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

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

data_NC_a
_database_code_depnum_ccdc_archive 'CCDC 2095834'
loop_
_audit_author_name
_audit_author_address
'Si Li'
;ZhengZhou University
China
;
_audit_update_record             
;
2021-09-27 deposited with the CCDC.	2021-09-29 downloaded from the CCDC.
;
_audit_creation_date             2021-08-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C78 H90 Ag12 N6 O18 S12, 4(H2 O)'
_chemical_formula_sum            'C78 H98 Ag12 N6 O22 S12'
_chemical_formula_weight         3150.78
_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'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   15.88620(10)
_cell_length_b                   12.60960(10)
_cell_length_c                   25.3661(2)
_cell_angle_alpha                90
_cell_angle_beta                 94.1890(10)
_cell_angle_gamma                90
_cell_volume                     5067.73(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    14409
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      73.4090
_cell_measurement_theta_min      3.5000
_shelx_estimated_absorpt_T_max   0.743
_shelx_estimated_absorpt_T_min   0.571
_exptl_absorpt_coefficient_mu    21.029
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64438
_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_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.065
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             3080
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.015
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_av_unetI/netI     0.0399
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            26038
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.765
_diffrn_reflns_theta_min         3.494
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -82.00 -39.00   0.50    0.50    --    0.00   0.00   0.00   86
  2  ω     50.00  86.00   0.50    0.50    --    0.00  57.00-120.00   72
  3  ω    -18.00  25.00   0.50    0.50    --    0.00  57.00-120.00   86
  4  ω     20.00  66.00   0.50    0.60    --   97.20 -82.00  30.00   92
  5  ω     75.00 138.00   0.50    0.60    --   97.20  82.00 -30.00  126
  6  ω     33.00 119.00   0.50    0.60    --   97.20 -82.00  90.00  172
  7  ω     74.00 174.00   0.50    0.60    --   97.20  45.00 -60.00  200
  8  ω     38.00 115.00   0.50    0.60    --   97.20 -82.00 -30.00  154
  9  ω     28.00 111.00   0.50    0.60    --   97.20 -61.00  90.00  166
 10  ω     70.00 106.00   0.50    0.60    --   97.20 -82.00  30.00   72
 11  ω     85.00 183.00   0.50    0.60    --   97.20  45.00-150.00  196
;
_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      -0.0960799000
_diffrn_orient_matrix_UB_12      0.0158557000
_diffrn_orient_matrix_UB_13      -0.0092839000
_diffrn_orient_matrix_UB_21      -0.0126828000
_diffrn_orient_matrix_UB_22      -0.1211282000
_diffrn_orient_matrix_UB_23      -0.0001923000
_diffrn_orient_matrix_UB_31      -0.0076887000
_diffrn_orient_matrix_UB_32      0.0020796000
_diffrn_orient_matrix_UB_33      0.0601908000
_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                8865
_reflns_number_total             9910
_reflns_odcompleteness_completeness 99.07
_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.
 
 _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         0.770
_refine_diff_density_min         -1.637
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     825
_refine_ls_number_reflns         9910
_refine_ls_number_restraints     709
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0323
_refine_ls_restrained_S_all      1.042
_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)+(0.0407P)²+4.9308P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0827
_refine_ls_wR_factor_ref         0.0850
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 C8-C4 \\sim C8-C20 \\sim C4-C18 \\sim C25-C18 \\sim C28-C20 \\sim C28-C25
\\sim C49-C4 \\sim C49-C50 ~
 C51-C50 \\sim C51-C52 \\sim C52-C53 \\sim C4-C53
 with sigma of 0.01
 C5-C13 \\sim C5-C32 \\sim C5-C41 \\sim C41-C40 \\sim C39-C32 \\sim C42-C39
\\sim C40-C33 \\sim C33-C30 ~
 C43-C42 \\sim C43-C13 \\sim C30-C13
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
O7 \\sim O8 \\sim O9 \\sim O10 \\sim O11 \\sim O12: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
C31 \\sim C34 \\sim C35 \\sim C36 \\sim C38 \\sim C44 \\sim C45 \\sim C46 \\sim
C47 \\sim C48: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C39 \\sim C42 \\sim C43: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C4 \\sim C8 \\sim C18 \\sim C20 \\sim C25 \\sim C28 \\sim C49 \\sim C50 \\sim
C51 \\sim C52 \\sim C53: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C13 \\sim C30 \\sim C32 \\sim C33 \\sim C39 \\sim C40 \\sim C41 \\sim C42 \\sim
C43: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C10 \\sim C22 \\sim C23 \\sim C24 \\sim C29 \\sim C54 \\sim C55 \\sim C56 \\sim
C57 \\sim C58: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Ag4 \\sim Ag8: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
O15 \\sim O16: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
O13 \\sim O14: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N4) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Sof(Ag7)=1-FVAR(1)
 Sof(Ag5)=FVAR(1)
 Sof(Ag8)=1-FVAR(2)
 Sof(Ag4)=FVAR(2)
 Sof(C44)=Sof(H44)=Sof(C45)=Sof(H45)=Sof(C46)=Sof(H46)=Sof(C47)=Sof(H47)=
 Sof(C48)=Sof(H48)=Sof(N4)=1-FVAR(3)
 Sof(C31)=Sof(H31)=Sof(C34)=Sof(H34)=Sof(C35)=Sof(H35)=Sof(C36)=Sof(H36)=
 Sof(C38)=Sof(H38)=Sof(N3)=FVAR(3)
 Sof(C49)=Sof(H49)=Sof(C50)=Sof(H50)=Sof(C51)=Sof(H51)=Sof(C52)=Sof(H52)=
 Sof(C53)=Sof(H53)=1-FVAR(4)
 Sof(C8)=Sof(H8)=Sof(C18)=Sof(H18)=Sof(C20)=Sof(H20)=Sof(C25)=Sof(H25)=
 Sof(C28)=Sof(H28)=FVAR(4)
 Sof(C54)=Sof(H54)=Sof(C55)=Sof(H55)=Sof(C56)=Sof(H56)=Sof(C57)=Sof(H57)=
 Sof(C58)=Sof(H58)=1-FVAR(5)
 Sof(C10)=Sof(H10)=Sof(C22)=Sof(H22)=Sof(C23)=Sof(H23)=Sof(C24)=Sof(H24)=
 Sof(C29)=Sof(H29)=FVAR(5)
 Fixed Sof: H13A(0.5) H13(0.5) C30(0.5) H30(0.5) C32(0.5) H32(0.5) C33(0.5)
 H33(0.5) C39(0.5) H39(0.5) C40(0.5) H40(0.5) C41(0.5) H41(0.5) C42(0.5)
 H42(0.5) C43(0.5) H43(0.5) O7(0.6) O8(0.6) O9(0.6) O10(0.4) O11(0.4) O12(0.4)
 O13(0.75) H13B(0.75) H13C(0.75) O14(0.25) H14D(0.25) H14E(0.25) O15(0.75)
 H15A(0.75) H15B(0.75) O16(0.25) H16A(0.25) H16B(0.25)
5.a Everything fixed:
 O14, H14D, H14E, O16, H16A, H16B
5.b Free rotating group:
 O13(H13B,H13C), O15(H15A,H15B)
5.c Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C6(H6A,H6B)
5.d Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C13(H13A), C13(H13),
 C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23),
  C24(H24), C25(H25), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30),
 C31(H31), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C38(H38), C39(H39),
  C40(H40), C41(H41), C42(H42), C43(H43), C44(H44), C45(H45), C46(H46),
 C47(H47), C48(H48), C49(H49), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54),
  C55(H55), C56(H56), C57(H57), C58(H58)
5.e Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C19(H19A,H19B,H19C), C37(H37A,H37B,H37C)
;
_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
Ag1 Ag 0.49712(2) 0.54957(2) 0.40352(2) 0.03345(8) Uani 1 1 d . . . . .
Ag2 Ag 0.51894(2) 0.68666(2) 0.49441(2) 0.03366(8) Uani 1 1 d . . . . .
