88.00   0.50    1.50    --   95.80  82.00 -60.00   50
 27  ω     63.00 126.00   0.50    1.50    --   95.80  82.00   0.00  126
 28  ω    152.00 177.00   0.50    1.50    --   95.80  82.00   0.00   50
 29  ω     65.00  96.00   0.50    1.50    --   95.80  77.00  60.00   62
 30  ω    100.00 126.00   0.50    1.50    --   95.80  77.00  60.00   52
 31  ω     65.00  98.00   0.50    1.50    --   95.80  78.00-112.01   66
 32  ω     58.00 118.00   0.50    1.50    --   95.80 -82.00 -90.00  120
 33  ω     65.00  99.00   0.50    1.50    --   95.80  77.00  90.00   68
 34  ω     69.00  95.00   0.50    1.50    --   95.80  67.00 -29.99   52
 35  ω    107.00 184.00   0.50    1.50    --   95.80  68.00 -58.39  154
 36  ω     75.00 147.00   0.50    1.50    --   95.80  45.00 -60.00  144
 37  ω     83.00 127.00   0.50    1.50    --   95.80 -82.00-180.00   88
 38  ω    160.00 185.00   0.50    1.50    --   95.80  77.00 -90.00   50
 39  ω     75.00 161.00   0.50    1.50    --   95.80  45.00 120.00  172
 40  ω     65.00 103.00   0.50    1.50    --   95.80  77.00 150.00   76
 41  ω     63.00  88.00   0.50    1.50    --   95.80  82.00 -90.00   50
 42  ω     33.00  79.00   0.50    1.50    --   95.80 -82.00-180.00   92
 43  ω     75.00 182.00   0.50    1.50    --   95.80  45.00-150.00  214
 44  ω     65.00  90.00   0.50    1.50    --   95.80  77.00 -60.00   50
 45  ω     65.00  91.00   0.50    1.50    --   95.80  77.00  30.00   52
 46  ω    115.00 140.00   0.50    1.50    --   95.80  77.00  30.00   50
 47  ω     63.00  88.00   0.50    1.50    --   95.80  82.00-150.00   50
 48  ω     65.00  90.00   0.50    1.50    --   95.80  77.00 -30.00   50
 49  ω    159.00 184.00   0.50    1.50    --   95.80  77.00 -30.00   50
 50  ω    114.00 174.00   0.50    1.50    --   95.80  82.00  30.00  120
 51  ω     65.00  90.00   0.50    1.50    --   95.80  77.00 -90.00   50
 52  ω     63.00  89.00   0.50    1.50    --   95.80  82.00  90.00   52
 53  ω     63.00  97.00   0.50    1.50    --   95.80  82.00 150.00   68
 54  ω     75.00 100.00   0.50    1.50    --   95.80  45.00  90.00   50
 55  ω    123.00 185.00   0.50    1.50    --   95.80  45.00  90.00  124
 56  ω     75.00 101.00   0.50    1.50    --   95.80  45.00 150.00   52
 57  ω     75.00 106.00   0.50    1.50    --   95.80  45.00 -90.00   62
 58  ω    117.00 183.00   0.50    1.50    --   95.80  76.00 140.82  132
 59  ω     65.00  90.00   0.50    1.50    --   95.80  77.00   0.00   50
 60  ω     63.00  88.00   0.50    1.50    --   95.80  82.00-180.00   50
 61  ω    123.00 185.00   0.50    1.50    --   95.80  82.00-180.00  124
 62  ω     75.00 107.00   0.50    1.50    --   95.80  45.00-120.00   64
 63  ω     63.00  88.00   0.50    1.50    --   95.80  82.00  30.00   50
 64  ω     71.00 103.00   0.50    1.50    --   95.80  61.00   0.00   64
 65  ω    113.00 185.00   0.50    1.50    --   95.80  82.00 120.00  144
 66  ω     63.00  88.00   0.50    1.50    --   95.80  82.00 120.00   50
 67  ω    131.00 164.00   0.50    1.50    --   95.80  45.00-120.00   66
 68  ω    158.00 185.00   0.50    1.50    --   95.80  82.00  60.00   54
 69  ω     65.00  90.00   0.50    1.50    --   95.80  76.00 140.82   50
 70  ω     68.00  93.00   0.50    1.50    --   95.80  68.00 -58.39   50
 71  ω     70.00  95.00   0.50    1.50    --   95.80  64.00-148.33   50
 72  ω     46.00 128.00   0.50    1.50    --   95.80 -82.00  30.00  164
 73  ω     73.00 182.00   0.50    1.50    --   95.80  52.00 -33.11  218
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0317637000
_diffrn_orient_matrix_UB_12      -0.0278370000
_diffrn_orient_matrix_UB_13      -0.0479913000
_diffrn_orient_matrix_UB_21      0.0479323000
_diffrn_orient_matrix_UB_22      -0.0143994000
_diffrn_orient_matrix_UB_23      0.0398747000
_diffrn_orient_matrix_UB_31      -0.0282388000
_diffrn_orient_matrix_UB_32      -0.0557510000
_diffrn_orient_matrix_UB_33      0.0136048000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.860
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.991
_reflns_number_gt                27179
_reflns_number_total             28438
_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       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2013/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.999
_refine_diff_density_min         -1.244
_refine_diff_density_rms         0.086
_refine_ls_abs_structure_details 
;
 Flack x determined using 12049 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   -0.0088(18)
_refine_ls_extinction_coef       0.000018(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1424
_refine_ls_number_reflns         28438
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0369
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0595P)²+17.2730P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0983
_refine_ls_wR_factor_ref         0.0994
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N14(H14), N5(H5), C126(H126), C55(H55), C57(H57), C53(H53), C96(H96),
 C109(H109), C35(H35), C120(H120), C40(H40), C32(H32), C44(H44), C49(H49),
 C36(H36), C51(H51), C58(H58), C72(H72), C114(H114), C52(H52), C26(H26),
 C60(H60), C33(H33), C99(H99), C34(H34), C22(H22), C101(H101), C125(H125),
 C107(H107), C85(H85), C6(H6), C20(H20), C9(H9), C76(H76), C63(H63), C98(H98),
 C92(H92), C62(H62), C73(H73), C100(H100), C118(H118), C70(H70), C23(H23),
 C86(H86), C38(H38), C68(H68), C59(H59), C28(H28), C102(H102), C71(H71),
 C83(H83), C24(H24), C88(H88), C8(H8), C78(H78), C30(H30), C29(H29), C80(H80),
 C81(H81), C124(H124), C117(H117), C116(H116), C103(H103), C46(H46), C61(H61),
 C4(H4), C69(H69), C48(H48), C27(H27), C90(H90), C122(H122), C87(H87), C82(H82),
  C111(H111), C93(H93), C43(H43), C12(H12), C41(H41), C89(H89), C47(H47),
 C110(H110), C11(H11), C75(H75), C94(H94), C16(H16), C123(H123), C42(H42),
 C64(H64), C19(H19), C65(H65), C105(H105), C104(H104), C13(H13), C115(H115),
 C18(H18), C17(H17), C95(H95), C10(H10)
;
_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 0.57495(2) 0.30585(2) 0.34658(2) 0.03034(9) Uani 1 1 d . . . . .
Ag1 Ag 0.77388(2) 0.29540(2) 0.35929(2) 0.03237(9) Uani 1 1 d . . . . .
Ag6 Ag 0.53020(2) 0.31431(2) 0.14252(2) 0.03382(9) Uani 1 1 d . . . . .
Ag5 Ag 0.74715(2) 0.31592(2) 0.15123(2) 0.03581(10) Uani 1 1 d . . . . .
Ag4 Ag 0.60421(2) 0.27311(2) 0.22693(2) 0.04368(12) Uani 1 1 d . . . . .
Ag2 Ag 0.68233(2) 0.33750(2) 0.28844(2) 0.04264(12) Uani 1 1 d . . . . .
P8 P 0.78479(6) 0.37366(6) 0.42273(6) 0.0274(3) Uani 1 1 d . . . . .
P4 P 0.56865(6) 0.38892(6) 0.40552(6) 0.0302(3) Uani 1 1 d . . . . .
S4 S 0.67141(5) 0.25890(6) 0.36072(6) 0.0323(3) Uani 1 1 d . . . . .
P5 P 0.46660(6) 0.23499(6) 0.14924(6) 0.0313(3) Uani 1 1 d . . . . .
S2 S 0.64120(6) 0.28462(6) 0.12678(7) 0.0380(3) Uani 1 1 d . . . . .
P3 P 0.50737(6) 0.23081(6) 0.36098(6) 0.0296(3) Uani 1 1 d . . . . .
P1 P 0.82331(6) 0.24501(7) 0.14148(7) 0.0345(3) Uani 1 1 d . . . . .
P7 P 0.74138(6) 0.39434(6) 0.08255(6) 0.0303(3) Uani 1 1 d . . . . .
P2 P 0.83099(6) 0.21159(6) 0.35397(6) 0.0309(3) Uani 1 1 d . . . . .
P6 P 0.52332(6) 0.40105(6) 0.09068(6) 0.0310(3) Uani 1 1 d . . . . .
S1 S 0.53286(7) 0.34458(6) 0.25005(6) 0.0360(3) Uani 1 1 d . . . . .
S3 S 0.78195(8) 0.34479(8) 0.25561(7) 0.0439(4) Uani 1 1 d . . . . .
N20 N 0.6327(2) 0.4150(2) 0.0877(2) 0.0314(10) Uani 1 1 d . . . . .
N19 N 0.6783(2) 0.3996(2) 0.4127(2) 0.0299(10) Uani 1 1 d . . . . .
N18 N 0.4865(2) 0.2144(2) 0.2541(2) 0.0304(10) Uani 1 1 d . . . . .
N17 N 0.8257(2) 0.2091(2) 0.2449(2) 0.0333(10) Uani 1 1 d . . . . .
N14 N 0.6486(2) 0.1696(2) 0.1236(2) 0.0393(12) Uani 1 1 d . . . . .
H14 H 0.6513 0.1661 0.1598 0.047 Uiso 1 1 calc R U . . .
C108 C 0.5856(2) 0.4444(3) 0.0950(2) 0.0302(12) Uani 1 1 d . . . . .
N11 N 0.6521(2) 0.2047(2) 0.2625(2) 0.0386(12) Uani 1 1 d . . . . .
N12 N 0.6595(2) 0.1558(2) 0.2384(2) 0.0388(12) Uani 1 1 d . . . . .
N13 N 0.6826(2) 0.1199(2) 0.2734(3) 0.0419(12) Uani 1 1 d . . . . .
N5 N 0.7592(3) 0.4581(3) 0.2567(2) 0.0507(16) Uani 1 1 d . . . . .
H5 H 0.7233 0.4539 0.2511 0.061 Uiso 1 1 calc R U . . .
C126 C 0.7411(3) 0.3881(3) 0.5306(2) 0.0321(12) Uani 1 1 d . . . . .
H126 H 0.7162 0.4145 0.5151 0.038 Uiso 1 1 calc R U . . .
N9 N 0.6474(3) 0.4570(2) 0.2498(2) 0.0443(13) Uani 1 1 d . . . . .
C39 C 0.5656(3) 0.3693(3) 0.4791(3) 0.0364(13) Uani 1 1 d . . . . .
C55 C 0.8574(3) 0.4623(3) 0.4473(3) 0.0363(13) Uani 1 1 d . . . . .
H55 H 0.8297 0.4748 0.4724 0.044 Uiso 1 1 calc R U . . .
C121 C 0.7782(2) 0.3616(2) 0.4975(2) 0.0300(11) Uani 1 1 d . . . . .
C67 C 0.9030(3) 0.2350(2) 0.3607(3) 0.0347(12) Uani 1 1 d . . . . .
C97 C 0.7995(2) 0.4434(2) 0.0789(2) 0.0303(12) Uani 1 1 d . . . . .
C77 C 0.8251(2) 0.1895(3) 0.1939(3) 0.0346(12) Uani 1 1 d . . . . .
C57 C 0.8915(2) 0.3949(3) 0.3825(2) 0.0321(12) Uani 1 1 d . . . . .
H57 H 0.8868 0.3612 0.3626 0.039 Uiso 1 1 calc R U . . .
C53 C 0.7362(2) 0.4773(2) 0.3877(2) 0.0290(11) Uani 1 1 d . . . . .
H53 H 0.7722 0.4930 0.3845 0.035 Uiso 1 1 calc R U . . .
N15 N 0.6494(3) 0.1265(3) 0.0884(3) 0.0536(16) Uani 1 1 d . . . . .
C112 C 0.6817(2) 0.4407(2) 0.0916(2) 0.0298(12) Uani 1 1 d . . . . .
C54 C 0.7288(2) 0.4228(3) 0.4072(2) 0.0292(11) Uani 1 1 d . . . . .
C96 C 0.8181(3) 0.4676(3) 0.0306(2) 0.0334(12) Uani 1 1 d . . . . .
H96 H 0.8008 0.4589 -0.0037 0.040 Uiso 1 1 calc R U . . .
N10 N 0.6050(3) 0.4914(2) 0.2444(2) 0.0490(14) Uani 1 1 d . . . . .
C109 C 0.5870(3) 0.5013(3) 0.1079(3) 0.0435(16) Uani 1 1 d . . . . .
H109 H 0.5536 0.5216 0.1136 0.052 Uiso 1 1 calc R U . . .
C21 C 0.4880(2) 0.1879(3) 0.2051(2) 0.0324(12) Uani 1 1 d . . . . .
C56 C 0.8496(2) 0.4134(2) 0.4182(2) 0.0289(11) Uani 1 1 d . . . . .
C37 C 0.5152(2) 0.1838(3) 0.4191(2) 0.0338(12) Uani 1 1 d . . . . .
C35 C 0.5725(3) 0.1491(3) 0.4935(3) 0.0407(14) Uani 1 1 d . . . . .
H35 H 0.6071 0.1490 0.5126 0.049 Uiso 1 1 calc R U . . .
C120 C 0.6898(3) 0.1477(3) 0.3218(3) 0.0432(15) Uani 1 1 d . . . . .
H120 H 0.7052 0.1324 0.3548 0.052 Uiso 1 1 calc R U . . .
C40 C 0.5206(3) 0.3829(3) 0.5129(3) 0.0455(16) Uani 1 1 d . . . . .
H40 H 0.4911 0.4045 0.4980 0.055 Uiso 1 1 calc R U . . .
C91 C 0.7348(3) 0.3703(3) 0.0111(3) 0.0349(13) Uani 1 1 d . . . . .
N8 N 0.6295(2) 0.4049(2) 0.2525(2) 0.0408(12) Uani 1 1 d . . . . .
C32 C 0.4720(3) 0.1485(3) 0.4366(3) 0.0371(13) Uani 1 1 d . . . . .
H32 H 0.4378 0.1475 0.4169 0.045 Uiso 1 1 calc R U . . .
C44 C 0.4696(2) 0.4249(3) 0.3601(3) 0.0392(14) Uani 1 1 d . . . . .
H44 H 0.4707 0.3905 0.3409 0.047 Uiso 1 1 calc R U . . .
C49 C 0.4256(3) 0.4609(3) 0.3515(4) 0.0509(17) Uani 1 1 d . . . . .
H49 H 0.3964 0.4509 0.3269 0.061 Uiso 1 1 calc R U . . .
C36 C 0.5654(3) 0.1836(3) 0.4482(2) 0.0354(13) Uani 1 1 d . . . . .
H36 H 0.5948 0.2073 0.4367 0.042 Uiso 1 1 calc R U . . .
C14 C 0.4578(3) 0.1915(3) 0.0879(2) 0.0366(13) Uani 1 1 d . . . . .
C50 C 0.6332(2) 0.4295(2) 0.3995(2) 0.0297(12) Uani 1 1 d . . . . .
C51 C 0.6366(2) 0.4838(2) 0.3786(2) 0.0309(12) Uani 1 1 d . . . . .
H51 H 0.6041 0.5038 0.3686 0.037 Uiso 1 1 calc R U . . .
C25 C 0.5017(2) 0.1864(3) 0.3002(2) 0.0321(12) Uani 1 1 d . . . . .
N16 N 0.6449(3) 0.1480(3) 0.0385(3) 0.0629(19) Uani 1 1 d . . . . .
C74 C 0.8289(2) 0.1742(3) 0.2873(3) 0.0354(13) Uani 1 1 d . . . . .
C58 C 0.9391(3) 0.4251(3) 0.3762(3) 0.0400(14) Uani 1 1 d . . . . .
H58 H 0.9680 0.4116 0.3529 0.048 Uiso 1 1 calc R U . . .
C72 C 0.9249(3) 0.2429(3) 0.4135(3) 0.0363(13) Uani 1 1 d . . . . .
H72 H 0.9053 0.2296 0.4450 0.044 Uiso 1 1 calc R U . . .
C114 C 0.4513(3) 0.4943(3) 0.0801(3) 0.0431(15) Uani 1 1 d . . . . .
H114 H 0.4691 0.5023 0.0459 0.052 Uiso 1 1 calc R U . . .
C15 C 0.3959(3) 0.2530(3) 0.1705(3) 0.0423(15) Uani 1 1 d . . . . .
C52 C 0.6892(3) 0.5073(3) 0.3732(2) 0.0337(12) Uani 1 1 d . . . . .
H52 H 0.6929 0.5441 0.3594 0.040 Uiso 1 1 calc R U . . .
C119 C 0.6713(2) 0.2017(3) 0.3156(3) 0.0334(12) Uani 1 1 d . . . . .
C26 C 0.4036(3) 0.2788(3) 0.3305(3) 0.0391(14) Uani 1 1 d . . . . .
H26 H 0.4089 0.2644 0.2942 0.047 Uiso 1 1 calc R U . . .
C60 C 0.9058(3) 0.4932(3) 0.4399(3) 0.0399(14) Uani 1 1 d . . . . .
H60 H 0.9111 0.5267 0.4599 0.048 Uiso 1 1 calc R U . . .
C33 C 0.4798(3) 0.1150(3) 0.4831(3) 0.0408(15) Uani 1 1 d . . . . .
H33 H 0.4504 0.0919 0.4956 0.049 Uiso 1 1 calc R U . . .
C31 C 0.4411(2) 0.2649(3) 0.3722(2) 0.0330(12) Uani 1 1 d . . . . .
C99 C 0.8686(3) 0.4949(3) 0.1300(3) 0.0467(16) Uani 1 1 d . . . . .
H99 H 0.8854 0.5045 0.1644 0.056 Uiso 1 1 calc R U . . .
C34 C 0.5302(3) 0.1150(3) 0.5115(2) 0.0389(14) Uani 1 1 d . . . . .
H34 H 0.5353 0.0917 0.5429 0.047 Uiso 1 1 calc R U . . .
C22 C 0.5062(3) 0.1339(3) 0.1993(3) 0.0404(14) Uani 1 1 d . . . . .
H22 H 0.5072 0.1166 0.1639 0.048 Uiso 1 1 calc R U . . .
C101 C 0.8622(3) 0.5049(3) 0.0322(3) 0.0359(13) Uani 1 1 d . . . . .
H101 H 0.8750 0.5212 -0.0013 0.043 Uiso 1 1 calc R U . . .
C7 C 0.7952(3) 0.4150(3) 0.2608(3) 0.0466(17) Uani 1 1 d . . . . .
C125 C 0.7392(3) 0.3765(3) 0.5875(3) 0.0384(14) Uani 1 1 d . . . . .
H125 H 0.7126 0.3947 0.6103 0.046 Uiso 1 1 calc R U . . .
C84 C 0.8920(3) 0.2753(3) 0.1522(3) 0.0390(13) Uani 1 1 d . . . . .
C106 C 0.5188(3) 0.3882(3) 0.0162(3) 0.0381(14) Uani 1 1 d . . . . .
N7 N 0.8369(4) 0.4981(4) 0.2683(3) 0.077(3) Uani 1 1 d . . . . .
C107 C 0.4738(3) 0.4053(3) -0.0168(3) 0.0469(16) Uani 1 1 d . . . . .
H107 H 0.4435 0.4246 -0.0005 0.056 Uiso 1 1 calc R U . . .
C3 C 0.6432(3) 0.2184(3) 0.0976(3) 0.0370(13) Uani 1 1 d . . . . .
C85 C 0.8978(3) 0.3327(3) 0.1556(3) 0.0549(18) Uani 1 1 d . . . . .
H85 H 0.8660 0.3558 0.1518 0.066 Uiso 1 1 calc R U . . .
C6 C 0.5581(3) 0.4610(3) 0.2441(3) 0.0427(15) Uani 1 1 d . . . . .
H6 H 0.5212 0.4749 0.2411 0.051 Uiso 1 1 calc R U . . .
C20 C 0.3770(3) 0.3067(4) 0.1615(3) 0.056(2) Uani 1 1 d . . . . .
H20 H 0.4004 0.3334 0.1442 0.068 Uiso 1 1 calc R U . . .
C113 C 0.4665(3) 0.4475(3) 0.1100(3) 0.0374(13) Uani 1 1 d . . . . .
C79 C 0.8284(3) 0.2082(3) 0.0748(3) 0.0385(14) Uani 1 1 d . . . . .
C9 C 0.4914(4) 0.2010(4) 0.0436(3) 0.057(2) Uani 1 1 d . . . . .
H9 H 0.5197 0.2285 0.0454 0.068 Uiso 1 1 calc R U . . .
C76 C 0.8256(3) 0.1324(3) 0.1822(3) 0.0467(16) Uani 1 1 d . . . . .
H76 H 0.8243 0.1190 0.1452 0.056 Uiso 1 1 calc R U . . .
C63 C 0.8036(4) 0.0797(4) 0.4898(4) 0.068(2) Uani 1 1 d . . . . .
H63 H 0.7977 0.0534 0.5186 0.081 Uiso 1 1 calc R U . . .
C98 C 0.8252(3) 0.4574(3) 0.1288(3) 0.0433(15) Uani 1 1 d . . . . .
H98 H 0.8127 0.4409 0.1623 0.052 Uiso 1 1 calc R U . . .
C92 C 0.7042(3) 0.3982(3) -0.0290(3) 0.0388(14) Uani 1 1 d . . . . .
H92 H 0.6834 0.4302 -0.0188 0.047 Uiso 1 1 calc R U . . .
C62 C 0.7670(4) 0.1227(4) 0.4830(3) 0.0543(19) Uani 1 1 d . . . . .
H62 H 0.7352 0.1253 0.5062 0.065 Uiso 1 1 calc R U . . .
C73 C 0.8291(3) 0.1171(3) 0.2796(3) 0.0478(17) Uani 1 1 d . . . . .
H73 H 0.8300 0.0927 0.3105 0.057 Uiso 1 1 calc R U . . .
C45 C 0.5122(2) 0.4385(3) 0.3966(3) 0.0353(13) Uani 1 1 d . . . . .
C5 C 0.5733(3) 0.4049(3) 0.2488(2) 0.0377(13) Uani 1 1 d . . . . .
C100 C 0.8876(3) 0.5185(3) 0.0816(3) 0.0414(15) Uani 1 1 d . . . . .
H100 H 0.9178 0.5439 0.0822 0.050 Uiso 1 1 calc R U . . .
C118 C 0.4404(3) 0.4368(3) 0.1606(3) 0.0414(15) Uani 1 1 d . . . . .
H118 H 0.4509 0.4051 0.1815 0.050 Uiso 1 1 calc R U . . .
C70 C 1.0047(3) 0.2884(3) 0.3746(3) 0.0445(16) Uani 1 1 d . . . . .
H70 H 1.0393 0.3068 0.3790 0.053 Uiso 1 1 calc R U . . .
C23 C 0.5230(3) 0.1055(3) 0.2469(3) 0.0454(16) Uani 1 1 d . . . . .
H23 H 0.5359 0.0683 0.2444 0.055 Uiso 1 1 calc R U . . .
C86 C 0.9394(3) 0.2433(3) 0.1579(4) 0.0520(18) Uani 1 1 d . . . . .
H86 H 0.9365 0.2040 0.1559 0.062 Uiso 1 1 calc R U . . .
C38 C 0.6082(3) 0.3366(4) 0.5006(3) 0.0501(17) Uani 1 1 d . . . . .
H38 H 0.6380 0.3254 0.4773 0.060 Uiso 1 1 calc R U . . .
C68 C 0.9330(3) 0.2539(3) 0.3146(3) 0.0450(16) Uani 1 1 d . . . . .
H68 H 0.9188 0.2491 0.2781 0.054 Uiso 1 1 calc R U . . .
C66 C 0.8228(3) 0.1589(3) 0.4075(3) 0.0383(13) Uani 1 1 d . . . . .
C59 C 0.9457(3) 0.4752(3) 0.4038(3) 0.0406(15) Uani 1 1 d . . . . .
H59 H 0.9780 0.4971 0.3975 0.049 Uiso 1 1 calc R U . . .
C28 C 0.3489(3) 0.3343(4) 0.3942(3) 0.0476(17) Uani 1 1 d . . . . .
H28 H 0.3177 0.3574 0.4016 0.057 Uiso 1 1 calc R U . . .
C102 C 0.5616(3) 0.3592(3) -0.0088(3) 0.0484(17) Uani 1 1 d . . . . .
H102 H 0.5920 0.3465 0.0131 0.058 Uiso 1 1 calc R U . . .
C71 C 0.9758(3) 0.2704(3) 0.4207(3) 0.0402(14) Uani 1 1 d . . . . .
H71 H 0.9902 0.2765 0.4568 0.048 Uiso 1 1 calc R U . . .
C83 C 0.7847(3) 0.1482(4) 0.0085(3) 0.055(2) Uani 1 1 d . . . . .
H83 H 0.7546 0.1248 -0.0019 0.066 Uiso 1 1 calc R U . . .
C24 C 0.5207(3) 0.1321(3) 0.2975(3) 0.0418(15) Uani 1 1 d . . . . .
H24 H 0.5320 0.1133 0.3303 0.050 Uiso 1 1 calc R U . . .
C88 C 0.9913(3) 0.2671(4) 0.1667(3) 0.056(2) Uani 1 1 d . . . . .
H88 H 1.0233 0.2442 0.1700 0.067 Uiso 1 1 calc R U . . .
C8 C 0.8470(4) 0.4429(5) 0.2668(3) 0.069(3) Uani 1 1 d . . . . .
H8 H 0.8825 0.4258 0.2693 0.083 Uiso 1 1 calc R U . . .
N6 N 0.7834(4) 0.5076(3) 0.2618(3) 0.067(2) Uani 1 1 d . . . . .
C78 C 0.7845(3) 0.1752(3) 0.0591(3) 0.0487(17) Uani 1 1 d . . . . .
H78 H 0.7536 0.1709 0.0833 0.058 Uiso 1 1 calc R U . . .
C30 C 0.4310(3) 0.2867(3) 0.4255(3) 0.0411(15) Uani 1 1 d . . . . .
H30 H 0.4558 0.2776 0.4549 0.049 Uiso 1 1 calc R U . . .
C29 C 0.3866(3) 0.3203(3) 0.4362(3) 0.0485(17) Uani 1 1 d . . . . .
H29 H 0.3812 0.3345 0.4726 0.058 Uiso 1 1 calc R U . . .
C80 C 0.8733(3) 0.2158(3) 0.0385(3) 0.0434(15) Uani 1 1 d . . . . .
H80 H 0.9034 0.2393 0.0484 0.052 Uiso 1 1 calc R U . . .
C81 C 0.8731(3) 0.1881(4) -0.0125(3) 0.0509(17) Uani 1 1 d . . . . .
H81 H 0.9036 0.1922 -0.0371 0.061 Uiso 1 1 calc R U . . .
C124 C 0.7752(3) 0.3390(4) 0.6106(3) 0.0518(18) Uani 1 1 d . . . . .
H124 H 0.7735 0.3313 0.6491 0.062 Uiso 1 1 calc R U . . .
C117 C 0.4001(3) 0.4712(4) 0.1803(3) 0.0552(19) Uani 1 1 d . . . . .
H117 H 0.3819 0.4626 0.2142 0.066 Uiso 1 1 calc R U . . .
C116 C 0.4103(3) 0.5292(3) 0.1001(3) 0.0492(17) Uani 1 1 d . . . . .
H116 H 0.3990 0.5605 0.0789 0.059 Uiso 1 1 calc R U . . .
C103 C 0.5609(3) 0.3486(4) -0.0646(3) 0.062(2) Uani 1 1 d . . . . .
H103 H 0.5908 0.3286 -0.0809 0.074 Uiso 1 1 calc R U . . .
C46 C 0.5099(3) 0.4896(3) 0.4246(3) 0.0430(15) Uani 1 1 d . . . . .
H46 H 0.5390 0.4998 0.4491 0.052 Uiso 1 1 calc R U . . .
C61 C 0.7762(3) 0.1621(3) 0.4428(3) 0.0408(14) Uani 1 1 d . . . . .
H61 H 0.7507 0.1920 0.4387 0.049 Uiso 1 1 calc R U . . .
C4 C 0.6410(3) 0.2035(4) 0.0424(3) 0.0550(19) Uani 1 1 d . . . . .
H4 H 0.6374 0.2284 0.0121 0.066 Uiso 1 1 calc R U . . .
C69 C 0.9838(3) 0.2798(3) 0.3232(3) 0.0487(17) Uani 1 1 d . . . . .
H69 H 1.0047 0.2919 0.2921 0.058 Uiso 1 1 calc R U . . .
C48 C 0.4240(3) 0.5116(3) 0.3788(4) 0.0536(19) Uani 1 1 d . . . . .
H48 H 0.3947 0.5371 0.3717 0.064 Uiso 1 1 calc R U . . .
C27 C 0.3585(3) 0.3134(3) 0.3413(3) 0.0445(15) Uani 1 1 d . . . . .
H27 H 0.3338 0.3230 0.3120 0.053 Uiso 1 1 calc R U . . .
C90 C 0.7654(4) 0.3254(4) -0.0054(3) 0.059(2) Uani 1 1 d . . . . .
H90 H 0.7877 0.3063 0.0210 0.071 Uiso 1 1 calc R U . . .
C122 C 0.8140(3) 0.3229(4) 0.5207(3) 0.056(2) Uani 1 1 d . . . . .
H122 H 0.8391 0.3029 0.4977 0.068 Uiso 1 1 calc R U . . .
C87 C 0.9483(4) 0.3561(4) 0.1642(4) 0.059(2) Uani 1 1 d . . . . .
H87 H 0.9512 0.3954 0.1659 0.071 Uiso 1 1 calc R U . . .
C82 C 0.8295(4) 0.1556(4) -0.0269(3) 0.057(2) Uani 1 1 d . . . . .
H82 H 0.8297 0.1374 -0.0618 0.068 Uiso 1 1 calc R U . . .
C111 C 0.6860(3) 0.4967(3) 0.1046(3) 0.0405(14) Uani 1 1 d . . . . .
H111 H 0.7214 0.5137 0.1082 0.049 Uiso 1 1 calc R U . . .
C93 C 0.7035(3) 0.3804(3) -0.0832(3) 0.0472(16) Uani 1 1 d . . . . .
H93 H 0.6813 0.3993 -0.1097 0.057 Uiso 1 1 calc R U . . .
C43 C 0.6076(4) 0.3202(4) 0.5561(4) 0.061(2) Uani 1 1 d . . . . .
H43 H 0.6377 0.2998 0.5713 0.073 Uiso 1 1 calc R U . . .
C12 C 0.4108(4) 0.1206(4) 0.0365(4) 0.071(3) Uani 1 1 d . . . . .
H12 H 0.3826 0.0930 0.0342 0.085 Uiso 1 1 calc R U . . .
C41 C 0.5179(4) 0.3663(4) 0.5663(3) 0.056(2) Uani 1 1 d . . . . .
H41 H 0.4868 0.3759 0.5887 0.068 Uiso 1 1 calc R U . . .
C89 C 0.9965(3) 0.3237(4) 0.1707(3) 0.058(2) Uani 1 1 d . . . . .
H89 H 1.0316 0.3405 0.1776 0.070 Uiso 1 1 calc R U . . .
C47 C 0.4659(3) 0.5248(3) 0.4166(4) 0.0530(19) Uani 1 1 d . . . . .
H47 H 0.4638 0.5585 0.4371 0.064 Uiso 1 1 calc R U . . .
C110 C 0.6381(3) 0.5270(3) 0.1121(4) 0.0502(18) Uani 1 1 d . . . . .
H110 H 0.6403 0.5655 0.1203 0.060 Uiso 1 1 calc R U . . .
C11 C 0.4442(5) 0.1309(4) -0.0085(4) 0.071(3) Uani 1 1 d . . . . .
H11 H 0.4391 0.1107 -0.0420 0.086 Uiso 1 1 calc R U . . .
C75 C 0.8280(4) 0.0966(3) 0.2268(3) 0.056(2) Uani 1 1 d . . . . .
H75 H 0.8290 0.0577 0.2207 0.068 Uiso 1 1 calc R U . . .
C94 C 0.7343(4) 0.3358(4) -0.0992(3) 0.061(2) Uani 1 1 d . . . . .
H94 H 0.7352 0.3244 -0.1369 0.073 Uiso 1 1 calc R U . . .
C16 C 0.3601(3) 0.2152(4) 0.1980(3) 0.0504(18) Uani 1 1 d . . . . .
H16 H 0.3722 0.1784 0.2051 0.061 Uiso 1 1 calc R U . . .
C123 C 0.8135(4) 0.3130(5) 0.5782(3) 0.072(3) Uani 1 1 d . . . . .
H123 H 0.8397 0.2883 0.5944 0.087 Uiso 1 1 calc R U . . .
C42 C 0.5624(5) 0.3342(4) 0.5884(3) 0.073(3) Uani 1 1 d . . . . .
H42 H 0.5609 0.3222 0.6259 0.088 Uiso 1 1 calc R U . . .
C64 C 0.8488(5) 0.0742(3) 0.4553(4) 0.066(2) Uani 1 1 d . . . . .
H64 H 0.8729 0.0432 0.4588 0.079 Uiso 1 1 calc R U . . .
C19 C 0.3233(4) 0.3211(5) 0.1780(3) 0.074(3) Uani 1 1 d . . . . .
H19 H 0.3099 0.3575 0.1710 0.089 Uiso 1 1 calc R U . . .
C65 C 0.8591(3) 0.1146(3) 0.4149(4) 0.0515(18) Uani 1 1 d . . . . .
H65 H 0.8914 0.1118 0.3923 0.062 Uiso 1 1 calc R U . . .
C105 C 0.4738(4) 0.3942(4) -0.0732(3) 0.062(2) Uani 1 1 d . . . . .
H105 H 0.4433 0.4059 -0.0953 0.075 Uiso 1 1 calc R U . . .
C104 C 0.5171(4) 0.3666(4) -0.0976(4) 0.064(2) Uani 1 1 d . . . . .
H104 H 0.5173 0.3599 -0.1364 0.077 Uiso 1 1 calc R U . . .
C13 C 0.4180(4) 0.1501(4) 0.0850(4) 0.066(3) Uani 1 1 d . . . . .
H13 H 0.3956 0.1420 0.1165 0.080 Uiso 1 1 calc R U . . .
C115 C 0.3852(3) 0.5185(3) 0.1515(3) 0.0543(18) Uani 1 1 d . . . . .
H115 H 0.3584 0.5435 0.1663 0.065 Uiso 1 1 calc R U . . .
C18 C 0.2888(4) 0.2821(6) 0.2048(4) 0.084(4) Uani 1 1 d . . . . .
H18 H 0.2523 0.2921 0.2160 0.100 Uiso 1 1 calc R U . . .
C17 C 0.3078(3) 0.2319(6) 0.2142(4) 0.074(3) Uani 1 1 d . . . . .
H17 H 0.2846 0.2061 0.2329 0.088 Uiso 1 1 calc R U . . .
C95 C 0.7643(4) 0.3075(4) -0.0590(4) 0.077(3) Uani 1 1 d . . . . .
H95 H 0.7844 0.2751 -0.0690 0.092 Uiso 1 1 calc R U . . .
C10 C 0.4839(5) 0.1698(4) -0.0049(3) 0.073(3) Uani 1 1 d . . . . .
H10 H 0.5074 0.1763 -0.0359 0.088 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag3 Ag4 3.0736(7) . ?
Ag3 Ag2 3.0363(6) . ?
Ag3 P4 2.4591(15) . ?
Ag3 S4 2.6034(14) . ?
Ag3 P3 2.4555(14) . ?
Ag3 S1 2.7049(15) . ?
Ag1 Ag2 2.9661(7) . ?
Ag1 P8 2.4422(15) . ?
Ag1 S4 2.6169(14) . ?
Ag1 P2 2.4450(15) . ?
Ag1 S3 2.7764(17) . ?
Ag6 Ag4 2.8807(7) . ?
Ag6 P5 2.4527(15) . ?
Ag6 S2 2.7899(16) . ?
Ag6 P6 2.4406(15) . ?
Ag6 S1 2.6951(15) . ?
Ag5 S2 2.7221(16) . ?
Ag5 P1 2.5155(16) . ?
Ag5 P7 2.5162(15) . ?
Ag5 S3 2.7429(17) . ?
Ag4 Ag2 2.8527(7) . ?
Ag4 S2 2.5894(17) . ?
Ag4 S1 2.4937(16) . ?
Ag4 N11 2.185(5) . ?
Ag2 S4 2.5871(16) . ?
Ag2 S3 2.5296(18) . ?
Ag2 N8 2.237(5) . ?
P8 C121 1.833(6) . ?
P8 C54 1.832(6) . ?
P8 C56 1.833(6) . ?