Ag3 Ag 0.35403(2) 0.58474(2) 0.46739(2) 0.03785(8) Uani 1 1 d . . . . .
Ag4 Ag 0.71919(13) 0.6503(3) 0.52633(8) 0.0450(4) Uani 0.77(2) 1 d . U P A 1
Ag5 Ag 0.5104(2) 0.6844(3) 0.62038(16) 0.0495(4) Uani 0.71(3) 1 d . . P A 1
Ag6 Ag 0.69084(3) 0.45497(3) 0.40620(2) 0.06565(12) Uani 1 1 d . . . . .
Ag7 Ag 0.5221(12) 0.6975(14) 0.6133(7) 0.060(2) Uani 0.29(3) 1 d . . P A 2
Ag8 Ag 0.7117(7) 0.6743(15) 0.5267(3) 0.0662(18) Uani 0.23(2) 1 d . U P A 2
C1 C 0.3137(3) 0.8605(3) 0.58746(16) 0.0370(8) Uani 1 1 d . . . . .
C2 C 0.3434(3) 0.8173(3) 0.53711(16) 0.0424(9) Uani 1 1 d . . . . .
H2A H 0.3839 0.8675 0.5228 0.051 Uiso 1 1 calc R . . . .
H2B H 0.2947 0.8096 0.5107 0.051 Uiso 1 1 calc R . . . .
C3 C 0.6527(2) 0.7417(3) 0.39354(15) 0.0376(9) Uani 1 1 d . . . . .
H3A H 0.6304 0.7233 0.3572 0.045 Uiso 1 1 calc R . . . .
H3B H 0.6222 0.8055 0.4047 0.045 Uiso 1 1 calc R . . . .
C4 C 0.2621(2) 0.3927(3) 0.31417(14) 0.0399(9) Uani 1 1 d D U . . .
C5 C 0.7450(3) 0.7663(3) 0.39347(18) 0.0455(10) Uani 1 1 d D . . . .
C6 C 0.3025(3) 0.4842(4) 0.34440(16) 0.0404(9) Uani 1 1 d . . . . .
H6A H 0.2581 0.5329 0.3553 0.048 Uiso 1 1 calc R . . . .
H6B H 0.3387 0.5240 0.3212 0.048 Uiso 1 1 calc R . . . .
C7 C 0.3680(3) 0.9175(4) 0.6216(2) 0.0552(12) Uani 1 1 d . . . . .
H7 H 0.4241 0.9306 0.6128 0.066 Uiso 1 1 calc R . . . .
C8 C 0.1943(5) 0.3432(7) 0.3366(3) 0.0444(15) Uani 0.744(11) 1 d D U P B 1
H8 H 0.1774 0.3673 0.3697 0.053 Uiso 0.744(11) 1 calc R . P B 1
C9 C 0.2321(3) 0.8414(4) 0.6013(2) 0.0530(12) Uani 1 1 d . . . . .
H9 H 0.1940 0.8016 0.5785 0.064 Uiso 1 1 calc R . . . .
C10 C 0.6167(7) 0.8631(10) 0.6777(4) 0.048(2) Uani 0.713(12) 1 d . U P A 1
H10 H 0.6443 0.8601 0.6458 0.057 Uiso 0.713(12) 1 calc R . P A 1
C11 C 0.7792(3) 0.3730(4) 0.3082(2) 0.0542(12) Uani 1 1 d . . . . .
H11 H 0.7219 0.3623 0.2958 0.065 Uiso 1 1 calc R . . . .
C12 C 0.3409(4) 0.9555(5) 0.6685(2) 0.0709(16) Uani 1 1 d . . . . .
H12 H 0.3785 0.9949 0.6919 0.085 Uiso 1 1 calc R . . . .
C13 C 0.7793(3) 0.8510(4) 0.4220(2) 0.0659(14) Uani 1 1 d D U . . .
H13A H 0.7393 0.8902 0.4402 0.079 Uiso 0.5 1 calc R . P C 2
H13 H 0.7486 0.8964 0.4436 0.079 Uiso 0.5 1 calc R . P C 1
C14 C 0.4562(3) 0.8523(4) 0.33898(17) 0.0477(10) Uani 1 1 d . . . . .
H14A H 0.4933 0.9144 0.3385 0.072 Uiso 1 1 calc GR . . . .
H14B H 0.4114 0.8585 0.3105 0.072 Uiso 1 1 calc GR . . . .
H14C H 0.4892 0.7879 0.3338 0.072 Uiso 1 1 calc GR . . . .
C15 C 0.8761(3) 0.4354(5) 0.3711(2) 0.0669(15) Uani 1 1 d . . . . .
H15 H 0.8894 0.4694 0.4041 0.080 Uiso 1 1 calc R . . . .
C16 C 0.2599(4) 0.9368(5) 0.6817(2) 0.0705(17) Uani 1 1 d . . . . .
H16 H 0.2414 0.9632 0.7140 0.085 Uiso 1 1 calc R . . . .
C17 C 0.2066(4) 0.8804(4) 0.6484(3) 0.0711(17) Uani 1 1 d . . . . .
H17 H 0.1506 0.8675 0.6576 0.085 Uiso 1 1 calc R . . . .
C18 C 0.2844(5) 0.3546(7) 0.2658(2) 0.0489(17) Uani 0.744(11) 1 d D U P B 1
H18 H 0.3312 0.3860 0.2505 0.059 Uiso 0.744(11) 1 calc R . P B 1
C19 C 0.5199(4) 0.4973(6) 0.22012(19) 0.0718(17) Uani 1 1 d . . . . .
H19A H 0.5647 0.4624 0.2020 0.108 Uiso 1 1 calc GR . . . .
H19B H 0.5029 0.5626 0.2013 0.108 Uiso 1 1 calc GR . . . .
H19C H 0.4712 0.4497 0.2207 0.108 Uiso 1 1 calc GR . . . .
C20 C 0.1512(4) 0.2590(5) 0.3112(3) 0.0515(17) Uani 0.744(11) 1 d D U P B 1
H20 H 0.1063 0.2248 0.3272 0.062 Uiso 0.744(11) 1 calc R . P B 1
C21 C 0.8413(4) 0.3394(5) 0.2770(2) 0.0722(17) Uani 1 1 d . . . . .
H21 H 0.8268 0.3058 0.2441 0.087 Uiso 1 1 calc R . . . .
C22 C 0.5203(6) 0.7924(8) 0.7303(4) 0.0568(19) Uani 0.713(12) 1 d . U P A 1
H22 H 0.4783 0.7408 0.7360 0.068 Uiso 0.713(12) 1 calc R . P A 1
C23 C 0.6455(6) 0.9319(7) 0.7163(4) 0.0528(18) Uani 0.713(12) 1 d . U P A 1
H23 H 0.6894 0.9807 0.7102 0.063 Uiso 0.713(12) 1 calc R . P A 1
C24 C 0.6102(6) 0.9296(7) 0.7640(5) 0.057(2) Uani 0.713(12) 1 d . U P A 1
H24 H 0.6290 0.9776 0.7913 0.069 Uiso 0.713(12) 1 calc R . P A 1
C25 C 0.2417(5) 0.2731(7) 0.2387(3) 0.0563(19) Uani 0.744(11) 1 d D U P B 1
H25 H 0.2578 0.2503 0.2052 0.068 Uiso 0.744(11) 1 calc R . P B 1
C26 C 0.9228(4) 0.3545(6) 0.2936(3) 0.080(2) Uani 1 1 d . . . . .
H26 H 0.9666 0.3316 0.2726 0.096 Uiso 1 1 calc R . . . .
C27 C 0.9416(4) 0.4033(7) 0.3410(3) 0.085(2) Uani 1 1 d . . . . .
H27 H 0.9987 0.4152 0.3534 0.101 Uiso 1 1 calc R . . . .
C28 C 0.1750(5) 0.2258(6) 0.2619(3) 0.058(2) Uani 0.744(11) 1 d D U P B 1
H28 H 0.1449 0.1699 0.2439 0.069 Uiso 0.744(11) 1 calc R . P B 1
C29 C 0.5481(6) 0.8583(8) 0.7721(3) 0.0629(18) Uani 0.713(12) 1 d . U P A 1
H29 H 0.5244 0.8536 0.8053 0.075 Uiso 0.713(12) 1 calc R . P A 1
C30 C 0.8603(5) 0.8895(12) 0.4291(7) 0.073(3) Uani 0.5 1 d D U P D 2
H30 H 0.8753 0.9533 0.4473 0.087 Uiso 0.5 1 calc R . P D 2
C31 C 0.8936(11) 0.7685(11) 0.5515(7) 0.070(2) Uani 0.624(12) 1 d . U P A 1
H31 H 0.9122 0.7031 0.5378 0.084 Uiso 0.624(12) 1 calc R . P A 1
C32 C 0.7843(6) 0.7134(9) 0.3535(4) 0.064(3) Uani 0.5 1 d D U P D 1
H32 H 0.7529 0.6663 0.3305 0.077 Uiso 0.5 1 calc R . P D 1
C33 C 0.9169(8) 0.8242(10) 0.4066(6) 0.074(3) Uani 0.5 1 d D U P D 2
H33 H 0.9739 0.8463 0.4058 0.089 Uiso 0.5 1 calc R . P D 2
C34 C 0.7841(8) 0.8778(13) 0.5622(7) 0.073(3) Uani 0.624(12) 1 d . U P A 1
H34 H 0.7249 0.8901 0.5584 0.087 Uiso 0.624(12) 1 calc R . P A 1
C35 C 0.9552(7) 0.8412(12) 0.5674(5) 0.077(2) Uani 0.624(12) 1 d . U P A 1
H35 H 1.0138 0.8251 0.5698 0.093 Uiso 0.624(12) 1 calc R . P A 1
C36 C 0.9244(10) 0.9372(11) 0.5791(6) 0.082(3) Uani 0.624(12) 1 d . U P A 1
H36 H 0.9628 0.9923 0.5896 0.099 Uiso 0.624(12) 1 calc R . P A 1
C37 C 0.0624(6) 0.6388(8) 0.4873(4) 0.119(3) Uani 1 1 d . . . . .
H37A H 0.0240 0.5910 0.5042 0.178 Uiso 1 1 calc GR . . . .
H37B H 0.0313 0.6771 0.4584 0.178 Uiso 1 1 calc GR . . . .
H37C H 0.0867 0.6896 0.5134 0.178 Uiso 1 1 calc GR . . . .
C38 C 0.8354(9) 0.9590(10) 0.5763(6) 0.084(3) Uani 0.624(12) 1 d . U P A 1
H38 H 0.8141 1.0273 0.5840 0.101 Uiso 0.624(12) 1 calc R . P A 1
C39 C 0.8694(6) 0.7299(10) 0.3478(5) 0.073(2) Uani 0.5 1 d D U P D 1
H39 H 0.8981 0.6923 0.3220 0.088 Uiso 0.5 1 calc R . P D 1
C40 C 0.8929(6) 0.7278(10) 0.3852(6) 0.080(2) Uani 0.5 1 d D U P D 2
H40 H 0.9348 0.6793 0.3754 0.095 Uiso 0.5 1 calc R . P D 2
C41 C 0.8083(6) 0.7003(10) 0.3777(6) 0.079(3) Uani 0.5 1 d D U P D 2
H41 H 0.7933 0.6345 0.3613 0.094 Uiso 0.5 1 calc R . P D 2
C42 C 0.9108(8) 0.8025(11) 0.3806(5) 0.073(3) Uani 0.5 1 d D U P D 1
H42 H 0.9700 0.8124 0.3798 0.088 Uiso 0.5 1 calc R . P D 1
C43 C 0.8655(5) 0.8609(13) 0.4148(7) 0.073(3) Uani 0.5 1 d D U P D 1
H43 H 0.8958 0.9131 0.4354 0.088 Uiso 0.5 1 calc R . P D 1
C44 C 0.8136(13) 0.873(2) 0.5613(12) 0.073(3) Uani 0.376(12) 1 d . U P A 2
H44 H 0.7583 0.8981 0.5662 0.088 Uiso 0.376(12) 1 calc R . P A 2
C45 C 0.8797(15) 0.9450(16) 0.5768(9) 0.077(3) Uani 0.376(12) 1 d . U P A 2
H45 H 0.8723 1.0150 0.5896 0.093 Uiso 0.376(12) 1 calc R . P A 2
C46 C 0.9602(15) 0.894(2) 0.5701(10) 0.080(3) Uani 0.376(12) 1 d . U P A 2
H46 H 1.0095 0.9362 0.5772 0.096 Uiso 0.376(12) 1 calc R . P A 2
C47 C 0.9714(12) 0.7922(17) 0.5545(10) 0.081(3) Uani 0.376(12) 1 d . U P A 2
H47 H 1.0256 0.7623 0.5511 0.097 Uiso 0.376(12) 1 calc R . P A 2
C48 C 0.8990(19) 0.7370(18) 0.5444(13) 0.070(3) Uani 0.376(12) 1 d . U P A 2
H48 H 0.9050 0.6629 0.5390 0.084 Uiso 0.376(12) 1 calc R . P A 2
C49 C 0.1955(16) 0.327(2) 0.3248(10) 0.050(3) Uani 0.256(11) 1 d D U P B 2
H49 H 0.1704 0.3310 0.3576 0.060 Uiso 0.256(11) 1 calc R . P B 2
C50 C 0.1662(14) 0.2541(18) 0.2865(9) 0.054(2) Uani 0.256(11) 1 d D U P B 2
H50 H 0.1181 0.2108 0.2904 0.064 Uiso 0.256(11) 1 calc R . P B 2
C51 C 0.2123(16) 0.249(2) 0.2422(10) 0.053(3) Uani 0.256(11) 1 d D U P B 2
H51 H 0.1974 0.1934 0.2183 0.064 Uiso 0.256(11) 1 calc R . P B 2
C52 C 0.2773(14) 0.3148(17) 0.2279(8) 0.057(3) Uani 0.256(11) 1 d D U P B 2
H52 H 0.3022 0.3097 0.1950 0.069 Uiso 0.256(11) 1 calc R . P B 2
C53 C 0.3018(15) 0.389(2) 0.2669(6) 0.052(3) Uani 0.256(11) 1 d D U P B 2
H53 H 0.3461 0.4372 0.2612 0.062 Uiso 0.256(11) 1 calc R . P B 2
C54 C 0.602(2) 0.872(3) 0.6897(13) 0.051(3) Uani 0.287(12) 1 d . U P A 2
H54 H 0.6293 0.8922 0.6591 0.061 Uiso 0.287(12) 1 calc R . P A 2
C55 C 0.6259(15) 0.9307(19) 0.7374(12) 0.052(3) Uani 0.287(12) 1 d . U P A 2
H55 H 0.6741 0.9754 0.7405 0.063 Uiso 0.287(12) 1 calc R . P A 2
C56 C 0.5765(17) 0.918(2) 0.7763(10) 0.059(3) Uani 0.287(12) 1 d . U P A 2
H56 H 0.5924 0.9450 0.8105 0.071 Uiso 0.287(12) 1 calc R . P A 2
C57 C 0.5034(17) 0.866(2) 0.7670(9) 0.065(3) Uani 0.287(12) 1 d . U P A 2
H57 H 0.4631 0.8676 0.7929 0.078 Uiso 0.287(12) 1 calc R . P A 2
C58 C 0.4855(16) 0.810(2) 0.7222(10) 0.061(3) Uani 0.287(12) 1 d . U P A 2
H58 H 0.4315 0.7788 0.7154 0.073 Uiso 0.287(12) 1 calc R . P A 2
N1 N 0.7952(2) 0.4198(3) 0.35480(16) 0.0492(9) Uani 1 1 d . . . . .
N2 N 0.5494(2) 0.7985(3) 0.68371(14) 0.0447(8) Uani 1 1 d . . . . .