P4 C39 1.838(7) . ?
P4 C50 1.841(6) . ?
P4 C45 1.822(6) . ?
S4 C119 1.756(7) . ?
P5 C21 1.836(6) . ?
P5 C14 1.825(6) . ?
P5 C15 1.828(7) . ?
S2 C3 1.743(7) . ?
P3 C37 1.812(6) . ?
P3 C25 1.820(6) . ?
P3 C31 1.814(6) . ?
P1 C77 1.841(7) . ?
P1 C84 1.824(7) . ?
P1 C79 1.841(7) . ?
P7 C97 1.831(6) . ?
P7 C112 1.831(6) . ?
P7 C91 1.825(7) . ?
P2 C67 1.828(6) . ?
P2 C74 1.843(7) . ?
P2 C66 1.820(7) . ?
P6 C108 1.829(6) . ?
P6 C106 1.826(7) . ?
P6 C113 1.825(7) . ?
S1 C5 1.748(7) . ?
S3 C7 1.725(8) . ?
N20 C108 1.348(8) . ?
N20 C112 1.336(7) . ?
N19 C54 1.342(7) . ?
N19 C50 1.341(7) . ?
N18 C21 1.344(8) . ?
N18 C25 1.352(7) . ?
N17 C77 1.317(8) . ?
N17 C74 1.327(8) . ?
N14 H14 0.8800 . ?
N14 N15 1.341(8) . ?
N14 C3 1.340(8) . ?
C108 C109 1.406(9) . ?
N11 N12 1.327(8) . ?
N11 C119 1.362(8) . ?
N12 N13 1.329(8) . ?
N13 C120 1.358(9) . ?
N5 H5 0.8800 . ?
N5 C7 1.357(11) . ?
N5 N6 1.332(8) . ?
C126 H126 0.9500 . ?
C126 C121 1.356(8) . ?
C126 C125 1.402(8) . ?
N9 N10 1.320(9) . ?
N9 N8 1.328(8) . ?
C39 C40 1.394(10) . ?
C39 C38 1.393(10) . ?
C55 H55 0.9500 . ?
C55 C56 1.383(8) . ?
C55 C60 1.393(9) . ?
C121 C122 1.389(9) . ?
C67 C72 1.393(9) . ?
C67 C68 1.402(10) . ?
C97 C96 1.378(8) . ?
C97 C98 1.394(9) . ?
C77 C76 1.405(9) . ?
C57 H57 0.9500 . ?
C57 C56 1.398(8) . ?
C57 C58 1.366(9) . ?
C53 H53 0.9500 . ?
C53 C54 1.406(8) . ?
C53 C52 1.386(8) . ?
N15 N16 1.313(10) . ?
C112 C111 1.388(9) . ?
C96 H96 0.9500 . ?
C96 C101 1.388(9) . ?
N10 C6 1.346(10) . ?
C109 H109 0.9500 . ?
C109 C110 1.381(10) . ?
C21 C22 1.378(9) . ?
C37 C32 1.407(8) . ?
C37 C36 1.395(8) . ?
C35 H35 0.9500 . ?
C35 C36 1.385(9) . ?
C35 C34 1.378(10) . ?
C120 H120 0.9500 . ?
C120 C119 1.384(9) . ?
C40 H40 0.9500 . ?
C40 C41 1.349(11) . ?
C91 C92 1.390(9) . ?
C91 C90 1.368(10) . ?
N8 C5 1.354(9) . ?
C32 H32 0.9500 . ?
C32 C33 1.396(9) . ?
C44 H44 0.9500 . ?
C44 C49 1.384(9) . ?
C44 C45 1.390(9) . ?
C49 H49 0.9500 . ?
C49 C48 1.388(11) . ?
C36 H36 0.9500 . ?
C14 C9 1.361(10) . ?
C14 C13 1.383(10) . ?
C50 C51 1.402(8) . ?
C51 H51 0.9500 . ?
C51 C52 1.392(9) . ?
C25 C24 1.387(9) . ?
N16 C4 1.343(12) . ?
C74 C73 1.387(9) . ?
C58 H58 0.9500 . ?
C58 C59 1.388(10) . ?
C72 H72 0.9500 . ?
C72 C71 1.400(9) . ?
C114 H114 0.9500 . ?
C114 C113 1.386(9) . ?
C114 C116 1.384(10) . ?
C15 C20 1.390(11) . ?
C15 C16 1.417(10) . ?
C52 H52 0.9500 . ?
C26 H26 0.9500 . ?
C26 C31 1.391(8) . ?
C26 C27 1.395(10) . ?
C60 H60 0.9500 . ?
C60 C59 1.365(10) . ?
C33 H33 0.9500 . ?
C33 C34 1.390(10) . ?
C31 C30 1.410(9) . ?
C99 H99 0.9500 . ?
C99 C98 1.382(9) . ?
C99 C100 1.377(9) . ?
C34 H34 0.9500 . ?
C22 H22 0.9500 . ?
C22 C23 1.396(9) . ?
C101 H101 0.9500 . ?
C101 C100 1.380(10) . ?
C7 C8 1.423(11) . ?
C125 H125 0.9500 . ?
C125 C124 1.370(10) . ?
C84 C85 1.391(10) . ?
C84 C86 1.386(10) . ?
C106 C107 1.404(10) . ?
C106 C102 1.383(10) . ?
N7 C8 1.352(14) . ?
N7 N6 1.316(13) . ?
C107 H107 0.9500 . ?
C107 C105 1.388(11) . ?
C3 C4 1.380(10) . ?
C85 H85 0.9500 . ?
C85 C87 1.354(11) . ?
C6 H6 0.9500 . ?
C6 C5 1.405(9) . ?
C20 H20 0.9500 . ?
C20 C19 1.394(12) . ?
C113 C118 1.397(9) . ?
C79 C78 1.374(10) . ?
C79 C80 1.401(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.403(11) . ?
C76 H76 0.9500 . ?
C76 C75 1.379(11) . ?
C63 H63 0.9500 . ?
C63 C62 1.369(13) . ?
C63 C64 1.377(14) . ?
C98 H98 0.9500 . ?
C92 H92 0.9500 . ?
C92 C93 1.378(9) . ?
C62 H62 0.9500 . ?
C62 C61 1.377(10) . ?
C73 H73 0.9500 . ?
C73 C75 1.368(11) . ?
C45 C46 1.403(9) . ?
C100 H100 0.9500 . ?
C118 H118 0.9500 . ?
C118 C117 1.362(10) . ?
C70 H70 0.9500 . ?
C70 C71 1.380(10) . ?
C70 C69 1.353(10) . ?
C23 H23 0.9500 . ?
C23 C24 1.381(10) . ?
C86 H86 0.9500 . ?
C86 C88 1.390(10) . ?
C38 H38 0.9500 . ?
C38 C43 1.396(10) . ?
C68 H68 0.9500 . ?
C68 C69 1.388(10) . ?
C66 C61 1.411(9) . ?
C66 C65 1.390(10) . ?
C59 H59 0.9500 . ?
C28 H28 0.9500 . ?
C28 C29 1.401(10) . ?
C28 C27 1.391(10) . ?
C102 H102 0.9500 . ?
C102 C103 1.370(11) . ?
C71 H71 0.9500 . ?
C83 H83 0.9500 . ?
C83 C78 1.384(10) . ?
C83 C82 1.385(11) . ?
C24 H24 0.9500 . ?
C88 H88 0.9500 . ?
C88 C89 1.371(13) . ?
C8 H8 0.9500 . ?
C78 H78 0.9500 . ?
C30 H30 0.9500 . ?
C30 C29 1.365(10) . ?
C29 H29 0.9500 . ?
C80 H80 0.9500 . ?
C80 C81 1.399(10) . ?
C81 H81 0.9500 . ?
C81 C82 1.354(12) . ?
C124 H124 0.9500 . ?
C124 C123 1.360(12) . ?
C117 H117 0.9500 . ?
C117 C115 1.382(11) . ?
C116 H116 0.9500 . ?
C116 C115 1.403(12) . ?
C103 H103 0.9500 . ?
C103 C104 1.390(14) . ?
C46 H46 0.9500 . ?
C46 C47 1.369(10) . ?
C61 H61 0.9500 . ?
C4 H4 0.9500 . ?
C69 H69 0.9500 . ?
C48 H48 0.9500 . ?
C48 C47 1.395(12) . ?
C27 H27 0.9500 . ?
C90 H90 0.9500 . ?
C90 C95 1.364(11) . ?
C122 H122 0.9500 . ?
C122 C123 1.407(11) . ?
C87 H87 0.9500 . ?
C87 C89 1.407(13) . ?
C82 H82 0.9500 . ?
C111 H111 0.9500 . ?
C111 C110 1.376(10) . ?
C93 H93 0.9500 . ?
C93 C94 1.359(11) . ?
C43 H43 0.9500 . ?
C43 C42 1.379(14) . ?
C12 H12 0.9500 . ?
C12 C11 1.373(15) . ?
C12 C13 1.381(11) . ?
C41 H41 0.9500 . ?
C41 C42 1.425(15) . ?
C89 H89 0.9500 . ?
C47 H47 0.9500 . ?
C110 H110 0.9500 . ?
C11 H11 0.9500 . ?
C11 C10 1.341(15) . ?
C75 H75 0.9500 . ?
C94 H94 0.9500 . ?
C94 C95 1.389(12) . ?
C16 H16 0.9500 . ?
C16 C17 1.378(12) . ?
C123 H123 0.9500 . ?
C42 H42 0.9500 . ?
C64 H64 0.9500 . ?
C64 C65 1.398(12) . ?
C19 H19 0.9500 . ?
C19 C18 1.412(16) . ?
C65 H65 0.9500 . ?
C105 H105 0.9500 . ?
C105 C104 1.368(14) . ?
C104 H104 0.9500 . ?
C13 H13 0.9500 . ?
C115 H115 0.9500 . ?
C18 H18 0.9500 . ?
C18 C17 1.312(17) . ?
C17 H17 0.9500 . ?
C95 H95 0.9500 . ?
C10 H10 0.9500 . ?

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
Ag2 Ag3 Ag4 55.661(16) . . ?
P4 Ag3 Ag4 139.97(4) . . ?
P4 Ag3 Ag2 96.61(4) . . ?
P4 Ag3 S4 109.42(5) . . ?
P4 Ag3 S1 101.19(5) . . ?
S4 Ag3 Ag4 78.90(4) . . ?
S4 Ag3 Ag2 53.95(3) . . ?
S4 Ag3 S1 126.59(5) . . ?
P3 Ag3 Ag4 95.48(4) . . ?
P3 Ag3 Ag2 144.41(4) . . ?
P3 Ag3 P4 118.44(5) . . ?
P3 Ag3 S4 104.57(5) . . ?
P3 Ag3 S1 97.35(5) . . ?
S1 Ag3 Ag4 50.64(3) . . ?
S1 Ag3 Ag2 80.45(4) . . ?
P8 Ag1 Ag2 100.19(4) . . ?
P8 Ag1 S4 110.63(5) . . ?
P8 Ag1 P2 127.57(5) . . ?
P8 Ag1 S3 103.07(5) . . ?
S4 Ag1 Ag2 54.78(3) . . ?
S4 Ag1 S3 102.81(5) . . ?
P2 Ag1 Ag2 132.00(4) . . ?
P2 Ag1 S4 104.63(5) . . ?
P2 Ag1 S3 105.50(5) . . ?
S3 Ag1 Ag2 52.14(4) . . ?
P5 Ag6 Ag4 94.04(4) . . ?
P5 Ag6 S2 113.96(5) . . ?
P5 Ag6 S1 99.32(5) . . ?
S2 Ag6 Ag4 54.31(4) . . ?
P6 Ag6 Ag4 134.34(4) . . ?
P6 Ag6 P5 131.18(5) . . ?
P6 Ag6 S2 102.39(5) . . ?
P6 Ag6 S1 105.26(5) . . ?
S1 Ag6 Ag4 53.01(4) . . ?
S1 Ag6 S2 100.23(5) . . ?
S2 Ag5 S3 123.70(5) . . ?
P1 Ag5 S2 118.25(5) . . ?
P1 Ag5 P7 119.23(5) . . ?
P1 Ag5 S3 92.05(6) . . ?
P7 Ag5 S2 90.78(5) . . ?
P7 Ag5 S3 115.53(5) . . ?
Ag6 Ag4 Ag3 115.71(2) . . ?
Ag2 Ag4 Ag3 61.506(16) . . ?
Ag2 Ag4 Ag6 125.97(2) . . ?
S2 Ag4 Ag3 158.02(4) . . ?
S2 Ag4 Ag6 61.06(4) . . ?
S2 Ag4 Ag2 101.58(4) . . ?
S1 Ag4 Ag3 57.00(4) . . ?
S1 Ag4 Ag6 59.68(4) . . ?
S1 Ag4 Ag2 87.80(4) . . ?
S1 Ag4 S2 111.79(5) . . ?
N11 Ag4 Ag3 86.84(14) . . ?
N11 Ag4 Ag6 149.65(15) . . ?
N11 Ag4 Ag2 81.85(15) . . ?
N11 Ag4 S2 105.45(15) . . ?
N11 Ag4 S1 142.64(15) . . ?
Ag1 Ag2 Ag3 106.23(2) . . ?
Ag4 Ag2 Ag3 62.833(17) . . ?
Ag4 Ag2 Ag1 127.07(2) . . ?
S4 Ag2 Ag3 54.45(3) . . ?
S4 Ag2 Ag1 55.73(3) . . ?
S4 Ag2 Ag4 83.44(4) . . ?
S3 Ag2 Ag3 165.41(5) . . ?
S3 Ag2 Ag1 60.07(4) . . ?
S3 Ag2 Ag4 119.92(4) . . ?
S3 Ag2 S4 110.98(5) . . ?
N8 Ag2 Ag3 82.98(16) . . ?
N8 Ag2 Ag1 153.27(15) . . ?
N8 Ag2 Ag4 79.58(15) . . ?
N8 Ag2 S4 137.27(16) . . ?
N8 Ag2 S3 111.51(16) . . ?
C121 P8 Ag1 119.0(2) . . ?
C54 P8 Ag1 106.92(18) . . ?
C54 P8 C121 103.9(3) . . ?
C56 P8 Ag1 117.22(19) . . ?
C56 P8 C121 102.4(3) . . ?
C56 P8 C54 106.0(3) . . ?
C39 P4 Ag3 110.6(2) . . ?
C39 P4 C50 104.3(3) . . ?
C50 P4 Ag3 109.55(19) . . ?
C45 P4 Ag3 120.8(2) . . ?
C45 P4 C39 104.6(3) . . ?
C45 P4 C50 105.7(3) . . ?
Ag3 S4 Ag1 133.76(6) . . ?
Ag2 S4 Ag3 71.60(4) . . ?
Ag2 S4 Ag1 69.49(4) . . ?
C119 S4 Ag3 104.99(19) . . ?
C119 S4 Ag1 104.84(19) . . ?
C119 S4 Ag2 99.0(2) . . ?
C21 P5 Ag6 110.81(19) . . ?
C14 P5 Ag6 117.8(2) . . ?
C14 P5 C21 105.8(3) . . ?
C15 P5 Ag6 114.4(2) . . ?
C15 P5 C21 101.6(3) . . ?
C15 P5 C14 104.9(3) . . ?
Ag5 S2 Ag6 142.69(6) . . ?
Ag4 S2 Ag6 64.63(4) . . ?
Ag4 S2 Ag5 98.58(6) . . ?
C3 S2 Ag6 108.4(2) . . ?
C3 S2 Ag5 108.3(2) . . ?
C3 S2 Ag4 106.8(2) . . ?
C37 P3 Ag3 120.0(2) . . ?
C37 P3 C25 105.3(3) . . ?
C37 P3 C31 105.0(3) . . ?
C25 P3 Ag3 111.60(19) . . ?
C31 P3 Ag3 105.6(2) . . ?
C31 P3 C25 108.7(3) . . ?
C77 P1 Ag5 116.46(19) . . ?
C84 P1 Ag5 112.0(2) . . ?
C84 P1 C77 99.9(3) . . ?
C84 P1 C79 104.9(3) . . ?
C79 P1 Ag5 117.2(2) . . ?
C79 P1 C77 104.5(3) . . ?
C97 P7 Ag5 118.28(19) . . ?
C97 P7 C112 102.1(3) . . ?
C112 P7 Ag5 115.00(18) . . ?
C91 P7 Ag5 112.9(2) . . ?
C91 P7 C97 103.0(3) . . ?
C91 P7 C112 103.8(3) . . ?
C67 P2 Ag1 105.81(19) . . ?
C67 P2 C74 104.7(3) . . ?
C74 P2 Ag1 115.7(2) . . ?
C66 P2 Ag1 118.5(2) . . ?
C66 P2 C67 104.8(3) . . ?
C66 P2 C74 105.9(3) . . ?
C108 P6 Ag6 113.8(2) . . ?
C106 P6 Ag6 111.3(2) . . ?
C106 P6 C108 101.7(3) . . ?
C113 P6 Ag6 116.4(2) . . ?
C113 P6 C108 104.4(3) . . ?
C113 P6 C106 108.0(3) . . ?
Ag6 S1 Ag3 138.08(6) . . ?
Ag4 S1 Ag3 72.36(4) . . ?
Ag4 S1 Ag6 67.32(4) . . ?
C5 S1 Ag3 95.3(2) . . ?
C5 S1 Ag6 102.8(2) . . ?
C5 S1 Ag4 100.7(2) . . ?
Ag5 S3 Ag1 134.18(7) . . ?
Ag2 S3 Ag1 67.79(4) . . ?
Ag2 S3 Ag5 88.90(6) . . ?
C7 S3 Ag1 111.5(2) . . ?
C7 S3 Ag5 111.8(2) . . ?
C7 S3 Ag2 102.7(3) . . ?
C112 N20 C108 119.2(5) . . ?
C50 N19 C54 118.9(5) . . ?
C21 N18 C25 118.6(5) . . ?
C77 N17 C74 119.6(5) . . ?
N15 N14 H14 123.7 . . ?
C3 N14 H14 123.7 . . ?
C3 N14 N15 112.5(6) . . ?
N20 C108 P6 112.3(4) . . ?
N20 C108 C109 121.5(5) . . ?
C109 C108 P6 126.1(5) . . ?
N12 N11 Ag4 124.6(4) . . ?
N12 N11 C119 108.6(5) . . ?
C119 N11 Ag4 126.0(4) . . ?
N13 N12 N11 110.8(5) . . ?
N12 N13 C120 106.2(5) . . ?
C7 N5 H5 123.3 . . ?
N6 N5 H5 123.3 . . ?
N6 N5 C7 113.5(8) . . ?
C121 C126 H126 119.8 . . ?
C121 C126 C125 120.3(6) . . ?
C125 C126 H126 119.8 . . ?
N10 N9 N8 110.3(6) . . ?
C40 C39 P4 122.5(5) . . ?
C38 C39 P4 118.4(5) . . ?
C38 C39 C40 119.0(7) . . ?
C56 C55 H55 119.9 . . ?
C56 C55 C60 120.2(6) . . ?
C60 C55 H55 119.9 . . ?
C126 C121 P8 124.2(5) . . ?
C126 C121 C122 119.1(6) . . ?
C122 C121 P8 116.7(5) . . ?
C72 C67 P2 118.8(5) . . ?
C72 C67 C68 119.1(6) . . ?
C68 C67 P2 121.2(5) . . ?
C96 C97 P7 124.3(5) . . ?
C96 C97 C98 118.8(6) . . ?
C98 C97 P7 116.9(4) . . ?
N17 C77 P1 112.4(5) . . ?
N17 C77 C76 122.7(6) . . ?
C76 C77 P1 124.9(5) . . ?
C56 C57 H57 119.9 . . ?
C58 C57 H57 119.9 . . ?
C58 C57 C56 120.1(6) . . ?
C54 C53 H53 121.0 . . ?
C52 C53 H53 121.0 . . ?
C52 C53 C54 117.9(5) . . ?
N16 N15 N14 106.0(6) . . ?
N20 C112 P7 113.6(4) . . ?
N20 C112 C111 122.2(6) . . ?
C111 C112 P7 124.1(5) . . ?
N19 C54 P8 112.1(4) . . ?
N19 C54 C53 122.4(5) . . ?
C53 C54 P8 125.3(4) . . ?
C97 C96 H96 120.0 . . ?
C97 C96 C101 120.0(6) . . ?
C101 C96 H96 120.0 . . ?
N9 N10 C6 107.8(6) . . ?
C108 C109 H109 120.9 . . ?
C110 C109 C108 118.2(6) . . ?
C110 C109 H109 120.9 . . ?
N18 C21 P5 110.1(4) . . ?
N18 C21 C22 123.1(6) . . ?
C22 C21 P5 126.7(5) . . ?
C55 C56 P8 122.0(5) . . ?
C55 C56 C57 119.1(6) . . ?
C57 C56 P8 118.8(4) . . ?
C32 C37 P3 122.1(5) . . ?
C36 C37 P3 118.7(5) . . ?
C36 C37 C32 119.1(6) . . ?
C36 C35 H35 119.5 . . ?
C36 C35 C34 121.0(6) . . ?
C34 C35 H35 119.5 . . ?
N13 C120 H120 125.4 . . ?
N13 C120 C119 109.2(6) . . ?
C119 C120 H120 125.4 . . ?
C39 C40 H40 119.1 . . ?
C41 C40 C39 121.8(8) . . ?
C41 C40 H40 119.1 . . ?
C92 C91 P7 123.4(5) . . ?
C90 C91 P7 118.6(5) . . ?
C90 C91 C92 117.8(6) . . ?
N9 N8 Ag2 121.4(4) . . ?
N9 N8 C5 108.7(6) . . ?
C5 N8 Ag2 126.3(5) . . ?
C37 C32 H32 120.3 . . ?
C33 C32 C37 119.3(6) . . ?
C33 C32 H32 120.3 . . ?
C49 C44 H44 119.7 . . ?
C49 C44 C45 120.7(6) . . ?
C45 C44 H44 119.7 . . ?
C44 C49 H49 120.0 . . ?
C44 C49 C48 120.1(7) . . ?
C48 C49 H49 120.0 . . ?
C37 C36 H36 119.8 . . ?
C35 C36 C37 120.4(6) . . ?
C35 C36 H36 119.8 . . ?
C9 C14 P5 118.1(5) . . ?
C9 C14 C13 119.5(7) . . ?
C13 C14 P5 122.3(6) . . ?
N19 C50 P4 112.2(4) . . ?
N19 C50 C51 122.6(5) . . ?
C51 C50 P4 124.9(4) . . ?
C50 C51 H51 121.1 . . ?
C52 C51 C50 117.8(5) . . ?
C52 C51 H51 121.1 . . ?
N18 C25 P3 113.0(5) . . ?
N18 C25 C24 121.4(6) . . ?
C24 C25 P3 124.6(5) . . ?
N15 N16 C4 109.5(6) . . ?
N17 C74 P2 111.4(4) . . ?
N17 C74 C73 121.7(6) . . ?
C73 C74 P2 126.9(5) . . ?
C57 C58 H58 119.8 . . ?
C57 C58 C59 120.4(6) . . ?
C59 C58 H58 119.8 . . ?
C67 C72 H72 119.7 . . ?
C67 C72 C71 120.6(6) . . ?
C71 C72 H72 119.7 . . ?
C113 C114 H114 119.9 . . ?
C116 C114 H114 119.9 . . ?
C116 C114 C113 120.1(7) . . ?
C20 C15 P5 118.8(6) . . ?
C20 C15 C16 118.2(7) . . ?
C16 C15 P5 123.0(6) . . ?
C53 C52 C51 120.3(6) . . ?
C53 C52 H52 119.9 . . ?
C51 C52 H52 119.9 . . ?
N11 C119 S4 122.7(5) . . ?
N11 C119 C120 105.2(6) . . ?
C120 C119 S4 132.0(5) . . ?
C31 C26 H26 119.6 . . ?
C31 C26 C27 120.8(6) . . ?
C27 C26 H26 119.6 . . ?
C55 C60 H60 120.0 . . ?
C59 C60 C55 120.0(6) . . ?
C59 C60 H60 120.0 . . ?
C32 C33 H33 119.5 . . ?
C34 C33 C32 120.9(6) . . ?
C34 C33 H33 119.5 . . ?
C26 C31 P3 124.7(5) . . ?
C26 C31 C30 117.4(6) . . ?
C30 C31 P3 117.1(4) . . ?
C98 C99 H99 119.9 . . ?
C100 C99 H99 119.9 . . ?
C100 C99 C98 120.1(6) . . ?
C35 C34 H34 120.4 . . ?
C33 C34 C35 119.2(6) . . ?
C33 C34 H34 120.4 . . ?
C21 C22 H22 121.0 . . ?
C21 C22 C23 118.1(6) . . ?
C23 C22 H22 121.0 . . ?
C96 C101 H101 119.5 . . ?
C100 C101 C96 121.0(6) . . ?
C100 C101 H101 119.5 . . ?
N5 C7 S3 128.8(6) . . ?
N5 C7 C8 101.8(7) . . ?
C8 C7 S3 129.2(8) . . ?
C126 C125 H125 119.7 . . ?
C124 C125 C126 120.5(6) . . ?
C124 C125 H125 119.7 . . ?
C85 C84 P1 119.9(6) . . ?
C86 C84 P1 122.5(5) . . ?
C86 C84 C85 117.7(7) . . ?
C107 C106 P6 123.6(6) . . ?
C102 C106 P6 118.0(6) . . ?
C102 C106 C107 118.4(7) . . ?
N6 N7 C8 110.0(7) . . ?
C106 C107 H107 120.0 . . ?
C105 C107 C106 119.9(8) . . ?
C105 C107 H107 120.0 . . ?
N14 C3 S2 128.0(5) . . ?
N14 C3 C4 103.1(6) . . ?
C4 C3 S2 128.8(6) . . ?
C84 C85 H85 119.6 . . ?
C87 C85 C84 120.9(8) . . ?
C87 C85 H85 119.6 . . ?
N10 C6 H6 126.1 . . ?
N10 C6 C5 107.7(6) . . ?
C5 C6 H6 126.1 . . ?
C15 C20 H20 120.3 . . ?
C15 C20 C19 119.3(9) . . ?
C19 C20 H20 120.3 . . ?
C114 C113 P6 124.3(5) . . ?
C118 C113 P6 116.5(5) . . ?
C118 C113 C114 119.0(6) . . ?
C78 C79 P1 117.9(5) . . ?
C78 C79 C80 119.7(6) . . ?
C80 C79 P1 122.3(5) . . ?
C14 C9 H9 120.4 . . ?
C14 C9 C10 119.3(8) . . ?
C10 C9 H9 120.4 . . ?
C77 C76 H76 121.5 . . ?
C75 C76 C77 117.0(7) . . ?
C75 C76 H76 121.5 . . ?
C62 C63 H63 119.7 . . ?
C62 C63 C64 120.6(8) . . ?
C64 C63 H63 119.7 . . ?
C97 C98 H98 119.6 . . ?
C99 C98 C97 120.8(6) . . ?
C99 C98 H98 119.6 . . ?
C91 C92 H92 119.5 . . ?
C93 C92 C91 121.1(6) . . ?
C93 C92 H92 119.5 . . ?
C63 C62 H62 119.9 . . ?
C63 C62 C61 120.2(8) . . ?
C61 C62 H62 119.9 . . ?
C74 C73 H73 120.6 . . ?
C75 C73 C74 118.8(7) . . ?
C75 C73 H73 120.6 . . ?
C44 C45 P4 118.0(5) . . ?
C44 C45 C46 118.8(6) . . ?
C46 C45 P4 123.2(5) . . ?
N8 C5 S1 123.8(5) . . ?
N8 C5 C6 105.3(6) . . ?
C6 C5 S1 130.9(6) . . ?
C99 C100 C101 119.2(6) . . ?
C99 C100 H100 120.4 . . ?
C101 C100 H100 120.4 . . ?
C113 C118 H118 119.5 . . ?
C117 C118 C113 121.0(7) . . ?
C117 C118 H118 119.5 . . ?
C71 C70 H70 119.9 . . ?
C69 C70 H70 119.9 . . ?
C69 C70 C71 120.2(6) . . ?
C22 C23 H23 120.4 . . ?
C24 C23 C22 119.2(6) . . ?
C24 C23 H23 120.4 . . ?
C84 C86 H86 119.2 . . ?
C84 C86 C88 121.6(7) . . ?
C88 C86 H86 119.2 . . ?
C39 C38 H38 119.7 . . ?
C39 C38 C43 120.6(8) . . ?
C43 C38 H38 119.7 . . ?
C67 C68 H68 120.7 . . ?
C69 C68 C67 118.7(7) . . ?
C69 C68 H68 120.7 . . ?
C61 C66 P2 118.4(5) . . ?
C65 C66 P2 124.0(6) . . ?
C65 C66 C61 117.6(7) . . ?
C58 C59 H59 120.0 . . ?
C60 C59 C58 120.1(6) . . ?
C60 C59 H59 120.0 . . ?
C29 C28 H28 121.0 . . ?
C27 C28 H28 121.0 . . ?
C27 C28 C29 118.0(7) . . ?
C106 C102 H102 119.6 . . ?
C103 C102 C106 120.8(8) . . ?
C103 C102 H102 119.6 . . ?
C72 C71 H71 120.4 . . ?
C70 C71 C72 119.2(6) . . ?
C70 C71 H71 120.4 . . ?
C78 C83 H83 120.5 . . ?
C78 C83 C82 119.1(7) . . ?
C82 C83 H83 120.5 . . ?
C25 C24 H24 120.2 . . ?
C23 C24 C25 119.5(6) . . ?
C23 C24 H24 120.2 . . ?
C86 C88 H88 119.9 . . ?
C89 C88 C86 120.3(8) . . ?
C89 C88 H88 119.9 . . ?
C7 C8 H8 125.9 . . ?
N7 C8 C7 108.1(9) . . ?
N7 C8 H8 125.9 . . ?
N7 N6 N5 106.5(8) . . ?
C79 C78 C83 120.8(7) . . ?
C79 C78 H78 119.6 . . ?
C83 C78 H78 119.6 . . ?
C31 C30 H30 119.1 . . ?
C29 C30 C31 121.8(6) . . ?
C29 C30 H30 119.1 . . ?
C28 C29 H29 119.6 . . ?
C30 C29 C28 120.9(6) . . ?
C30 C29 H29 119.6 . . ?
C79 C80 H80 120.5 . . ?
C79 C80 C81 119.0(7) . . ?
C81 C80 H80 120.5 . . ?
C80 C81 H81 119.9 . . ?
C82 C81 C80 120.2(7) . . ?
C82 C81 H81 119.9 . . ?
C125 C124 H124 120.0 . . ?
C123 C124 C125 120.0(7) . . ?
C123 C124 H124 120.0 . . ?
C118 C117 H117 119.7 . . ?
C118 C117 C115 120.7(8) . . ?
C115 C117 H117 119.7 . . ?
C114 C116 H116 119.9 . . ?
C114 C116 C115 120.2(7) . . ?
C115 C116 H116 119.9 . . ?
C102 C103 H103 119.5 . . ?
C102 C103 C104 121.0(8) . . ?
C104 C103 H103 119.5 . . ?
C45 C46 H46 119.8 . . ?
C47 C46 C45 120.4(7) . . ?
C47 C46 H46 119.8 . . ?
C62 C61 C66 121.1(7) . . ?
C62 C61 H61 119.5 . . ?
C66 C61 H61 119.5 . . ?
N16 C4 C3 108.9(7) . . ?
N16 C4 H4 125.5 . . ?
C3 C4 H4 125.5 . . ?
C70 C69 C68 122.2(7) . . ?
C70 C69 H69 118.9 . . ?
C68 C69 H69 118.9 . . ?
C49 C48 H48 120.3 . . ?
C49 C48 C47 119.4(7) . . ?
C47 C48 H48 120.3 . . ?
C26 C27 H27 119.4 . . ?
C28 C27 C26 121.1(6) . . ?
C28 C27 H27 119.4 . . ?
C91 C90 H90 119.5 . . ?
C95 C90 C91 121.0(8) . . ?
C95 C90 H90 119.5 . . ?
C121 C122 H122 119.8 . . ?
C121 C122 C123 120.4(7) . . ?
C123 C122 H122 119.8 . . ?
C85 C87 H87 119.2 . . ?
C85 C87 C89 121.7(8) . . ?
C89 C87 H87 119.2 . . ?
C83 C82 H82 119.4 . . ?
C81 C82 C83 121.2(7) . . ?
C81 C82 H82 119.4 . . ?
C112 C111 H111 120.6 . . ?
C110 C111 C112 118.9(6) . . ?
C110 C111 H111 120.6 . . ?
C92 C93 H93 119.7 . . ?
C94 C93 C92 120.6(7) . . ?
C94 C93 H93 119.7 . . ?
C38 C43 H43 120.6 . . ?
C42 C43 C38 118.8(8) . . ?
C42 C43 H43 120.6 . . ?
C11 C12 H12 119.9 . . ?
C11 C12 C13 120.2(9) . . ?
C13 C12 H12 119.9 . . ?
C40 C41 H41 120.6 . . ?
C40 C41 C42 118.8(8) . . ?
C42 C41 H41 120.6 . . ?
C88 C89 C87 117.9(7) . . ?
C88 C89 H89 121.1 . . ?
C87 C89 H89 121.1 . . ?
C46 C47 C48 120.5(7) . . ?
C46 C47 H47 119.8 . . ?
C48 C47 H47 119.8 . . ?
C109 C110 H110 120.0 . . ?
C111 C110 C109 120.0(7) . . ?
C111 C110 H110 120.0 . . ?
C12 C11 H11 120.3 . . ?
C10 C11 C12 119.5(8) . . ?
C10 C11 H11 120.3 . . ?
C76 C75 H75 119.9 . . ?
C73 C75 C76 120.2(7) . . ?
C73 C75 H75 119.9 . . ?
C93 C94 H94 120.9 . . ?
C93 C94 C95 118.2(7) . . ?
C95 C94 H94 120.9 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 120.0(9) . . ?
C17 C16 H16 120.0 . . ?
C124 C123 C122 119.6(7) . . ?
C124 C123 H123 120.2 . . ?
C122 C123 H123 120.2 . . ?
C43 C42 C41 120.9(7) . . ?
C43 C42 H42 119.6 . . ?
C41 C42 H42 119.6 . . ?
C63 C64 H64 120.2 . . ?
C65 C64 C63 119.6(8) . . ?
C65 C64 H64 120.2 . . ?
C20 C19 H19 119.7 . . ?
C20 C19 C18 120.7(10) . . ?
C18 C19 H19 119.7 . . ?
C66 C65 C64 120.9(8) . . ?
C66 C65 H65 119.6 . . ?
C64 C65 H65 119.6 . . ?
C107 C105 H105 119.5 . . ?
C104 C105 C107 121.1(8) . . ?
C104 C105 H105 119.5 . . ?
C103 C104 H104 120.6 . . ?
C105 C104 C103 118.8(8) . . ?
C105 C104 H104 120.6 . . ?
C14 C13 C12 120.1(8) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C117 C115 C116 119.0(7) . . ?
C117 C115 H115 120.5 . . ?
C116 C115 H115 120.5 . . ?
C19 C18 H18 120.4 . . ?
C17 C18 C19 119.2(9) . . ?
C17 C18 H18 120.4 . . ?
C16 C17 H17 118.7 . . ?
C18 C17 C16 122.5(10) . . ?
C18 C17 H17 118.7 . . ?
C90 C95 C94 121.2(8) . . ?
C90 C95 H95 119.4 . . ?
C94 C95 H95 119.4 . . ?
C9 C10 H10 119.3 . . ?
C11 C10 C9 121.4(9) . . ?
C11 C10 H10 119.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag3 P4 C39 C40 -119.5(5) . . . . ?
Ag3 P4 C39 C38 56.3(6) . . . . ?
Ag3 P4 C50 N19 -56.9(4) . . . . ?
Ag3 P4 C50 C51 117.4(5) . . . . ?
Ag3 P4 C45 C44 7.2(6) . . . . ?
Ag3 P4 C45 C46 -172.5(5) . . . . ?
Ag3 S4 C119 N11 43.5(5) . . . . ?
Ag3 S4 C119 C120 -138.4(6) . . . . ?
Ag3 P3 C37 C32 165.4(5) . . . . ?
Ag3 P3 C37 C36 -13.1(6) . . . . ?
Ag3 P3 C25 N18 -58.4(4) . . . . ?
Ag3 P3 C25 C24 109.9(5) . . . . ?
Ag3 P3 C31 C26 89.8(6) . . . . ?
Ag3 P3 C31 C30 -79.7(5) . . . . ?
Ag3 S1 C5 N8 54.4(5) . . . . ?
Ag3 S1 C5 C6 -125.7(6) . . . . ?
Ag1 P8 C121 C126 -122.4(5) . . . . ?
Ag1 P8 C121 C122 57.7(6) . . . . ?
Ag1 P8 C54 N19 58.3(4) . . . . ?
Ag1 P8 C54 C53 -117.1(5) . . . . ?
Ag1 P8 C56 C55 172.1(4) . . . . ?
Ag1 P8 C56 C57 -5.3(5) . . . . ?
Ag1 S4 C119 N11 -100.7(5) . . . . ?
Ag1 S4 C119 C120 77.4(7) . . . . ?
Ag1 P2 C67 C72 84.6(5) . . . . ?
Ag1 P2 C67 C68 -84.5(5) . . . . ?
Ag1 P2 C74 N17 36.6(5) . . . . ?
Ag1 P2 C74 C73 -141.9(6) . . . . ?
Ag1 P2 C66 C61 13.7(6) . . . . ?
Ag1 P2 C66 C65 -168.0(5) . . . . ?
Ag1 S3 C7 N5 -99.5(6) . . . . ?
Ag1 S3 C7 C8 85.2(7) . . . . ?
Ag6 P5 C21 N18 61.6(4) . . . . ?
Ag6 P5 C21 C22 -115.1(5) . . . . ?
Ag6 P5 C14 C9 7.4(7) . . . . ?
Ag6 P5 C14 C13 -171.7(6) . . . . ?
Ag6 P5 C15 C20 23.7(6) . . . . ?
Ag6 P5 C15 C16 -153.8(5) . . . . ?
Ag6 S2 C3 N14 -94.5(6) . . . . ?
Ag6 S2 C3 C4 87.1(7) . . . . ?
Ag6 P6 C108 N20 45.5(5) . . . . ?
Ag6 P6 C108 C109 -130.7(5) . . . . ?
Ag6 P6 C106 C107 120.5(5) . . . . ?
Ag6 P6 C106 C102 -58.6(5) . . . . ?
Ag6 P6 C113 C114 -170.2(5) . . . . ?
Ag6 P6 C113 C118 15.2(6) . . . . ?
Ag6 S1 C5 N8 -87.5(5) . . . . ?
Ag6 S1 C5 C6 92.4(6) . . . . ?
Ag5 S2 C3 N14 79.0(6) . . . . ?
Ag5 S2 C3 C4 -99.4(7) . . . . ?
Ag5 P1 C77 N17 -53.5(5) . . . . ?
Ag5 P1 C77 C76 126.3(6) . . . . ?
Ag5 P1 C84 C85 -9.9(6) . . . . ?
Ag5 P1 C84 C86 169.1(6) . . . . ?
Ag5 P1 C79 C78 -63.2(6) . . . . ?
Ag5 P1 C79 C80 112.4(5) . . . . ?
Ag5 P7 C97 C96 144.2(5) . . . . ?
Ag5 P7 C97 C98 -37.2(6) . . . . ?
Ag5 P7 C112 N20 -59.4(5) . . . . ?
Ag5 P7 C112 C111 116.9(5) . . . . ?
Ag5 P7 C91 C92 145.8(5) . . . . ?
Ag5 P7 C91 C90 -40.0(7) . . . . ?
Ag5 S3 C7 N5 65.3(7) . . . . ?
Ag5 S3 C7 C8 -109.9(6) . . . . ?
Ag4 S2 C3 N14 -26.3(6) . . . . ?
Ag4 S2 C3 C4 155.3(6) . . . . ?
Ag4 S1 C5 N8 -18.6(6) . . . . ?
Ag4 S1 C5 C6 161.3(6) . . . . ?
Ag4 N11 N12 N13 -169.9(4) . . . . ?
Ag4 N11 C119 S4 -12.1(8) . . . . ?
Ag4 N11 C119 C120 169.4(5) . . . . ?
Ag2 S4 C119 N11 -29.7(5) . . . . ?
Ag2 S4 C119 C120 148.4(6) . . . . ?
Ag2 S3 C7 N5 -28.7(7) . . . . ?
Ag2 S3 C7 C8 156.1(6) . . . . ?
Ag2 N8 C5 S1 -21.9(8) . . . . ?
Ag2 N8 C5 C6 158.2(5) . . . . ?
P8 C121 C122 C123 177.0(8) . . . . ?
P4 C39 C40 C41 177.3(6) . . . . ?
P4 C39 C38 C43 -179.4(6) . . . . ?
P4 C50 C51 C52 -175.5(4) . . . . ?
P4 C45 C46 C47 -179.1(6) . . . . ?
P5 C21 C22 C23 177.2(5) . . . . ?
P5 C14 C9 C10 -177.2(8) . . . . ?
P5 C14 C13 C12 176.0(8) . . . . ?
P5 C15 C20 C19 -179.4(6) . . . . ?
P5 C15 C16 C17 178.3(6) . . . . ?
S2 C3 C4 N16 178.9(6) . . . . ?
P3 C37 C32 C33 -177.2(5) . . . . ?
P3 C37 C36 C35 178.6(5) . . . . ?
P3 C25 C24 C23 -168.9(5) . . . . ?
P3 C31 C30 C29 169.8(6) . . . . ?
P1 C77 C76 C75 178.8(6) . . . . ?
P1 C84 C85 C87 179.2(6) . . . . ?
P1 C84 C86 C88 -179.2(6) . . . . ?
P1 C79 C78 C83 177.5(7) . . . . ?
P1 C79 C80 C81 -177.3(6) . . . . ?
P7 C97 C96 C101 179.3(5) . . . . ?
P7 C97 C98 C99 -178.7(6) . . . . ?
P7 C112 C111 C110 -177.9(6) . . . . ?
P7 C91 C92 C93 175.7(6) . . . . ?
P7 C91 C90 C95 -176.5(8) . . . . ?
P2 C67 C72 C71 -168.1(5) . . . . ?
P2 C67 C68 C69 169.3(6) . . . . ?
P2 C74 C73 C75 -179.3(6) . . . . ?
P2 C66 C61 C62 178.3(6) . . . . ?
P2 C66 C65 C64 -177.0(7) . . . . ?
P6 C108 C109 C110 176.8(6) . . . . ?
P6 C106 C107 C105 179.5(6) . . . . ?
P6 C106 C102 C103 -179.5(6) . . . . ?
P6 C113 C118 C117 175.7(6) . . . . ?
S3 C7 C8 N7 179.1(5) . . . . ?
N20 C108 C109 C110 1.0(11) . . . . ?
N20 C112 C111 C110 -1.9(10) . . . . ?
N19 C50 C51 C52 -1.8(9) . . . . ?
N18 C21 C22 C23 1.0(10) . . . . ?
N18 C25 C24 C23 -1.5(10) . . . . ?
N17 C77 C76 C75 -1.4(11) . . . . ?
N17 C74 C73 C75 2.4(11) . . . . ?
N14 N15 N16 C4 -0.3(9) . . . . ?
N14 C3 C4 N16 0.2(9) . . . . ?
C108 P6 C106 C107 -117.9(6) . . . . ?
C108 P6 C106 C102 63.0(6) . . . . ?
C108 P6 C113 C114 63.4(6) . . . . ?
C108 P6 C113 C118 -111.1(5) . . . . ?
C108 N20 C112 P7 178.3(4) . . . . ?
C108 N20 C112 C111 2.0(9) . . . . ?
C108 C109 C110 C111 -0.9(12) . . . . ?
N11 N12 N13 C120 0.0(8) . . . . ?
N12 N11 C119 S4 177.5(4) . . . . ?
N12 N11 C119 C120 -1.0(7) . . . . ?
N12 N13 C120 C119 -0.7(8) . . . . ?
N13 C120 C119 S4 -177.3(5) . . . . ?
N13 C120 C119 N11 1.1(8) . . . . ?
N5 C7 C8 N7 2.9(8) . . . . ?
C126 C121 C122 C123 -2.8(13) . . . . ?
C126 C125 C124 C123 0.4(12) . . . . ?
N9 N10 C6 C5 -0.9(8) . . . . ?
N9 N8 C5 S1 179.4(4) . . . . ?
N9 N8 C5 C6 -0.5(7) . . . . ?
C39 P4 C50 N19 61.5(5) . . . . ?
C39 P4 C50 C51 -124.2(5) . . . . ?
C39 P4 C45 C44 -118.1(5) . . . . ?
C39 P4 C45 C46 62.2(7) . . . . ?
C39 C40 C41 C42 0.2(11) . . . . ?
C39 C38 C43 C42 3.7(13) . . . . ?
C55 C60 C59 C58 -2.7(10) . . . . ?
C121 P8 C54 N19 -68.4(5) . . . . ?
C121 P8 C54 C53 116.2(5) . . . . ?
C121 P8 C56 C55 -55.7(6) . . . . ?
C121 P8 C56 C57 126.9(5) . . . . ?
C121 C126 C125 C124 1.0(10) . . . . ?
C121 C122 C123 C124 4.2(16) . . . . ?
C67 P2 C74 N17 -79.4(5) . . . . ?
C67 P2 C74 C73 102.1(7) . . . . ?
C67 P2 C66 C61 131.3(5) . . . . ?
C67 P2 C66 C65 -50.3(7) . . . . ?
C67 C72 C71 C70 -1.6(10) . . . . ?
C67 C68 C69 C70 -1.4(12) . . . . ?
C97 P7 C112 N20 171.2(4) . . . . ?
C97 P7 C112 C111 -12.6(6) . . . . ?
C97 P7 C91 C92 -85.5(6) . . . . ?
C97 P7 C91 C90 88.6(6) . . . . ?
C97 C96 C101 C100 -0.6(10) . . . . ?
C77 P1 C84 C85 -133.9(6) . . . . ?
C77 P1 C84 C86 45.2(7) . . . . ?
C77 P1 C79 C78 67.4(6) . . . . ?
C77 P1 C79 C80 -117.0(6) . . . . ?
C77 N17 C74 P2 178.5(4) . . . . ?
C77 N17 C74 C73 -2.9(9) . . . . ?
C77 C76 C75 C73 0.8(13) . . . . ?
C57 C58 C59 C60 3.8(10) . . . . ?
N15 N14 C3 S2 -179.1(5) . . . . ?
N15 N14 C3 C4 -0.4(8) . . . . ?
N15 N16 C4 C3 0.1(10) . . . . ?
C112 P7 C97 C96 -88.5(6) . . . . ?
C112 P7 C97 C98 90.1(5) . . . . ?
C112 P7 C91 C92 20.7(6) . . . . ?
C112 P7 C91 C90 -165.2(6) . . . . ?
C112 N20 C108 P6 -177.8(4) . . . . ?
C112 N20 C108 C109 -1.5(9) . . . . ?
C112 C111 C110 C109 1.4(12) . . . . ?
C54 P8 C121 C126 -3.8(6) . . . . ?
C54 P8 C121 C122 176.4(6) . . . . ?
C54 P8 C56 C55 52.9(6) . . . . ?
C54 P8 C56 C57 -124.5(5) . . . . ?
C54 N19 C50 P4 176.3(4) . . . . ?
C54 N19 C50 C51 1.8(8) . . . . ?
C54 C53 C52 C51 0.7(9) . . . . ?
C96 C97 C98 C99 0.0(10) . . . . ?
C96 C101 C100 C99 -0.3(10) . . . . ?
N10 N9 N8 Ag2 -159.9(4) . . . . ?
N10 N9 N8 C5 0.0(7) . . . . ?
N10 C6 C5 S1 -179.1(5) . . . . ?
N10 C6 C5 N8 0.8(8) . . . . ?
C21 P5 C14 C9 -117.1(6) . . . . ?
C21 P5 C14 C13 63.8(7) . . . . ?
C21 P5 C15 C20 143.1(5) . . . . ?
C21 P5 C15 C16 -34.3(6) . . . . ?
C21 N18 C25 P3 171.3(4) . . . . ?
C21 N18 C25 C24 2.6(8) . . . . ?
C21 C22 C23 C24 0.2(11) . . . . ?
C56 P8 C121 C126 106.4(6) . . . . ?
C56 P8 C121 C122 -73.4(6) . . . . ?
C56 P8 C54 N19 -175.9(4) . . . . ?
C56 P8 C54 C53 8.7(6) . . . . ?
C56 C55 C60 C59 0.0(10) . . . . ?
C56 C57 C58 C59 -2.1(10) . . . . ?
C37 P3 C25 N18 169.8(4) . . . . ?
C37 P3 C25 C24 -21.9(6) . . . . ?
C37 P3 C31 C26 -142.4(6) . . . . ?
C37 P3 C31 C30 48.1(6) . . . . ?
C37 C32 C33 C34 -1.7(10) . . . . ?
C40 C39 C38 C43 -3.5(11) . . . . ?
C40 C41 C42 C43 0.1(12) . . . . ?
C91 P7 C97 C96 18.9(6) . . . . ?
C91 P7 C97 C98 -162.4(5) . . . . ?
C91 P7 C112 N20 64.4(5) . . . . ?
C91 P7 C112 C111 -119.4(6) . . . . ?
C91 C92 C93 C94 -2.0(12) . . . . ?
C91 C90 C95 C94 3.1(17) . . . . ?
N8 N9 N10 C6 0.6(8) . . . . ?
C32 C37 C36 C35 0.1(10) . . . . ?
C32 C33 C34 C35 0.8(10) . . . . ?
C44 C49 C48 C47 -2.8(13) . . . . ?
C44 C45 C46 C47 1.2(11) . . . . ?
C49 C44 C45 P4 -179.9(6) . . . . ?
C49 C44 C45 C46 -0.2(11) . . . . ?
C49 C48 C47 C46 3.8(13) . . . . ?
C36 C37 C32 C33 1.3(10) . . . . ?
C36 C35 C34 C33 0.6(10) . . . . ?
C14 P5 C21 N18 -169.7(4) . . . . ?
C14 P5 C21 C22 13.6(6) . . . . ?
C14 P5 C15 C20 -106.9(6) . . . . ?
C14 P5 C15 C16 75.7(6) . . . . ?
C14 C9 C10 C11 0.2(16) . . . . ?
C50 P4 C39 C40 122.8(5) . . . . ?
C50 P4 C39 C38 -61.4(6) . . . . ?
C50 P4 C45 C44 132.1(5) . . . . ?
C50 P4 C45 C46 -47.6(7) . . . . ?
C50 N19 C54 P8 -176.1(4) . . . . ?
C50 N19 C54 C53 -0.5(8) . . . . ?
C50 C51 C52 C53 0.5(9) . . . . ?
C25 P3 C37 C32 -67.8(6) . . . . ?
C25 P3 C37 C36 113.7(5) . . . . ?
C25 P3 C31 C26 -30.1(6) . . . . ?
C25 P3 C31 C30 160.4(5) . . . . ?
C25 N18 C21 P5 -179.1(4) . . . . ?
C25 N18 C21 C22 -2.3(9) . . . . ?
C74 P2 C67 C72 -152.7(5) . . . . ?
C74 P2 C67 C68 38.2(6) . . . . ?
C74 P2 C66 C61 -118.3(5) . . . . ?
C74 P2 C66 C65 60.0(7) . . . . ?
C74 N17 C77 P1 -177.7(4) . . . . ?
C74 N17 C77 C76 2.4(9) . . . . ?
C74 C73 C75 C76 -1.4(13) . . . . ?
C58 C57 C56 P8 176.8(5) . . . . ?
C58 C57 C56 C55 -0.6(9) . . . . ?
C72 C67 C68 C69 0.2(10) . . . . ?
C114 C113 C118 C117 0.8(11) . . . . ?
C114 C116 C115 C117 -3.4(12) . . . . ?
C15 P5 C21 N18 -60.4(5) . . . . ?
C15 P5 C21 C22 122.9(6) . . . . ?
C15 P5 C14 C9 135.9(6) . . . . ?
C15 P5 C14 C13 -43.1(8) . . . . ?
C15 C20 C19 C18 1.5(12) . . . . ?
C15 C16 C17 C18 0.7(12) . . . . ?
C52 C53 C54 P8 174.2(4) . . . . ?
C52 C53 C54 N19 -0.7(9) . . . . ?
C119 N11 N12 N13 0.6(7) . . . . ?
C26 C31 C30 C29 -0.5(10) . . . . ?
C60 C55 C56 P8 -175.7(5) . . . . ?
C60 C55 C56 C57 1.7(9) . . . . ?
C31 P3 C37 C32 46.9(6) . . . . ?
C31 P3 C37 C36 -131.6(5) . . . . ?
C31 P3 C25 N18 57.7(5) . . . . ?
C31 P3 C25 C24 -134.0(5) . . . . ?
C31 C26 C27 C28 -1.3(11) . . . . ?
C31 C30 C29 C28 0.5(12) . . . . ?
C34 C35 C36 C37 -1.0(10) . . . . ?
C22 C23 C24 C25 0.1(11) . . . . ?
C7 N5 N6 N7 1.4(8) . . . . ?
C125 C126 C121 P8 -179.6(5) . . . . ?
C125 C126 C121 C122 0.2(10) . . . . ?
C125 C124 C123 C122 -2.9(15) . . . . ?
C84 P1 C77 N17 67.3(5) . . . . ?
C84 P1 C77 C76 -112.9(6) . . . . ?
C84 P1 C79 C78 172.0(6) . . . . ?
C84 P1 C79 C80 -12.4(7) . . . . ?
C84 C85 C87 C89 -0.8(13) . . . . ?
C84 C86 C88 C89 1.0(13) . . . . ?
C106 P6 C108 N20 -74.3(5) . . . . ?
C106 P6 C108 C109 109.6(6) . . . . ?
C106 P6 C113 C114 -44.2(6) . . . . ?
C106 P6 C113 C118 141.2(5) . . . . ?
C106 C107 C105 C104 -0.1(12) . . . . ?
C106 C102 C103 C104 0.1(13) . . . . ?
C107 C106 C102 C103 1.4(11) . . . . ?
C107 C105 C104 C103 1.5(13) . . . . ?
C3 N14 N15 N16 0.5(8) . . . . ?
C85 C84 C86 C88 -0.2(12) . . . . ?
C85 C87 C89 C88 1.5(13) . . . . ?
C20 C15 C16 C17 0.8(10) . . . . ?
C20 C19 C18 C17 0.0(14) . . . . ?
C113 P6 C108 N20 173.4(4) . . . . ?
C113 P6 C108 C109 -2.8(7) . . . . ?
C113 P6 C106 C107 -8.4(6) . . . . ?
C113 P6 C106 C102 172.5(5) . . . . ?
C113 C114 C116 C115 2.2(11) . . . . ?
C113 C118 C117 C115 -2.0(12) . . . . ?
C79 P1 C77 N17 175.6(4) . . . . ?
C79 P1 C77 C76 -4.6(7) . . . . ?
C79 P1 C84 C85 118.2(6) . . . . ?
C79 P1 C84 C86 -62.8(7) . . . . ?
C79 C80 C81 C82 1.4(12) . . . . ?
C9 C14 C13 C12 -3.0(14) . . . . ?
C63 C62 C61 C66 0.6(11) . . . . ?
C63 C64 C65 C66 -3.1(13) . . . . ?
C98 C97 C96 C101 0.7(9) . . . . ?
C98 C99 C100 C101 1.0(11) . . . . ?
C92 C91 C90 C95 -2.1(13) . . . . ?
C92 C93 C94 C95 2.9(14) . . . . ?
C62 C63 C64 C65 3.5(14) . . . . ?
C45 P4 C39 C40 12.0(6) . . . . ?
C45 P4 C39 C38 -172.2(5) . . . . ?
C45 P4 C50 N19 171.5(4) . . . . ?
C45 P4 C50 C51 -14.2(6) . . . . ?
C45 C44 C49 C48 1.0(12) . . . . ?
C45 C46 C47 C48 -3.0(12) . . . . ?
C100 C99 C98 C97 -0.9(12) . . . . ?
C118 C117 C115 C116 3.3(13) . . . . ?
C86 C84 C85 C87 0.1(12) . . . . ?
C86 C88 C89 C87 -1.6(13) . . . . ?
C38 C39 C40 C41 1.5(10) . . . . ?
C38 C43 C42 C41 -2.0(13) . . . . ?
C68 C67 C72 C71 1.3(9) . . . . ?
C66 P2 C67 C72 -41.4(6) . . . . ?
C66 P2 C67 C68 149.4(5) . . . . ?
C66 P2 C74 N17 170.2(4) . . . . ?
C66 P2 C74 C73 -8.3(7) . . . . ?
C102 C106 C107 C105 -1.4(10) . . . . ?
C102 C103 C104 C105 -1.5(13) . . . . ?
C71 C70 C69 C68 1.2(12) . . . . ?
C8 N7 N6 N5 0.6(9) . . . . ?
N6 N5 C7 S3 -178.9(5) . . . . ?
N6 N5 C7 C8 -2.6(8) . . . . ?
N6 N7 C8 C7 -2.3(9) . . . . ?
C78 C79 C80 C81 -1.8(11) . . . . ?
C78 C83 C82 C81 0.8(14) . . . . ?
C29 C28 C27 C26 1.2(12) . . . . ?
C80 C79 C78 C83 1.7(12) . . . . ?
C80 C81 C82 C83 -0.9(13) . . . . ?
C116 C114 C113 P6 -175.3(6) . . . . ?
C116 C114 C113 C118 -0.9(10) . . . . ?
C61 C66 C65 C64 1.4(11) . . . . ?
C69 C70 C71 C72 0.3(11) . . . . ?
C27 C26 C31 P3 -168.5(5) . . . . ?
C27 C26 C31 C30 0.9(10) . . . . ?
C27 C28 C29 C30 -0.8(12) . . . . ?
C90 C91 C92 C93 1.6(11) . . . . ?
C82 C83 C78 C79 -1.2(13) . . . . ?
C93 C94 C95 C90 -3.4(17) . . . . ?
C12 C11 C10 C9 -1.3(17) . . . . ?
C11 C12 C13 C14 2.0(16) . . . . ?
C16 C15 C20 C19 -1.9(10) . . . . ?
C64 C63 C62 C61 -2.3(13) . . . . ?
C19 C18 C17 C16 -1.1(14) . . . . ?
C65 C66 C61 C62 -0.1(10) . . . . ?
C13 C14 C9 C10 1.9(13) . . . . ?
C13 C12 C11 C10 0.1(17) . . . . ?

_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 -0.869 -0.481 -0.337 3608.3 813.9 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.650
_oxdiff_exptl_absorpt_empirical_full_min 0.746
####################################################################### 
# 
# 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_Ag6-S
_database_code_depnum_ccdc_archive 'CCDC 2211324'
loop_
_audit_author_name
_audit_author_address
'shuaibo wang'
;zhengzhou University
China
;
_audit_update_record             
;
2023-02-06 deposited with the CCDC.	2023-07-04 downloaded from the CCDC.
;
_audit_creation_date             2023-02-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C124 H98 Ag6 N16 P8 S4'
_chemical_formula_sum            'C124 H98 Ag6 N16 P8 S4'
_chemical_formula_weight         2835.40
_chemical_absolute_configuration syn
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   24.01420(10)
_cell_length_b                   24.14150(10)
_cell_length_c                   24.1607(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     14006.90(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    128369
_cell_measurement_temperature    150
_cell_measurement_theta_max      73.4940
_cell_measurement_theta_min      2.6050
_shelx_estimated_absorpt_T_max   0.553
_shelx_estimated_absorpt_T_min   0.432
_exptl_absorpt_coefficient_mu    8.399
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.08262
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'yellowish yellow'
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5680
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1031
_diffrn_reflns_av_unetI/netI     0.0409
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            339360
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.775
_diffrn_reflns_theta_min         2.587
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -85.00  55.00   0.50    0.50    --    0.00 -17.00 -83.09  280
  2  ω    -85.00  -7.00   0.50    0.50    --    0.00 -57.00 120.00  156
  3  ω    -21.00   6.00   0.50    0.50    --    0.00  38.00   0.00   54
  4  ω    -86.00  29.00   0.50    0.50    --    0.00 -57.00-180.00  230
  5  ω    -37.00  37.00   0.50    0.50    --    0.00  82.00  30.00  148
  6  ω    -83.00 -40.00   0.50    0.50    --    0.00 -38.00 -90.00   86
  7  ω     50.00  87.00   0.50    0.50    --    0.00  82.00  30.00   74
  8  ω     32.00  72.00   0.50    0.50    --    0.00  38.00   0.00   80
  9  ω      1.00  28.00   0.50    0.50    --    0.00 -57.00 120.00   54
 10  ω     15.00  45.00   0.50    0.50    --    0.00  19.00-150.00   60
 11  ω    -89.00 -64.00   0.50    0.50    --    0.00 -57.00 -90.00   50
 12  ω     29.00  83.00   0.50    0.50    --    0.00  38.00-150.00  108
 13  ω    -40.00  25.00   0.50    0.50    --    0.00 -57.00 -90.00  130
 14  ω    -27.00  29.00   0.50    0.50    --    0.00 -38.00 -90.00  112
 15  ω    -43.00   0.00   0.50    0.50    --    0.00  19.00-150.00   86
 16  ω    -28.00  -3.00   0.50    0.50    --    0.00  38.00-150.00   50
 17  ω    129.00 169.00   0.50    1.50    --   98.80  80.00 -22.41   80
 18  ω     61.00  87.00   0.50    1.50    --   98.80  80.00 -22.41   52
 19  ω    130.00 187.00   0.50    1.50    --   98.80  61.00 133.21  114
 20  ω     98.00 187.00   0.50    1.50    --   98.80  80.00 -80.68  178
 21  ω     61.00  87.00   0.50    1.50    --   98.80  82.00-150.00   52
 22  ω     61.00  90.00   0.50    1.50    --   98.80  80.00 -80.68   58
 23  ω     68.00  99.00   0.50    1.50    --   98.80  61.00 133.21   62
 24  ω     63.00  88.00   0.50    1.50    --   98.80  77.00  90.00   50
 25  ω     61.00  86.00   0.50    1.50    --   98.80  82.00 120.00   50
 26  ω    112.00 188.00   0.50    1.50    --   98.80  82.00 120.00  152
 27  ω    159.00 185.00   0.50    1.50    --   98.80  40.00 149.34   52
 28  ω     63.00  89.00   0.50    1.50    --   98.80  77.00 -90.00   52
 29  ω     61.00  92.00   0.50    1.50    --   98.80  82.00 150.00   62
 30  ω      9.00  70.00   0.50    1.50    --   98.80 -82.00-180.00  122
 31  ω     11.00 136.00   0.50    1.50    --   98.80 -82.00 -90.00  250
 32  ω     82.00 136.00   0.50    1.50    --   98.80 -82.00 120.00  108
 33  ω    150.00 187.00   0.50    1.50    --   98.80  81.00  10.63   74
 34  ω     38.00  77.00   0.50    1.50    --   98.80 -82.00 120.00   78
 35  ω    137.00 163.00   0.50    1.50    --   98.80  82.00  60.00   52
 36  ω     61.00 129.00   0.50    1.50    --   98.80  81.00  10.63  136
 37  ω    139.00 165.00   0.50    1.50    --   98.80  71.00-177.42   52
 38  ω     71.00 188.00   0.50    1.50    --   98.80  45.00  90.00  234
 39  ω     61.00  87.00   0.50    1.50    --   98.80  82.00 -60.00   52
 40  ω     70.00 156.00   0.50    1.50    --   98.80  45.00 120.00  172
 41  ω     63.00  88.00   0.50    1.50    --   98.80  77.00 150.00   50
 42  ω     70.00 187.00   0.50    1.50    --   98.80  45.00-150.00  234
 43  ω     61.00  86.00   0.50    1.50    --   98.80  82.00-120.00   50
 44  ω     61.00  87.00   0.50    1.50    --   98.80  82.00  90.00   52
 45  ω    153.00 186.00   0.50    1.50    --   98.80  82.00  90.00   66
 46  ω     63.00  89.00   0.50    1.50    --   98.80  77.00 120.00   52
 47  ω     63.00  89.00   0.50    1.50    --   98.80  77.00 -30.00   52
 48  ω     61.00  86.00   0.50    1.50    --   98.80  82.00  60.00   50
 49  ω     63.00  88.00   0.50    1.50    --   98.80  77.00  60.00   50
 50  ω     63.00  88.00   0.50    1.50    --   98.80  77.00 -60.00   50
 51  ω     70.00 188.00   0.50    1.50    --   98.80  45.00   0.00  236
 52  ω     63.00  89.00   0.50    1.50    --   98.80  77.00-150.00   52
 53  ω    158.00 188.00   0.50    1.50    --   98.80  77.00-150.00   60
 54  ω     61.00  86.00   0.50    1.50    --   98.80  82.00   0.00   50
 55  ω     63.00  89.00   0.50    1.50    --   98.80  77.00   0.00   52
 56  ω    163.00 188.00   0.50    1.50    --   98.80  77.00-120.00   50
 57  ω     61.00 108.00   0.50    1.50    --   98.80  80.00  35.96   94
 58  ω     63.00  88.00   0.50    1.50    --   98.80  77.00  30.00   50
 59  ω     70.00 156.00   0.50    1.50    --   98.80  55.00 -38.22  172
 60  ω     63.00  88.00   0.50    1.50    --   98.80  77.00-120.00   50
 61  ω    123.00 182.00   0.50    1.50    --   98.80  82.00-180.00  118
 62  ω    133.00 170.00   0.50    1.50    --   98.80  67.00 -85.47   74
 63  ω     68.00  97.00   0.50    1.50    --   98.80  61.00-120.00   58
 64  ω     72.00 168.00   0.50    1.50    --   98.80  45.00  30.00  192
 65  ω     61.00  86.00   0.50    1.50    --   98.80  82.00-180.00   50
 66  ω     85.00 124.00   0.50    1.50    --   98.80 -82.00-180.00   78
 67  ω    158.00 183.00   0.50    1.50    --   98.80  61.00-120.00   50
 68  ω     36.00 132.00   0.50    1.50    --   98.80 -82.00  30.00  192
 69  ω     70.00  96.00   0.50    1.50    --   98.80  45.00-180.00   52
 70  ω     66.00 125.00   0.50    1.50    --   98.80  67.00 -85.47  118
 71  ω     47.00 129.00   0.50    1.50    --   98.80 -82.00 -60.00  164
 72  ω     66.00 132.00   0.50    1.50    --   98.80 -82.00  90.00  132
 73  ω     70.00 182.00   0.50    1.50    --   98.80  52.00-129.33  224
 74  ω     65.00  93.00   0.50    1.50    --   98.80  71.00-177.42   56
 75  ω     69.00 126.00   0.50    1.50    --   98.80  40.00 149.34  114
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0132937000
_diffrn_orient_matrix_UB_12      0.0612577000
_diffrn_orient_matrix_UB_13      -0.0120131000
_diffrn_orient_matrix_UB_21      -0.0626469000
_diffrn_orient_matrix_UB_22      -0.0137079000
_diffrn_orient_matrix_UB_23      -0.0011756000
_diffrn_orient_matrix_UB_31      -0.0037165000
_diffrn_orient_matrix_UB_32      0.0115220000
_diffrn_orient_matrix_UB_33      0.0626057000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.860
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.978
_reflns_number_gt                26285
_reflns_number_total             28183
_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       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.475
_refine_diff_density_min         -1.460
_refine_diff_density_rms         0.114
_refine_ls_abs_structure_details 
;
 Flack x determined using 11327 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.006(2)
_refine_ls_extinction_coef       0.000031(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1424
_refine_ls_number_reflns         28183
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0415
_refine_ls_restrained_S_all      1.029
_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)+(0.0776P)²+16.6043P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1176
_refine_ls_wR_factor_ref         0.1194
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C72(H72), N12(H12), C70(H70), C82(H82), C111(H111), C86(H86), N4(H4),
 C58(H58), C104(H104), C85(H85), C15(H15), C124(H124), C102(H102), C69(H69),
 C89(H89), C62(H62), C18(H18), C47(H47), C16(H16), C88(H88), C67(H67), C87(H87),
  C103(H103), C57(H57), C34(H34), C83(H83), C96(H96), C49(H49), C37(H37),
 C5(H5), C116(H116), C1(H1), C17(H17), C13(H13), C8(H8), C66(H66), C109(H109),
 C29(H29), C10(H10), C94(H94), C36(H36), C22(H22), C73(H73), C4(H4A), C21(H21),
 C120(H120), C107(H107), C93(H93), C78(H78), C12(H12A), C19(H19), C51(H51),
 C84(H84), C9(H9), C77(H77), C53(H53), C68(H68), C121(H121), C92(H92),
 C123(H123), C24(H24), C65(H65), C39(H39), C28(H28), C52(H52), C7(H7), C55(H55),
  C114(H114), C33(H33), C56(H56), C3(H3), C60(H60), C2(H2), C46(H46), C23(H23),
 C118(H118), C31(H31), C40(H40), C99(H99), C43(H43), C50(H50), C25(H25),
 C63(H63), C100(H100), C80(H80), C75(H75), C108(H108), C122(H122), C41(H41),
 C64(H64), C79(H79), C45(H45), C32(H32), C27(H27), C74(H74), C44(H44), C38(H38),
  C26(H26)
;
_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 0.32529(2) 0.59606(2) 0.55686(2) 0.02787(11) Uani 1 1 d . . . . .
Ag1 Ag 0.52437(2) 0.60822(2) 0.54564(2) 0.02955(11) Uani 1 1 d . . . . .
Ag6 Ag 0.28074(2) 0.39222(2) 0.56524(2) 0.03099(11) Uani 1 1 d . . . . .
Ag5 Ag 0.49727(2) 0.40003(2) 0.56562(2) 0.03261(12) Uani 1 1 d . . . . .
Ag4 Ag 0.35534(3) 0.47619(2) 0.52419(3) 0.04320(15) Uani 1 1 d . . . . .
Ag2 Ag 0.43318(2) 0.53807(3) 0.58782(3) 0.04250(14) Uani 1 1 d . . . . .
P3 P 0.53526(6) 0.67184(7) 0.62364(7) 0.0245(3) Uani 1 1 d . . . . .
S2 S 0.42158(6) 0.61059(7) 0.50970(7) 0.0306(3) Uani 1 1 d . . . . .
P6 P 0.49187(7) 0.33163(7) 0.64403(8) 0.0277(3) Uani 1 1 d . . . . .
P1 P 0.25745(6) 0.61129(6) 0.48235(8) 0.0263(3) Uani 1 1 d . . . . .
P8 P 0.21666(7) 0.39960(7) 0.48654(8) 0.0277(3) Uani 1 1 d . . . . .
P2 P 0.31905(6) 0.65452(7) 0.63979(8) 0.0274(3) Uani 1 1 d . . . . .
S4 S 0.39105(7) 0.37571(8) 0.53471(8) 0.0356(4) Uani 1 1 d . . . . .
P7 P 0.27366(7) 0.34060(7) 0.65194(8) 0.0285(4) Uani 1 1 d . . . . .
P4 P 0.58112(6) 0.60275(7) 0.46172(7) 0.0281(3) Uani 1 1 d . . . . .
S3 S 0.28439(8) 0.49965(7) 0.59584(8) 0.0340(4) Uani 1 1 d . . . . .
P5 P 0.57327(7) 0.39040(7) 0.49455(8) 0.0312(4) Uani 1 1 d . . . . .
S1 S 0.53284(9) 0.50454(7) 0.59387(10) 0.0438(5) Uani 1 1 d . . . . .
N1 N 0.4288(2) 0.6616(2) 0.6496(2) 0.0270(11) Uani 1 1 d . . . . .
N16 N 0.3830(2) 0.3370(2) 0.6653(2) 0.0287(12) Uani 1 1 d . . . . .
N8 N 0.2365(2) 0.5042(2) 0.4658(2) 0.0269(12) Uani 1 1 d . . . . .
N11 N 0.4022(3) 0.5124(2) 0.4555(3) 0.0352(13) Uani 1 1 d . . . . .
N15 N 0.5760(2) 0.4935(2) 0.4595(3) 0.0323(13) Uani 1 1 d . . . . .
C72 C 0.6425(3) 0.6323(3) 0.6442(3) 0.0275(13) Uani 1 1 d . . . . .
H72 H 0.638136 0.612386 0.610551 0.033 Uiso 1 1 calc R U . . .
N10 N 0.4098(3) 0.4880(3) 0.4071(3) 0.0372(14) Uani 1 1 d . . . . .
N12 N 0.3979(3) 0.3740(3) 0.4199(3) 0.0366(14) Uani 1 1 d . . . . .
H12 H 0.401197 0.410137 0.416699 0.044 Uiso 1 1 calc R U . . .
C70 C 0.6080(3) 0.6971(3) 0.7124(3) 0.0335(15) Uani 1 1 d . . . . .
H70 H 0.580005 0.721778 0.725236 0.040 Uiso 1 1 calc R U . . .
C105 C 0.4796(2) 0.6564(3) 0.6724(3) 0.0263(13) Uani 1 1 d . . . . .
C82 C 0.4912(3) 0.7795(3) 0.6377(3) 0.0285(14) Uani 1 1 d . . . . .
H82 H 0.467004 0.764355 0.664892 0.034 Uiso 1 1 calc R U . . .
C97 C 0.3364(3) 0.3444(3) 0.6949(3) 0.0280(14) Uani 1 1 d . . . . .
C81 C 0.5283(3) 0.7462(3) 0.6108(3) 0.0279(14) Uani 1 1 d . . . . .
C71 C 0.6000(2) 0.6675(2) 0.6630(3) 0.0241(13) Uani 1 1 d . . . . .
C111 C 0.4394(3) 0.5717(3) 0.3990(3) 0.0404(18) Uani 1 1 d . . . . .
H111 H 0.454753 0.604672 0.384053 0.048 Uiso 1 1 calc R U . . .
C86 C 0.3231(3) 0.7434(3) 0.4005(3) 0.0353(16) Uani 1 1 d . . . . .
H86 H 0.357718 0.762480 0.400139 0.042 Uiso 1 1 calc R U . . .
N6 N 0.3988(3) 0.4984(3) 0.7078(3) 0.0424(16) Uani 1 1 d . . . . .
C106 C 0.5750(3) 0.4427(3) 0.4394(3) 0.0311(14) Uani 1 1 d . . . . .
N13 N 0.3979(3) 0.3390(3) 0.3771(3) 0.0516(19) Uani 1 1 d . . . . .