N3 N 0.8128(14) 0.7805(19) 0.5533(6) 0.044(3) Uani 0.624(12) 1 d . . P A 1
N4 N 0.817(2) 0.776(3) 0.5408(10) 0.040(5) Uani 0.376(12) 1 d . U P A 2
O1 O 0.5753(2) 0.4272(3) 0.31172(13) 0.0536(8) Uani 1 1 d . . . . .
O2 O 0.4815(2) 0.8505(3) 0.44071(11) 0.0499(8) Uani 1 1 d . . . . .
O3 O 0.4897(2) 0.5838(3) 0.30900(11) 0.0545(9) Uani 1 1 d . . . . .
O4 O 0.3557(3) 0.9353(3) 0.40325(15) 0.0679(11) Uani 1 1 d . . . . .
O5 O 0.3680(3) 0.7437(3) 0.40069(14) 0.0691(11) Uani 1 1 d . . . . .
O6 O 0.6325(2) 0.5911(3) 0.28238(14) 0.0661(10) Uani 1 1 d . . . . .
O7 O 0.1695(7) 0.4859(11) 0.5040(4) 0.071(3) Uani 0.6 1 d . U P E 1
O8 O 0.0904(8) 0.5080(10) 0.4183(5) 0.114(4) Uani 0.6 1 d . U P E 1
O9 O 0.2071(4) 0.6261(8) 0.4434(4) 0.081(2) Uani 0.6 1 d . U P E 1
O10 O 0.2089(8) 0.6293(14) 0.4818(7) 0.103(4) Uani 0.4 1 d . U P E 2
O11 O 0.1276(10) 0.5582(16) 0.4064(6) 0.107(4) Uani 0.4 1 d . U P E 2
O12 O 0.1456(13) 0.4662(18) 0.4841(8) 0.103(5) Uani 0.4 1 d . U P E 2
O13 O 0.5743(4) 0.8906(5) 0.5386(2) 0.0776(15) Uani 0.75 1 d . U P F 1
H13B H 0.5767 0.9507 0.5556 0.116 Uiso 0.75 1 d G . P F 1
H13C H 0.5497 0.9059 0.5079 0.116 Uiso 0.75 1 d G . P F 1
O14 O 0.5965 0.8888 0.5201 0.066 Uani 0.25 1 d . U P G 2
H14D H 0.5481 0.8950 0.5020 0.098 Uiso 0.25 1 d . . P H 2
H14E H 0.5913 0.9083 0.5526 0.098 Uiso 0.25 1 d . . P I 2
O15 O 0.1703(5) 0.8046(7) 0.3808(4) 0.114(2) Uani 0.75 1 d . U P J 1
H15A H 0.1545 0.7512 0.3994 0.171 Uiso 0.75 1 d G . P J 1
H15B H 0.2238 0.8167 0.3883 0.171 Uiso 0.75 1 d G . P J 1
O16 O 0.1828 0.8314 0.4132 0.118 Uani 0.25 1 d . U P K 2
H16A H 0.1808 0.7626 0.4155 0.177 Uiso 0.25 1 d . . P L 2
H16B H 0.2274 0.8547 0.4316 0.177 Uiso 0.25 1 d . . P M 2
S1 S 0.63299(5) 0.62989(7) 0.43876(3) 0.02876(17) Uani 1 1 d . . . . .
S2 S 0.36717(5) 0.43809(7) 0.40386(3) 0.02863(17) Uani 1 1 d . . . . .
S3 S 0.39522(6) 0.68627(7) 0.54846(3) 0.03201(19) Uani 1 1 d . . . . .
S4 S 0.55732(6) 0.52830(9) 0.28548(4) 0.0386(2) Uani 1 1 d . . . . .
S5 S 0.41103(7) 0.84557(9) 0.40026(4) 0.0422(2) Uani 1 1 d . . . . .
S6 S 0.14040(7) 0.56775(12) 0.46289(5) 0.0589(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag2 2.8822(4) . ?
Ag1 Ag3 2.9200(4) . ?
Ag1 Ag5 3.012(4) 3_666 ?
Ag1 Ag6 3.2967(5) . ?
Ag1 Ag7 3.156(18) 3_666 ?
Ag1 O3 2.430(3) . ?
Ag1 S1 2.4904(9) . ?
Ag1 S2 2.4980(9) . ?
Ag2 Ag3 2.9534(4) . ?
Ag2 Ag4 3.257(2) . ?
Ag2 Ag5 3.208(4) . ?
Ag2 Ag7 3.016(17) . ?
Ag2 Ag8 3.115(12) . ?
Ag2 O2 2.522(3) . ?
Ag2 S1 2.4822(9) . ?
Ag2 S3 2.4771(9) . ?
Ag3 Ag4 3.192(3) 3_666 ?
Ag3 Ag6 3.3728(5) 3_666 ?
Ag3 O9 2.425(7) . ?
Ag3 O10 2.426(14) . ?
Ag3 S2 2.4715(9) . ?
Ag3 S3 2.4697(9) . ?
Ag4 Ag3 3.192(3) 3_666 ?
Ag4 N3 2.29(2) . ?
Ag4 S1 2.536(2) . ?
Ag4 S2 2.572(2) 3_666 ?
Ag5 Ag1 3.012(4) 3_666 ?
Ag5 N2 2.211(5) . ?
Ag5 S2 2.592(4) 3_666 ?
Ag5 S3 2.488(4) . ?
Ag6 Ag3 3.3727(5) 3_666 ?
Ag6 N1 2.227(4) . ?
Ag6 S1 2.5501(10) . ?
Ag6 S3 2.5679(10) 3_666 ?
Ag7 Ag1 3.156(18) 3_666 ?
Ag7 N2 2.210(9) . ?
Ag7 S2 2.513(10) 3_666 ?
Ag7 S3 2.511(9) . ?
Ag8 N4 2.12(3) . ?
Ag8 S1 2.539(9) . ?
Ag8 S2 2.646(8) 3_666 ?
C1 C2 1.496(5) . ?
C1 C7 1.378(6) . ?
C1 C9 1.389(6) . ?
C2 S3 1.859(4) . ?
C3 C5 1.500(5) . ?
C3 S1 1.859(4) . ?
C4 C6 1.503(6) . ?
C4 C8 1.401(6) . ?
C4 C18 1.388(6) . ?
C4 C49 1.387(8) . ?
C4 C53 1.397(8) . ?
C5 C13 1.379(5) . ?
C5 C32 1.398(7) . ?
C5 C41 1.387(7) . ?
C6 S2 1.855(4) . ?
C7 C12 1.381(7) . ?
C8 C20 1.394(6) . ?
C9 C17 1.379(7) . ?
C10 C23 1.361(14) . ?
C10 N2 1.361(13) . ?
C11 C21 1.378(7) . ?
C11 N1 1.329(7) . ?
C12 C16 1.374(9) . ?
C13 C30 1.375(7) . ?
C13 C43 1.401(7) . ?
C14 S5 1.761(4) . ?
C15 C27 1.395(8) . ?
C15 N1 1.335(7) . ?
C16 C17 1.353(9) . ?
C18 C25 1.385(6) . ?
C19 S4 1.764(5) . ?
C20 C28 1.397(6) . ?
C21 C26 1.345(10) . ?
C22 C29 1.394(11) . ?
C22 N2 1.302(10) . ?
C23 C24 1.371(12) . ?
C24 C29 1.361(13) . ?
C25 C28 1.384(7) . ?
C26 C27 1.365(10) . ?
C30 C33 1.372(8) . ?
C31 C35 1.380(19) . ?
C31 N3 1.30(3) . ?
C32 C39 1.386(7) . ?
C33 C40 1.375(7) . ?
C34 C38 1.342(18) . ?
C34 N3 1.33(3) . ?
C35 C36 1.347(17) . ?
C36 C38 1.437(16) . ?
C37 S6 1.682(8) . ?
C39 C42 1.372(8) . ?
C40 C41 1.388(7) . ?
C42 C43 1.380(7) . ?
C44 C45 1.42(3) . ?
C44 N4 1.34(5) . ?
C45 C46 1.45(3) . ?
C46 C47 1.36(3) . ?
C47 C48 1.35(3) . ?