C61 C 0.3157(3) 0.7281(3) 0.6202(3) 0.0312(15) Uani 1 1 d . . . . .
N7 N 0.3574(4) 0.4937(3) 0.7419(3) 0.0480(17) Uani 1 1 d . . . . .
N9 N 0.4321(3) 0.5236(3) 0.3710(3) 0.0386(14) Uani 1 1 d . . . . .
C11 C 0.6535(3) 0.6095(3) 0.4846(3) 0.0292(14) Uani 1 1 d . . . . .
N4 N 0.5122(4) 0.5061(3) 0.7064(3) 0.0482(19) Uani 1 1 d . . . . .
H4 H 0.476098 0.500635 0.703088 0.058 Uiso 1 1 calc R U . . .
C58 C 0.2201(3) 0.6088(3) 0.6755(4) 0.0381(16) Uani 1 1 d . . . . .
H58 H 0.221569 0.589799 0.641139 0.046 Uiso 1 1 calc R U . . .
C98 C 0.4324(3) 0.3405(3) 0.6905(3) 0.0285(14) Uani 1 1 d . . . . .
C104 C 0.4874(3) 0.6368(3) 0.7271(3) 0.0265(13) Uani 1 1 d . . . . .
H104 H 0.523615 0.633693 0.742649 0.032 Uiso 1 1 calc R U . . .
N5 N 0.3813(3) 0.5017(2) 0.6559(3) 0.0370(14) Uani 1 1 d . . . . .
C48 C 0.1463(3) 0.4206(3) 0.5049(4) 0.0365(17) Uani 1 1 d . . . . .
C95 C 0.2378(3) 0.4555(3) 0.4395(3) 0.0291(14) Uani 1 1 d . . . . .
C54 C 0.1911(3) 0.6229(3) 0.5164(3) 0.0292(14) Uani 1 1 d . . . . .
C14 C 0.5498(3) 0.3279(3) 0.6928(3) 0.0276(14) Uani 1 1 d . . . . .
C85 C 0.3158(3) 0.6981(3) 0.4348(3) 0.0312(14) Uani 1 1 d . . . . .
H85 H 0.345232 0.686410 0.458363 0.037 Uiso 1 1 calc R U . . .
C101 C 0.3841(3) 0.6484(2) 0.6800(3) 0.0247(13) Uani 1 1 d . . . . .
C15 C 0.5681(3) 0.2798(3) 0.7170(3) 0.0301(14) Uani 1 1 d . . . . .
H15 H 0.550713 0.245536 0.708278 0.036 Uiso 1 1 calc R U . . .
C30 C 0.4852(3) 0.2603(3) 0.6206(3) 0.0318(15) Uani 1 1 d . . . . .
C90 C 0.2651(3) 0.6693(3) 0.4349(3) 0.0287(14) Uani 1 1 d . . . . .
C124 C 0.2021(3) 0.3297(3) 0.7449(3) 0.0386(17) Uani 1 1 d . . . . .
H124 H 0.219540 0.295206 0.752464 0.046 Uiso 1 1 calc R U . . .
C102 C 0.3878(3) 0.6272(3) 0.7342(3) 0.0296(14) Uani 1 1 d . . . . .
H102 H 0.355330 0.616698 0.754112 0.035 Uiso 1 1 calc R U . . .
C110 C 0.5789(3) 0.5363(3) 0.4245(3) 0.0315(15) Uani 1 1 d . . . . .
C69 C 0.6569(3) 0.6902(3) 0.7428(3) 0.0370(17) Uani 1 1 d . . . . .
H69 H 0.662372 0.710322 0.776119 0.044 Uiso 1 1 calc R U . . .
C89 C 0.2222(3) 0.6867(3) 0.4000(3) 0.0324(15) Uani 1 1 d . . . . .
H89 H 0.187930 0.667030 0.399140 0.039 Uiso 1 1 calc R U . . .
C62 C 0.2703(3) 0.7612(3) 0.6342(4) 0.044(2) Uani 1 1 d . . . . .
H62 H 0.240786 0.746334 0.655754 0.053 Uiso 1 1 calc R U . . .
N14 N 0.3926(3) 0.2888(3) 0.3979(4) 0.060(2) Uani 1 1 d . . . . .
C18 C 0.6198(4) 0.3793(3) 0.7439(4) 0.047(2) Uani 1 1 d . . . . .
H18 H 0.636850 0.413515 0.753139 0.057 Uiso 1 1 calc R U . . .
C47 C 0.1277(4) 0.4128(3) 0.5589(5) 0.054(2) Uani 1 1 d . . . . .
H47 H 0.151819 0.395811 0.585133 0.065 Uiso 1 1 calc R U . . .
C16 C 0.6128(3) 0.2815(3) 0.7547(3) 0.0308(14) Uani 1 1 d . . . . .
H16 H 0.625386 0.248197 0.771596 0.037 Uiso 1 1 calc R U . . .
C88 C 0.2298(3) 0.7331(3) 0.3665(4) 0.0376(17) Uani 1 1 d . . . . .
H88 H 0.200375 0.745551 0.343364 0.045 Uiso 1 1 calc R U . . .
C67 C 0.6907(3) 0.6267(3) 0.6749(4) 0.0375(17) Uani 1 1 d . . . . .
H67 H 0.719796 0.603598 0.661651 0.045 Uiso 1 1 calc R U . . .
C6 C 0.6426(3) 0.4010(3) 0.5242(3) 0.0360(16) Uani 1 1 d . . . . .
C87 C 0.2803(3) 0.7610(3) 0.3668(3) 0.0366(17) Uani 1 1 d . . . . .
H87 H 0.285322 0.792457 0.343652 0.044 Uiso 1 1 calc R U . . .
C103 C 0.4401(3) 0.6222(3) 0.7574(3) 0.0297(14) Uani 1 1 d . . . . .
H103 H 0.443896 0.608857 0.794200 0.036 Uiso 1 1 calc R U . . .
C57 C 0.1756(3) 0.5997(4) 0.7113(4) 0.049(2) Uani 1 1 d . . . . .
H57 H 0.146212 0.575512 0.700834 0.059 Uiso 1 1 calc R U . . .
C34 C 0.2233(3) 0.2332(4) 0.6560(4) 0.045(2) Uani 1 1 d . . . . .
H34 H 0.192744 0.249833 0.674684 0.054 Uiso 1 1 calc R U . . .
C83 C 0.4889(3) 0.8363(3) 0.6253(4) 0.0363(17) Uani 1 1 d . . . . .
H83 H 0.462647 0.859282 0.643736 0.044 Uiso 1 1 calc R U . . .
C96 C 0.3377(3) 0.3561(4) 0.7510(3) 0.0399(18) Uani 1 1 d . . . . .
H96 H 0.304232 0.361465 0.771240 0.048 Uiso 1 1 calc R U . . .
C112 C 0.4212(3) 0.5652(3) 0.4523(3) 0.0305(14) Uani 1 1 d . . . . .
C49 C 0.1534(3) 0.5809(3) 0.5302(4) 0.0363(17) Uani 1 1 d . . . . .
H49 H 0.158635 0.544527 0.516040 0.044 Uiso 1 1 calc R U . . .
C35 C 0.2685(3) 0.2659(3) 0.6394(3) 0.0351(16) Uani 1 1 d . . . . .
C91 C 0.2515(3) 0.5505(3) 0.4376(3) 0.0309(15) Uani 1 1 d . . . . .
C76 C 0.5727(3) 0.6564(3) 0.4094(3) 0.0348(15) Uani 1 1 d . . . . .
C37 C 0.2394(4) 0.2932(3) 0.4533(4) 0.051(2) Uani 1 1 d . . . . .
H37 H 0.266505 0.293947 0.481957 0.062 Uiso 1 1 calc R U . . .
C42 C 0.2073(3) 0.3389(3) 0.4427(3) 0.0327(15) Uani 1 1 d . . . . .
C113 C 0.3923(3) 0.3476(3) 0.4684(3) 0.0345(16) Uani 1 1 d . . . . .
C5 C 0.6889(3) 0.4066(4) 0.4923(4) 0.049(2) Uani 1 1 d . . . . .
H5 H 0.685877 0.404464 0.453192 0.059 Uiso 1 1 calc R U . . .
C116 C 0.3100(4) 0.4934(3) 0.7119(3) 0.0414(18) Uani 1 1 d . . . . .
H116 H 0.273094 0.490589 0.725871 0.050 Uiso 1 1 calc R U . . .
C1 C 0.6483(4) 0.4036(4) 0.5809(4) 0.049(2) Uani 1 1 d . . . . .
H1 H 0.616404 0.399430 0.603774 0.059 Uiso 1 1 calc R U . . .
C17 C 0.6385(3) 0.3308(3) 0.7672(3) 0.0376(17) Uani 1 1 d . . . . .
H17 H 0.669147 0.331356 0.792062 0.045 Uiso 1 1 calc R U . . .
C13 C 0.5759(3) 0.3779(3) 0.7068(4) 0.0404(18) Uani 1 1 d . . . . .
H13 H 0.563301 0.411405 0.690520 0.049 Uiso 1 1 calc R U . . .
C8 C 0.7558(3) 0.6239(4) 0.5377(4) 0.0411(18) Uani 1 1 d . . . . .
H8 H 0.790814 0.628405 0.555439 0.049 Uiso 1 1 calc R U . . .
C59 C 0.2621(3) 0.6454(3) 0.6895(3) 0.0323(16) Uani 1 1 d . . . . .
C66 C 0.3583(3) 0.7499(3) 0.5871(4) 0.0445(19) Uani 1 1 d . . . . .
H66 H 0.388457 0.727150 0.575616 0.053 Uiso 1 1 calc R U . . .
C109 C 0.5785(4) 0.5290(4) 0.3676(4) 0.0458(19) Uani 1 1 d . . . . .
H109 H 0.578951 0.560124 0.343517 0.055 Uiso 1 1 calc R U . . .
C117 C 0.5473(4) 0.5101(3) 0.6633(4) 0.045(2) Uani 1 1 d . . . . .
C29 C 0.4545(3) 0.2204(3) 0.6479(3) 0.0353(16) Uani 1 1 d . . . . .
H29 H 0.432933 0.230762 0.679132 0.042 Uiso 1 1 calc R U . . .
C119 C 0.2173(3) 0.3603(3) 0.6988(3) 0.0338(15) Uani 1 1 d . . . . .
C20 C 0.5780(3) 0.3240(3) 0.4578(3) 0.0348(16) Uani 1 1 d . . . . .
C10 C 0.6758(3) 0.6621(3) 0.4923(3) 0.0356(16) Uani 1 1 d . . . . .
H10 H 0.656249 0.693495 0.478594 0.043 Uiso 1 1 calc R U . . .
C94 C 0.2565(3) 0.4491(3) 0.3860(4) 0.0393(17) Uani 1 1 d . . . . .
H94 H 0.258006 0.413658 0.368923 0.047 Uiso 1 1 calc R U . . .
N2 N 0.5915(5) 0.5175(3) 0.7452(5) 0.078(4) Uani 1 1 d . . . . .
C36 C 0.3117(4) 0.2407(4) 0.6108(4) 0.046(2) Uani 1 1 d . . . . .
H36 H 0.342538 0.262092 0.598402 0.055 Uiso 1 1 calc R U . . .
C22 C 0.5330(4) 0.2576(4) 0.3987(5) 0.052(2) Uani 1 1 d . . . . .
H22 H 0.502496 0.247587 0.375708 0.063 Uiso 1 1 calc R U . . .
C73 C 0.5535(5) 0.7379(4) 0.3303(5) 0.066(3) Uani 1 1 d . . . . .
H73 H 0.547399 0.766556 0.304073 0.079 Uiso 1 1 calc R U . . .
C4 C 0.7410(3) 0.4155(4) 0.5169(5) 0.054(2) Uani 1 1 d . . . . .
H4A H 0.772843 0.419124 0.493789 0.064 Uiso 1 1 calc R U . . .
C21 C 0.5331(3) 0.3078(3) 0.4258(4) 0.046(2) Uani 1 1 d . . . . .
H21 H 0.501864 0.331681 0.422405 0.055 Uiso 1 1 calc R U . . .
C120 C 0.1917(3) 0.4113(3) 0.6880(4) 0.0394(17) Uani 1 1 d . . . . .
H120 H 0.202509 0.432323 0.656536 0.047 Uiso 1 1 calc R U . . .
C107 C 0.5749(4) 0.4311(4) 0.3825(4) 0.0447(19) Uani 1 1 d . . . . .
H107 H 0.573359 0.394130 0.369172 0.054 Uiso 1 1 calc R U . . .
C93 C 0.2734(4) 0.4974(3) 0.3575(4) 0.0451(19) Uani 1 1 d . . . . .
H93 H 0.286414 0.495179 0.320468 0.054 Uiso 1 1 calc R U . . .
C78 C 0.5170(4) 0.7319(4) 0.3735(4) 0.053(2) Uani 1 1 d . . . . .
H78 H 0.485474 0.755541 0.376345 0.063 Uiso 1 1 calc R U . . .
C12 C 0.6834(3) 0.5632(3) 0.5041(4) 0.0413(18) Uani 1 1 d . . . . .
H12A H 0.669029 0.526786 0.499935 0.050 Uiso 1 1 calc R U . . .
C19 C 0.6230(3) 0.2875(3) 0.4649(4) 0.0411(18) Uani 1 1 d . . . . .
H19 H 0.653428 0.297067 0.488174 0.049 Uiso 1 1 calc R U . . .
C115 C 0.3254(3) 0.4978(3) 0.6562(3) 0.0355(16) Uani 1 1 d . . . . .
C51 C 0.0989(3) 0.6458(3) 0.5852(4) 0.0404(18) Uani 1 1 d . . . . .
H51 H 0.067592 0.653727 0.607847 0.049 Uiso 1 1 calc R U . . .
C84 C 0.5242(4) 0.8590(3) 0.5869(4) 0.050(2) Uani 1 1 d . . . . .
H84 H 0.522008 0.897274 0.578196 0.060 Uiso 1 1 calc R U . . .
C9 C 0.7257(3) 0.6696(3) 0.5196(4) 0.0395(17) Uani 1 1 d . . . . .
H9 H 0.739427 0.705938 0.525931 0.047 Uiso 1 1 calc R U . . .
C77 C 0.5262(3) 0.6914(3) 0.4130(4) 0.0369(16) Uani 1 1 d . . . . .
H77 H 0.500761 0.687300 0.442867 0.044 Uiso 1 1 calc R U . . .
C53 C 0.1816(3) 0.6759(3) 0.5382(4) 0.0363(17) Uani 1 1 d . . . . .
H53 H 0.206854 0.704957 0.529589 0.044 Uiso 1 1 calc R U . . .
C68 C 0.6971(3) 0.6541(3) 0.7244(3) 0.0368(17) Uani 1 1 d . . . . .
H68 H 0.729631 0.648130 0.745955 0.044 Uiso 1 1 calc R U . . .
C121 C 0.1512(4) 0.4309(4) 0.7226(4) 0.054(2) Uani 1 1 d . . . . .
H121 H 0.133010 0.464897 0.714293 0.065 Uiso 1 1 calc R U . . .
C92 C 0.2707(3) 0.5478(3) 0.3842(3) 0.0385(17) Uani 1 1 d . . . . .
H92 H 0.282162 0.580609 0.365726 0.046 Uiso 1 1 calc R U . . .
C123 C 0.1609(3) 0.3502(4) 0.7799(4) 0.047(2) Uani 1 1 d . . . . .
H123 H 0.149270 0.329008 0.811019 0.057 Uiso 1 1 calc R U . . .
N3 N 0.5385(6) 0.5114(3) 0.7552(4) 0.077(3) Uani 1 1 d . . . . .
C24 C 0.6222(3) 0.2367(3) 0.4370(4) 0.048(2) Uani 1 1 d . . . . .
H24 H 0.652985 0.212248 0.440229 0.058 Uiso 1 1 calc R U . . .
C65 C 0.3559(4) 0.8050(4) 0.5714(5) 0.059(3) Uani 1 1 d . . . . .
H65 H 0.385337 0.820633 0.550211 0.070 Uiso 1 1 calc R U . . .
C39 C 0.1930(5) 0.2429(4) 0.3820(5) 0.064(3) Uani 1 1 d . . . . .
H39 H 0.187039 0.209246 0.362569 0.077 Uiso 1 1 calc R U . . .
C28 C 0.4543(4) 0.1658(3) 0.6310(4) 0.0451(19) Uani 1 1 d . . . . .
H28 H 0.432622 0.139299 0.650484 0.054 Uiso 1 1 calc R U . . .
C52 C 0.1369(3) 0.6870(3) 0.5715(4) 0.0428(19) Uani 1 1 d . . . . .
H52 H 0.131697 0.723399 0.585507 0.051 Uiso 1 1 calc R U . . .
C7 C 0.7339(4) 0.5721(4) 0.5294(4) 0.048(2) Uani 1 1 d . . . . .
H7 H 0.754595 0.540907 0.541714 0.058 Uiso 1 1 calc R U . . .
C55 C 0.2166(3) 0.6638(4) 0.7758(4) 0.049(2) Uani 1 1 d . . . . .
H55 H 0.214856 0.683623 0.809742 0.059 Uiso 1 1 calc R U . . .
C114 C 0.3895(4) 0.2928(4) 0.4525(4) 0.053(2) Uani 1 1 d . . . . .
H114 H 0.385902 0.262339 0.477102 0.064 Uiso 1 1 calc R U . . .
C33 C 0.2226(4) 0.1772(4) 0.6456(4) 0.055(2) Uani 1 1 d . . . . .
H33 H 0.192139 0.155220 0.657648 0.066 Uiso 1 1 calc R U . . .
C56 C 0.1744(3) 0.6264(4) 0.7634(4) 0.051(2) Uani 1 1 d . . . . .
H56 H 0.145412 0.619063 0.789129 0.061 Uiso 1 1 calc R U . . .
C3 C 0.7472(3) 0.4191(3) 0.5710(5) 0.054(3) Uani 1 1 d . . . . .
H3 H 0.782672 0.426073 0.587021 0.065 Uiso 1 1 calc R U . . .
C60 C 0.2602(3) 0.6730(4) 0.7411(4) 0.0416(19) Uani 1 1 d . . . . .
H60 H 0.289208 0.697667 0.751458 0.050 Uiso 1 1 calc R U . . .
C2 C 0.6992(4) 0.4121(4) 0.6046(5) 0.057(2) Uani 1 1 d . . . . .
H2 H 0.702483 0.413277 0.643801 0.068 Uiso 1 1 calc R U . . .
C46 C 0.0751(4) 0.4291(4) 0.5753(6) 0.068(3) Uani 1 1 d . . . . .
H46 H 0.063027 0.422440 0.612095 0.081 Uiso 1 1 calc R U . . .
C23 C 0.5776(4) 0.2219(3) 0.4051(4) 0.054(2) Uani 1 1 d . . . . .
H23 H 0.577293 0.186879 0.387196 0.064 Uiso 1 1 calc R U . . .
C118 C 0.5991(5) 0.5156(3) 0.6898(6) 0.069(4) Uani 1 1 d . . . . .
H118 H 0.634030 0.517763 0.671526 0.082 Uiso 1 1 calc R U . . .
C31 C 0.3099(4) 0.1851(4) 0.6005(5) 0.056(3) Uani 1 1 d . . . . .
H31 H 0.339573 0.168017 0.580932 0.067 Uiso 1 1 calc R U . . .
C40 C 0.1623(4) 0.2885(4) 0.3696(5) 0.062(3) Uani 1 1 d . . . . .
H40 H 0.136029 0.287266 0.340202 0.075 Uiso 1 1 calc R U . . .
C99 C 0.4371(3) 0.3530(3) 0.7464(3) 0.0388(17) Uani 1 1 d . . . . .
H99 H 0.472501 0.356772 0.763449 0.047 Uiso 1 1 calc R U . . .
C43 C 0.1098(3) 0.4473(3) 0.4686(4) 0.047(2) Uani 1 1 d . . . . .
H43 H 0.121246 0.454512 0.431647 0.056 Uiso 1 1 calc R U . . .
C50 C 0.1080(3) 0.5922(3) 0.5647(4) 0.0421(18) Uani 1 1 d . . . . .
H50 H 0.083070 0.563245 0.574380 0.051 Uiso 1 1 calc R U . . .
C25 C 0.5159(4) 0.2437(4) 0.5757(4) 0.057(2) Uani 1 1 d . . . . .
H25 H 0.537746 0.269919 0.555957 0.068 Uiso 1 1 calc R U . . .
C63 C 0.2680(4) 0.8156(4) 0.6168(4) 0.054(3) Uani 1 1 d . . . . .
H63 H 0.236636 0.837805 0.625919 0.064 Uiso 1 1 calc R U . . .
C100 C 0.3882(4) 0.3598(4) 0.7766(4) 0.051(2) Uani 1 1 d . . . . .
H100 H 0.390029 0.366962 0.815213 0.062 Uiso 1 1 calc R U . . .
C80 C 0.5634(4) 0.7693(3) 0.5711(4) 0.052(2) Uani 1 1 d . . . . .
H80 H 0.588186 0.746413 0.550652 0.062 Uiso 1 1 calc R U . . .
C75 C 0.6094(4) 0.6631(4) 0.3645(4) 0.049(2) Uani 1 1 d . . . . .
H75 H 0.641497 0.640275 0.361668 0.058 Uiso 1 1 calc R U . . .
C108 C 0.5772(5) 0.4758(4) 0.3464(4) 0.056(2) Uani 1 1 d . . . . .
H108 H 0.577934 0.469850 0.307485 0.067 Uiso 1 1 calc R U . . .
C122 C 0.1365(4) 0.4020(4) 0.7694(4) 0.054(2) Uani 1 1 d . . . . .
H122 H 0.109950 0.416927 0.794512 0.065 Uiso 1 1 calc R U . . .
C41 C 0.1691(4) 0.3371(4) 0.4000(4) 0.057(3) Uani 1 1 d . . . . .
H41 H 0.147575 0.368923 0.391267 0.069 Uiso 1 1 calc R U . . .
C64 C 0.3104(5) 0.8377(4) 0.5866(5) 0.063(3) Uani 1 1 d . . . . .
H64 H 0.309047 0.875490 0.575864 0.076 Uiso 1 1 calc R U . . .
C79 C 0.5621(5) 0.8265(4) 0.5614(5) 0.068(3) Uani 1 1 d . . . . .
H79 H 0.588237 0.842687 0.536687 0.082 Uiso 1 1 calc R U . . .
C45 C 0.0390(4) 0.4558(4) 0.5370(7) 0.081(4) Uani 1 1 d . . . . .
H45 H 0.003009 0.467927 0.547850 0.097 Uiso 1 1 calc R U . . .
C32 C 0.2656(5) 0.1536(4) 0.6179(5) 0.064(3) Uani 1 1 d . . . . .
H32 H 0.265152 0.114952 0.610545 0.077 Uiso 1 1 calc R U . . .
C27 C 0.4849(4) 0.1499(4) 0.5868(5) 0.058(3) Uani 1 1 d . . . . .
H27 H 0.485238 0.112233 0.575333 0.069 Uiso 1 1 calc R U . . .
C74 C 0.5990(6) 0.7031(5) 0.3239(4) 0.066(3) Uani 1 1 d . . . . .
H74 H 0.622701 0.706361 0.292563 0.079 Uiso 1 1 calc R U . . .
C44 C 0.0572(4) 0.4633(4) 0.4858(6) 0.064(3) Uani 1 1 d . . . . .
H44 H 0.033091 0.480460 0.459695 0.077 Uiso 1 1 calc R U . . .
C38 C 0.2316(5) 0.2457(4) 0.4215(5) 0.066(3) Uani 1 1 d . . . . .
H38 H 0.254547 0.214300 0.428220 0.079 Uiso 1 1 calc R U . . .
C26 C 0.5150(5) 0.1885(4) 0.5590(6) 0.076(4) Uani 1 1 d . . . . .
H26 H 0.536002 0.177607 0.527495 0.091 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag3 Ag4 3.0851(7) . ?
Ag3 Ag2 3.0383(7) . ?
Ag3 S2 2.6016(16) . ?
Ag3 P1 2.4555(17) . ?
Ag3 P2 2.4555(18) . ?
Ag3 S3 2.6959(17) . ?
Ag1 Ag2 2.9499(8) . ?
Ag1 P3 2.4450(17) . ?
Ag1 S2 2.6172(15) . ?
Ag1 P4 2.4467(18) . ?
Ag1 S1 2.768(2) . ?
Ag6 Ag4 2.8815(7) . ?
Ag6 P8 2.4525(18) . ?
Ag6 S4 2.7785(18) . ?
Ag6 P7 2.4433(18) . ?
Ag6 S3 2.6984(17) . ?
Ag5 P6 2.5165(18) . ?
Ag5 S4 2.7221(18) . ?
Ag5 P5 2.5167(18) . ?
Ag5 S1 2.750(2) . ?
Ag4 Ag2 2.8442(9) . ?
Ag4 S4 2.5853(19) . ?
Ag4 S3 2.4941(19) . ?
Ag4 N11 2.186(6) . ?
Ag2 S2 2.5894(19) . ?
Ag2 S1 2.531(2) . ?
Ag2 N5 2.243(7) . ?
P3 C105 1.821(7) . ?
P3 C81 1.829(7) . ?
P3 C71 1.824(6) . ?
S2 C112 1.767(8) . ?
P6 C98 1.829(7) . ?
P6 C14 1.826(7) . ?
P6 C30 1.819(7) . ?
P1 C54 1.815(7) . ?
P1 C90 1.819(7) . ?
P1 C91 1.828(7) . ?
P8 C48 1.820(8) . ?
P8 C95 1.835(7) . ?
P8 C42 1.822(7) . ?
P2 C61 1.839(7) . ?
P2 C101 1.845(7) . ?
P2 C59 1.834(7) . ?
S4 C113 1.740(8) . ?
P7 C97 1.832(7) . ?
P7 C35 1.833(8) . ?
P7 C119 1.827(8) . ?
P4 C11 1.831(7) . ?
P4 C110 1.840(7) . ?
P4 C76 1.820(8) . ?
S3 C115 1.761(9) . ?
P5 C106 1.836(8) . ?
P5 C6 1.829(7) . ?
P5 C20 1.836(7) . ?
S1 C117 1.718(10) . ?
N1 C105 1.343(8) . ?
N1 C101 1.340(8) . ?
N16 C97 1.339(9) . ?
N16 C98 1.336(9) . ?
N8 C95 1.337(9) . ?
N8 C91 1.359(9) . ?
N11 N10 1.323(9) . ?
N11 C112 1.359(9) . ?
N15 C106 1.319(9) . ?
N15 C110 1.336(10) . ?
C72 H72 0.9500 . ?
C72 C71 1.404(9) . ?
C72 C67 1.381(10) . ?
N10 N9 1.337(9) . ?
N12 H12 0.8800 . ?
N12 N13 1.336(9) . ?
N12 C113 1.340(10) . ?
C70 H70 0.9500 . ?
C70 C71 1.405(10) . ?
C70 C69 1.395(10) . ?
C105 C104 1.416(10) . ?
C82 H82 0.9500 . ?
C82 C81 1.365(9) . ?
C82 C83 1.404(9) . ?
C97 C96 1.386(11) . ?
C81 C80 1.396(10) . ?
C111 H111 0.9500 . ?
C111 N9 1.354(11) . ?
C111 C112 1.367(11) . ?
C86 H86 0.9500 . ?
C86 C85 1.385(10) . ?
C86 C87 1.379(11) . ?
N6 N7 1.297(11) . ?
N6 N5 1.323(10) . ?
C106 C107 1.404(12) . ?
N13 N14 1.318(12) . ?
C61 C62 1.395(11) . ?
C61 C66 1.401(11) . ?
N7 C116 1.351(12) . ?
C11 C10 1.391(10) . ?
C11 C12 1.411(11) . ?
N4 H4 0.8800 . ?
N4 C117 1.344(13) . ?
N4 N3 1.344(11) . ?
C58 H58 0.9500 . ?
C58 C57 1.392(11) . ?
C58 C59 1.382(10) . ?
C98 C99 1.388(11) . ?
C104 H104 0.9500 . ?
C104 C103 1.397(9) . ?
N5 C115 1.346(10) . ?
C48 C47 1.393(13) . ?
C48 C43 1.396(12) . ?
C95 C94 1.378(12) . ?
C54 C49 1.401(9) . ?
C54 C53 1.403(10) . ?
C14 C15 1.372(9) . ?
C14 C13 1.401(10) . ?
C85 H85 0.9500 . ?
C85 C90 1.402(9) . ?
C101 C102 1.409(10) . ?
C15 H15 0.9500 . ?
C15 C16 1.410(10) . ?
C30 C29 1.381(10) . ?
C30 C25 1.372(12) . ?
C90 C89 1.396(9) . ?
C124 H124 0.9500 . ?
C124 C119 1.386(11) . ?
C124 C123 1.393(12) . ?
C102 H102 0.9500 . ?
C102 C103 1.381(10) . ?
C110 C109 1.387(12) . ?
C69 H69 0.9500 . ?
C69 C68 1.374(11) . ?
C89 H89 0.9500 . ?
C89 C88 1.394(10) . ?
C62 H62 0.9500 . ?
C62 C63 1.379(12) . ?
N14 C114 1.324(14) . ?
C18 H18 0.9500 . ?
C18 C17 1.375(10) . ?
C18 C13 1.382(11) . ?
C47 H47 0.9500 . ?
C47 C46 1.381(13) . ?
C16 H16 0.9500 . ?
C16 C17 1.374(10) . ?
C88 H88 0.9500 . ?
C88 C87 1.387(11) . ?
C67 H67 0.9500 . ?
C67 C68 1.375(12) . ?
C6 C5 1.358(11) . ?
C6 C1 1.379(13) . ?
C87 H87 0.9500 . ?
C103 H103 0.9500 . ?
C57 H57 0.9500 . ?
C57 C56 1.414(14) . ?
C34 H34 0.9500 . ?
C34 C35 1.401(11) . ?
C34 C33 1.374(12) . ?
C83 H83 0.9500 . ?
C83 C84 1.372(12) . ?
C96 H96 0.9500 . ?
C96 C100 1.363(12) . ?
C49 H49 0.9500 . ?
C49 C50 1.399(11) . ?
C35 C36 1.388(12) . ?
C91 C92 1.371(12) . ?
C76 C77 1.405(11) . ?
C76 C75 1.408(12) . ?
C37 H37 0.9500 . ?
C37 C42 1.370(11) . ?
C37 C38 1.394(12) . ?
C42 C41 1.381(12) . ?
C113 C114 1.378(11) . ?
C5 H5 0.9500 . ?
C5 C4 1.402(11) . ?
C116 H116 0.9500 . ?
C116 C115 1.399(12) . ?
C1 H1 0.9500 . ?
C1 C2 1.365(13) . ?
C17 H17 0.9500 . ?
C13 H13 0.9500 . ?
C8 H8 0.9500 . ?
C8 C9 1.391(11) . ?
C8 C7 1.370(12) . ?
C59 C60 1.413(11) . ?
C66 H66 0.9500 . ?
C66 C65 1.385(11) . ?
C109 H109 0.9500 . ?
C109 C108 1.384(12) . ?
C117 C118 1.404(14) . ?
C29 H29 0.9500 . ?
C29 C28 1.379(10) . ?
C119 C120 1.400(10) . ?
C20 C21 1.384(11) . ?
C20 C19 1.405(10) . ?
C10 H10 0.9500 . ?
C10 C9 1.379(11) . ?
C94 H94 0.9500 . ?
C94 C93 1.414(11) . ?
N2 N3 1.305(17) . ?
N2 C118 1.353(17) . ?
C36 H36 0.9500 . ?
C36 C31 1.366(12) . ?
C22 H22 0.9500 . ?
C22 C21 1.377(12) . ?
C22 C23 1.384(12) . ?
C73 H73 0.9500 . ?
C73 C78 1.370(16) . ?
C73 C74 1.389(17) . ?
C4 H4A 0.9500 . ?
C4 C3 1.320(15) . ?
C21 H21 0.9500 . ?
C120 H120 0.9500 . ?
C120 C121 1.369(12) . ?
C107 H107 0.9500 . ?
C107 C108 1.388(13) . ?
C93 H93 0.9500 . ?
C93 C92 1.379(11) . ?
C78 H78 0.9500 . ?
C78 C77 1.384(12) . ?
C12 H12A 0.9500 . ?
C12 C7 1.375(11) . ?
C19 H19 0.9500 . ?
C19 C24 1.399(12) . ?
C51 H51 0.9500 . ?
C51 C52 1.388(11) . ?
C51 C50 1.402(11) . ?
C84 H84 0.9500 . ?
C84 C79 1.348(13) . ?
C9 H9 0.9500 . ?
C77 H77 0.9500 . ?
C53 H53 0.9500 . ?
C53 C52 1.368(11) . ?
C68 H68 0.9500 . ?
C121 H121 0.9500 . ?
C121 C122 1.376(14) . ?
C92 H92 0.9500 . ?
C123 H123 0.9500 . ?
C123 C122 1.405(13) . ?
C24 H24 0.9500 . ?
C24 C23 1.366(13) . ?
C65 H65 0.9500 . ?
C65 C64 1.398(16) . ?
C39 H39 0.9500 . ?
C39 C40 1.359(16) . ?
C39 C38 1.333(16) . ?
C28 H28 0.9500 . ?
C28 C27 1.351(13) . ?
C52 H52 0.9500 . ?
C7 H7 0.9500 . ?
C55 H55 0.9500 . ?
C55 C56 1.390(13) . ?
C55 C60 1.361(12) . ?
C114 H114 0.9500 . ?
C33 H33 0.9500 . ?
C33 C32 1.357(16) . ?
C56 H56 0.9500 . ?
C3 H3 0.9500 . ?
C3 C2 1.421(15) . ?
C60 H60 0.9500 . ?
C2 H2 0.9500 . ?
C46 H46 0.9500 . ?
C46 C45 1.422(19) . ?
C23 H23 0.9500 . ?
C118 H118 0.9500 . ?
C31 H31 0.9500 . ?
C31 C32 1.373(15) . ?
C40 H40 0.9500 . ?
C40 C41 1.392(12) . ?
C99 H99 0.9500 . ?
C99 C100 1.392(12) . ?
C43 H43 0.9500 . ?
C43 C44 1.386(13) . ?
C50 H50 0.9500 . ?
C25 H25 0.9500 . ?
C25 C26 1.393(13) . ?
C63 H63 0.9500 . ?
C63 C64 1.361(16) . ?
C100 H100 0.9500 . ?
C80 H80 0.9500 . ?
C80 C79 1.401(12) . ?
C75 H75 0.9500 . ?
C75 C74 1.398(14) . ?
C108 H108 0.9500 . ?
C122 H122 0.9500 . ?
C41 H41 0.9500 . ?
C64 H64 0.9500 . ?
C79 H79 0.9500 . ?
C45 H45 0.9500 . ?
C45 C44 1.325(19) . ?
C32 H32 0.9500 . ?
C27 H27 0.9500 . ?
C27 C26 1.358(15) . ?
C74 H74 0.9500 . ?
C44 H44 0.9500 . ?
C38 H38 0.9500 . ?
C26 H26 0.9500 . ?

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
Ag2 Ag3 Ag4 55.347(18) . . ?
S2 Ag3 Ag4 78.85(4) . . ?
S2 Ag3 Ag2 53.99(4) . . ?
S2 Ag3 S3 126.39(6) . . ?
P1 Ag3 Ag4 96.21(4) . . ?
P1 Ag3 Ag2 144.61(5) . . ?
P1 Ag3 S2 104.39(6) . . ?
P1 Ag3 S3 98.26(6) . . ?
P2 Ag3 Ag4 139.66(5) . . ?
P2 Ag3 Ag2 96.66(4) . . ?
P2 Ag3 S2 109.52(5) . . ?
P2 Ag3 P1 118.14(6) . . ?
P2 Ag3 S3 100.89(6) . . ?
S3 Ag3 Ag4 50.57(4) . . ?
S3 Ag3 Ag2 80.03(4) . . ?
P3 Ag1 Ag2 100.01(4) . . ?
P3 Ag1 S2 110.05(5) . . ?
P3 Ag1 P4 127.81(6) . . ?
P3 Ag1 S1 103.63(6) . . ?
S2 Ag1 Ag2 55.05(4) . . ?
S2 Ag1 S1 103.22(6) . . ?
P4 Ag1 Ag2 131.98(4) . . ?
P4 Ag1 S2 104.57(6) . . ?
P4 Ag1 S1 105.01(6) . . ?
S1 Ag1 Ag2 52.42(5) . . ?
P8 Ag6 Ag4 94.14(4) . . ?
P8 Ag6 S4 113.75(6) . . ?
P8 Ag6 S3 99.38(6) . . ?
S4 Ag6 Ag4 54.32(4) . . ?
P7 Ag6 Ag4 134.20(5) . . ?
P7 Ag6 P8 131.15(6) . . ?
P7 Ag6 S4 102.75(6) . . ?
P7 Ag6 S3 104.93(6) . . ?
S3 Ag6 Ag4 52.98(4) . . ?
S3 Ag6 S4 100.35(6) . . ?
P6 Ag5 S4 90.96(6) . . ?
P6 Ag5 P5 119.37(6) . . ?
P6 Ag5 S1 115.54(7) . . ?
S4 Ag5 S1 123.86(6) . . ?
P5 Ag5 S4 118.19(6) . . ?
P5 Ag5 S1 91.66(6) . . ?
Ag6 Ag4 Ag3 115.24(2) . . ?
Ag2 Ag4 Ag3 61.493(19) . . ?
Ag2 Ag4 Ag6 126.31(3) . . ?
S4 Ag4 Ag3 158.83(5) . . ?
S4 Ag4 Ag6 60.81(4) . . ?
S4 Ag4 Ag2 102.81(5) . . ?
S3 Ag4 Ag3 56.60(4) . . ?
S3 Ag4 Ag6 59.74(4) . . ?
S3 Ag4 Ag2 87.39(5) . . ?
S3 Ag4 S4 111.80(6) . . ?
N11 Ag4 Ag3 86.55(16) . . ?
N11 Ag4 Ag6 149.54(17) . . ?
N11 Ag4 Ag2 82.10(18) . . ?
N11 Ag4 S4 106.19(17) . . ?
N11 Ag4 S3 141.94(17) . . ?
Ag1 Ag2 Ag3 106.46(2) . . ?
Ag4 Ag2 Ag3 63.16(2) . . ?
Ag4 Ag2 Ag1 127.06(3) . . ?
S2 Ag2 Ag3 54.36(4) . . ?
S2 Ag2 Ag1 55.93(4) . . ?
S2 Ag2 Ag4 83.71(4) . . ?
S1 Ag2 Ag3 165.46(6) . . ?
S1 Ag2 Ag1 60.10(5) . . ?
S1 Ag2 Ag4 118.99(5) . . ?
S1 Ag2 S2 111.10(6) . . ?
N5 Ag2 Ag3 83.57(17) . . ?
N5 Ag2 Ag1 152.94(17) . . ?
N5 Ag2 Ag4 79.97(17) . . ?
N5 Ag2 S2 137.74(17) . . ?
N5 Ag2 S1 110.93(18) . . ?
C105 P3 Ag1 106.9(2) . . ?
C105 P3 C81 104.1(3) . . ?
C105 P3 C71 106.1(3) . . ?
C81 P3 Ag1 118.4(2) . . ?
C71 P3 Ag1 117.2(2) . . ?
C71 P3 C81 102.9(3) . . ?
Ag3 S2 Ag1 133.63(7) . . ?
Ag2 S2 Ag3 71.65(5) . . ?
Ag2 S2 Ag1 69.02(4) . . ?
C112 S2 Ag3 104.8(2) . . ?
C112 S2 Ag1 104.6(2) . . ?
C112 S2 Ag2 98.8(2) . . ?
C98 P6 Ag5 115.2(2) . . ?
C14 P6 Ag5 118.6(2) . . ?
C14 P6 C98 101.8(3) . . ?
C30 P6 Ag5 113.1(3) . . ?
C30 P6 C98 103.4(3) . . ?
C30 P6 C14 102.7(3) . . ?
C54 P1 Ag3 105.9(2) . . ?
C54 P1 C90 104.7(3) . . ?
C54 P1 C91 108.8(3) . . ?
C90 P1 Ag3 120.7(2) . . ?
C90 P1 C91 104.7(3) . . ?
C91 P1 Ag3 111.4(2) . . ?
C48 P8 Ag6 114.5(3) . . ?
C48 P8 C95 101.7(3) . . ?
C48 P8 C42 104.5(3) . . ?
C95 P8 Ag6 111.1(2) . . ?
C42 P8 Ag6 118.0(2) . . ?
C42 P8 C95 105.4(3) . . ?
C61 P2 Ag3 110.4(3) . . ?
C61 P2 C101 104.5(3) . . ?
C101 P2 Ag3 109.3(2) . . ?
C59 P2 Ag3 120.7(2) . . ?
C59 P2 C61 104.6(3) . . ?
C59 P2 C101 106.1(3) . . ?
Ag5 S4 Ag6 142.15(8) . . ?
Ag4 S4 Ag6 64.87(4) . . ?
Ag4 S4 Ag5 97.78(6) . . ?
C113 S4 Ag6 108.5(2) . . ?
C113 S4 Ag5 108.7(2) . . ?
C113 S4 Ag4 106.4(2) . . ?
C97 P7 Ag6 113.8(2) . . ?
C97 P7 C35 101.5(3) . . ?
C35 P7 Ag6 111.4(3) . . ?
C119 P7 Ag6 116.7(2) . . ?
C119 P7 C97 104.2(3) . . ?
C119 P7 C35 108.0(3) . . ?
C11 P4 Ag1 105.9(2) . . ?
C11 P4 C110 104.6(3) . . ?
C110 P4 Ag1 115.8(2) . . ?
C76 P4 Ag1 118.4(3) . . ?
C76 P4 C11 104.6(3) . . ?
C76 P4 C110 106.2(4) . . ?
Ag3 S3 Ag6 138.24(8) . . ?
Ag4 S3 Ag3 72.83(5) . . ?
Ag4 S3 Ag6 67.28(5) . . ?
C115 S3 Ag3 96.1(2) . . ?
C115 S3 Ag6 102.8(2) . . ?
C115 S3 Ag4 100.8(3) . . ?
C106 P5 Ag5 116.6(2) . . ?
C6 P5 Ag5 112.3(3) . . ?
C6 P5 C106 99.6(3) . . ?
C6 P5 C20 104.7(3) . . ?
C20 P5 Ag5 117.1(2) . . ?
C20 P5 C106 104.4(4) . . ?
Ag5 S1 Ag1 134.61(9) . . ?
Ag2 S1 Ag1 67.48(5) . . ?
Ag2 S1 Ag5 89.17(7) . . ?
C117 S1 Ag1 110.8(3) . . ?
C117 S1 Ag5 112.1(3) . . ?
C117 S1 Ag2 102.9(3) . . ?
C101 N1 C105 118.6(6) . . ?
C98 N16 C97 119.4(6) . . ?
C95 N8 C91 118.6(6) . . ?
N10 N11 Ag4 124.4(5) . . ?
N10 N11 C112 108.7(6) . . ?
C112 N11 Ag4 126.3(5) . . ?
C106 N15 C110 119.1(7) . . ?
C71 C72 H72 120.2 . . ?
C67 C72 H72 120.2 . . ?
C67 C72 C71 119.7(7) . . ?
N11 N10 N9 110.2(6) . . ?
N13 N12 H12 124.0 . . ?
N13 N12 C113 112.1(7) . . ?
C113 N12 H12 124.0 . . ?
C71 C70 H70 119.9 . . ?
C69 C70 H70 119.9 . . ?
C69 C70 C71 120.1(7) . . ?
N1 C105 P3 112.4(5) . . ?
N1 C105 C104 122.4(6) . . ?
C104 C105 P3 125.1(5) . . ?
C81 C82 H82 120.0 . . ?
C81 C82 C83 120.0(7) . . ?
C83 C82 H82 120.0 . . ?
N16 C97 P7 112.2(5) . . ?
N16 C97 C96 122.0(6) . . ?
C96 C97 P7 125.7(5) . . ?
C82 C81 P3 123.9(5) . . ?
C82 C81 C80 119.1(7) . . ?
C80 C81 P3 117.0(6) . . ?
C72 C71 P3 119.1(5) . . ?
C72 C71 C70 118.9(6) . . ?
C70 C71 P3 122.0(5) . . ?
N9 C111 H111 125.3 . . ?
N9 C111 C112 109.4(7) . . ?
C112 C111 H111 125.3 . . ?
C85 C86 H86 119.9 . . ?
C87 C86 H86 119.9 . . ?
C87 C86 C85 120.2(6) . . ?
N7 N6 N5 111.3(7) . . ?
N15 C106 P5 111.9(6) . . ?
N15 C106 C107 123.1(7) . . ?
C107 C106 P5 125.0(6) . . ?
N14 N13 N12 106.6(8) . . ?
C62 C61 P2 121.7(6) . . ?
C62 C61 C66 119.6(7) . . ?
C66 C61 P2 118.5(6) . . ?
N6 N7 C116 107.9(7) . . ?
N10 N9 C111 106.1(6) . . ?
C10 C11 P4 119.1(5) . . ?
C10 C11 C12 118.9(7) . . ?
C12 C11 P4 120.9(5) . . ?
C117 N4 H4 123.9 . . ?
N3 N4 H4 123.9 . . ?
N3 N4 C117 112.3(10) . . ?
C57 C58 H58 119.7 . . ?
C59 C58 H58 119.7 . . ?
C59 C58 C57 120.6(8) . . ?
N16 C98 P6 114.0(5) . . ?
N16 C98 C99 121.9(7) . . ?
C99 C98 P6 124.0(5) . . ?
C105 C104 H104 121.1 . . ?
C103 C104 C105 117.7(6) . . ?
C103 C104 H104 121.1 . . ?
N6 N5 Ag2 122.8(5) . . ?
N6 N5 C115 107.9(7) . . ?
C115 N5 Ag2 125.8(5) . . ?
C47 C48 P8 119.1(7) . . ?
C47 C48 C43 116.8(8) . . ?
C43 C48 P8 123.9(7) . . ?
N8 C95 P8 110.2(5) . . ?
N8 C95 C94 123.6(6) . . ?
C94 C95 P8 126.1(5) . . ?
C49 C54 P1 124.3(5) . . ?
C49 C54 C53 117.8(7) . . ?
C53 C54 P1 117.0(5) . . ?
C15 C14 P6 124.1(6) . . ?
C15 C14 C13 118.9(7) . . ?
C13 C14 P6 117.0(5) . . ?
C86 C85 H85 119.9 . . ?
C86 C85 C90 120.2(7) . . ?
C90 C85 H85 119.9 . . ?
N1 C101 P2 111.8(5) . . ?
N1 C101 C102 123.1(6) . . ?
C102 C101 P2 124.8(5) . . ?
C14 C15 H15 120.2 . . ?
C14 C15 C16 119.6(6) . . ?
C16 C15 H15 120.2 . . ?
C29 C30 P6 124.1(6) . . ?
C25 C30 P6 118.4(6) . . ?
C25 C30 C29 117.4(7) . . ?
C85 C90 P1 118.0(5) . . ?
C89 C90 P1 122.6(5) . . ?
C89 C90 C85 119.4(6) . . ?
C119 C124 H124 120.4 . . ?
C119 C124 C123 119.1(8) . . ?
C123 C124 H124 120.4 . . ?
C101 C102 H102 121.1 . . ?
C103 C102 C101 117.8(6) . . ?
C103 C102 H102 121.1 . . ?
N15 C110 P4 111.5(5) . . ?
N15 C110 C109 122.0(7) . . ?
C109 C110 P4 126.5(6) . . ?
C70 C69 H69 120.1 . . ?
C68 C69 C70 119.8(7) . . ?
C68 C69 H69 120.1 . . ?
C90 C89 H89 120.1 . . ?
C88 C89 C90 119.7(6) . . ?
C88 C89 H89 120.1 . . ?
C61 C62 H62 119.9 . . ?
C63 C62 C61 120.2(9) . . ?
C63 C62 H62 119.9 . . ?
N13 N14 C114 108.6(7) . . ?
C17 C18 H18 120.2 . . ?
C17 C18 C13 119.6(7) . . ?
C13 C18 H18 120.2 . . ?
C48 C47 H47 119.3 . . ?
C46 C47 C48 121.4(11) . . ?
C46 C47 H47 119.3 . . ?
C15 C16 H16 119.7 . . ?
C17 C16 C15 120.6(6) . . ?
C17 C16 H16 119.7 . . ?
C89 C88 H88 119.9 . . ?
C87 C88 C89 120.2(7) . . ?
C87 C88 H88 119.9 . . ?
C72 C67 H67 119.5 . . ?
C68 C67 C72 120.9(7) . . ?
C68 C67 H67 119.5 . . ?
C5 C6 P5 122.5(7) . . ?
C5 C6 C1 118.4(8) . . ?
C1 C6 P5 119.1(6) . . ?
C86 C87 C88 120.3(6) . . ?
C86 C87 H87 119.8 . . ?
C88 C87 H87 119.8 . . ?
C104 C103 H103 119.8 . . ?
C102 C103 C104 120.3(7) . . ?
C102 C103 H103 119.8 . . ?
C58 C57 H57 120.1 . . ?
C58 C57 C56 119.8(8) . . ?
C56 C57 H57 120.1 . . ?
C35 C34 H34 119.6 . . ?
C33 C34 H34 119.6 . . ?
C33 C34 C35 120.7(9) . . ?
C82 C83 H83 119.7 . . ?
C84 C83 C82 120.6(7) . . ?
C84 C83 H83 119.7 . . ?
C97 C96 H96 120.7 . . ?
C100 C96 C97 118.5(8) . . ?
C100 C96 H96 120.7 . . ?
N11 C112 S2 122.6(6) . . ?
N11 C112 C111 105.5(7) . . ?
C111 C112 S2 131.8(6) . . ?
C54 C49 H49 119.9 . . ?
C50 C49 C54 120.3(6) . . ?
C50 C49 H49 119.9 . . ?
C34 C35 P7 124.1(7) . . ?
C36 C35 P7 117.5(6) . . ?
C36 C35 C34 118.4(8) . . ?
N8 C91 P1 112.6(6) . . ?
N8 C91 C92 121.5(6) . . ?
C92 C91 P1 124.6(5) . . ?
C77 C76 P4 118.3(6) . . ?
C77 C76 C75 118.4(7) . . ?
C75 C76 P4 123.3(6) . . ?
C42 C37 H37 120.5 . . ?
C42 C37 C38 119.0(9) . . ?
C38 C37 H37 120.5 . . ?
C37 C42 P8 117.9(6) . . ?
C37 C42 C41 119.2(7) . . ?
C41 C42 P8 122.9(6) . . ?
N12 C113 S4 128.3(5) . . ?
N12 C113 C114 102.5(7) . . ?
C114 C113 S4 129.1(7) . . ?
C6 C5 H5 119.8 . . ?
C6 C5 C4 120.5(9) . . ?
C4 C5 H5 119.8 . . ?
N7 C116 H116 126.5 . . ?
N7 C116 C115 106.9(7) . . ?
C115 C116 H116 126.5 . . ?
C6 C1 H1 119.5 . . ?
C2 C1 C6 120.9(9) . . ?
C2 C1 H1 119.5 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 C18 120.0(7) . . ?
C16 C17 H17 120.0 . . ?
C14 C13 H13 119.4 . . ?
C18 C13 C14 121.2(7) . . ?
C18 C13 H13 119.4 . . ?
C9 C8 H8 120.7 . . ?
C7 C8 H8 120.7 . . ?
C7 C8 C9 118.5(7) . . ?
C58 C59 P2 117.4(6) . . ?
C58 C59 C60 119.6(7) . . ?
C60 C59 P2 123.0(5) . . ?
C61 C66 H66 120.4 . . ?
C65 C66 C61 119.2(9) . . ?
C65 C66 H66 120.4 . . ?
C110 C109 H109 120.5 . . ?
C108 C109 C110 119.0(8) . . ?
C108 C109 H109 120.5 . . ?
N4 C117 S1 128.7(7) . . ?
N4 C117 C118 102.0(9) . . ?
C118 C117 S1 129.2(9) . . ?
C30 C29 H29 119.1 . . ?
C28 C29 C30 121.9(8) . . ?
C28 C29 H29 119.1 . . ?
C124 C119 P7 123.6(6) . . ?
C124 C119 C120 120.2(7) . . ?
C120 C119 P7 116.0(6) . . ?
C21 C20 P5 118.0(6) . . ?
C21 C20 C19 119.3(7) . . ?
C19 C20 P5 122.5(6) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 C11 121.2(7) . . ?
C9 C10 H10 119.4 . . ?
C95 C94 H94 121.4 . . ?
C95 C94 C93 117.2(7) . . ?
C93 C94 H94 121.4 . . ?
N3 N2 C118 108.1(9) . . ?
C35 C36 H36 120.1 . . ?
C31 C36 C35 119.7(9) . . ?
C31 C36 H36 120.1 . . ?
C21 C22 H22 120.2 . . ?
C21 C22 C23 119.5(9) . . ?
C23 C22 H22 120.2 . . ?
C78 C73 H73 119.1 . . ?
C78 C73 C74 121.7(10) . . ?
C74 C73 H73 119.1 . . ?
C5 C4 H4A 119.0 . . ?
C3 C4 C5 122.0(9) . . ?
C3 C4 H4A 119.0 . . ?
C20 C21 H21 119.5 . . ?
C22 C21 C20 121.1(8) . . ?
C22 C21 H21 119.5 . . ?
C119 C120 H120 119.9 . . ?
C121 C120 C119 120.2(8) . . ?
C121 C120 H120 119.9 . . ?
C106 C107 H107 121.3 . . ?
C108 C107 C106 117.5(8) . . ?
C108 C107 H107 121.3 . . ?
C94 C93 H93 120.4 . . ?
C92 C93 C94 119.2(8) . . ?
C92 C93 H93 120.4 . . ?
C73 C78 H78 120.1 . . ?
C73 C78 C77 119.8(9) . . ?
C77 C78 H78 120.1 . . ?
C11 C12 H12A 120.9 . . ?
C7 C12 C11 118.3(7) . . ?
C7 C12 H12A 120.9 . . ?
C20 C19 H19 120.7 . . ?
C24 C19 C20 118.7(8) . . ?
C24 C19 H19 120.7 . . ?
N5 C115 S3 123.5(6) . . ?
N5 C115 C116 106.0(7) . . ?
C116 C115 S3 130.5(6) . . ?
C52 C51 H51 120.8 . . ?
C52 C51 C50 118.3(7) . . ?
C50 C51 H51 120.8 . . ?
C83 C84 H84 120.2 . . ?
C79 C84 C83 119.7(7) . . ?
C79 C84 H84 120.2 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 119.9(7) . . ?
C10 C9 H9 120.0 . . ?
C76 C77 H77 119.7 . . ?
C78 C77 C76 120.7(8) . . ?
C78 C77 H77 119.7 . . ?
C54 C53 H53 119.1 . . ?
C52 C53 C54 121.8(7) . . ?
C52 C53 H53 119.1 . . ?
C69 C68 C67 120.5(7) . . ?
C69 C68 H68 119.8 . . ?
C67 C68 H68 119.8 . . ?
C120 C121 H121 119.7 . . ?
C120 C121 C122 120.6(8) . . ?
C122 C121 H121 119.7 . . ?
C91 C92 C93 119.8(7) . . ?
C91 C92 H92 120.1 . . ?
C93 C92 H92 120.1 . . ?
C124 C123 H123 119.9 . . ?
C124 C123 C122 120.2(8) . . ?
C122 C123 H123 119.9 . . ?
N2 N3 N4 107.9(11) . . ?
C19 C24 H24 119.6 . . ?
C23 C24 C19 120.8(7) . . ?
C23 C24 H24 119.6 . . ?
C66 C65 H65 119.9 . . ?
C66 C65 C64 120.1(10) . . ?
C64 C65 H65 119.9 . . ?
C40 C39 H39 120.1 . . ?
C38 C39 H39 120.1 . . ?
C38 C39 C40 119.7(8) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 C29 120.2(8) . . ?
C27 C28 H28 119.9 . . ?
C51 C52 H52 119.5 . . ?
C53 C52 C51 121.0(7) . . ?
C53 C52 H52 119.5 . . ?
C8 C7 C12 123.1(8) . . ?
C8 C7 H7 118.5 . . ?
C12 C7 H7 118.5 . . ?
C56 C55 H55 118.9 . . ?
C60 C55 H55 118.9 . . ?
C60 C55 C56 122.3(8) . . ?
N14 C114 C113 110.2(8) . . ?
N14 C114 H114 124.9 . . ?
C113 C114 H114 124.9 . . ?
C34 C33 H33 120.2 . . ?
C32 C33 C34 119.7(9) . . ?
C32 C33 H33 120.2 . . ?
C57 C56 H56 120.9 . . ?
C55 C56 C57 118.3(8) . . ?
C55 C56 H56 120.9 . . ?
C4 C3 H3 121.1 . . ?
C4 C3 C2 117.8(8) . . ?
C2 C3 H3 121.1 . . ?
C59 C60 H60 120.3 . . ?
C55 C60 C59 119.4(7) . . ?
C55 C60 H60 120.3 . . ?
C1 C2 C3 120.3(10) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
C47 C46 H46 119.9 . . ?
C47 C46 C45 120.1(11) . . ?
C45 C46 H46 119.9 . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.5(8) . . ?
C24 C23 H23 119.8 . . ?
C117 C118 H118 125.2 . . ?
N2 C118 C117 109.7(11) . . ?
N2 C118 H118 125.2 . . ?
C36 C31 H31 119.5 . . ?
C36 C31 C32 120.9(9) . . ?
C32 C31 H31 119.5 . . ?
C39 C40 H40 119.9 . . ?
C39 C40 C41 120.1(10) . . ?
C41 C40 H40 119.9 . . ?
C98 C99 H99 121.1 . . ?
C100 C99 C98 117.9(7) . . ?
C100 C99 H99 121.1 . . ?
C48 C43 H43 119.6 . . ?
C44 C43 C48 120.9(10) . . ?
C44 C43 H43 119.6 . . ?
C49 C50 C51 120.8(7) . . ?
C49 C50 H50 119.6 . . ?
C51 C50 H50 119.6 . . ?
C30 C25 H25 120.0 . . ?
C30 C25 C26 120.0(9) . . ?
C26 C25 H25 120.0 . . ?
C62 C63 H63 119.8 . . ?
C64 C63 C62 120.4(9) . . ?
C64 C63 H63 119.8 . . ?
C96 C100 C99 120.3(8) . . ?
C96 C100 H100 119.9 . . ?
C99 C100 H100 119.9 . . ?
C81 C80 H80 120.2 . . ?
C81 C80 C79 119.7(8) . . ?
C79 C80 H80 120.2 . . ?
C76 C75 H75 119.7 . . ?
C74 C75 C76 120.6(9) . . ?
C74 C75 H75 119.7 . . ?
C109 C108 C107 119.3(9) . . ?
C109 C108 H108 120.4 . . ?
C107 C108 H108 120.4 . . ?
C121 C122 C123 119.6(8) . . ?
C121 C122 H122 120.2 . . ?
C123 C122 H122 120.2 . . ?
C42 C41 C40 119.9(9) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C65 C64 H64 119.8 . . ?
C63 C64 C65 120.4(8) . . ?
C63 C64 H64 119.8 . . ?
C84 C79 C80 120.8(8) . . ?
C84 C79 H79 119.6 . . ?
C80 C79 H79 119.6 . . ?
C46 C45 H45 121.0 . . ?
C44 C45 C46 118.0(9) . . ?
C44 C45 H45 121.0 . . ?
C33 C32 C31 120.5(8) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C28 C27 H27 120.5 . . ?
C28 C27 C26 119.0(8) . . ?
C26 C27 H27 120.5 . . ?
C73 C74 C75 118.7(10) . . ?
C73 C74 H74 120.7 . . ?
C75 C74 H74 120.7 . . ?
C43 C44 H44 118.6 . . ?
C45 C44 C43 122.8(11) . . ?
C45 C44 H44 118.6 . . ?
C37 C38 H38 119.0 . . ?
C39 C38 C37 121.9(9) . . ?
C39 C38 H38 119.0 . . ?
C25 C26 H26 119.3 . . ?
C27 C26 C25 121.5(9) . . ?
C27 C26 H26 119.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag3 S2 C112 N11 -43.7(6) . . . . ?
Ag3 S2 C112 C111 138.6(7) . . . . ?
Ag3 P1 C54 C49 -89.4(7) . . . . ?
Ag3 P1 C54 C53 79.6(6) . . . . ?
Ag3 P1 C90 C85 12.6(7) . . . . ?
Ag3 P1 C90 C89 -165.8(5) . . . . ?
Ag3 P1 C91 N8 58.0(5) . . . . ?
Ag3 P1 C91 C92 -109.2(6) . . . . ?
Ag3 P2 C61 C62 119.4(6) . . . . ?
Ag3 P2 C61 C66 -56.0(6) . . . . ?
Ag3 P2 C101 N1 56.7(5) . . . . ?
Ag3 P2 C101 C102 -117.5(5) . . . . ?
Ag3 P2 C59 C58 -6.8(7) . . . . ?
Ag3 P2 C59 C60 171.9(6) . . . . ?
Ag3 S3 C115 N5 -54.3(6) . . . . ?
Ag3 S3 C115 C116 124.6(7) . . . . ?
Ag1 P3 C105 N1 -58.3(5) . . . . ?
Ag1 P3 C105 C104 117.1(5) . . . . ?
Ag1 P3 C81 C82 123.5(6) . . . . ?
Ag1 P3 C81 C80 -56.8(7) . . . . ?
Ag1 P3 C71 C72 6.0(6) . . . . ?
Ag1 P3 C71 C70 -172.0(5) . . . . ?
Ag1 S2 C112 N11 100.1(6) . . . . ?
Ag1 S2 C112 C111 -77.6(7) . . . . ?
Ag1 P4 C11 C10 -84.6(6) . . . . ?
Ag1 P4 C11 C12 83.6(6) . . . . ?
Ag1 P4 C110 N15 -36.6(5) . . . . ?
Ag1 P4 C110 C109 141.3(6) . . . . ?
Ag1 P4 C76 C77 -13.9(7) . . . . ?
Ag1 P4 C76 C75 168.5(6) . . . . ?
Ag1 S1 C117 N4 99.6(7) . . . . ?
Ag1 S1 C117 C118 -85.7(7) . . . . ?
Ag6 P8 C48 C47 -21.7(6) . . . . ?
Ag6 P8 C48 C43 154.6(6) . . . . ?
Ag6 P8 C95 N8 -61.8(5) . . . . ?
Ag6 P8 C95 C94 113.7(6) . . . . ?
Ag6 P8 C42 C37 -4.6(8) . . . . ?
Ag6 P8 C42 C41 174.9(7) . . . . ?
Ag6 S4 C113 N12 94.8(7) . . . . ?
Ag6 S4 C113 C114 -87.3(8) . . . . ?
Ag6 P7 C97 N16 -45.0(5) . . . . ?
Ag6 P7 C97 C96 132.1(6) . . . . ?
Ag6 P7 C35 C34 -119.7(7) . . . . ?
Ag6 P7 C35 C36 59.1(6) . . . . ?
Ag6 P7 C119 C124 169.2(6) . . . . ?
Ag6 P7 C119 C120 -15.1(7) . . . . ?
Ag6 S3 C115 N5 88.2(6) . . . . ?
Ag6 S3 C115 C116 -92.8(7) . . . . ?
Ag5 P6 C98 N16 58.7(5) . . . . ?
Ag5 P6 C98 C99 -117.6(6) . . . . ?
Ag5 P6 C14 C15 -144.3(5) . . . . ?
Ag5 P6 C14 C13 37.0(7) . . . . ?
Ag5 P6 C30 C29 -145.1(6) . . . . ?
Ag5 P6 C30 C25 40.2(8) . . . . ?
Ag5 S4 C113 N12 -78.0(7) . . . . ?
Ag5 S4 C113 C114 100.0(8) . . . . ?
Ag5 P5 C106 N15 53.6(5) . . . . ?
Ag5 P5 C106 C107 -125.8(6) . . . . ?
Ag5 P5 C6 C5 -169.1(6) . . . . ?
Ag5 P5 C6 C1 10.6(7) . . . . ?
Ag5 P5 C20 C21 61.9(7) . . . . ?
Ag5 P5 C20 C19 -112.6(6) . . . . ?
Ag5 S1 C117 N4 -65.3(7) . . . . ?
Ag5 S1 C117 C118 109.4(7) . . . . ?
Ag4 S4 C113 N12 26.4(7) . . . . ?
Ag4 S4 C113 C114 -155.6(7) . . . . ?
Ag4 S3 C115 N5 19.3(6) . . . . ?
Ag4 S3 C115 C116 -161.7(7) . . . . ?
Ag4 N11 N10 N9 170.1(5) . . . . ?
Ag4 N11 C112 S2 11.7(9) . . . . ?
Ag4 N11 C112 C111 -170.1(5) . . . . ?
Ag2 S2 C112 N11 29.6(6) . . . . ?
Ag2 S2 C112 C111 -148.1(7) . . . . ?
Ag2 S1 C117 N4 29.1(7) . . . . ?
Ag2 S1 C117 C118 -156.2(7) . . . . ?
Ag2 N5 C115 S3 21.4(9) . . . . ?
Ag2 N5 C115 C116 -157.7(5) . . . . ?
P3 C105 C104 C103 -174.3(5) . . . . ?
P3 C81 C80 C79 -176.7(9) . . . . ?
P6 C98 C99 C100 178.6(7) . . . . ?
P6 C14 C15 C16 -179.2(5) . . . . ?
P6 C14 C13 C18 179.3(7) . . . . ?
P6 C30 C29 C28 -174.7(6) . . . . ?
P6 C30 C25 C26 175.4(10) . . . . ?
P1 C54 C49 C50 168.8(6) . . . . ?
P1 C54 C53 C52 -170.3(6) . . . . ?
P1 C90 C89 C88 177.0(6) . . . . ?
P1 C91 C92 C93 168.2(6) . . . . ?
P8 C48 C47 C46 178.6(7) . . . . ?
P8 C48 C43 C44 -178.4(6) . . . . ?
P8 C95 C94 C93 -176.9(6) . . . . ?
P8 C42 C41 C40 -177.1(8) . . . . ?
P2 C61 C62 C63 -177.2(6) . . . . ?
P2 C61 C66 C65 179.1(7) . . . . ?
P2 C101 C102 C103 176.2(5) . . . . ?
P2 C59 C60 C55 -179.8(7) . . . . ?
S4 C113 C114 N14 -179.2(6) . . . . ?
P7 C97 C96 C100 -177.2(7) . . . . ?
P7 C35 C36 C31 179.9(7) . . . . ?
P7 C119 C120 C121 -176.4(7) . . . . ?
P4 C11 C10 C9 167.1(6) . . . . ?
P4 C11 C12 C7 -169.1(7) . . . . ?
P4 C110 C109 C108 179.5(7) . . . . ?
P4 C76 C77 C78 -178.3(6) . . . . ?
P4 C76 C75 C74 176.4(8) . . . . ?
P5 C106 C107 C108 -179.1(7) . . . . ?
P5 C6 C5 C4 179.0(7) . . . . ?
P5 C6 C1 C2 -179.2(7) . . . . ?
P5 C20 C21 C22 -177.7(8) . . . . ?
P5 C20 C19 C24 177.4(7) . . . . ?
S1 C117 C118 N2 -178.8(6) . . . . ?
N1 C105 C104 C103 0.6(9) . . . . ?
N1 C101 C102 C103 2.7(9) . . . . ?
N16 C97 C96 C100 -0.4(12) . . . . ?
N16 C98 C99 C100 2.6(12) . . . . ?
N8 C95 C94 C93 -2.1(11) . . . . ?
N8 C91 C92 C93 2.1(11) . . . . ?
N11 N10 N9 C111 1.2(8) . . . . ?
N15 C106 C107 C108 1.5(13) . . . . ?
N15 C110 C109 C108 -2.8(13) . . . . ?
C72 C67 C68 C69 -3.6(11) . . . . ?
N10 N11 C112 S2 -176.8(5) . . . . ?
N10 N11 C112 C111 1.5(8) . . . . ?
N12 N13 N14 C114 -0.2(10) . . . . ?
N12 C113 C114 N14 -0.8(10) . . . . ?
C70 C69 C68 C67 3.0(11) . . . . ?
C105 P3 C81 C82 5.0(7) . . . . ?
C105 P3 C81 C80 -175.3(7) . . . . ?
C105 P3 C71 C72 125.2(5) . . . . ?
C105 P3 C71 C70 -52.8(6) . . . . ?
C105 N1 C101 P2 -176.6(5) . . . . ?
C105 N1 C101 C102 -2.3(9) . . . . ?
C105 C104 C103 C102 -0.2(10) . . . . ?
C82 C81 C80 C79 3.1(15) . . . . ?
C82 C83 C84 C79 -1.1(15) . . . . ?
C97 P7 C35 C34 118.9(7) . . . . ?
C97 P7 C35 C36 -62.4(7) . . . . ?
C97 P7 C119 C124 -64.5(7) . . . . ?
C97 P7 C119 C120 111.2(6) . . . . ?
C97 N16 C98 P6 -178.1(5) . . . . ?
C97 N16 C98 C99 -1.7(10) . . . . ?
C97 C96 C100 C99 1.3(14) . . . . ?
C81 P3 C105 N1 67.8(5) . . . . ?
C81 P3 C105 C104 -116.8(6) . . . . ?
C81 P3 C71 C72 -125.8(5) . . . . ?
C81 P3 C71 C70 56.2(6) . . . . ?
C81 C82 C83 C84 -1.0(12) . . . . ?
C81 C80 C79 C84 -5.3(19) . . . . ?
C71 P3 C105 N1 176.0(4) . . . . ?
C71 P3 C105 C104 -8.7(6) . . . . ?
C71 P3 C81 C82 -105.5(6) . . . . ?
C71 P3 C81 C80 74.2(7) . . . . ?
C71 C72 C67 C68 1.6(11) . . . . ?
C71 C70 C69 C68 -0.4(11) . . . . ?
C86 C85 C90 P1 -178.3(6) . . . . ?
C86 C85 C90 C89 0.2(11) . . . . ?
N6 N7 C116 C115 0.4(9) . . . . ?
N6 N5 C115 S3 -179.5(5) . . . . ?
N6 N5 C115 C116 1.3(8) . . . . ?
C106 P5 C6 C5 -45.0(7) . . . . ?
C106 P5 C6 C1 134.7(7) . . . . ?
C106 P5 C20 C21 -68.7(7) . . . . ?
C106 P5 C20 C19 116.8(7) . . . . ?
C106 N15 C110 P4 -178.9(5) . . . . ?
C106 N15 C110 C109 3.1(10) . . . . ?
C106 C107 C108 C109 -1.2(14) . . . . ?
N13 N12 C113 S4 179.1(6) . . . . ?
N13 N12 C113 C114 0.7(9) . . . . ?
N13 N14 C114 C113 0.6(11) . . . . ?
C61 P2 C101 N1 -61.4(5) . . . . ?
C61 P2 C101 C102 124.4(6) . . . . ?
C61 P2 C59 C58 118.2(6) . . . . ?
C61 P2 C59 C60 -63.2(7) . . . . ?
C61 C62 C63 C64 -1.0(13) . . . . ?
C61 C66 C65 C64 -2.5(14) . . . . ?
N7 N6 N5 Ag2 158.7(5) . . . . ?
N7 N6 N5 C115 -1.1(8) . . . . ?
N7 C116 C115 S3 179.8(5) . . . . ?
N7 C116 C115 N5 -1.1(8) . . . . ?
N9 C111 C112 S2 177.3(5) . . . . ?
N9 C111 C112 N11 -0.7(9) . . . . ?
C11 P4 C110 N15 79.5(5) . . . . ?
C11 P4 C110 C109 -102.5(7) . . . . ?
C11 P4 C76 C77 -131.4(6) . . . . ?
C11 P4 C76 C75 51.0(7) . . . . ?
C11 C10 C9 C8 2.8(12) . . . . ?
C11 C12 C7 C8 1.7(14) . . . . ?
N4 C117 C118 N2 -3.1(9) . . . . ?
C58 C57 C56 C55 3.5(14) . . . . ?
C58 C59 C60 C55 -1.1(13) . . . . ?
C98 P6 C14 C15 88.1(6) . . . . ?
C98 P6 C14 C13 -90.5(6) . . . . ?
C98 P6 C30 C29 -19.8(7) . . . . ?
C98 P6 C30 C25 165.5(7) . . . . ?
C98 N16 C97 P7 177.8(5) . . . . ?
C98 N16 C97 C96 0.6(10) . . . . ?
C98 C99 C100 C96 -2.3(14) . . . . ?
N5 N6 N7 C116 0.4(9) . . . . ?
C48 P8 C95 N8 60.5(5) . . . . ?
C48 P8 C95 C94 -124.1(7) . . . . ?
C48 P8 C42 C37 -133.1(7) . . . . ?
C48 P8 C42 C41 46.4(8) . . . . ?
C48 C47 C46 C45 -1.6(14) . . . . ?
C48 C43 C44 C45 1.7(14) . . . . ?
C95 P8 C48 C47 -141.6(6) . . . . ?
C95 P8 C48 C43 34.7(7) . . . . ?
C95 P8 C42 C37 120.2(7) . . . . ?
C95 P8 C42 C41 -60.4(8) . . . . ?
C95 N8 C91 P1 -171.3(5) . . . . ?
C95 N8 C91 C92 -3.7(9) . . . . ?
C95 C94 C93 C92 0.4(12) . . . . ?
C54 P1 C90 C85 131.7(6) . . . . ?
C54 P1 C90 C89 -46.8(7) . . . . ?
C54 P1 C91 N8 -58.4(5) . . . . ?
C54 P1 C91 C92 134.4(6) . . . . ?
C54 C49 C50 C51 1.2(13) . . . . ?
C54 C53 C52 C51 0.1(13) . . . . ?
C14 P6 C98 N16 -171.5(5) . . . . ?
C14 P6 C98 C99 12.1(7) . . . . ?
C14 P6 C30 C29 85.8(7) . . . . ?
C14 P6 C30 C25 -88.8(7) . . . . ?
C14 C15 C16 C17 -0.4(11) . . . . ?
C85 C86 C87 C88 -0.8(12) . . . . ?
C85 C90 C89 C88 -1.4(11) . . . . ?
C101 P2 C61 C62 -123.1(6) . . . . ?
C101 P2 C61 C66 61.4(7) . . . . ?
C101 P2 C59 C58 -131.7(6) . . . . ?