C48 N4 1.38(5) . ?
C49 C50 1.388(8) . ?
C50 C51 1.387(8) . ?
C51 C52 1.391(8) . ?
C52 C53 1.395(8) . ?
C54 C55 1.44(4) . ?
C54 N2 1.25(4) . ?
C55 C56 1.31(3) . ?
C56 C57 1.34(3) . ?
C57 C58 1.35(3) . ?
C58 N2 1.47(2) . ?
O1 S4 1.457(4) . ?
O2 S5 1.464(3) . ?
O3 S4 1.446(3) . ?
O4 S5 1.437(4) . ?
O5 S5 1.455(4) . ?
O6 S4 1.439(4) . ?
O7 S6 1.515(12) . ?
O8 S6 1.532(11) . ?
O9 S6 1.409(8) . ?
O10 S6 1.393(14) . ?
O11 S6 1.438(15) . ?
O12 S6 1.39(2) . ?
S2 Ag4 2.572(2) 3_666 ?
S2 Ag5 2.592(4) 3_666 ?
S2 Ag7 2.513(10) 3_666 ?
S2 Ag8 2.646(8) 3_666 ?
S3 Ag6 2.5679(10) 3_666 ?

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 Ag1 Ag3 61.194(9) . . ?
Ag2 Ag1 Ag5 138.51(8) . 3_666 ?
Ag2 Ag1 Ag6 98.221(12) . . ?
Ag2 Ag1 Ag7 134.8(3) . 3_666 ?
Ag3 Ag1 Ag5 103.85(8) . 3_666 ?
Ag3 Ag1 Ag6 143.799(14) . . ?
Ag3 Ag1 Ag7 98.8(5) . 3_666 ?
Ag5 Ag1 Ag6 70.91(7) 3_666 . ?
Ag7 Ag1 Ag6 74.1(3) 3_666 . ?
O3 Ag1 Ag2 132.60(9) . . ?
O3 Ag1 Ag3 122.47(8) . . ?
O3 Ag1 Ag5 88.68(12) . 3_666 ?
O3 Ag1 Ag6 93.57(8) . . ?
O3 Ag1 Ag7 92.6(4) . 3_666 ?
O3 Ag1 S1 105.07(9) . . ?
O3 Ag1 S2 97.06(9) . . ?
S1 Ag1 Ag2 54.44(2) . . ?
S1 Ag1 Ag3 115.38(2) . . ?
S1 Ag1 Ag5 119.41(7) . 3_666 ?
S1 Ag1 Ag6 49.94(2) . . ?
S1 Ag1 Ag7 121.5(2) . 3_666 ?
S1 Ag1 S2 157.28(3) . . ?
S2 Ag1 Ag2 112.70(2) . . ?
S2 Ag1 Ag3 53.60(2) . . ?
S2 Ag1 Ag5 55.18(8) . 3_666 ?
S2 Ag1 Ag6 124.53(2) . . ?
S2 Ag1 Ag7 51.2(4) . 3_666 ?
Ag1 Ag2 Ag3 60.034(9) . . ?
Ag1 Ag2 Ag4 99.95(5) . . ?
Ag1 Ag2 Ag5 141.25(6) . . ?
Ag1 Ag2 Ag7 145.0(4) . . ?
Ag1 Ag2 Ag8 103.8(3) . . ?
Ag3 Ag2 Ag4 146.12(6) . . ?
Ag3 Ag2 Ag5 97.23(6) . . ?
Ag3 Ag2 Ag7 101.6(5) . . ?
Ag3 Ag2 Ag8 151.3(3) . . ?
Ag5 Ag2 Ag4 82.11(7) . . ?
Ag7 Ag2 Ag8 78.2(4) . . ?
O2 Ag2 Ag1 92.84(7) . . ?
O2 Ag2 Ag3 93.50(8) . . ?
O2 Ag2 Ag4 115.91(10) . . ?
O2 Ag2 Ag5 121.33(10) . . ?
O2 Ag2 Ag7 119.3(3) . . ?
O2 Ag2 Ag8 111.8(3) . . ?
S1 Ag2 Ag1 54.71(2) . . ?
S1 Ag2 Ag3 114.49(2) . . ?
S1 Ag2 Ag4 50.25(4) . . ?
S1 Ag2 Ag5 130.51(7) . . ?
S1 Ag2 Ag7 128.5(3) . . ?
S1 Ag2 Ag8 52.5(2) . . ?
S1 Ag2 O2 94.71(8) . . ?
S3 Ag2 Ag1 112.80(2) . . ?
S3 Ag2 Ag3 53.23(2) . . ?
S3 Ag2 Ag4 131.46(4) . . ?
S3 Ag2 Ag5 49.89(7) . . ?
S3 Ag2 Ag7 53.3(4) . . ?
S3 Ag2 Ag8 131.20(17) . . ?
S3 Ag2 O2 97.78(8) . . ?
S3 Ag2 S1 162.90(3) . . ?
Ag1 Ag3 Ag2 58.772(9) . . ?
Ag1 Ag3 Ag4 100.83(4) . 3_666 ?
Ag1 Ag3 Ag6 137.061(14) . 3_666 ?
Ag2 Ag3 Ag4 135.46(5) . 3_666 ?
Ag2 Ag3 Ag6 95.132(12) . 3_666 ?
Ag4 Ag3 Ag6 73.24(4) 3_666 3_666 ?
O9 Ag3 Ag1 131.9(2) . . ?
O9 Ag3 Ag2 141.8(2) . . ?
O9 Ag3 Ag4 82.2(2) . 3_666 ?
O9 Ag3 Ag6 90.2(2) . 3_666 ?
O9 Ag3 S2 97.1(3) . . ?
O9 Ag3 S3 106.8(2) . . ?
O10 Ag3 Ag1 154.9(4) . . ?
O10 Ag3 Ag2 134.5(4) . . ?
O10 Ag3 Ag6 67.8(4) . 3_666 ?
O10 Ag3 S2 113.4(4) . . ?
O10 Ag3 S3 87.2(4) . . ?
S2 Ag3 Ag1 54.44(2) . . ?
S2 Ag3 Ag2 111.17(2) . . ?
S2 Ag3 Ag4 52.14(4) . 3_666 ?
S2 Ag3 Ag6 122.86(2) . 3_666 ?
S3 Ag3 Ag1 111.78(2) . . ?
S3 Ag3 Ag2 53.46(2) . . ?
S3 Ag3 Ag4 121.00(4) . 3_666 ?
S3 Ag3 Ag6 49.22(2) . 3_666 ?
S3 Ag3 S2 154.27(3) . . ?
Ag3 Ag4 Ag2 77.89(5) 3_666 . ?
N3 Ag4 Ag2 125.1(6) . . ?
N3 Ag4 Ag3 152.0(6) . 3_666 ?
N3 Ag4 S1 129.3(5) . . ?
N3 Ag4 S2 118.3(4) . 3_666 ?
S1 Ag4 Ag2 48.81(5) . . ?
S1 Ag4 Ag3 76.94(7) . 3_666 ?
S1 Ag4 S2 106.13(8) . 3_666 ?
S2 Ag4 Ag2 70.83(5) 3_666 . ?
S2 Ag4 Ag3 49.35(6) 3_666 3_666 ?
Ag1 Ag5 Ag2 79.18(10) 3_666 . ?
N2 Ag5 Ag1 142.03(18) . 3_666 ?
N2 Ag5 Ag2 133.44(17) . . ?
N2 Ag5 S2 112.61(17) . 3_666 ?
N2 Ag5 S3 132.7(2) . . ?
S2 Ag5 Ag1 52.28(7) 3_666 3_666 ?
S2 Ag5 Ag2 71.46(10) 3_666 . ?
S3 Ag5 Ag1 81.12(10) . 3_666 ?
S3 Ag5 Ag2 49.60(7) . . ?
S3 Ag5 S2 110.86(15) . 3_666 ?
Ag1 Ag6 Ag3 79.132(10) . 3_666 ?
N1 Ag6 Ag1 142.53(10) . . ?
N1 Ag6 Ag3 138.16(10) . 3_666 ?
N1 Ag6 S1 131.54(11) . . ?
N1 Ag6 S3 124.58(11) . 3_666 ?
S1 Ag6 Ag1 48.37(2) . . ?
S1 Ag6 Ag3 73.40(2) . 3_666 ?
S1 Ag6 S3 103.80(3) . 3_666 ?
S3 Ag6 Ag1 74.54(2) 3_666 . ?
S3 Ag6 Ag3 46.74(2) 3_666 3_666 ?
Ag2 Ag7 Ag1 80.0(2) . 3_666 ?
N2 Ag7 Ag1 133.6(9) . 3_666 ?
N2 Ag7 Ag2 145.3(11) . . ?
N2 Ag7 S2 115.7(4) . 3_666 ?
N2 Ag7 S3 131.5(5) . . ?
S2 Ag7 Ag1 50.7(3) 3_666 3_666 ?
S2 Ag7 Ag2 75.9(4) 3_666 . ?
S3 Ag7 Ag1 77.9(4) . 3_666 ?
S3 Ag7 Ag2 52.3(2) . . ?
S3 Ag7 S2 112.7(3) . 3_666 ?
N4 Ag8 Ag2 139.9(14) . . ?
N4 Ag8 S1 127.9(8) . . ?
N4 Ag8 S2 128.2(8) . 3_666 ?
S1 Ag8 Ag2 50.84(18) . . ?
S1 Ag8 S2 103.9(3) . 3_666 ?
S2 Ag8 Ag2 72.4(2) 3_666 . ?
C7 C1 C2 120.3(4) . . ?
C7 C1 C9 118.9(4) . . ?
C9 C1 C2 120.8(4) . . ?
C1 C2 S3 110.8(3) . . ?
C5 C3 S1 111.5(3) . . ?
C8 C4 C6 116.6(4) . . ?
C18 C4 C6 126.1(5) . . ?
C18 C4 C8 117.3(5) . . ?
C49 C4 C6 131.7(10) . . ?
C49 C4 C53 123.0(13) . . ?
C53 C4 C6 105.1(10) . . ?
C13 C5 C3 120.5(4) . . ?
C13 C5 C32 124.8(6) . . ?
C13 C5 C41 110.5(7) . . ?
C32 C5 C3 113.0(5) . . ?
C41 C5 C3 127.2(6) . . ?
C4 C6 S2 111.4(3) . . ?
C1 C7 C12 120.2(5) . . ?
C20 C8 C4 121.2(6) . . ?
C17 C9 C1 119.7(5) . . ?
C23 C10 N2 121.8(8) . . ?
N1 C11 C21 123.3(5) . . ?
C16 C12 C7 120.4(6) . . ?
C5 C13 C43 110.6(7) . . ?
C30 C13 C5 132.1(8) . . ?
N1 C15 C27 121.8(6) . . ?
C17 C16 C12 119.5(5) . . ?
C16 C17 C9 121.2(5) . . ?
C25 C18 C4 123.2(7) . . ?
C8 C20 C28 119.1(7) . . ?
C26 C21 C11 119.4(6) . . ?
N2 C22 C29 122.7(8) . . ?
C10 C23 C24 118.9(8) . . ?
C29 C24 C23 119.6(8) . . ?
C28 C25 C18 118.1(7) . . ?
C21 C26 C27 118.8(5) . . ?
C26 C27 C15 119.3(6) . . ?
C25 C28 C20 121.1(7) . . ?
C24 C29 C22 118.2(8) . . ?
C33 C30 C13 111.7(11) . . ?
N3 C31 C35 126.5(15) . . ?
C39 C32 C5 119.7(9) . . ?
C30 C33 C40 121.6(12) . . ?
N3 C34 C38 122.6(14) . . ?
C36 C35 C31 113.6(13) . . ?
C35 C36 C38 122.2(11) . . ?
C34 C38 C36 116.4(11) . . ?
C42 C39 C32 117.6(11) . . ?
C33 C40 C41 120.9(11) . . ?
C5 C41 C40 121.6(11) . . ?
C39 C42 C43 119.3(11) . . ?
C42 C43 C13 126.5(11) . . ?
N4 C44 C45 130(2) . . ?
C44 C45 C46 109.1(19) . . ?
C47 C46 C45 126(2) . . ?
C48 C47 C46 114.5(19) . . ?
C47 C48 N4 128(2) . . ?
C4 C49 C50 118.8(17) . . ?
C51 C50 C49 115(2) . . ?
C50 C51 C52 129(2) . . ?
C51 C52 C53 113(2) . . ?
C52 C53 C4 120.8(17) . . ?
N2 C54 C55 128(3) . . ?
C56 C55 C54 115(2) . . ?
C55 C56 C57 119(2) . . ?
C56 C57 C58 122(2) . . ?
C57 C58 N2 120(2) . . ?
C11 N1 Ag6 120.4(3) . . ?
C11 N1 C15 117.3(4) . . ?
C15 N1 Ag6 122.0(4) . . ?
C10 N2 Ag5 119.3(5) . . ?
C22 N2 Ag5 121.4(5) . . ?
C22 N2 C10 118.1(6) . . ?
C54 N2 Ag7 128.0(15) . . ?
C54 N2 C58 109.4(16) . . ?
C58 N2 Ag7 119.4(12) . . ?
C31 N3 Ag4 122.0(15) . . ?
C31 N3 C34 117.7(19) . . ?
C34 N3 Ag4 119.2(14) . . ?
C44 N4 Ag8 124(3) . . ?
C44 N4 C48 111(3) . . ?
C48 N4 Ag8 122(2) . . ?
S5 O2 Ag2 118.8(2) . . ?
S4 O3 Ag1 109.71(17) . . ?
S6 O9 Ag3 122.3(5) . . ?
S6 O10 Ag3 123.1(9) . . ?
Ag1 S1 Ag4 138.95(6) . . ?
Ag1 S1 Ag6 81.68(3) . . ?
Ag1 S1 Ag8 139.75(18) . . ?
Ag2 S1 Ag1 70.85(2) . . ?
Ag2 S1 Ag4 80.94(5) . . ?
Ag2 S1 Ag6 136.80(4) . . ?
Ag2 S1 Ag8 76.7(3) . . ?
Ag4 S1 Ag6 100.80(8) . . ?
Ag8 S1 Ag6 108.0(5) . . ?
C3 S1 Ag1 105.52(13) . . ?
C3 S1 Ag2 107.15(14) . . ?
C3 S1 Ag4 111.04(15) . . ?
C3 S1 Ag6 112.06(14) . . ?
C3 S1 Ag8 106.3(3) . . ?
Ag1 S2 Ag4 136.79(6) . 3_666 ?
Ag1 S2 Ag5 72.53(8) . 3_666 ?
Ag1 S2 Ag7 78.1(6) . 3_666 ?
Ag1 S2 Ag8 137.32(18) . 3_666 ?
Ag3 S2 Ag1 71.97(2) . . ?
Ag3 S2 Ag4 78.51(7) . 3_666 ?
Ag3 S2 Ag5 134.50(9) . 3_666 ?
Ag3 S2 Ag7 135.7(2) . 3_666 ?
Ag3 S2 Ag8 84.3(4) . 3_666 ?
Ag4 S2 Ag5 110.63(11) 3_666 3_666 ?
Ag7 S2 Ag8 97.0(8) 3_666 3_666 ?
C6 S2 Ag1 103.28(14) . . ?
C6 S2 Ag3 103.15(15) . . ?
C6 S2 Ag4 113.82(15) . 3_666 ?
C6 S2 Ag5 111.98(18) . 3_666 ?
C6 S2 Ag7 115.2(3) . 3_666 ?
C6 S2 Ag8 116.6(3) . 3_666 ?
Ag2 S3 Ag5 80.51(10) . . ?
Ag2 S3 Ag6 135.99(4) . 3_666 ?
Ag2 S3 Ag7 74.4(6) . . ?
Ag3 S3 Ag2 73.32(2) . . ?
Ag3 S3 Ag5 137.87(10) . . ?