C101 P2 C59 C60 46.9(7) . . . . ?
C101 N1 C105 P3 176.2(5) . . . . ?
C101 N1 C105 C104 0.7(9) . . . . ?
C101 C102 C103 C104 -1.3(10) . . . . ?
C15 C14 C13 C18 0.6(13) . . . . ?
C15 C16 C17 C18 1.4(12) . . . . ?
C30 P6 C98 N16 -65.2(5) . . . . ?
C30 P6 C98 C99 118.5(6) . . . . ?
C30 P6 C14 C15 -18.8(7) . . . . ?
C30 P6 C14 C13 162.6(6) . . . . ?
C30 C29 C28 C27 0.3(14) . . . . ?
C30 C25 C26 C27 -1(2) . . . . ?
C90 P1 C54 C49 142.0(7) . . . . ?
C90 P1 C54 C53 -49.0(6) . . . . ?
C90 P1 C91 N8 -170.0(5) . . . . ?
C90 P1 C91 C92 22.9(7) . . . . ?
C90 C89 C88 C87 1.5(12) . . . . ?
C124 C119 C120 C121 -0.6(13) . . . . ?
C124 C123 C122 C121 3.7(14) . . . . ?
C110 P4 C11 C10 152.6(6) . . . . ?
C110 P4 C11 C12 -39.2(7) . . . . ?
C110 P4 C76 C77 118.3(6) . . . . ?
C110 P4 C76 C75 -59.3(7) . . . . ?
C110 N15 C106 P5 178.1(5) . . . . ?
C110 N15 C106 C107 -2.4(10) . . . . ?
C110 C109 C108 C107 1.8(15) . . . . ?
C69 C70 C71 P3 176.4(5) . . . . ?
C69 C70 C71 C72 -1.6(10) . . . . ?
C89 C88 C87 C86 -0.4(12) . . . . ?
C62 C61 C66 C65 3.5(12) . . . . ?
C62 C63 C64 C65 2.1(14) . . . . ?
C47 C48 C43 C44 -2.0(11) . . . . ?
C47 C46 C45 C44 1.2(14) . . . . ?
C67 C72 C71 P3 -177.1(5) . . . . ?
C67 C72 C71 C70 1.0(10) . . . . ?
C6 P5 C106 N15 -67.4(5) . . . . ?
C6 P5 C106 C107 113.1(7) . . . . ?
C6 P5 C20 C21 -173.0(7) . . . . ?
C6 P5 C20 C19 12.6(8) . . . . ?
C6 C5 C4 C3 -0.4(15) . . . . ?
C6 C1 C2 C3 0.8(15) . . . . ?
C87 C86 C85 C90 0.9(12) . . . . ?
C57 C58 C59 P2 179.8(7) . . . . ?
C57 C58 C59 C60 1.1(12) . . . . ?
C34 C35 C36 C31 -1.2(13) . . . . ?
C34 C33 C32 C31 0.2(15) . . . . ?
C83 C82 C81 P3 179.7(6) . . . . ?
C83 C82 C81 C80 0.0(11) . . . . ?
C83 C84 C79 C80 4.3(18) . . . . ?
C112 N11 N10 N9 -1.7(8) . . . . ?
C112 C111 N9 N10 -0.3(9) . . . . ?
C49 C54 C53 C52 -0.6(11) . . . . ?
C35 P7 C97 N16 74.8(5) . . . . ?
C35 P7 C97 C96 -108.1(7) . . . . ?
C35 P7 C119 C124 42.8(7) . . . . ?
C35 P7 C119 C120 -141.5(6) . . . . ?
C35 C34 C33 C32 -1.3(14) . . . . ?
C35 C36 C31 C32 0.1(15) . . . . ?
C91 P1 C54 C49 30.5(7) . . . . ?
C91 P1 C54 C53 -160.5(6) . . . . ?
C91 P1 C90 C85 -113.9(6) . . . . ?
C91 P1 C90 C89 67.7(7) . . . . ?
C91 N8 C95 P8 179.3(5) . . . . ?
C91 N8 C95 C94 3.7(10) . . . . ?
C76 P4 C11 C10 41.2(7) . . . . ?
C76 P4 C11 C12 -150.6(6) . . . . ?
C76 P4 C110 N15 -170.2(5) . . . . ?
C76 P4 C110 C109 7.7(8) . . . . ?
C76 C75 C74 C73 3.3(15) . . . . ?
C37 C42 C41 C40 2.3(15) . . . . ?
C42 P8 C48 C47 108.9(6) . . . . ?
C42 P8 C48 C43 -74.7(7) . . . . ?
C42 P8 C95 N8 169.3(4) . . . . ?
C42 P8 C95 C94 -15.3(7) . . . . ?
C42 C37 C38 C39 -1.6(18) . . . . ?
C113 N12 N13 N14 -0.4(9) . . . . ?
C5 C6 C1 C2 0.5(14) . . . . ?
C5 C4 C3 C2 1.6(15) . . . . ?
C1 C6 C5 C4 -0.8(13) . . . . ?
C17 C18 C13 C14 0.5(14) . . . . ?
C13 C14 C15 C16 -0.6(11) . . . . ?
C13 C18 C17 C16 -1.5(14) . . . . ?
C59 P2 C61 C62 -11.8(7) . . . . ?
C59 P2 C61 C66 172.7(6) . . . . ?
C59 P2 C101 N1 -171.6(5) . . . . ?
C59 P2 C101 C102 14.2(6) . . . . ?
C59 C58 C57 C56 -2.3(13) . . . . ?
C66 C61 C62 C63 -1.8(12) . . . . ?
C66 C65 C64 C63 -0.3(15) . . . . ?
C117 N4 N3 N2 -1.7(9) . . . . ?
C29 C30 C25 C26 0.3(15) . . . . ?
C29 C28 C27 C26 -0.9(16) . . . . ?
C119 P7 C97 N16 -173.1(5) . . . . ?
C119 P7 C97 C96 4.0(7) . . . . ?
C119 P7 C35 C34 9.7(8) . . . . ?
C119 P7 C35 C36 -171.5(6) . . . . ?
C119 C124 C123 C122 -2.0(13) . . . . ?
C119 C120 C121 C122 2.3(15) . . . . ?
C20 P5 C106 N15 -175.4(5) . . . . ?
C20 P5 C106 C107 5.1(7) . . . . ?
C20 P5 C6 C5 62.7(8) . . . . ?
C20 P5 C6 C1 -117.5(7) . . . . ?
C20 C19 C24 C23 -2.4(14) . . . . ?
C10 C11 C12 C7 -0.9(12) . . . . ?
C94 C93 C92 C91 -0.4(13) . . . . ?
C36 C31 C32 C33 0.4(16) . . . . ?
C73 C78 C77 C76 0.2(13) . . . . ?
C4 C3 C2 C1 -1.9(14) . . . . ?
C21 C20 C19 C24 3.1(13) . . . . ?
C21 C22 C23 C24 -1.6(16) . . . . ?
C120 C121 C122 C123 -3.9(15) . . . . ?
C78 C73 C74 C75 -3.7(17) . . . . ?
C12 C11 C10 C9 -1.3(11) . . . . ?
C19 C20 C21 C22 -3.0(14) . . . . ?
C19 C24 C23 C22 1.7(16) . . . . ?
C9 C8 C7 C12 -0.2(14) . . . . ?
C77 C76 C75 C74 -1.2(13) . . . . ?
C53 C54 C49 C50 -0.1(11) . . . . ?
C123 C124 C119 P7 175.9(6) . . . . ?
C123 C124 C119 C120 0.4(12) . . . . ?
N3 N4 C117 S1 178.6(6) . . . . ?
N3 N4 C117 C118 2.9(8) . . . . ?
N3 N2 C118 C117 2.2(10) . . . . ?
C39 C40 C41 C42 0.0(18) . . . . ?
C28 C27 C26 C25 1(2) . . . . ?
C52 C51 C50 C49 -1.6(13) . . . . ?
C7 C8 C9 C10 -2.1(13) . . . . ?
C33 C34 C35 P7 -179.4(7) . . . . ?
C33 C34 C35 C36 1.8(12) . . . . ?
C56 C55 C60 C59 2.5(14) . . . . ?
C60 C55 C56 C57 -3.7(15) . . . . ?
C46 C45 C44 C43 -1.3(15) . . . . ?
C23 C22 C21 C20 2.3(16) . . . . ?
C118 N2 N3 N4 -0.4(10) . . . . ?
C40 C39 C38 C37 4.0(19) . . . . ?
C43 C48 C47 C46 2.0(11) . . . . ?
C50 C51 C52 C53 1.0(13) . . . . ?
C25 C30 C29 C28 0.0(12) . . . . ?
C75 C76 C77 C78 -0.6(12) . . . . ?
C74 C73 C78 C77 2.0(16) . . . . ?
C38 C37 C42 P8 177.9(8) . . . . ?
C38 C37 C42 C41 -1.6(15) . . . . ?
C38 C39 C40 C41 -3.2(18) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.070 0.022 0.139 67.0 17.4 ?
2 0.000 0.614 0.750 1380.6 326.6 ?
3 0.070 0.522 0.361 67.0 19.9 ?
4 0.500 0.330 0.250 1380.6 323.3 ?
5 0.430 0.478 0.861 67.0 19.2 ?
6 0.570 0.978 0.639 67.0 17.8 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 9.038
_oxdiff_exptl_absorpt_empirical_full_min 0.448
####################################################################### 
# 
# 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_Ag6-Rac
_database_code_depnum_ccdc_archive 'CCDC 2211325'
loop_
_audit_author_name
_audit_author_address
'shuaibo wang'
;zhengzhou University
China
;
_audit_update_record             
;
2023-02-05 deposited with the CCDC.	2023-07-04 downloaded from the CCDC.
;
_audit_creation_date             2023-02-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C124 H98 Ag5.95 N16 P8 S4, 2(H2 O)'
_chemical_formula_sum            'C124 H102 Ag5.95 N16 O2 P8 S4'
_chemical_formula_weight         2866.04
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   14.4279(2)
_cell_length_b                   17.4914(3)
_cell_length_c                   26.3185(4)
_cell_angle_alpha                94.0460(10)
_cell_angle_beta                 91.3660(10)
_cell_angle_gamma                109.9500(10)
_cell_volume                     6219.58(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    25635
_cell_measurement_temperature    200.00
_cell_measurement_theta_max      74.0590
_cell_measurement_theta_min      2.7210
_shelx_estimated_absorpt_T_max   0.453
_shelx_estimated_absorpt_T_min   0.352
_exptl_absorpt_coefficient_mu    9.415
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.49845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.27b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'yellowish yellow'
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2875
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0684
_diffrn_reflns_av_unetI/netI     0.0800
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            65292
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        65.500
_diffrn_reflns_theta_max         65.499
_diffrn_reflns_theta_min         2.697
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.00
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -77.00 -51.00   0.50    0.50    --    0.00 -38.00  90.00   52
  2  ω    -88.00 -30.00   0.50    0.50    --    0.00 -57.00-150.00  116
  3  ω    -16.00  85.00   0.50    0.50    --    0.00  38.00  90.00  202
  4  ω    -18.00  29.00   0.50    0.50    --    0.00  38.00 -30.00   94
  5  ω     52.00  89.00   0.50    0.50    --    0.00  38.00 -30.00   74
  6  ω    -26.00  19.00   0.50    0.50    --    0.00 -38.00  90.00   90
  7  ω     -4.00  22.00   0.50    0.50    --    0.00  38.00  30.00   52
  8  ω      6.00 122.00   0.50    2.20    --   95.80 -15.00 120.00  232
  9  ω      6.00 103.00   0.50    2.20    --   95.80 -61.00 120.00  194
 10  ω      7.00  33.00   0.50    2.20    --   95.80 -82.00  30.00   52
 11  ω      6.00 128.00   0.50    2.20    --   95.80 -82.00 120.00  244
 12  ω     12.00 120.00   0.50    2.20    --   95.80 -61.00 -90.00  216
 13  ω     88.00 128.00   0.50    2.20    --   95.80 -82.00 -30.00   80
 14  ω     77.00 106.00   0.50    2.20    --   95.80 -45.00 -30.00   58
 15  ω     17.00 128.00   0.50    2.20    --   95.80 -82.00 -90.00  222
 16  ω     76.00 108.00   0.50    2.20    --   95.80  30.00 120.00   64
 17  ω     93.00 118.00   0.50    2.20    --   95.80 -82.00-180.00   50
 18  ω     75.00 176.00   0.50    2.20    --   95.80  45.00  60.00  202
 19  ω    128.00 184.00   0.50    2.20    --   95.80  30.00 120.00  112
 20  ω     10.00  65.00   0.50    2.20    --   95.80 -61.00   0.00  110
 21  ω     73.00 100.00   0.50    2.20    --   95.80 -82.00  30.00   54
 22  ω     29.00 107.00   0.50    2.20    --   95.80 -82.00  60.00  156
 23  ω     97.00 123.00   0.50    2.20    --   95.80 -82.00 150.00   52
 24  ω     38.00 112.00   0.50    2.20    --   95.80 -30.00 120.00  148
 25  ω     84.00 109.00   0.50    2.20    --   95.80 -82.00 -60.00   50
 26  ω     97.00 148.00   0.50    2.20    --   95.80  82.00  90.00  102
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0946156000
_diffrn_orient_matrix_UB_12      -0.0274402000
_diffrn_orient_matrix_UB_13      -0.0350083000
_diffrn_orient_matrix_UB_21      0.0576055000
_diffrn_orient_matrix_UB_22      -0.0204841000
_diffrn_orient_matrix_UB_23      -0.0443715000
_diffrn_orient_matrix_UB_31      -0.0258184000
_diffrn_orient_matrix_UB_32      -0.0875711000
_diffrn_orient_matrix_UB_33      0.0160659000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16582
_reflns_number_total             21270
_reflns_odcompleteness_completeness 99.37
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.411
_refine_diff_density_min         -2.480
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1504
_refine_ls_number_reflns         21270
_refine_ls_number_restraints     104
_refine_ls_R_factor_all          0.0934
_refine_ls_R_factor_gt           0.0628
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0478P)²+46.5089P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1452
_refine_ls_wR_factor_ref         0.1565
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 S3-C123 = S4-C126
 1.75 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C123) \\sim Ueq, Uanis(C126) \\sim Ueq, Uanis(N14) \\sim Ueq, Uanis(N19)
\\sim Ueq, Uanis(N18) \\sim Ueq, Uanis(N15) \\sim Ueq, Uanis(N17) \\sim Ueq,
Uanis(N16) \\sim Ueq, Uanis(C124) \\sim Ueq, Uanis(C125) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(S4) \\sim Ueq, Uanis(S3) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C120) \\sim Ueq, Uanis(N5) \\sim Ueq, Uanis(N6) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C26) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Ag7) = Uanis(Ag6)
4. Others
 Sof(Ag7)=1-FVAR(1)
 Sof(Ag6)=FVAR(1)
 Sof(N14)=Sof(H14)=Sof(N16)=Sof(C126)=Sof(N15)=Sof(C125)=Sof(H125)=Sof(S4)=1-
 FVAR(2)
 Sof(S3)=Sof(C124)=Sof(H124)=Sof(C123)=Sof(N17)=Sof(N19)=Sof(H19A)=Sof(N18)=
 FVAR(2)
 Fixed Sof: Ag2(0.95)
5.a Riding coordinates:
 O1(H1A,H1B), O2(H2A,H2B)
5.b Aromatic/amide H refined with riding coordinates:
 N14(H14), C107(H107), C101(H101), C90(H90), C9(H9), C117(H117), C103(H103),
 C91(H91), C108(H108), C14(H14A), C92(H92), C95(H95), C88(H88), C34(H34),
 C40(H40), C35(H35), C7(H7A), C22(H22), C84(H84), C116(H116), C80(H80),
 C42(H42), C121(H121), C99(H99), C16(H16), C113(H113), C18(H18), C89(H89),
 C110(H110), C85(H85), C39(H39), C72(H72), C2(H2), C77(H77), C12(H12), C76(H76),
  C63(H63), C74(H74), C97(H97), C45(H45), C114(H114), C83(H83), C6(H6),
 C11(H11), C112(H112), C102(H102), C87(H87), C73(H73), C15(H15), C96(H96),
 C66(H66), C44(H44), C115(H115), C31(H31), C36(H36), C33(H33), C10(H10),
 C47(H47), C5(H5), C106(H106), C21(H21), C98(H98), C29(H29), C4(H4), C58(H58),
 C70(H70), C105(H105), C38(H38), C78(H78), C32(H32), C48(H48), C59(H59),
 C19(H19), C67(H67), C86(H86), C62(H62), C3(H3), C68(H68), C20(H20), C69(H69),
 C61(H61), C79(H79), C54(H54), C28(H28), C51(H51), C125(H125), C37(H37),
 C25(H25), C120(H120), C49(H49), C50(H50), C55(H55), C27(H27), C56(H56),
 C57(H57), C60(H60), C26(H26), C124(H124), N19(H19A)
;
_atom_sites_solution_hydrogens   mixed
_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 0.23765(4) 0.36122(3) 0.35494(2) 0.02779(12) Uani 1 1 d . . . . .
Ag4 Ag 0.22703(4) 0.38908(3) 0.16365(2) 0.02935(13) Uani 1 1 d . . . . .
Ag1 Ag 0.32764(4) 0.10932(3) 0.35863(2) 0.03586(14) Uani 1 1 d . . . . .
Ag6 Ag 0.31331(8) 0.13333(7) 0.15948(5) 0.0387(3) Uani 0.929(4) 1 d . . P A 1
Ag5 Ag 0.31338(4) 0.32126(5) 0.24295(3) 0.0611(2) Uani 1 1 d . . . . .
Ag2 Ag 0.22095(5) 0.18987(4) 0.30190(3) 0.05447(19) Uani 0.95 1 d . . P A .
S5 S 0.34078(12) 0.26686(10) 0.37391(6) 0.0285(4) Uani 1 1 d . . . . .
P2 P 0.09194(12) 0.31352(10) 0.40741(6) 0.0246(4) Uani 1 1 d . . . . .
P1 P 0.19980(12) 0.05634(10) 0.42109(7) 0.0259(4) Uani 1 1 d . . . . .
P8 P 0.48530(13) 0.08545(11) 0.35153(6) 0.0272(4) Uani 1 1 d . . . . .
P3 P 0.32629(13) 0.51014(10) 0.36620(6) 0.0267(4) Uani 1 1 d . . . . .
P4 P 0.33126(13) 0.53309(10) 0.17058(7) 0.0289(4) Uani 1 1 d . . . . .
S2 S 0.16232(14) 0.35750(12) 0.25912(6) 0.0361(4) Uani 1 1 d . . . . .
P6 P 0.17968(14) 0.07215(11) 0.08980(7) 0.0316(4) Uani 1 1 d . . . . .
P7 P 0.47007(13) 0.10227(11) 0.15474(7) 0.0287(4) Uani 1 1 d . . . . .
P5 P 0.07865(14) 0.33250(11) 0.10791(7) 0.0325(4) Uani 1 1 d . . . . .
S1 S 0.33519(15) 0.29314(12) 0.14738(8) 0.0452(5) Uani 1 1 d . . . . .
S3 S 0.2640(9) 0.0705(11) 0.2540(4) 0.042(2) Uani 0.59(4) 1 d D U P A 1
N4 N 0.1165(4) 0.1700(3) 0.4150(2) 0.0239(12) Uani 1 1 d . . . . .
N1 N 0.5093(4) 0.1066(3) 0.2535(2) 0.0290(13) Uani 1 1 d . . . . .
N8 N 0.4413(4) 0.3254(4) 0.2908(2) 0.0426(16) Uani 1 1 d . . . . .
N2 N 0.3619(4) 0.5388(3) 0.2692(2) 0.0271(12) Uani 1 1 d . . . . .
N3 N 0.0985(4) 0.1877(3) 0.0964(2) 0.0302(13) Uani 1 1 d . . . . .
N11 N 0.0853(5) 0.1925(4) 0.2641(3) 0.0400(15) Uani 1 1 d . . . . .
N7 N 0.5295(5) 0.3835(4) 0.1761(3) 0.0388(15) Uani 1 1 d . . . . .
C100 C 0.0937(5) 0.0890(4) 0.4097(2) 0.0248(14) Uani 1 1 d . . . . .
N13 N -0.0722(5) 0.1567(4) 0.2461(3) 0.0443(16) Uani 1 1 d . . . . .
N12 N -0.0002(5) 0.1290(4) 0.2583(3) 0.0415(16) Uani 1 1 d . . . . .
C93 C -0.0182(5) 0.3390(4) 0.3953(3) 0.0287(15) Uani 1 1 d . . . . .
C104 C 0.0457(5) 0.2018(4) 0.4034(2) 0.0245(14) Uani 1 1 d . . . . .
N10 N 0.5981(5) 0.3727(5) 0.3160(3) 0.0466(17) Uani 1 1 d . . . . .
C94 C 0.1282(5) 0.3481(4) 0.4746(3) 0.0277(15) Uani 1 1 d . . . . .
N9 N 0.5344(5) 0.3615(5) 0.2766(3) 0.0514(19) Uani 1 1 d . . . . .
C8 C 0.5713(5) 0.1191(4) 0.4074(3) 0.0293(15) Uani 1 1 d . . . . .
C71 C 0.4135(5) 0.5495(4) 0.2269(3) 0.0296(15) Uani 1 1 d . . . . .
C13 C 0.5581(5) 0.1332(4) 0.2989(2) 0.0270(14) Uani 1 1 d . . . . .
C75 C 0.4093(5) 0.5404(4) 0.3140(3) 0.0291(15) Uani 1 1 d . . . . .
C122 C 0.0697(5) 0.2617(4) 0.2546(2) 0.0296(15) Uani 1 1 d . . . . .
N14 N 0.079(2) -0.0099(16) 0.2580(11) 0.024(6) Uani 0.41(4) 1 d . U P A 2
H14 H 0.058728 0.031813 0.264678 0.029 Uiso 0.41(4) 1 calc R . P A 2
C81 C 0.2347(5) 0.5615(4) 0.3625(3) 0.0300(15) Uani 1 1 d . . . . .
C17 C 0.5512(5) 0.1413(4) 0.2120(2) 0.0266(14) Uani 1 1 d . . . . .
C82 C 0.4004(5) 0.5593(4) 0.4235(3) 0.0308(16) Uani 1 1 d . . . . .
C118 C 0.4459(5) 0.3127(4) 0.3406(2) 0.0273(15) Uani 1 1 d . . . . .
C107 C 0.0383(6) -0.1692(5) 0.4638(3) 0.0375(18) Uani 1 1 d . . . . .
H107 H 0.007987 -0.192041 0.493482 0.045 Uiso 1 1 calc R . . . .
C43 C 0.0733(5) 0.1062(4) 0.0970(3) 0.0311(16) Uani 1 1 d . . . . .
C101 C 0.0014(5) 0.0363(4) 0.3910(3) 0.0355(17) Uani 1 1 d . . . . .
H101 H -0.012735 -0.020995 0.387333 0.043 Uiso 1 1 calc R . . . .
C90 C -0.1850(5) 0.3775(5) 0.3715(3) 0.0384(18) Uani 1 1 d . . . . .
H90 H -0.242119 0.390422 0.363295 0.046 Uiso 1 1 calc R . . . .
C46 C 0.0291(5) 0.2212(4) 0.1050(3) 0.0294(15) Uani 1 1 d . . . . .
C23 C 0.4472(6) -0.0069(5) 0.1510(3) 0.0334(16) Uani 1 1 d . . . . .
C109 C 0.1386(5) -0.0533(4) 0.4234(3) 0.0268(14) Uani 1 1 d . . . . .
C9 C 0.6496(6) 0.0912(5) 0.4145(3) 0.0406(18) Uani 1 1 d . . . . .
H9 H 0.660834 0.054443 0.389025 0.049 Uiso 1 1 calc R . . . .
C41 C 0.2209(5) 0.0989(4) 0.0266(3) 0.0348(17) Uani 1 1 d . . . . .
C117 C 0.5454(5) 0.3437(5) 0.3554(3) 0.0394(18) Uani 1 1 d . . . . .
H117 H 0.571921 0.344069 0.388830 0.047 Uiso 1 1 calc R . . . .
C103 C -0.0476(5) 0.1525(4) 0.3840(3) 0.0336(16) Uani 1 1 d . . . . .
H103 H -0.095586 0.175951 0.374958 0.040 Uiso 1 1 calc R . . . .
C91 C -0.1822(5) 0.3348(5) 0.4136(3) 0.0422(19) Uani 1 1 d . . . . .
H91 H -0.237595 0.318509 0.434232 0.051 Uiso 1 1 calc R . . . .
C108 C 0.0926(5) -0.0872(4) 0.4659(3) 0.0302(15) Uani 1 1 d . . . . .
H108 H 0.098449 -0.053789 0.496692 0.036 Uiso 1 1 calc R . . . .
C64 C 0.2638(6) 0.6035(4) 0.1834(3) 0.0355(17) Uani 1 1 d . . . . .
C24 C 0.5498(5) 0.1381(4) 0.1019(3) 0.0334(16) Uani 1 1 d . . . . .
C111 C 0.2408(5) 0.0916(4) 0.4874(3) 0.0292(15) Uani 1 1 d . . . . .
C14 C 0.6493(6) 0.1948(5) 0.3043(3) 0.0385(18) Uani 1 1 d . . . . .
H14A H 0.682599 0.211956 0.336890 0.046 Uiso 1 1 calc R . . . .
C92 C -0.0996(5) 0.3158(4) 0.4256(3) 0.0341(16) Uani 1 1 d . . . . .
H92 H -0.098188 0.286723 0.454610 0.041 Uiso 1 1 calc R . . . .
C95 C 0.0998(6) 0.4090(5) 0.4989(3) 0.0429(19) Uani 1 1 d . . . . .
H95 H 0.055323 0.428852 0.481568 0.052 Uiso 1 1 calc R . . . .
C88 C -0.0213(6) 0.3819(4) 0.3538(3) 0.0335(16) Uani 1 1 d . . . . .
H88 H 0.034051 0.398518 0.333116 0.040 Uiso 1 1 calc R . . . .
C34 C 0.0747(7) -0.1660(5) 0.0283(3) 0.051(2) Uani 1 1 d . . . . .
H34 H 0.070559 -0.194828 -0.004162 0.061 Uiso 1 1 calc R . . . .
C65 C 0.4067(6) 0.5768(4) 0.1182(3) 0.0350(17) Uani 1 1 d . . . . .
C40 C 0.1653(6) 0.1192(5) -0.0104(3) 0.0432(19) Uani 1 1 d . . . . .
H40 H 0.104171 0.125069 -0.002259 0.052 Uiso 1 1 calc R . . . .
C35 C 0.1152(6) -0.0823(5) 0.0325(3) 0.0390(18) Uani 1 1 d . . . . .
H35 H 0.137472 -0.054396 0.002967 0.047 Uiso 1 1 calc R . . . .
C7 C 0.5578(5) 0.1746(5) 0.4449(3) 0.0371(17) Uani 1 1 d . . . . .
H7A H 0.506212 0.196140 0.440493 0.044 Uiso 1 1 calc R . . . .
C1 C 0.4697(6) -0.0228(4) 0.3401(3) 0.0334(16) Uani 1 1 d . . . . .
C22 C 0.5160(7) -0.0412(6) 0.1669(3) 0.050(2) Uani 1 1 d . . . . .
H22 H 0.577303 -0.007577 0.183113 0.059 Uiso 1 1 calc R . . . .
C30 C 0.1239(5) -0.0379(4) 0.0796(3) 0.0313(16) Uani 1 1 d . . . . .
C84 C 0.5253(6) 0.6706(5) 0.4715(3) 0.047(2) Uani 1 1 d . . . . .
H84 H 0.575814 0.722694 0.472840 0.057 Uiso 1 1 calc R . . . .
C116 C 0.3308(6) 0.0871(5) 0.5041(3) 0.0411(18) Uani 1 1 d . . . . .
H116 H 0.369955 0.069272 0.480823 0.049 Uiso 1 1 calc R . . . .
C80 C 0.2063(7) 0.5919(6) 0.4072(3) 0.054(2) Uani 1 1 d . . . . .
H80 H 0.242241 0.595153 0.438495 0.065 Uiso 1 1 calc R . . . .
C42 C -0.0205(6) 0.0564(5) 0.1065(3) 0.0417(19) Uani 1 1 d . . . . .
H42 H -0.036310 -0.000974 0.106657 0.050 Uiso 1 1 calc R . . . .
C121 C -0.0315(6) 0.2372(5) 0.2439(3) 0.0435(19) Uani 1 1 d . . . . .
H121 H -0.066483 0.272431 0.236104 0.052 Uiso 1 1 calc R . . . .
C99 C 0.1943(5) 0.3205(5) 0.5004(3) 0.0352(17) Uani 1 1 d . . . . .
H99 H 0.215454 0.279393 0.484300 0.042 Uiso 1 1 calc R . . . .
C16 C 0.6420(6) 0.2041(5) 0.2144(3) 0.0397(18) Uani 1 1 d . . . . .
H16 H 0.669684 0.227797 0.184366 0.048 Uiso 1 1 calc R . . . .
C113 C 0.2181(7) 0.1408(5) 0.5728(3) 0.047(2) Uani 1 1 d . . . . .
H113 H 0.180533 0.160672 0.596008 0.056 Uiso 1 1 calc R . . . .
N6 N 0.6108(6) 0.4393(5) 0.1606(3) 0.064(2) Uani 1 1 d . U . . .
C53 C -0.0242(6) 0.3660(5) 0.1230(3) 0.044(2) Uani 1 1 d . . . . .
C18 C 0.3553(7) -0.0592(5) 0.1292(3) 0.049(2) Uani 1 1 d . . . . .
H18 H 0.306211 -0.037174 0.119887 0.059 Uiso 1 1 calc R . . . .
C89 C -0.1049(6) 0.4011(5) 0.3419(3) 0.0392(18) Uani 1 1 d . . . . .
H89 H -0.106377 0.430581 0.313088 0.047 Uiso 1 1 calc R . . . .
C110 C 0.1292(6) -0.1028(5) 0.3785(3) 0.044(2) Uani 1 1 d . . . . .
H110 H 0.161170 -0.080449 0.349026 0.053 Uiso 1 1 calc R . . . .
C85 C 0.5049(7) 0.6303(6) 0.5144(3) 0.061(3) Uani 1 1 d . . . . .
H85 H 0.541765 0.654201 0.545401 0.073 Uiso 1 1 calc R . . . .
C39 C 0.1982(7) 0.1308(5) -0.0593(3) 0.053(2) Uani 1 1 d . . . . .
H39 H 0.160201 0.145392 -0.084418 0.064 Uiso 1 1 calc R . . . .
C72 C 0.5135(6) 0.5605(5) 0.2280(3) 0.045(2) Uani 1 1 d . . . . .
H72 H 0.548808 0.567401 0.197620 0.055 Uiso 1 1 calc R . . . .
C2 C 0.3965(6) -0.0771(5) 0.3651(3) 0.046(2) Uani 1 1 d . . . . .
H2 H 0.356093 -0.057158 0.386469 0.056 Uiso 1 1 calc R . . . .
C77 C 0.1011(6) 0.5847(5) 0.3171(3) 0.0429(19) Uani 1 1 d . . . . .
H77 H 0.066209 0.583606 0.285833 0.052 Uiso 1 1 calc R . . . .
C52 C 0.1102(6) 0.3590(5) 0.0433(3) 0.0397(18) Uani 1 1 d . . . . .
C12 C 0.6198(6) 0.1982(6) 0.4884(3) 0.051(2) Uani 1 1 d . . . . .
H12 H 0.609685 0.235102 0.514019 0.061 Uiso 1 1 calc R . . . .
C76 C 0.1806(6) 0.5574(5) 0.3173(3) 0.0390(18) Uani 1 1 d . . . . .
H76 H 0.198314 0.535696 0.286393 0.047 Uiso 1 1 calc R . . . .
C63 C 0.2961(7) 0.6716(5) 0.2183(3) 0.047(2) Uani 1 1 d . . . . .
H63 H 0.356980 0.683793 0.237245 0.056 Uiso 1 1 calc R . . . .
C74 C 0.5079(6) 0.5502(5) 0.3177(3) 0.0417(19) Uani 1 1 d . . . . .
H74 H 0.539277 0.549509 0.349777 0.050 Uiso 1 1 calc R . . . .
C119 C 0.4534(6) 0.3613(5) 0.1415(3) 0.0384(18) Uani 1 1 d . . . . .
C97 C 0.1997(7) 0.4131(5) 0.5738(3) 0.051(2) Uani 1 1 d . . . . .
H97 H 0.223255 0.434710 0.607662 0.061 Uiso 1 1 calc R . . . .
C45 C -0.0672(6) 0.1752(5) 0.1147(3) 0.0409(18) Uani 1 1 d . . . . .
H45 H -0.115337 0.200339 0.120424 0.049 Uiso 1 1 calc R . . . .
C114 C 0.3065(7) 0.1343(5) 0.5891(3) 0.050(2) Uani 1 1 d . . . . .
H114 H 0.328005 0.147480 0.624072 0.060 Uiso 1 1 calc R . . . .
C83 C 0.4729(6) 0.6365(4) 0.4255(3) 0.0386(18) Uani 1 1 d . . . . .
H83 H 0.486474 0.665425 0.395737 0.046 Uiso 1 1 calc R . . . .
C6 C 0.5282(7) -0.0521(5) 0.3092(3) 0.046(2) Uani 1 1 d . . . . .
H6 H 0.579200 -0.015378 0.291645 0.055 Uiso 1 1 calc R . . . .
C11 C 0.6958(6) 0.1688(6) 0.4948(3) 0.049(2) Uani 1 1 d . . . . .
H11 H 0.737654 0.184913 0.524959 0.059 Uiso 1 1 calc R . . . .
C112 C 0.1844(6) 0.1180(5) 0.5221(3) 0.0364(17) Uani 1 1 d . . . . .
H112 H 0.122430 0.120527 0.511055 0.044 Uiso 1 1 calc R . . . .
C102 C -0.0694(6) 0.0697(5) 0.3780(3) 0.0416(19) Uani 1 1 d . . . . .
H102 H -0.132989 0.035100 0.364969 0.050 Uiso 1 1 calc R . . . .
C87 C 0.3806(7) 0.5187(5) 0.4672(3) 0.052(2) Uani 1 1 d . . . . .
H87 H 0.332083 0.465715 0.466072 0.062 Uiso 1 1 calc R . . . .
C73 C 0.5601(6) 0.5610(6) 0.2745(3) 0.053(2) Uani 1 1 d . . . . .
H73 H 0.628606 0.568834 0.276549 0.064 Uiso 1 1 calc R . . . .
C15 C 0.6909(6) 0.2310(5) 0.2615(3) 0.052(2) Uani 1 1 d . . . . .
H15 H 0.752909 0.274101 0.264427 0.062 Uiso 1 1 calc R . . . .
C96 C 0.1349(7) 0.4412(5) 0.5477(3) 0.051(2) Uani 1 1 d . . . . .
H96 H 0.114559 0.482968 0.563497 0.062 Uiso 1 1 calc R . . . .
C66 C 0.3763(7) 0.5388(6) 0.0696(3) 0.051(2) Uani 1 1 d . . . . .
H66 H 0.319880 0.490542 0.064768 0.061 Uiso 1 1 calc R . . . .
C44 C -0.0910(6) 0.0921(5) 0.1159(3) 0.047(2) Uani 1 1 d . . . . .
H44 H -0.155968 0.059285 0.123245 0.056 Uiso 1 1 calc R . . . .
C115 C 0.3636(7) 0.1092(5) 0.5556(4) 0.053(2) Uani 1 1 d . . . . .
H115 H 0.425337 0.106592 0.567075 0.063 Uiso 1 1 calc R . . . .
C31 C 0.0885(7) -0.0829(5) 0.1219(3) 0.053(2) Uani 1 1 d . . . . .
H31 H 0.094481 -0.054674 0.154619 0.063 Uiso 1 1 calc R . . . .
N16 N 0.076(3) -0.1288(18) 0.2475(10) 0.048(7) Uani 0.41(4) 1 d . U P A 2
C126 C 0.179(3) 0.0014(16) 0.2524(18) 0.047(9) Uani 0.41(4) 1 d D U P A 2
C36 C 0.3118(6) 0.0933(5) 0.0142(3) 0.049(2) Uani 1 1 d . . . . .
H36 H 0.352390 0.082387 0.039610 0.058 Uiso 1 1 calc R . . . .
N15 N 0.015(2) -0.0859(19) 0.2529(12) 0.047(7) Uani 0.41(4) 1 d . U P A 2
C33 C 0.0402(8) -0.2091(5) 0.0693(4) 0.060(3) Uani 1 1 d . . . . .
H33 H 0.013184 -0.266960 0.065154 0.072 Uiso 1 1 calc R . . . .
C10 C 0.7110(6) 0.1158(5) 0.4576(3) 0.047(2) Uani 1 1 d . . . . .
H10 H 0.764298 0.096183 0.461687 0.057 Uiso 1 1 calc R . . . .
C47 C 0.1749(6) 0.3280(5) 0.0184(3) 0.047(2) Uani 1 1 d . . . . .
H47 H 0.194451 0.287570 0.033210 0.056 Uiso 1 1 calc R . . . .
C5 C 0.5126(8) -0.1352(6) 0.3038(4) 0.060(3) Uani 1 1 d . . . . .
H5 H 0.553052 -0.155252 0.282542 0.072 Uiso 1 1 calc R . . . .