Ag3 S3 Ag6 84.04(3) . 3_666 ?
Ag3 S3 Ag7 136.5(2) . . ?
Ag5 S3 Ag6 92.98(9) . 3_666 ?
Ag7 S3 Ag6 100.0(7) . 3_666 ?
C2 S3 Ag2 105.83(14) . . ?
C2 S3 Ag3 104.15(14) . . ?
C2 S3 Ag5 114.56(17) . . ?
C2 S3 Ag6 116.20(15) . 3_666 ?
C2 S3 Ag7 112.1(4) . . ?
O1 S4 C19 106.1(3) . . ?
O3 S4 C19 106.6(2) . . ?
O3 S4 O1 111.2(2) . . ?
O6 S4 C19 107.1(3) . . ?
O6 S4 O1 111.7(2) . . ?
O6 S4 O3 113.6(2) . . ?
O2 S5 C14 106.0(2) . . ?
O4 S5 C14 107.4(2) . . ?
O4 S5 O2 111.6(2) . . ?
O4 S5 O5 113.9(3) . . ?
O5 S5 C14 105.7(2) . . ?
O5 S5 O2 111.6(2) . . ?
O7 S6 C37 107.8(6) . . ?
O7 S6 O8 106.8(6) . . ?
O8 S6 C37 100.2(6) . . ?
O9 S6 C37 116.4(5) . . ?
O9 S6 O7 113.4(5) . . ?
O9 S6 O8 111.2(6) . . ?
O10 S6 C37 98.9(7) . . ?
O10 S6 O11 116.1(10) . . ?
O11 S6 C37 110.9(8) . . ?
O12 S6 C37 111.9(10) . . ?
O12 S6 O10 110.9(11) . . ?
O12 S6 O11 108.0(12) . . ?

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
Ag1 O3 S4 C19 149.9(3) . . . . ?
Ag1 O3 S4 O1 34.7(3) . . . . ?
Ag1 O3 S4 O6 -92.4(3) . . . . ?
Ag2 O2 S5 C14 -110.0(2) . . . . ?
Ag2 O2 S5 O4 133.4(2) . . . . ?
Ag2 O2 S5 O5 4.7(3) . . . . ?
Ag3 O9 S6 C37 131.9(6) . . . . ?
Ag3 O9 S6 O7 6.0(9) . . . . ?
Ag3 O9 S6 O8 -114.3(7) . . . . ?
Ag3 O9 S6 O10 60.1(11) . . . . ?
Ag3 O9 S6 O11 -121.7(10) . . . . ?
Ag3 O9 S6 O12 -19.8(14) . . . . ?
Ag3 O10 S6 C37 178.5(10) . . . . ?
Ag3 O10 S6 O7 71.0(11) . . . . ?
Ag3 O10 S6 O8 -50(2) . . . . ?
Ag3 O10 S6 O9 -60.9(10) . . . . ?
Ag3 O10 S6 O11 -62.9(15) . . . . ?
Ag3 O10 S6 O12 60.9(16) . . . . ?
C1 C2 S3 Ag2 -139.8(3) . . . . ?
C1 C2 S3 Ag3 143.8(3) . . . . ?
C1 C2 S3 Ag5 -53.2(4) . . . . ?
C1 C2 S3 Ag6 53.6(3) . . . 3_666 ?
C1 C2 S3 Ag7 -60.6(7) . . . . ?
C1 C7 C12 C16 0.2(9) . . . . ?
C1 C9 C17 C16 -0.4(9) . . . . ?
C2 C1 C7 C12 -178.7(5) . . . . ?
C2 C1 C9 C17 178.8(5) . . . . ?
C3 C5 C13 C30 179.2(12) . . . . ?
C3 C5 C13 C43 -178.0(9) . . . . ?
C3 C5 C32 C39 178.6(9) . . . . ?
C3 C5 C41 C40 -172.4(11) . . . . ?
C4 C6 S2 Ag1 137.6(3) . . . . ?
C4 C6 S2 Ag3 -148.2(3) . . . . ?
C4 C6 S2 Ag4 -65.1(3) . . . 3_666 ?
C4 C6 S2 Ag5 61.3(3) . . . 3_666 ?
C4 C6 S2 Ag7 54.7(8) . . . 3_666 ?
C4 C6 S2 Ag8 -58.1(6) . . . 3_666 ?
C4 C8 C20 C28 -1.7(13) . . . . ?
C4 C18 C25 C28 -1.7(12) . . . . ?
C4 C49 C50 C51 5(4) . . . . ?
C5 C3 S1 Ag1 -154.3(3) . . . . ?
C5 C3 S1 Ag2 131.4(3) . . . . ?
C5 C3 S1 Ag4 44.7(3) . . . . ?
C5 C3 S1 Ag6 -67.2(3) . . . . ?
C5 C3 S1 Ag8 50.6(5) . . . . ?
C5 C13 C30 C33 -6(2) . . . . ?
C5 C13 C43 C42 6(2) . . . . ?
C5 C32 C39 C42 -3.0(18) . . . . ?
C6 C4 C8 C20 178.6(7) . . . . ?
C6 C4 C18 C25 -176.7(6) . . . . ?
C6 C4 C49 C50 173.8(17) . . . . ?
C6 C4 C53 C52 -177.5(19) . . . . ?
C7 C1 C2 S3 85.5(5) . . . . ?
C7 C1 C9 C17 0.8(8) . . . . ?
C7 C12 C16 C17 0.2(10) . . . . ?
C8 C4 C6 S2 73.5(7) . . . . ?
C8 C4 C18 C25 1.7(12) . . . . ?
C8 C4 C49 C50 172(10) . . . . ?
C8 C4 C53 C52 -5(3) . . . . ?
C8 C20 C28 C25 1.7(11) . . . . ?
C9 C1 C2 S3 -92.5(5) . . . . ?
C9 C1 C7 C12 -0.6(8) . . . . ?
C10 C23 C24 C29 0.7(13) . . . . ?
C11 C21 C26 C27 -0.2(10) . . . . ?
C12 C16 C17 C9 -0.1(10) . . . . ?
C13 C5 C32 C39 13.6(14) . . . . ?
C13 C5 C41 C40 -7.4(17) . . . . ?
C13 C30 C33 C40 -6(2) . . . . ?
C18 C4 C6 S2 -108.1(6) . . . . ?
C18 C4 C8 C20 0.0(12) . . . . ?
C18 C4 C49 C50 -5(3) . . . . ?
C18 C4 C53 C52 11(2) . . . . ?
C18 C25 C28 C20 -0.1(11) . . . . ?
C21 C11 N1 Ag6 -173.2(4) . . . . ?
C21 C11 N1 C15 0.9(8) . . . . ?
C21 C26 C27 C15 0.4(10) . . . . ?
C23 C10 N2 Ag5 -177.4(7) . . . . ?
C23 C10 N2 Ag7 -179.5(8) . . . . ?
C23 C10 N2 C22 -9.9(14) . . . . ?
C23 C10 N2 C54 17(6) . . . . ?
C23 C10 N2 C58 18(2) . . . . ?
C23 C24 C29 C22 -2.5(14) . . . . ?
C27 C15 N1 Ag6 173.3(5) . . . . ?
C27 C15 N1 C11 -0.7(9) . . . . ?
C29 C22 N2 Ag5 175.3(7) . . . . ?
C29 C22 N2 Ag7 175.5(7) . . . . ?
C29 C22 N2 C10 8.0(13) . . . . ?
C29 C22 N2 C54 0(2) . . . . ?
C29 C22 N2 C58 -110(3) . . . . ?
C30 C13 C43 C42 -180(5) . . . . ?
C30 C33 C40 C41 11(2) . . . . ?
C31 C35 C36 C38 1(2) . . . . ?
C32 C5 C13 C30 -16.8(15) . . . . ?
C32 C5 C13 C43 -14.0(12) . . . . ?
C32 C5 C41 C40 117(2) . . . . ?
C32 C39 C42 C43 -5(2) . . . . ?
C33 C40 C41 C5 -3(2) . . . . ?
C35 C31 N3 Ag4 -179.1(14) . . . . ?
C35 C31 N3 C34 13(3) . . . . ?
C35 C36 C38 C34 1(2) . . . . ?
C38 C34 N3 Ag4 -177.6(12) . . . . ?
C38 C34 N3 C31 -9(3) . . . . ?
C39 C42 C43 C13 3(2) . . . . ?
C41 C5 C13 C30 12.9(15) . . . . ?
C41 C5 C13 C43 15.7(13) . . . . ?
C41 C5 C32 C39 -55.8(16) . . . . ?
C43 C13 C30 C33 -13(3) . . . . ?
C44 C45 C46 C47 -4(4) . . . . ?
C45 C44 N4 Ag8 174(2) . . . . ?
C45 C44 N4 C48 12(5) . . . . ?
C45 C46 C47 C48 1(4) . . . . ?
C46 C47 C48 N4 10(4) . . . . ?
C47 C48 N4 Ag8 -178(2) . . . . ?
C47 C48 N4 C44 -15(5) . . . . ?
C49 C4 C6 S2 73(2) . . . . ?
C49 C4 C8 C20 -3(7) . . . . ?
C49 C4 C18 C25 2.5(18) . . . . ?
C49 C4 C53 C52 -2(3) . . . . ?
C49 C50 C51 C52 -8(4) . . . . ?
C50 C51 C52 C53 6(4) . . . . ?
C51 C52 C53 C4 0(3) . . . . ?
C53 C4 C6 S2 -111.8(12) . . . . ?
C53 C4 C8 C20 6(2) . . . . ?
C53 C4 C18 C25 -167(4) . . . . ?
C53 C4 C49 C50 -1(4) . . . . ?
C54 C55 C56 C57 -9(4) . . . . ?
C55 C54 N2 Ag5 -171.5(17) . . . . ?
C55 C54 N2 Ag7 -173(2) . . . . ?
C55 C54 N2 C10 -153(10) . . . . ?
C55 C54 N2 C22 3(4) . . . . ?
C55 C54 N2 C58 28(4) . . . . ?
C55 C56 C57 C58 12(4) . . . . ?
C56 C57 C58 N2 5(4) . . . . ?
C57 C58 N2 Ag5 171.2(19) . . . . ?
C57 C58 N2 Ag7 175.4(19) . . . . ?
C57 C58 N2 C10 -23(3) . . . . ?
C57 C58 N2 C22 54(3) . . . . ?
C57 C58 N2 C54 -23(3) . . . . ?
N1 C11 C21 C26 -0.5(9) . . . . ?
N1 C15 C27 C26 0.1(10) . . . . ?
N2 C10 C23 C24 5.5(14) . . . . ?
N2 C22 C29 C24 -2.0(14) . . . . ?
N2 C54 C55 C56 -13(5) . . . . ?
N3 C31 C35 C36 -9(3) . . . . ?
N3 C34 C38 C36 3(2) . . . . ?
N4 C44 C45 C46 -3(4) . . . . ?
S1 C3 C5 C13 -101.2(5) . . . . ?
S1 C3 C5 C32 93.1(6) . . . . ?
S1 C3 C5 C41 62.6(10) . . . . ?

_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 1.417
_oxdiff_exptl_absorpt_empirical_full_min 0.816
####################################################################### 
# 
# 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_SCM_3
_database_code_depnum_ccdc_archive 'CCDC 2095837'
loop_
_audit_author_name
_audit_author_address
'Si Li'
;ZhengZhou University
China
;
_audit_update_record             
;
2021-09-27 deposited with the CCDC.	2021-09-29 downloaded from the CCDC.
;
_audit_creation_date             2021-09-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'C40 H84 Ag12 N4 O24 S14, C36 H36 N24 O12, 4(C3 H7 N O)'
_chemical_formula_sum            'C88 H148 Ag12 N32 O40 S14'
_chemical_formula_weight         4037.66
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O F N P Ag'
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'
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                   13.9198(2)
_cell_length_b                   14.8144(2)
_cell_length_c                   18.0353(2)
_cell_angle_alpha                79.5070(10)
_cell_angle_beta                 80.7700(10)
_cell_angle_gamma                79.2250(10)
_cell_volume                     3561.59(8)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    20240
_cell_measurement_temperature    199.99(10)
_cell_measurement_theta_max      72.6450
_cell_measurement_theta_min      3.3380
_shelx_estimated_absorpt_T_max   0.746
_shelx_estimated_absorpt_T_min   0.653
_exptl_absorpt_coefficient_mu    15.546
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56220
_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_crystal_colour            yellow
_exptl_crystal_colour_modifier   ?
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.883
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2008
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0719
_diffrn_reflns_av_unetI/netI     0.0673
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            37672
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.303
_diffrn_reflns_theta_min         2.513
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      199.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     43.00  75.00   0.50    1.14    --    0.00  57.00  60.00   64
  2  ω      0.00  87.00   0.50    1.14    --    0.00  77.00  90.00  174
  3  ω      1.00  79.00   0.50    1.14    --    0.00  38.00-180.00  156
  4  ω    -28.00  35.00   0.50    1.14    --    0.00  57.00  60.00  126
  5  ω    -69.00  29.00   0.50    1.14    --    0.00 -38.00-180.00  196
  6  ω      8.00 127.00   0.50    4.56    --   97.60 -61.00-120.00  238
  7  ω      8.00 124.00   0.50    4.56    --   97.60 -61.00  60.00  232
  8  ω     27.00 133.00   0.50    4.56    --   97.60 -82.00  60.00  212
  9  ω     20.00 106.00   0.50    4.56    --   97.60 -82.00   0.00  172
 10  ω    130.00 156.00   0.50    4.56    --   97.60  77.00-150.00   52
 11  ω      9.00 158.00   0.50    4.56    --   97.60 -15.00-120.00  298
 12  ω     63.00 102.00   0.50    4.56    --   97.60  77.00-150.00   78
 13  ω     38.00  87.00   0.50    4.56    --   97.60  15.00 120.00   98
 14  ω    104.00 187.00   0.50    4.56    --   97.60  15.00 120.00  166
 15  ω     96.00 123.00   0.50    4.56    --   97.60 -82.00 -90.00   54
 16  ω     20.00  46.00   0.50    4.56    --   97.60 -82.00 -90.00   52
 17  ω     16.00  70.00   0.50    4.56    --   97.60 -82.00-180.00  108
 18  ω     89.00 120.00   0.50    4.56    --   97.60 -82.00-180.00   62
 19  ω     13.00 131.00   0.50    4.56    --   97.60 -82.00-120.00  236
 20  ω     84.00 120.00   0.50    4.56    --   97.60 -82.00 120.00   72
 21  ω     77.00 103.00   0.50    4.56    --   97.60 -61.00 -30.00   52
 22  ω     84.00 109.00   0.50    4.56    --   97.60 -82.00 -30.00   50
 23  ω     17.00 155.00   0.50    4.56    --   97.60 -15.00  30.00  276
;
_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      -0.0287784000
_diffrn_orient_matrix_UB_12      0.0079491000
_diffrn_orient_matrix_UB_13      0.0849590000
_diffrn_orient_matrix_UB_21      -0.0571674000
_diffrn_orient_matrix_UB_22      0.0985625000
_diffrn_orient_matrix_UB_23      -0.0214322000
_diffrn_orient_matrix_UB_31      -0.0938990000
_diffrn_orient_matrix_UB_32      -0.0413615000
_diffrn_orient_matrix_UB_33      0.0008817000
_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                11938
_reflns_number_total             13836
_reflns_odcompleteness_completeness 96.64
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     73.15
_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         1.320
_refine_diff_density_min         -1.159
_refine_diff_density_rms         0.184
_refine_ls_extinction_coef       0.00036(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     956
_refine_ls_number_reflns         13836
_refine_ls_number_restraints     64
_refine_ls_R_factor_all          0.0736
_refine_ls_R_factor_gt           0.0631
_refine_ls_restrained_S_all      1.037
_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)+(0.0963P)²+15.8741P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1750
_refine_ls_wR_factor_