C106 C 0.0272(7) -0.2181(5) 0.4196(4) 0.051(2) Uani 1 1 d . . . . .
H106 H -0.011435 -0.274495 0.418179 0.061 Uiso 1 1 calc R . . . .
C21 C 0.4941(8) -0.1252(6) 0.1588(3) 0.057(3) Uani 1 1 d . . . . .
H21 H 0.541285 -0.148759 0.168859 0.069 Uiso 1 1 calc R . . . .
C98 C 0.2296(7) 0.3530(5) 0.5497(3) 0.046(2) Uani 1 1 d . . . . .
H98 H 0.274655 0.333799 0.567131 0.055 Uiso 1 1 calc R . . . .
N5 N 0.5890(7) 0.4535(6) 0.1150(4) 0.080(3) Uani 1 1 d . U . . .
C29 C 0.5441(7) 0.2052(6) 0.0798(4) 0.054(2) Uani 1 1 d . . . . .
H29 H 0.501464 0.232101 0.092779 0.064 Uiso 1 1 calc R . . . .
C4 C 0.4387(9) -0.1886(5) 0.3290(4) 0.060(3) Uani 1 1 d . . . . .
H4 H 0.428070 -0.245398 0.325058 0.072 Uiso 1 1 calc R . . . .
C58 C -0.0176(7) 0.4107(6) 0.1688(4) 0.056(2) Uani 1 1 d . . . . .
H58 H 0.039548 0.423140 0.190884 0.068 Uiso 1 1 calc R . . . .
C70 C 0.4879(7) 0.6464(5) 0.1249(3) 0.051(2) Uani 1 1 d . . . . .
H70 H 0.507970 0.673093 0.158041 0.061 Uiso 1 1 calc R . . . .
C105 C 0.0735(8) -0.1841(5) 0.3770(4) 0.063(3) Uani 1 1 d . . . . .
H105 H 0.066454 -0.217650 0.346120 0.076 Uiso 1 1 calc R . . . .
C38 C 0.2855(7) 0.1214(5) -0.0713(4) 0.057(3) Uani 1 1 d . . . . .
H38 H 0.306698 0.127157 -0.105182 0.068 Uiso 1 1 calc R . . . .
C78 C 0.0724(7) 0.6131(6) 0.3614(4) 0.059(3) Uani 1 1 d . . . . .
H78 H 0.016126 0.629568 0.361292 0.071 Uiso 1 1 calc R . . . .
C32 C 0.0447(8) -0.1684(5) 0.1167(4) 0.060(3) Uani 1 1 d . . . . .
H32 H 0.018670 -0.197577 0.145281 0.071 Uiso 1 1 calc R . . . .
C48 C 0.2112(8) 0.3546(6) -0.0275(4) 0.061(3) Uani 1 1 d . . . . .
H48 H 0.254529 0.331995 -0.044454 0.074 Uiso 1 1 calc R . . . .
C59 C 0.1761(7) 0.5886(6) 0.1558(4) 0.061(3) Uani 1 1 d . . . . .
H59 H 0.153101 0.543023 0.131107 0.073 Uiso 1 1 calc R . . . .
C19 C 0.3364(8) -0.1412(6) 0.1215(4) 0.066(3) Uani 1 1 d . . . . .
H19 H 0.275014 -0.175275 0.105475 0.079 Uiso 1 1 calc R . . . .
C67 C 0.4289(8) 0.5719(7) 0.0281(4) 0.067(3) Uani 1 1 d . . . . .
H67 H 0.408105 0.546835 -0.005429 0.080 Uiso 1 1 calc R . . . .
C86 C 0.4321(8) 0.5558(7) 0.5134(3) 0.071(3) Uani 1 1 d . . . . .
H86 H 0.416309 0.529074 0.543871 0.085 Uiso 1 1 calc R . . . .
C62 C 0.2419(8) 0.7213(5) 0.2257(4) 0.059(3) Uani 1 1 d . . . . .
H62 H 0.265287 0.767535 0.249853 0.070 Uiso 1 1 calc R . . . .
C3 C 0.3800(8) -0.1600(6) 0.3600(4) 0.060(3) Uani 1 1 d . . . . .
H3 H 0.329084 -0.196619 0.377617 0.072 Uiso 1 1 calc R . . . .
C68 C 0.5102(8) 0.6404(7) 0.0357(4) 0.068(3) Uani 1 1 d . . . . .
H68 H 0.546456 0.662546 0.007334 0.082 Uiso 1 1 calc R . . . .
C20 C 0.4034(9) -0.1747(6) 0.1361(4) 0.063(3) Uani 1 1 d . . . . .
H20 H 0.388535 -0.232052 0.130908 0.075 Uiso 1 1 calc R . . . .
C69 C 0.5408(8) 0.6780(6) 0.0833(4) 0.064(3) Uani 1 1 d . . . . .
H69 H 0.598146 0.725566 0.088057 0.077 Uiso 1 1 calc R . . . .
C61 C 0.1546(9) 0.7053(6) 0.1990(4) 0.070(3) Uani 1 1 d . . . . .
H61 H 0.116808 0.739931 0.204744 0.084 Uiso 1 1 calc R . . . .
C79 C 0.1257(8) 0.6176(7) 0.4064(4) 0.072(3) Uani 1 1 d . . . . .
H79 H 0.106859 0.638656 0.437185 0.086 Uiso 1 1 calc R . . . .
C54 C -0.1087(7) 0.3483(6) 0.0911(5) 0.069(3) Uani 1 1 d . . . . .
H54 H -0.115549 0.316521 0.059564 0.083 Uiso 1 1 calc R . . . .
C28 C 0.5998(8) 0.2339(7) 0.0388(4) 0.068(3) Uani 1 1 d . . . . .
H28 H 0.596928 0.281392 0.024396 0.081 Uiso 1 1 calc R . . . .
C51 C 0.0835(9) 0.4181(6) 0.0210(4) 0.067(3) Uani 1 1 d . . . . .
H51 H 0.038863 0.439954 0.037242 0.080 Uiso 1 1 calc R . . . .
C125 C 0.174(3) -0.0740(16) 0.2452(9) 0.038(7) Uani 0.41(4) 1 d . U P A 2
H125 H 0.229681 -0.090309 0.239126 0.045 Uiso 0.41(4) 1 calc R . P A 2
C37 C 0.3430(7) 0.1035(6) -0.0346(4) 0.063(3) Uani 1 1 d . . . . .
H37 H 0.404337 0.098160 -0.042995 0.075 Uiso 1 1 calc R . . . .
C25 C 0.6109(9) 0.0996(7) 0.0829(4) 0.078(4) Uani 1 1 d . . . . .
H25 H 0.614671 0.052813 0.097865 0.094 Uiso 1 1 calc R . . . .
C120 C 0.4941(8) 0.4064(7) 0.1019(4) 0.070(3) Uani 1 1 d . U . . .
H120 H 0.460780 0.404819 0.070105 0.084 Uiso 1 1 calc R . . . .
C49 C 0.1844(10) 0.4142(7) -0.0487(4) 0.079(4) Uani 1 1 d . . . . .
H49 H 0.210056 0.433604 -0.080043 0.095 Uiso 1 1 calc R . . . .
C50 C 0.1205(12) 0.4454(7) -0.0243(5) 0.090(4) Uani 1 1 d . . . . .
H50 H 0.101866 0.486373 -0.038945 0.108 Uiso 1 1 calc R . . . .
C55 C -0.1832(8) 0.3778(7) 0.1061(6) 0.089(4) Uani 1 1 d . . . . .
H55 H -0.241059 0.366168 0.084667 0.107 Uiso 1 1 calc R . . . .
C27 C 0.6586(9) 0.1942(7) 0.0189(4) 0.079(4) Uani 1 1 d . . . . .
H27 H 0.693486 0.212056 -0.010677 0.094 Uiso 1 1 calc R . . . .
C56 C -0.1736(10) 0.4225(9) 0.1506(6) 0.100(5) Uani 1 1 d . . . . .
H56 H -0.223825 0.443885 0.159491 0.120 Uiso 1 1 calc R . . . .
C57 C -0.0942(9) 0.4380(9) 0.1832(5) 0.090(4) Uani 1 1 d . . . . .
H57 H -0.090665 0.467169 0.215462 0.108 Uiso 1 1 calc R . . . .
C60 C 0.1213(9) 0.6394(7) 0.1637(5) 0.083(4) Uani 1 1 d . . . . .
H60 H 0.060729 0.628535 0.144684 0.099 Uiso 1 1 calc R . . . .
C26 C 0.6680(10) 0.1285(8) 0.0413(5) 0.093(4) Uani 1 1 d . U . . .
H26 H 0.712562 0.103019 0.028936 0.112 Uiso 1 1 calc R . . . .
H7 H 0.527(7) 0.367(6) 0.212(4) 0.06(3) Uiso 1 1 d . . . . .
Ag7 Ag 0.3383(10) 0.1566(9) 0.1410(6) 0.0387(3) Uani 0.071(4) 1 d . . P A 2
S4 S 0.2645(12) 0.0976(15) 0.2561(6) 0.042(3) Uani 0.41(4) 1 d D U P A 2
C124 C 0.130(2) -0.0966(16) 0.2482(7) 0.045(5) Uani 0.59(4) 1 d . U P A 1
H124 H 0.176934 -0.123843 0.247842 0.054 Uiso 0.59(4) 1 calc R . P A 1
C123 C 0.1496(17) -0.0072(11) 0.2518(9) 0.033(5) Uani 0.59(4) 1 d D U P A 1
N17 N 0.032(2) -0.1297(12) 0.2456(7) 0.057(5) Uani 0.59(4) 1 d . U P A 1
N19 N 0.0559(16) -0.0021(14) 0.2503(9) 0.039(5) Uani 0.59(4) 1 d . U P A 1
H19A H 0.043812 0.043925 0.250214 0.047 Uiso 0.59(4) 1 calc R . P A 1
N18 N -0.016(2) -0.0780(15) 0.2491(10) 0.071(7) Uani 0.59(4) 1 d . U P A 1
O1 O 0.7558(6) 0.4831(7) 0.2667(4) 0.118(4) Uani 1 1 d . . . . .
H1A H 0.722969 0.453210 0.289780 0.177 Uiso 1 1 d R . . . .
H1B H 0.717369 0.476990 0.239600 0.177 Uiso 1 1 d R . . . .
O2 O -0.2528(8) 0.0269(10) 0.2355(6) 0.201(6) Uani 1 1 d . U . . .
H2A H -0.198841 0.023892 0.249298 0.302 Uiso 1 1 d R . . . .
H2B H -0.238481 0.069592 0.218158 0.302 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag3 Ag5 3.2792(9) . ?
Ag3 Ag2 3.1449(9) . ?
Ag3 S5 2.6351(17) . ?
Ag3 P2 2.4752(17) . ?
Ag3 P3 2.4715(17) . ?
Ag3 S2 2.7098(18) . ?
AG6a P6 2.5242(18) . ?
AG6a P7 2.5038(18) . ?
AG6a S1 2.746(2) . ?
AG6a S3 2.801(13) . ?
N14b H14 0.8800 . ?
N14b C126 1.40(4) . ?
N14b N15 1.33(4) . ?
N16b N15 1.34(4) . ?
C126b C125 1.30(4) . ?
N16b C125 1.42(3) . ?
C125b H125 0.9500 . ?
C126b S4 1.710(19) . ?
C124a H124 0.9500 . ?
C124a C123 1.49(3) . ?
S3a C123 1.741(16) . ?
C124a N17 1.33(3) . ?
C123a N19 1.39(3) . ?
N19a H19A 0.8800 . ?
N17a N18 1.32(3) . ?
N19a N18 1.37(3) . ?
Ag4 Ag5 2.9239(8) . ?
Ag4 P4 2.4449(18) . ?
Ag4 S2 2.7288(18) . ?
Ag4 P5 2.4320(18) . ?
Ag4 S1 2.6743(19) . ?
Ag1 Ag2 2.8724(9) . ?
Ag1 S5 2.6972(17) . ?
Ag1 P1 2.4811(17) . ?
Ag1 P8 2.4578(17) . ?
Ag1 S3 2.841(12) . ?
Ag1 S4 2.800(16) . ?
Ag5 Ag2 2.8245(10) . ?
Ag5 S2 2.506(2) . ?
Ag5 S1 2.576(2) . ?
Ag5 N8 2.186(6) . ?
Ag2 S5 2.5078(18) . ?
Ag2 S3 2.624(14) . ?
Ag2 N11 2.190(6) . ?
Ag2 S4 2.21(3) . ?
S5 C118 1.746(7) . ?
P2 C93 1.817(7) . ?
P2 C104 1.832(7) . ?
P2 C94 1.832(7) . ?
P1 C100 1.833(7) . ?
P1 C109 1.823(7) . ?
P1 C111 1.823(7) . ?
P8 C8 1.827(7) . ?
P8 C13 1.832(7) . ?
P8 C1 1.830(7) . ?
P3 C75 1.830(7) . ?
P3 C81 1.838(7) . ?
P3 C82 1.808(7) . ?
P4 C71 1.821(7) . ?
P4 C64 1.831(8) . ?
P4 C65 1.823(7) . ?
S2 C122 1.744(7) . ?
P6 C43 1.836(7) . ?
P6 C41 1.818(8) . ?
P6 C30 1.813(7) . ?
P6 Ag7 2.549(10) . ?
P7 C17 1.826(7) . ?
P7 C23 1.819(8) . ?
P7 C24 1.833(7) . ?
P7 Ag7 2.428(10) . ?
P5 C46 1.827(7) . ?
P5 C53 1.815(8) . ?
P5 C52 1.821(8) . ?
S1 C119 1.734(9) . ?
S1 Ag7 2.399(13) . ?
N4 C100 1.337(8) . ?
N4 C104 1.357(8) . ?
N1 C13 1.340(8) . ?
N1 C17 1.341(9) . ?
N8 N9 1.348(9) . ?
N8 C118 1.349(9) . ?
N2 C71 1.342(9) . ?
N2 C75 1.342(9) . ?
N3 C43 1.346(9) . ?
N3 C46 1.338(9) . ?
N11 N12 1.346(9) . ?
N11 C122 1.343(9) . ?
N7 N6 1.339(10) . ?
N7 C119 1.340(10) . ?
N7 H7 0.99(10) . ?
C100 C101 1.389(10) . ?
N13 N12 1.329(9) . ?
N13 C121 1.333(10) . ?
C93 C92 1.395(10) . ?
C93 C88 1.377(10) . ?
C104 C103 1.389(10) . ?
N10 N9 1.326(9) . ?
N10 C117 1.327(10) . ?
C94 C95 1.388(10) . ?
C94 C99 1.390(10) . ?
C8 C9 1.390(10) . ?
C8 C7 1.400(10) . ?
C71 C72 1.389(10) . ?
C13 C14 1.384(10) . ?
C75 C74 1.374(10) . ?
C122 C121 1.391(10) . ?
C81 C80 1.386(10) . ?
C81 C76 1.391(10) . ?
C17 C16 1.390(10) . ?
C82 C83 1.394(10) . ?
C82 C87 1.379(11) . ?
C118 C117 1.385(10) . ?
C107 H107 0.9500 . ?
C107 C108 1.376(10) . ?
C107 C106 1.367(11) . ?
C43 C42 1.377(11) . ?
C101 H101 0.9500 . ?
C101 C102 1.385(10) . ?
C90 H90 0.9500 . ?
C90 C91 1.386(12) . ?
C90 C89 1.371(11) . ?
C46 C45 1.388(10) . ?
C23 C22 1.394(11) . ?
C23 C18 1.408(11) . ?
C109 C108 1.379(10) . ?
C109 C110 1.391(10) . ?
C9 H9 0.9500 . ?
C9 C10 1.371(11) . ?
C41 C40 1.388(11) . ?
C41 C36 1.392(11) . ?
C117 H117 0.9500 . ?
C103 H103 0.9500 . ?
C103 C102 1.371(10) . ?
C91 H91 0.9500 . ?
C91 C92 1.377(10) . ?
C108 H108 0.9500 . ?
C64 C63 1.387(10) . ?
C64 C59 1.379(12) . ?
C24 C29 1.372(11) . ?
C24 C25 1.363(11) . ?
C111 C116 1.390(10) . ?
C111 C112 1.393(10) . ?
C14 H14A 0.9500 . ?
C14 C15 1.379(11) . ?
C92 H92 0.9500 . ?
C95 H95 0.9500 . ?
C95 C96 1.375(12) . ?
C88 H88 0.9500 . ?
C88 C89 1.393(10) . ?
C34 H34 0.9500 . ?
C34 C35 1.374(11) . ?
C34 C33 1.365(14) . ?
C65 C66 1.386(11) . ?
C65 C70 1.368(11) . ?
C40 H40 0.9500 . ?
C40 C39 1.387(12) . ?
C35 H35 0.9500 . ?
C35 C30 1.395(10) . ?
C7 H7A 0.9500 . ?
C7 C12 1.382(11) . ?
C1 C2 1.374(11) . ?
C1 C6 1.381(11) . ?
C22 H22 0.9500 . ?
C22 C21 1.392(12) . ?
C30 C31 1.413(12) . ?
C84 H84 0.9500 . ?
C84 C85 1.359(13) . ?
C84 C83 1.393(11) . ?
C116 H116 0.9500 . ?
C116 C115 1.407(12) . ?
C80 H80 0.9500 . ?
C80 C79 1.382(13) . ?
C42 H42 0.9500 . ?
C42 C44 1.382(11) . ?
C121 H121 0.9500 . ?
C99 H99 0.9500 . ?
C99 C98 1.391(11) . ?
C16 H16 0.9500 . ?
C16 C15 1.381(11) . ?
C113 H113 0.9500 . ?
C113 C114 1.378(12) . ?
C113 C112 1.392(11) . ?
N6 N5 1.296(12) . ?
C53 C58 1.373(12) . ?
C53 C54 1.394(12) . ?
C18 H18 0.9500 . ?
C18 C19 1.364(12) . ?
C89 H89 0.9500 . ?
C110 H110 0.9500 . ?
C110 C105 1.371(12) . ?
C85 H85 0.9500 . ?
C85 C86 1.366(14) . ?
C39 H39 0.9500 . ?
C39 C38 1.366(14) . ?
C72 H72 0.9500 . ?
C72 C73 1.382(12) . ?
C2 H2 0.9500 . ?
C2 C3 1.384(12) . ?
C77 H77 0.9500 . ?
C77 C76 1.386(10) . ?
C77 C78 1.364(12) . ?
C52 C47 1.386(12) . ?
C52 C51 1.381(12) . ?
C12 H12 0.9500 . ?
C12 C11 1.372(13) . ?
C76 H76 0.9500 . ?
C63 H63 0.9500 . ?
C63 C62 1.360(12) . ?
C74 H74 0.9500 . ?
C74 C73 1.367(11) . ?
C119 C120 1.371(13) . ?
C97 H97 0.9500 . ?
C97 C96 1.385(13) . ?
C97 C98 1.386(12) . ?
C45 H45 0.9500 . ?
C45 C44 1.378(11) . ?
C114 H114 0.9500 . ?
C114 C115 1.372(13) . ?
C83 H83 0.9500 . ?
C6 H6 0.9500 . ?
C6 C5 1.390(12) . ?
C11 H11 0.9500 . ?
C11 C10 1.374(12) . ?
C112 H112 0.9500 . ?
C102 H102 0.9500 . ?
C87 H87 0.9500 . ?
C87 C86 1.402(12) . ?
C73 H73 0.9500 . ?
C15 H15 0.9500 . ?
C96 H96 0.9500 . ?
C66 H66 0.9500 . ?
C66 C67 1.392(12) . ?
C44 H44 0.9500 . ?
C115 H115 0.9500 . ?
C31 H31 0.9500 . ?
C31 C32 1.405(12) . ?
C36 H36 0.9500 . ?
C36 C37 1.374(13) . ?
C33 H33 0.9500 . ?
C33 C32 1.383(13) . ?
C10 H10 0.9500 . ?
C47 H47 0.9500 . ?
C47 C48 1.376(12) . ?
C5 H5 0.9500 . ?
C5 C4 1.376(15) . ?
C106 H106 0.9500 . ?
C106 C105 1.385(13) . ?
C21 H21 0.9500 . ?
C21 C20 1.392(14) . ?
C98 H98 0.9500 . ?
N5 C120 1.357(14) . ?
C29 H29 0.9500 . ?
C29 C28 1.380(13) . ?
C4 H4 0.9500 . ?
C4 C3 1.377(14) . ?
C58 H58 0.9500 . ?
C58 C57 1.396(13) . ?
C70 H70 0.9500 . ?
C70 C69 1.386(13) . ?
C105 H105 0.9500 . ?
C38 H38 0.9500 . ?
C38 C37 1.381(14) . ?
C78 H78 0.9500 . ?
C78 C79 1.379(14) . ?
C32 H32 0.9500 . ?
C48 H48 0.9500 . ?
C48 C49 1.375(15) . ?
C59 H59 0.9500 . ?
C59 C60 1.387(14) . ?
C19 H19 0.9500 . ?
C19 C20 1.353(14) . ?
C67 H67 0.9500 . ?
C67 C68 1.360(15) . ?
C86 H86 0.9500 . ?
C62 H62 0.9500 . ?
C62 C61 1.361(14) . ?
C3 H3 0.9500 . ?
C68 H68 0.9500 . ?
C68 C69 1.362(15) . ?
C20 H20 0.9500 . ?
C69 H69 0.9500 . ?
C61 H61 0.9500 . ?
C61 C60 1.367(15) . ?
C79 H79 0.9500 . ?
C54 H54 0.9500 . ?
C54 C55 1.396(15) . ?
C28 H28 0.9500 . ?
C28 C27 1.359(16) . ?
C51 H51 0.9500 . ?
C51 C50 1.366(15) . ?
C37 H37 0.9500 . ?
C25 H25 0.9500 . ?
C25 C26 1.403(15) . ?
C120 H120 0.9500 . ?
C49 H49 0.9500 . ?
C49 C50 1.372(17) . ?
C50 H50 0.9500 . ?
C55 H55 0.9500 . ?
C55 C56 1.336(19) . ?
C27 H27 0.9500 . ?
C27 C26 1.374(17) . ?
C56 H56 0.9500 . ?
C56 C57 1.353(18) . ?
C57 H57 0.9500 . ?
C60 H60 0.9500 . ?
C26 H26 0.9500 . ?
O1 H1A 0.8699 . ?
O1 H1B 0.8703 . ?
O2 H2A 0.8699 . ?
O2 H2B 0.8704 . ?

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
C123a S3a Ag1 106.6(9) . . ?
C126b S4b Ag1 98.6(18) . . ?
Ag2 Ag3 Ag5 52.11(2) . . ?
AG6a S3a Ag1 139.5(7) . . ?
S5 Ag3 Ag5 76.27(4) . . ?
S5 Ag3 Ag2 50.49(4) . . ?
S5 Ag3 S2 119.69(6) . . ?
P2 Ag3 Ag5 140.50(4) . . ?
P2 Ag3 Ag2 97.32(4) . . ?
P2 Ag3 S5 104.71(6) . . ?
P2 Ag3 S2 104.96(6) . . ?
P3 Ag3 Ag5 99.40(4) . . ?
P3 Ag3 Ag2 148.73(5) . . ?
P3 Ag3 S5 116.78(6) . . ?
P3 Ag3 P2 113.95(6) . . ?
P3 Ag3 S2 96.54(6) . . ?
S2 Ag3 Ag5 48.33(4) . . ?
S2 Ag3 Ag2 74.55(4) . . ?
P4 Ag4 Ag5 103.20(5) . . ?
P4 Ag4 S2 105.44(6) . . ?
P4 Ag4 S1 110.90(7) . . ?
S2 Ag4 Ag5 52.50(4) . . ?
P5 Ag4 Ag5 132.76(5) . . ?
P5 Ag4 P4 123.67(6) . . ?
P5 Ag4 S2 104.36(6) . . ?
P5 Ag4 S1 107.19(6) . . ?
S1 Ag4 Ag5 54.57(5) . . ?
S1 Ag4 S2 103.22(7) . . ?
S5 Ag1 Ag2 53.41(4) . . ?
S5 Ag1 S3 102.6(3) . . ?
S5 Ag1 S4 93.0(6) . . ?
P1 Ag1 Ag2 96.34(5) . . ?
P1 Ag1 S5 96.27(6) . . ?
P1 Ag1 S3 116.2(3) . . ?
P1 Ag1 S4 117.6(3) . . ?
P8 Ag1 Ag2 135.95(5) . . ?
P8 Ag1 S5 115.74(6) . . ?
P8 Ag1 P1 127.60(6) . . ?
P8 Ag1 S3 96.9(2) . . ?
P8 Ag1 S4 101.7(5) . . ?
Ag4 Ag5 Ag3 110.34(3) . . ?
Ag2 Ag5 Ag3 61.49(2) . . ?
Ag2 Ag5 Ag4 129.28(3) . . ?
S2 Ag5 Ag3 53.87(4) . . ?
S2 Ag5 Ag4 59.75(4) . . ?
S2 Ag5 Ag2 83.65(5) . . ?
S2 Ag5 S1 112.86(6) . . ?
S1 Ag5 Ag3 166.69(5) . . ?
S1 Ag5 Ag4 57.77(4) . . ?
S1 Ag5 Ag2 119.78(6) . . ?
N8 Ag5 Ag3 80.73(17) . . ?
N8 Ag5 Ag4 149.72(18) . . ?
N8 Ag5 Ag2 80.96(18) . . ?
N8 Ag5 S2 133.88(18) . . ?
N8 Ag5 S1 112.55(18) . . ?
Ag1 Ag2 Ag3 112.54(3) . . ?
Ag5 Ag2 Ag3 66.39(2) . . ?
Ag5 Ag2 Ag1 123.30(3) . . ?
S5 Ag2 Ag3 54.16(4) . . ?
S5 Ag2 Ag1 59.72(4) . . ?
S5 Ag2 Ag5 87.29(5) . . ?
S5 Ag2 S3 114.8(3) . . ?
N11 Ag2 Ag3 85.38(18) . . ?
N11 Ag2 Ag1 151.43(17) . . ?
N11 Ag2 Ag5 83.71(17) . . ?
N11 Ag2 S5 138.52(18) . . ?
N11 Ag2 S3 106.7(3) . . ?
N11 Ag2 S4 106.1(5) . . ?
Ag3 S5 Ag1 139.75(7) . . ?
Ag2 S5 Ag3 75.35(5) . . ?
Ag2 S5 Ag1 66.88(4) . . ?
C118 S5 Ag3 100.3(2) . . ?
C118 S5 Ag1 99.8(2) . . ?
C118 S5 Ag2 100.7(2) . . ?
C93 P2 Ag3 121.8(2) . . ?
C93 P2 C104 103.6(3) . . ?
C93 P2 C94 104.7(3) . . ?
C104 P2 Ag3 109.3(2) . . ?
C104 P2 C94 106.5(3) . . ?
C94 P2 Ag3 109.8(2) . . ?
C100 P1 Ag1 111.1(2) . . ?
C109 P1 Ag1 120.3(2) . . ?
C109 P1 C100 101.0(3) . . ?
C109 P1 C111 103.2(3) . . ?
C111 P1 Ag1 114.5(2) . . ?
C111 P1 C100 104.9(3) . . ?
C8 P8 Ag1 116.4(2) . . ?
C8 P8 C13 104.4(3) . . ?
C8 P8 C1 103.2(3) . . ?
C13 P8 Ag1 114.3(2) . . ?
C1 P8 Ag1 112.9(2) . . ?
C1 P8 C13 104.3(3) . . ?
C75 P3 Ag3 109.1(2) . . ?
C75 P3 C81 108.2(3) . . ?
C81 P3 Ag3 108.2(2) . . ?
C82 P3 Ag3 122.2(2) . . ?
C82 P3 C75 105.1(3) . . ?
C82 P3 C81 103.3(3) . . ?
C71 P4 Ag4 106.8(2) . . ?
C71 P4 C64 104.1(3) . . ?
C71 P4 C65 107.6(3) . . ?
C64 P4 Ag4 114.0(3) . . ?
C65 P4 Ag4 120.5(2) . . ?
C65 P4 C64 102.6(3) . . ?
Ag3 S2 Ag4 139.10(7) . . ?
Ag5 S2 Ag3 77.80(6) . . ?
Ag5 S2 Ag4 67.75(5) . . ?
C122 S2 Ag3 100.1(2) . . ?
C122 S2 Ag4 107.9(2) . . ?
C122 S2 Ag5 102.0(2) . . ?
C43 P6 Ag6 113.4(2) . . ?
C43 P6 Ag7 116.8(3) . . ?
C41 P6 Ag6 113.3(2) . . ?
C41 P6 C43 104.3(3) . . ?
C41 P6 Ag7 98.1(5) . . ?
C30 P6 Ag6 119.2(2) . . ?
C30 P6 C43 103.5(3) . . ?
C30 P6 C41 101.5(3) . . ?
C30 P6 Ag7 128.7(4) . . ?
C17 P7 Ag6 112.7(2) . . ?
C17 P7 C24 104.6(3) . . ?
C17 P7 Ag7 117.7(3) . . ?
C23 P7 Ag6 111.9(3) . . ?
C23 P7 C17 103.6(3) . . ?
C23 P7 C24 104.1(3) . . ?
C23 P7 Ag7 121.9(4) . . ?
C24 P7 Ag6 118.6(2) . . ?
C24 P7 Ag7 103.0(6) . . ?
C46 P5 Ag4 112.1(2) . . ?
C53 P5 Ag4 116.9(3) . . ?
C53 P5 C46 105.6(4) . . ?
C53 P5 C52 106.6(4) . . ?
C52 P5 Ag4 108.6(3) . . ?
C52 P5 C46 106.4(3) . . ?
Ag4 S1 Ag6 136.27(9) . . ?
Ag5 S1 Ag4 67.65(5) . . ?
Ag5 S1 Ag6 91.75(8) . . ?
C119 S1 Ag4 103.9(3) . . ?
C119 S1 Ag6 118.0(3) . . ?
C119 S1 Ag5 100.4(3) . . ?
C119 S1 Ag7 109.3(4) . . ?
C100 N4 C104 118.7(6) . . ?
C13 N1 C17 118.3(6) . . ?
N9 N8 Ag5 121.7(5) . . ?
N9 N8 C118 107.8(6) . . ?
C118 N8 Ag5 128.8(5) . . ?
C71 N2 C75 118.6(6) . . ?
C46 N3 C43 118.4(6) . . ?
N12 N11 Ag2 124.7(5) . . ?
C122 N11 Ag2 123.5(5) . . ?
C122 N11 N12 110.0(6) . . ?
N6 N7 C119 113.3(7) . . ?
N6 N7 H7 121(6) . . ?
C119 N7 H7 126(5) . . ?
N4 C100 P1 113.4(5) . . ?
N4 C100 C101 122.5(6) . . ?
C101 C100 P1 123.6(5) . . ?
N12 N13 C121 107.4(6) . . ?
N13 N12 N11 108.6(6) . . ?
C92 C93 P2 122.9(6) . . ?
C88 C93 P2 118.0(5) . . ?
C88 C93 C92 119.0(6) . . ?
N4 C104 P2 113.0(5) . . ?
N4 C104 C103 121.6(6) . . ?
C103 C104 P2 124.8(5) . . ?
N9 N10 C117 106.6(6) . . ?
C95 C94 P2 120.9(6) . . ?
C95 C94 C99 118.5(7) . . ?
C99 C94 P2 120.2(5) . . ?
N10 N9 N8 110.3(6) . . ?
C9 C8 P8 122.6(5) . . ?
C9 C8 C7 118.2(7) . . ?
C7 C8 P8 119.2(5) . . ?
N2 C71 P4 110.4(5) . . ?
N2 C71 C72 122.2(7) . . ?
C72 C71 P4 126.8(6) . . ?
N1 C13 P8 112.1(5) . . ?
N1 C13 C14 122.4(6) . . ?
C14 C13 P8 125.2(5) . . ?
N2 C75 P3 113.3(5) . . ?
N2 C75 C74 122.3(7) . . ?
C74 C75 P3 123.5(6) . . ?
N11 C122 S2 123.8(5) . . ?
N11 C122 C121 104.1(7) . . ?
C121 C122 S2 132.0(6) . . ?
C80 C81 P3 119.0(6) . . ?
C80 C81 C76 118.7(7) . . ?
C76 C81 P3 121.2(5) . . ?
N1 C17 P7 111.8(5) . . ?
N1 C17 C16 122.8(6) . . ?
C16 C17 P7 125.2(5) . . ?
C83 C82 P3 123.0(6) . . ?
C87 C82 P3 117.5(6) . . ?
C87 C82 C83 119.5(7) . . ?
N8 C118 S5 122.5(5) . . ?
N8 C118 C117 105.3(6) . . ?
C117 C118 S5 132.1(5) . . ?
C108 C107 H107 119.5 . . ?
C106 C107 H107 119.5 . . ?
C106 C107 C108 120.9(7) . . ?
N3 C43 P6 112.3(5) . . ?
N3 C43 C42 122.7(7) . . ?
C42 C43 P6 124.7(6) . . ?
C100 C101 H101 120.9 . . ?
C102 C101 C100 118.2(7) . . ?
C102 C101 H101 120.9 . . ?
C91 C90 H90 120.2 . . ?
C89 C90 H90 120.2 . . ?
C89 C90 C91 119.6(7) . . ?
N3 C46 P5 112.3(5) . . ?
N3 C46 C45 122.5(6) . . ?
C45 C46 P5 125.0(6) . . ?
C22 C23 P7 123.9(6) . . ?
C22 C23 C18 118.6(7) . . ?
C18 C23 P7 117.5(6) . . ?
C108 C109 P1 122.7(5) . . ?
C108 C109 C110 119.3(7) . . ?
C110 C109 P1 117.7(5) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 C8 121.1(7) . . ?
C10 C9 H9 119.5 . . ?
C40 C41 P6 124.3(6) . . ?
C40 C41 C36 118.7(8) . . ?
C36 C41 P6 116.9(6) . . ?
N10 C117 C118 109.9(6) . . ?
N10 C117 H117 125.0 . . ?
C118 C117 H117 125.0 . . ?
C104 C103 H103 120.5 . . ?
C102 C103 C104 119.0(7) . . ?
C102 C103 H103 120.5 . . ?
C90 C91 H91 119.8 . . ?
C92 C91 C90 120.4(7) . . ?
C92 C91 H91 119.8 . . ?
C107 C108 C109 120.3(7) . . ?
C107 C108 H108 119.9 . . ?
C109 C108 H108 119.9 . . ?
C63 C64 P4 124.4(6) . . ?
C59 C64 P4 117.6(6) . . ?
C59 C64 C63 118.0(7) . . ?
C29 C24 P7 117.5(6) . . ?
C25 C24 P7 123.0(6) . . ?
C25 C24 C29 119.4(8) . . ?
C116 C111 P1 117.2(6) . . ?
C116 C111 C112 119.2(7) . . ?
C112 C111 P1 123.5(5) . . ?
C13 C14 H14A 120.6 . . ?
C15 C14 C13 118.8(7) . . ?
C15 C14 H14A 120.6 . . ?
C93 C92 H92 119.9 . . ?
C91 C92 C93 120.2(7) . . ?
C91 C92 H92 119.9 . . ?
C94 C95 H95 119.3 . . ?
C96 C95 C94 121.3(8) . . ?
C96 C95 H95 119.3 . . ?
C93 C88 H88 119.7 . . ?
C93 C88 C89 120.5(7) . . ?
C89 C88 H88 119.7 . . ?
C35 C34 H34 119.0 . . ?
C33 C34 H34 119.0 . . ?
C33 C34 C35 122.0(8) . . ?
C66 C65 P4 117.3(6) . . ?
C70 C65 P4 122.8(6) . . ?
C70 C65 C66 119.8(7) . . ?
C41 C40 H40 119.7 . . ?
C39 C40 C41 120.5(8) . . ?
C123a S3a Ag6 113.0(10) . . ?
C123a S3a Ag2 100.3(9) . . ?
C126b S4b Ag2 114.1(18) . . ?
N19a C123a S3 129.4(16) . . ?
C124a C123a S3 127.2(17) . . ?
C125b C126b N14 100(2) . . ?
N15b N14b H14 121.2 . . ?
C126b N14b H14 121.2 . . ?
N14b N15b N16 101(2) . . ?
C126b C125b N16 111(3) . . ?
N15b N14b C126 118(3) . . ?
N15b N16b C125 109(3) . . ?
C126b C125b H125 124.3 . . ?
N16b C125b H125 124.3 . . ?
C125b C126b S4 139(3) . . ?
N14b C126b S4 120(3) . . ?
N18a N17a C124 116(2) . . ?
N19a C123a C124 103.4(18) . . ?
N17a C124a H124 127.9 . . ?
C123a C124a H124 127.9 . . ?
N18a N19a C123 111(2) . . ?
N17a C124a C123 104.2(17) . . ?
N17a N18a N19 104.9(19) . . ?
C123a N19a H19A 124.3 . . ?
N18a N19a H19A 124.3 . . ?
S4b Ag1 Ag2 45.9(6) . . ?
S3a Ag1 Ag2 54.7(3) . . ?
S4b Ag2 Ag3 158.4(4) . . ?
S3a Ag2 Ag3 162.6(3) . . ?
S3a Ag2 Ag1 62.1(2) . . ?
S4b Ag2 Ag1 65.3(5) . . ?
S3a Ag2 Ag5 101.8(3) . . ?
S4b Ag2 Ag5 96.2(5) . . ?
S4b Ag2 S5 115.1(4) . . ?
AG7b S1 Ag4 146.7(4) . . ?
AG7b S1 Ag5 103.6(4) . . ?
Ag2 S3a Ag1 63.3(3) . . ?
Ag2 S4b Ag1 68.8(4) . . ?
Ag2 S3a Ag6 100.5(5) . . ?
P6 AG6a S1 96.00(7) . . ?
P6 AG6a S3 114.0(3) . . ?
P7 AG6a P6 119.05(7) . . ?
P7 AG7b P6 121.0(4) . . ?
P7 AG6a S1 114.33(8) . . ?
P7 AG6a S3 95.4(2) . . ?
S1 AG7b P6 104.7(4) . . ?
S1 AG7b P7 132.2(6) . . ?
S1 AG6a S3 119.9(3) . . ?
C39 C40 H40 119.7 . . ?
C34 C35 H35 119.7 . . ?
C34 C35 C30 120.7(8) . . ?
C30 C35 H35 119.7 . . ?
C8 C7 H7A 120.1 . . ?
C12 C7 C8 119.9(7) . . ?
C12 C7 H7A 120.1 . . ?
C2 C1 P8 117.1(6) . . ?
C2 C1 C6 118.9(7) . . ?
C6 C1 P8 124.0(6) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 C23 119.4(9) . . ?
C21 C22 H22 120.3 . . ?
C35 C30 P6 124.4(6) . . ?
C35 C30 C31 116.9(7) . . ?
C31 C30 P6 118.7(6) . . ?
C85 C84 H84 119.7 . . ?
C85 C84 C83 120.7(8) . . ?
C83 C84 H84 119.7 . . ?
C111 C116 H116 120.1 . . ?
C111 C116 C115 119.8(8) . . ?
C115 C116 H116 120.1 . . ?
C81 C80 H80 120.0 . . ?
C79 C80 C81 120.1(9) . . ?
C79 C80 H80 120.0 . . ?
C43 C42 H42 120.9 . . ?
C43 C42 C44 118.2(7) . . ?
C44 C42 H42 120.9 . . ?
N13 C121 C122 109.8(7) . . ?
N13 C121 H121 125.1 . . ?
C122 C121 H121 125.1 . . ?
C94 C99 H99 120.0 . . ?
C94 C99 C98 120.1(7) . . ?
C98 C99 H99 120.0 . . ?
C17 C16 H16 120.9 . . ?
C15 C16 C17 118.1(7) . . ?
C15 C16 H16 120.9 . . ?
C114 C113 H113 120.2 . . ?
C114 C113 C112 119.6(8) . . ?
C112 C113 H113 120.2 . . ?
N5 N6 N7 106.4(8) . . ?
C58 C53 P5 117.3(6) . . ?
C58 C53 C54 118.9(8) . . ?
C54 C53 P5 123.8(7) . . ?
C23 C18 H18 119.7 . . ?
C19 C18 C23 120.5(9) . . ?
C19 C18 H18 119.7 . . ?
C90 C89 C88 120.2(7) . . ?
C90 C89 H89 119.9 . . ?
C88 C89 H89 119.9 . . ?
C109 C110 H110 120.2 . . ?
C105 C110 C109 119.5(8) . . ?
C105 C110 H110 120.2 . . ?
C84 C85 H85 119.7 . . ?
C84 C85 C86 120.6(8) . . ?
C86 C85 H85 119.7 . . ?
C40 C39 H39 120.1 . . ?
C38 C39 C40 119.8(9) . . ?
C38 C39 H39 120.1 . . ?
C71 C72 H72 121.1 . . ?
C73 C72 C71 117.9(7) . . ?
C73 C72 H72 121.1 . . ?
C1 C2 H2 119.2 . . ?
C1 C2 C3 121.7(9) . . ?
C3 C2 H2 119.2 . . ?
C76 C77 H77 119.7 . . ?
C78 C77 H77 119.7 . . ?
C78 C77 C76 120.6(8) . . ?
C47 C52 P5 119.1(6) . . ?
C51 C52 P5 122.1(7) . . ?
C51 C52 C47 118.1(8) . . ?
C7 C12 H12 119.6 . . ?
C11 C12 C7 120.7(8) . . ?
C11 C12 H12 119.6 . . ?
C81 C76 H76 119.8 . . ?
C77 C76 C81 120.3(7) . . ?
C77 C76 H76 119.8 . . ?
C64 C63 H63 119.5 . . ?
C62 C63 C64 121.0(8) . . ?
C62 C63 H63 119.5 . . ?
C75 C74 H74 120.6 . . ?
C73 C74 C75 118.8(7) . . ?
C73 C74 H74 120.6 . . ?
N7 C119 S1 127.6(6) . . ?
N7 C119 C120 101.8(8) . . ?
C120 C119 S1 130.6(8) . . ?
C96 C97 H97 120.6 . . ?
C96 C97 C98 118.9(8) . . ?
C98 C97 H97 120.6 . . ?
C46 C45 H45 120.9 . . ?
C44 C45 C46 118.1(7) . . ?
C44 C45 H45 120.9 . . ?
C113 C114 H114 119.6 . . ?
C115 C114 C113 120.8(8) . . ?
C115 C114 H114 119.6 . . ?
C82 C83 H83 120.3 . . ?
C84 C83 C82 119.3(7) . . ?
C84 C83 H83 120.3 . . ?
C1 C6 H6 120.0 . . ?
C1 C6 C5 120.1(9) . . ?
C5 C6 H6 120.0 . . ?
C12 C11 H11 120.1 . . ?
C12 C11 C10 119.7(8) . . ?
C10 C11 H11 120.1 . . ?
C111 C112 H112 119.7 . . ?
C113 C112 C111 120.6(7) . . ?
C113 C112 H112 119.7 . . ?
C101 C102 H102 120.0 . . ?
C103 C102 C101 119.9(7) . . ?
C103 C102 H102 120.0 . . ?
C82 C87 H87 120.0 . . ?
C82 C87 C86 120.0(8) . . ?
C86 C87 H87 120.0 . . ?
C72 C73 H73 119.9 . . ?
C74 C73 C72 120.2(8) . . ?
C74 C73 H73 119.9 . . ?
C14 C15 C16 119.6(7) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C95 C96 C97 120.4(8) . . ?
C95 C96 H96 119.8 . . ?
C97 C96 H96 119.8 . . ?
C65 C66 H66 120.2 . . ?
C65 C66 C67 119.6(9) . . ?
C67 C66 H66 120.2 . . ?
C42 C44 H44 119.9 . . ?
C45 C44 C42 120.1(8) . . ?
C45 C44 H44 119.9 . . ?
C116 C115 H115 120.0 . . ?
C114 C115 C116 119.9(8) . . ?
C114 C115 H115 120.0 . . ?
C30 C31 H31 119.1 . . ?
C32 C31 C30 121.7(8) . . ?
C32 C31 H31 119.1 . . ?
C41 C36 H36 119.8 . . ?
C37 C36 C41 120.4(9) . . ?
C37 C36 H36 119.8 . . ?
C34 C33 H33 120.0 . . ?
C34 C33 C32 120.0(8) . . ?
C32 C33 H33 120.0 . . ?
C9 C10 C11 120.3(8) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C52 C47 H47 119.4 . . ?
C48 C47 C52 121.3(8) . . ?
C48 C47 H47 119.4 . . ?
C6 C5 H5 119.9 . . ?
C4 C5 C6 120.1(9) . . ?
C4 C5 H5 119.9 . . ?
C107 C106 H106 120.6 . . ?
C107 C106 C105 118.8(8) . . ?
C105 C106 H106 120.6 . . ?
C22 C21 H21 119.8 . . ?
C20 C21 C22 120.3(9) . . ?
C20 C21 H21 119.8 . . ?
C99 C98 H98 119.6 . . ?
C97 C98 C99 120.8(8) . . ?
C97 C98 H98 119.6 . . ?
N6 N5 C120 108.5(8) . . ?
C24 C29 H29 119.7 . . ?
C24 C29 C28 120.6(9) . . ?
C28 C29 H29 119.7 . . ?
C5 C4 H4 119.9 . . ?
C5 C4 C3 120.3(8) . . ?
C3 C4 H4 119.9 . . ?
C53 C58 H58 119.7 . . ?
C53 C58 C57 120.6(10) . . ?
C57 C58 H58 119.7 . . ?
C65 C70 H70 119.9 . . ?
C65 C70 C69 120.2(9) . . ?
C69 C70 H70 119.9 . . ?
C110 C105 C106 121.2(8) . . ?
C110 C105 H105 119.4 . . ?
C106 C105 H105 119.4 . . ?
C39 C38 H38 119.8 . . ?
C39 C38 C37 120.4(9) . . ?
C37 C38 H38 119.8 . . ?
C77 C78 H78 120.3 . . ?
C77 C78 C79 119.5(8) . . ?
C79 C78 H78 120.3 . . ?
C31 C32 H32 120.7 . . ?
C33 C32 C31 118.5(9) . . ?
C33 C32 H32 120.7 . . ?
C47 C48 H48 120.2 . . ?
C49 C48 C47 119.5(10) . . ?
C49 C48 H48 120.2 . . ?
C64 C59 H59 119.7 . . ?
C64 C59 C60 120.5(9) . . ?
C60 C59 H59 119.7 . . ?
C18 C19 H19 119.4 . . ?
C20 C19 C18 121.1(10) . . ?
C20 C19 H19 119.4 . . ?
C66 C67 H67 120.2 . . ?
C68 C67 C66 119.5(9) . . ?
C68 C67 H67 120.2 . . ?
C85 C86 C87 119.8(9) . . ?
C85 C86 H86 120.1 . . ?
C87 C86 H86 120.1 . . ?
C63 C62 H62 119.7 . . ?
C63 C62 C61 120.6(9) . . ?
C61 C62 H62 119.7 . . ?
C2 C3 H3 120.5 . . ?
C4 C3 C2 119.0(9) . . ?
C4 C3 H3 120.5 . . ?
C67 C68 H68 119.4 . . ?
C67 C68 C69 121.3(9) . . ?
C69 C68 H68 119.4 . . ?
C21 C20 H20 120.0 . . ?
C19 C20 C21 119.9(9) . . ?
C19 C20 H20 120.0 . . ?
C70 C69 H69 120.2 . . ?
C68 C69 C70 119.6(9) . . ?
C68 C69 H69 120.2 . . ?
C62 C61 H61 120.1 . . ?
C62 C61 C60 119.9(9) . . ?
C60 C61 H61 120.1 . . ?
C80 C79 H79 119.6 . . ?
C78 C79 C80 120.8(9) . . ?
C78 C79 H79 119.6 . . ?
C53 C54 H54 120.4 . . ?
C53 C54 C55 119.2(11) . . ?
C55 C54 H54 120.4 . . ?
C29 C28 H28 120.0 . . ?
C27 C28 C29 120.1(10) . . ?
C27 C28 H28 120.0 . . ?
C52 C51 H51 119.6 . . ?
C50 C51 C52 120.7(10) . . ?
C50 C51 H51 119.6 . . ?
C36 C37 C38 120.1(9) . . ?
C36 C37 H37 120.0 . . ?
C38 C37 H37 120.0 . . ?
C24 C25 H25 119.8 . . ?
C24 C25 C26 120.4(10) . . ?
C26 C25 H25 119.8 . . ?
C119 C120 H120 125.0 . . ?
N5 C120 C119 109.9(9) . . ?
N5 C120 H120 125.0 . . ?
C48 C49 H49 120.2 . . ?
C50 C49 C48 119.7(10) . . ?
C50 C49 H49 120.2 . . ?
C51 C50 C49 120.7(10) . . ?
C51 C50 H50 119.7 . . ?
C49 C50 H50 119.7 . . ?
C54 C55 H55 119.8 . . ?
C56 C55 C54 120.3(11) . . ?
C56 C55 H55 119.8 . . ?
C28 C27 H27 119.8 . . ?
C28 C27 C26 120.4(9) . . ?
C26 C27 H27 119.8 . . ?
C55 C56 H56 119.1 . . ?
C55 C56 C57 121.9(11) . . ?
C57 C56 H56 119.1 . . ?
C58 C57 H57 120.5 . . ?
C56 C57 C58 119.1(12) . . ?
C56 C57 H57 120.5 . . ?
C59 C60 H60 120.1 . . ?
C61 C60 C59 119.9(10) . . ?
C61 C60 H60 120.1 . . ?
C25 C26 H26 120.5 . . ?
C27 C26 C25 118.9(11) . . ?
C27 C26 H26 120.5 . . ?
H1A O1 H1B 109.5 . . ?
H2A O2 H2B 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
S3a C123a N19a N18a -180(2) . . . . ?
S4b C126b C125b N16b 179(4) . . . . ?
AG6a S3a C123a N19a -77(3) . . . . ?
C124a N17a N18a N19a 5(3) . . . . ?
N17a C124a C123a N19a 0(2) . . . . ?
C123a N19a N18a N17a -5(3) . . . . ?
C123a C124a N17a N18a -3(3) . . . . ?
N15b N14b C126b C125b -2(4) . . . . ?
N15b N16b C125b C126b 4(4) . . . . ?
C124a C123a N19a N18a 3(3) . . . . ?
N17a C124a C123a S3a -177.5(19) . . . . ?
C126b N14b N15b N16b 5(4) . . . . ?
AG6a S3a C123a C124a 99(2) . . . . ?
C125b N16b N15b N14b -5(3) . . . . ?
N14b C126b C125b N16b -1(4) . . . . ?
N15b N14b C126b S4b 178(3) . . . . ?
N14b C126b S4b Ag1 96(4) . . . . ?
C125b C126b S4b Ag1 -84(5) . . . . ?
C125b C126b S4b Ag2 -154(5) . . . . ?
N14b C126b S4b Ag2 26(4) . . . . ?
Ag3 S5 C118 N8 -54.2(6) . . . . ?
Ag3 S5 C118 C117 125.0(7) . . . . ?
Ag3 P2 C93 C92 -177.3(5) . . . . ?
Ag3 P2 C93 C88 4.0(7) . . . . ?
Ag3 P2 C104 N4 53.1(5) . . . . ?
Ag3 P2 C104 C103 -118.3(6) . . . . ?
Ag3 P2 C94 C95 108.6(6) . . . . ?
Ag3 P2 C94 C99 -63.8(6) . . . . ?
Ag3 P3 C75 N2 72.8(5) . . . . ?
Ag3 P3 C75 C74 -96.6(6) . . . . ?
Ag3 P3 C81 C80 101.4(6) . . . . ?
Ag3 P3 C81 C76 -66.6(6) . . . . ?
Ag3 P3 C82 C83 160.4(5) . . . . ?
Ag3 P3 C82 C87 -21.9(8) . . . . ?
Ag3 S2 C122 N11 -53.1(6) . . . . ?
Ag3 S2 C122 C121 123.6(7) . . . . ?
AG7b P7 C17 N1 79.3(7) . . . . ?
AG6a P7 C17 N1 62.6(5) . . . . ?
AG6a P7 C17 C16 -112.3(6) . . . . ?
AG7b P7 C17 C16 -95.7(8) . . . . ?
AG7b P6 C43 N3 43.4(8) . . . . ?
AG6a P6 C43 N3 60.0(5) . . . . ?
AG6a P6 C43 C42 -114.5(6) . . . . ?
AG7b P6 C43 C42 -131.2(8) . . . . ?
Ag4 P4 C71 N2 -65.6(5) . . . . ?
Ag4 P4 C71 C72 106.0(7) . . . . ?
Ag4 P4 C64 C63 136.8(7) . . . . ?
Ag4 P4 C64 C59 -44.6(8) . . . . ?
Ag4 P4 C65 C66 24.7(8) . . . . ?
Ag4 P4 C65 C70 -158.3(6) . . . . ?
Ag4 S2 C122 N11 96.6(6) . . . . ?
Ag4 S2 C122 C121 -86.6(7) . . . . ?
Ag4 P5 C46 N3 -48.7(6) . . . . ?
Ag4 P5 C46 C45 126.1(6) . . . . ?
Ag4 P5 C53 C58 -9.8(8) . . . . ?
Ag4 P5 C53 C54 170.8(7) . . . . ?
Ag4 P5 C52 C47 64.4(7) . . . . ?
Ag4 P5 C52 C51 -106.0(8) . . . . ?
Ag4 S1 C119 N7 103.9(7) . . . . ?
Ag4 S1 C119 C120 -75.6(9) . . . . ?
Ag1 S3a C123a N19a 94(2) . . . . ?
Ag1 S3a C123a C124a -89(2) . . . . ?
Ag1 S5 C118 N8 90.8(6) . . . . ?
Ag1 S5 C118 C117 -90.0(8) . . . . ?
Ag1 P1 C100 N4 -62.1(5) . . . . ?
Ag1 P1 C100 C101 110.1(6) . . . . ?
Ag1 P1 C109 C108 158.5(5) . . . . ?
Ag1 P1 C109 C110 -28.8(7) . . . . ?
Ag1 P1 C111 C116 -47.5(6) . . . . ?
Ag1 P1 C111 C112 136.2(6) . . . . ?
Ag1 P8 C8 C9 162.4(6) . . . . ?
Ag1 P8 C8 C7 -17.1(7) . . . . ?
Ag1 P8 C13 N1 -59.4(5) . . . . ?
Ag1 P8 C13 C14 115.2(6) . . . . ?
Ag1 P8 C1 C2 -38.2(7) . . . . ?
Ag1 P8 C1 C6 143.5(6) . . . . ?
Ag5 S2 C122 N11 26.4(6) . . . . ?
AG7b P7 C23 C22 -168.6(7) . . . . ?
AG6a P7 C23 C22 -154.8(6) . . . . ?
AG7b P7 C23 C18 13.4(9) . . . . ?
AG6a P7 C23 C18 27.2(7) . . . . ?
Ag5 S2 C122 C121 -156.9(7) . . . . ?
Ag5 S1 C119 N7 34.6(7) . . . . ?
Ag5 S1 C119 C120 -145.0(8) . . . . ?
Ag5 N8 N9 N10 165.9(6) . . . . ?
Ag5 N8 C118 S5 15.0(10) . . . . ?
AG6a P6 C41 C40 -139.1(6) . . . . ?
AG7b P6 C41 C40 -135.7(7) . . . . ?
AG7b P6 C41 C36 48.5(6) . . . . ?
AG6a P6 C41 C36 45.2(6) . . . . ?
Ag5 N8 C118 C117 -164.3(6) . . . . ?
Ag2 S3a C123a C124a -154.4(18) . . . . ?
Ag2 S3a C123a N19a 29(3) . . . . ?
Ag2 S5 C118 N8 22.7(6) . . . . ?
Ag2 S5 C118 C117 -158.1(7) . . . . ?
Ag2 N11 N12 N13 164.3(5) . . . . ?
Ag2 N11 C122 S2 13.2(9) . . . . ?
Ag2 N11 C122 C121 -164.3(5) . . . . ?
S5 C118 C117 N10 180.0(6) . . . . ?
P2 C93 C92 C91 -178.0(6) . . . . ?
P2 C93 C88 C89 178.2(6) . . . . ?
P2 C104 C103 C102 173.0(6) . . . . ?
P2 C94 C95 C96 -173.3(6) . . . . ?
P2 C94 C99 C98 173.4(6) . . . . ?
P1 C100 C101 C102 -172.1(6) . . . . ?
P1 C109 C108 C107 172.8(6) . . . . ?
P1 C109 C110 C105 -172.2(7) . . . . ?
P1 C111 C116 C115 -176.4(6) . . . . ?
P1 C111 C112 C113 177.1(6) . . . . ?
P8 C8 C9 C10 -178.0(6) . . . . ?
P8 C8 C7 C12 177.4(6) . . . . ?
P8 C13 C14 C15 -173.2(6) . . . . ?
P8 C1 C2 C3 -178.5(7) . . . . ?
P8 C1 C6 C5 178.3(6) . . . . ?
P3 C75 C74 C73 170.4(7) . . . . ?
P3 C81 C80 C79 -168.5(8) . . . . ?
P3 C81 C76 C77 169.3(6) . . . . ?
P3 C82 C83 C84 178.7(6) . . . . ?
P3 C82 C87 C86 -176.6(8) . . . . ?
P4 C71 C72 C73 -171.3(7) . . . . ?
P4 C64 C63 C62 179.9(7) . . . . ?
P4 C64 C59 C60 179.9(9) . . . . ?
P4 C65 C66 C67 177.2(8) . . . . ?
P4 C65 C70 C69 -178.3(7) . . . . ?
S2 C122 C121 N13 -178.4(6) . . . . ?
P6 C43 C42 C44 173.8(6) . . . . ?
P6 C41 C40 C39 -173.5(6) . . . . ?
P6 C41 C36 C37 172.6(7) . . . . ?
P6 C30 C31 C32 -179.8(7) . . . . ?
P7 C17 C16 C15 174.9(6) . . . . ?
P7 C23 C22 C21 -175.1(6) . . . . ?
P7 C23 C18 C19 174.7(8) . . . . ?
P7 C24 C29 C28 -178.0(8) . . . . ?
P7 C24 C25 C26 178.1(10) . . . . ?
P5 C46 C45 C44 -173.7(6) . . . . ?
P5 C53 C58 C57 -179.5(9) . . . . ?
P5 C53 C54 C55 -179.3(9) . . . . ?
P5 C52 C47 C48 -171.2(7) . . . . ?
P5 C52 C51 C50 170.1(9) . . . . ?
S1 C119 C120 N5 178.1(7) . . . . ?
N4 C100 C101 C102 -0.5(11) . . . . ?
N4 C104 C103 C102 2.2(11) . . . . ?
N1 C13 C14 C15 0.8(12) . . . . ?
N1 C17 C16 C15 0.5(11) . . . . ?
N8 C118 C117 N10 -0.8(9) . . . . ?
N2 C71 C72 C73 -0.7(12) . . . . ?
N2 C75 C74 C73 1.9(12) . . . . ?
N3 C43 C42 C44 -0.2(12) . . . . ?
N3 C46 C45 C44 0.6(12) . . . . ?
N11 C122 C121 N13 -1.2(9) . . . . ?
N7 N6 N5 C120 -0.1(11) . . . . ?
N7 C119 C120 N5 -1.5(11) . . . . ?
C100 P1 C109 C108 -78.9(6) . . . . ?
C100 P1 C109 C110 93.8(6) . . . . ?
C100 P1 C111 C116 -169.5(6) . . . . ?
C100 P1 C111 C112 14.2(7) . . . . ?
C100 N4 C104 P2 -174.9(5) . . . . ?
C100 N4 C104 C103 -3.1(9) . . . . ?
C100 C101 C102 C103 -0.4(12) . . . . ?
N12 N11 C122 S2 179.1(5) . . . . ?
N12 N11 C122 C121 1.6(8) . . . . ?
N12 N13 C121 C122 0.5(9) . . . . ?
C93 P2 C104 N4 -175.6(5) . . . . ?
C93 P2 C104 C103 13.0(7) . . . . ?
C93 P2 C94 C95 -23.8(7) . . . . ?
C93 P2 C94 C99 163.8(6) . . . . ?
C93 C88 C89 C90 0.1(11) . . . . ?
C104 P2 C93 C92 59.3(6) . . . . ?
C104 P2 C93 C88 -119.5(6) . . . . ?
C104 P2 C94 C95 -133.2(6) . . . . ?
C104 P2 C94 C99 54.5(6) . . . . ?
C104 N4 C100 P1 174.6(5) . . . . ?
C104 N4 C100 C101 2.3(9) . . . . ?
C104 C103 C102 C101 -0.4(12) . . . . ?
C94 P2 C93 C92 -52.2(7) . . . . ?
C94 P2 C93 C88 129.1(6) . . . . ?
C94 P2 C104 N4 -65.4(5) . . . . ?
C94 P2 C104 C103 123.1(6) . . . . ?
C94 C95 C96 C97 -0.2(13) . . . . ?
C94 C99 C98 C97 -0.1(12) . . . . ?
N9 N8 C118 S5 -179.9(6) . . . . ?
N9 N8 C118 C117 0.7(9) . . . . ?
N9 N10 C117 C118 0.5(10) . . . . ?
C8 P8 C13 N1 172.3(5) . . . . ?
C8 P8 C13 C14 -13.1(7) . . . . ?
C8 P8 C1 C2 88.3(6) . . . . ?
C8 P8 C1 C6 -89.9(7) . . . . ?
C8 C9 C10 C11 0.2(13) . . . . ?
C8 C7 C12 C11 1.2(12) . . . . ?
C71 P4 C64 C63 20.8(8) . . . . ?
C71 P4 C64 C59 -160.6(7) . . . . ?
C71 P4 C65 C66 147.3(7) . . . . ?
C71 P4 C65 C70 -35.7(8) . . . . ?
C71 N2 C75 P3 -171.5(5) . . . . ?
C71 N2 C75 C74 -2.0(10) . . . . ?
C71 C72 C73 C74 0.6(14) . . . . ?
C13 P8 C8 C9 -70.7(7) . . . . ?
C13 P8 C8 C7 109.9(6) . . . . ?
C13 P8 C1 C2 -162.8(6) . . . . ?
C13 P8 C1 C6 18.9(7) . . . . ?
C13 N1 C17 P7 -176.0(5) . . . . ?
C13 N1 C17 C16 -0.9(10) . . . . ?
C13 C14 C15 C16 -1.2(13) . . . . ?
C75 P3 C81 C80 -140.5(7) . . . . ?
C75 P3 C81 C76 51.5(7) . . . . ?
C75 P3 C82 C83 35.6(7) . . . . ?
C75 P3 C82 C87 -146.7(7) . . . . ?
C75 N2 C71 P4 173.4(5) . . . . ?
C75 N2 C71 C72 1.4(10) . . . . ?
C75 C74 C73 C72 -1.1(14) . . . . ?
C122 N11 N12 N13 -1.4(8) . . . . ?
C81 P3 C75 N2 -44.7(6) . . . . ?
C81 P3 C75 C74 146.0(6) . . . . ?
C81 P3 C82 C83 -77.7(7) . . . . ?
C81 P3 C82 C87 99.9(7) . . . . ?
C81 C80 C79 C78 0.3(17) . . . . ?
C17 P7 C23 C22 -33.1(7) . . . . ?
C17 P7 C23 C18 148.9(6) . . . . ?
C17 P7 C24 C29 -100.9(7) . . . . ?
C17 P7 C24 C25 81.5(9) . . . . ?
C17 N1 C13 P8 174.9(5) . . . . ?
C17 N1 C13 C14 0.2(10) . . . . ?
C17 C16 C15 C14 0.6(13) . . . . ?
C82 P3 C75 N2 -154.5(5) . . . . ?
C82 P3 C75 C74 36.1(7) . . . . ?
C82 P3 C81 C80 -29.4(7) . . . . ?
C82 P3 C81 C76 162.5(6) . . . . ?
C82 C87 C86 C85 -3.1(17) . . . . ?
C118 N8 N9 N10 -0.4(9) . . . . ?
C107 C106 C105 C110 -0.2(16) . . . . ?
C43 P6 C41 C40 -15.3(7) . . . . ?
C43 P6 C41 C36 168.9(6) . . . . ?
AG6a P7 C24 C29 25.6(7) . . . . ?
AG7b P7 C24 C29 22.7(7) . . . . ?
AG7b P7 C24 C25 -154.9(9) . . . . ?
AG6a P7 C24 C25 -152.0(8) . . . . ?
C43 P6 C30 C35 105.0(7) . . . . ?
C43 P6 C30 C31 -76.6(7) . . . . ?
C43 N3 C46 P5 175.3(5) . . . . ?
C43 N3 C46 C45 0.4(10) . . . . ?
C43 C42 C44 C45 1.1(12) . . . . ?
C90 C91 C92 C93 -0.4(11) . . . . ?
C46 P5 C53 C58 115.7(7) . . . . ?
C46 P5 C53 C54 -63.8(9) . . . . ?
C46 P5 C52 C47 -56.4(7) . . . . ?
C46 P5 C52 C51 133.2(8) . . . . ?
C46 N3 C43 P6 -175.3(5) . . . . ?
C46 N3 C43 C42 -0.6(10) . . . . ?
C46 C45 C44 C42 -1.3(12) . . . . ?
C23 P7 C17 N1 -58.5(5) . . . . ?
C23 P7 C17 C16 126.6(6) . . . . ?
C23 P7 C24 C29 150.7(7) . . . . ?
C23 P7 C24 C25 -26.9(9) . . . . ?
C23 C22 C21 C20 -1.5(13) . . . . ?
C23 C18 C19 C20 2.5(15) . . . . ?
C109 P1 C100 N4 169.1(5) . . . . ?
C109 P1 C100 C101 -18.7(7) . . . . ?
C109 P1 C111 C116 85.1(6) . . . . ?
C109 P1 C111 C112 -91.2(6) . . . . ?
C109 C110 C105 C106 -0.8(15) . . . . ?
C9 C8 C7 C12 -2.1(11) . . . . ?
C41 P6 C43 N3 -63.6(5) . . . . ?
C41 P6 C43 C42 121.8(7) . . . . ?
C41 P6 C30 C35 -3.0(7) . . . . ?
C41 P6 C30 C31 175.5(6) . . . . ?
C41 C40 C39 C38 0.8(12) . . . . ?
C41 C36 C37 C38 1.6(14) . . . . ?
C117 N10 N9 N8 -0.1(10) . . . . ?
C91 C90 C89 C88 0.3(11) . . . . ?
C108 C107 C106 C105 1.3(13) . . . . ?
C108 C109 C110 C105 0.8(12) . . . . ?
C64 P4 C71 N2 55.4(5) . . . . ?
C64 P4 C71 C72 -133.1(7) . . . . ?
C64 P4 C65 C66 -103.3(7) . . . . ?
C64 P4 C65 C70 73.7(8) . . . . ?
C64 C63 C62 C61 -0.2(15) . . . . ?
C64 C59 C60 C61 0.4(19) . . . . ?
C24 P7 C17 N1 -167.2(5) . . . . ?
C24 P7 C17 C16 17.8(7) . . . . ?
C24 P7 C23 C22 76.0(7) . . . . ?
C24 P7 C23 C18 -102.0(6) . . . . ?
C24 C29 C28 C27 2.0(16) . . . . ?
C24 C25 C26 C27 -3(2) . . . . ?
C111 P1 C100 N4 62.1(5) . . . . ?
C111 P1 C100 C101 -125.7(6) . . . . ?
C111 P1 C109 C108 29.4(6) . . . . ?
C111 P1 C109 C110 -157.9(6) . . . . ?
C111 C116 C115 C114 0.5(13) . . . . ?
C92 C93 C88 C89 -0.6(11) . . . . ?
C95 C94 C99 C98 0.9(11) . . . . ?
C88 C93 C92 C91 0.7(11) . . . . ?
C34 C35 C30 P6 177.9(6) . . . . ?
C34 C35 C30 C31 -0.6(12) . . . . ?
C34 C33 C32 C31 -2.4(15) . . . . ?
C65 P4 C71 N2 163.7(5) . . . . ?
C65 P4 C71 C72 -24.7(8) . . . . ?
C65 P4 C64 C63 -91.2(8) . . . . ?
C65 P4 C64 C59 87.4(8) . . . . ?
C65 C66 C67 C68 0.9(16) . . . . ?
C65 C70 C69 C68 1.5(15) . . . . ?
C40 C41 C36 C37 -3.4(12) . . . . ?
C40 C39 C38 C37 -2.6(13) . . . . ?
C35 C34 C33 C32 0.6(15) . . . . ?
C35 C30 C31 C32 -1.3(13) . . . . ?
C7 C8 C9 C10 1.5(12) . . . . ?
C7 C12 C11 C10 0.5(13) . . . . ?
C1 P8 C8 C9 38.1(7) . . . . ?
C1 P8 C8 C7 -141.4(6) . . . . ?
C1 P8 C13 N1 64.3(5) . . . . ?
C1 P8 C13 C14 -121.1(7) . . . . ?
C1 C2 C3 C4 0.0(14) . . . . ?
C1 C6 C5 C4 0.1(13) . . . . ?
C22 C23 C18 C19 -3.4(13) . . . . ?
C22 C21 C20 C19 0.5(15) . . . . ?
C30 P6 C43 N3 -169.5(5) . . . . ?
C30 P6 C43 C42 16.0(7) . . . . ?
C30 P6 C41 C40 92.0(7) . . . . ?
C30 P6 C41 C36 -83.8(6) . . . . ?
C30 C31 C32 C33 2.7(15) . . . . ?
C84 C85 C86 C87 2.8(17) . . . . ?
C116 C111 C112 C113 0.9(11) . . . . ?
C80 C81 C76 C77 1.2(12) . . . . ?
C121 N13 N12 N11 0.5(8) . . . . ?
C99 C94 C95 C96 -0.8(11) . . . . ?
C113 C114 C115 C116 -2.0(13) . . . . ?
N6 N7 C119 S1 -178.2(6) . . . . ?
N6 N7 C119 C120 1.5(9) . . . . ?
N6 N5 C120 C119 1.1(13) . . . . ?
C53 P5 C46 N3 -177.1(5) . . . . ?
AG7b P6 C30 C35 -113.3(8) . . . . ?
AG6a P6 C30 C35 -128.1(6) . . . . ?
AG6a P6 C30 C31 50.4(7) . . . . ?
AG7b P6 C30 C31 65.1(9) . . . . ?
C53 P5 C46 C45 -2.3(8) . . . . ?
C53 P5 C52 C47 -168.8(6) . . . . ?
C53 P5 C52 C51 20.8(9) . . . . ?
C53 C58 C57 C56 -2.4(19) . . . . ?
C53 C54 C55 C56 -0.1(19) . . . . ?
C18 C23 C22 C21 2.9(12) . . . . ?
C18 C19 C20 C21 -1.0(16) . . . . ?
C89 C90 C91 C92 -0.1(11) . . . . ?
C110 C109 C108 C107 0.2(11) . . . . ?
C85 C84 C83 C82 -1.4(13) . . . . ?
C39 C38 C37 C36 1.4(14) . . . . ?
C2 C1 C6 C5 0.1(12) . . . . ?
C77 C78 C79 C80 -1.6(17) . . . . ?
C52 P5 C46 N3 69.9(6) . . . . ?
C52 P5 C46 C45 -115.4(7) . . . . ?
C52 P5 C53 C58 -131.4(7) . . . . ?
C52 P5 C53 C54 49.2(9) . . . . ?
C52 C47 C48 C49 1.2(15) . . . . ?
C52 C51 C50 C49 1(2) . . . . ?
C12 C11 C10 C9 -1.2(13) . . . . ?
C76 C81 C80 C79 -0.1(14) . . . . ?
C76 C77 C78 C79 2.7(15) . . . . ?
C63 C64 C59 C60 -1.4(15) . . . . ?
C63 C62 C61 C60 -0.9(17) . . . . ?
C119 N7 N6 N5 -0.9(10) . . . . ?
C114 C113 C112 C111 -2.3(12) . . . . ?
C83 C82 C87 C86 1.1(14) . . . . ?
C83 C84 C85 C86 -0.6(15) . . . . ?
C6 C1 C2 C3 -0.1(12) . . . . ?
AG6a S1 C119 N7 -63.0(7) . . . . ?
AG7b S1 C119 N7 -73.9(8) . . . . ?
AG7b S1 C119 C120 106.5(9) . . . . ?
AG6a S1 C119 C120 117.4(8) . . . . ?
C6 C5 C4 C3 -0.3(14) . . . . ?
C112 C111 C116 C115 0.0(11) . . . . ?
C112 C113 C114 C115 2.9(13) . . . . ?
C87 C82 C83 C84 1.1(12) . . . . ?
C96 C97 C98 C99 -0.8(13) . . . . ?
C66 C65 C70 C69 -1.3(13) . . . . ?
C66 C67 C68 C69 -0.7(17) . . . . ?
C36 C41 C40 C39 2.2(11) . . . . ?
C33 C34 C35 C30 1.0(14) . . . . ?
C47 C52 C51 C50 -0.5(15) . . . . ?
C47 C48 C49 C50 -1.1(17) . . . . ?
C5 C4 C3 C2 0.2(14) . . . . ?
C106 C107 C108 C109 -1.2(11) . . . . ?
C98 C97 C96 C95 0.9(13) . . . . ?
C29 C24 C25 C26 0.5(17) . . . . ?
C29 C28 C27 C26 -4.1(18) . . . . ?
C58 C53 C54 C55 1.3(15) . . . . ?
C70 C65 C66 C67 0.1(14) . . . . ?
C78 C77 C76 C81 -2.5(13) . . . . ?
C48 C49 C50 C51 0(2) . . . . ?
C59 C64 C63 C62 1.3(13) . . . . ?
C67 C68 C69 C70 -0.5(17) . . . . ?
C62 C61 C60 C59 0.7(19) . . . . ?
C54 C53 C58 C57 0.0(15) . . . . ?
C54 C55 C56 C57 -3(2) . . . . ?
C28 C27 C26 C25 4(2) . . . . ?
C51 C52 C47 C48 -0.4(13) . . . . ?
C25 C24 C29 C28 -0.3(15) . . . . ?
C55 C56 C57 C58 4(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 0.207 0.261 0.759 244.3 56.3 ?
2 -0.207 0.739 0.241 244.3 52.1 ?
3 0.192 0.644 0.040 44.6 0.5 ?
4 0.500 1.000 0.500 22.8 0.6 ?
5 0.808 0.356 0.960 44.6 0.6 ?


_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.756
_oxdiff_exptl_absorpt_empirical_full_min 0.431
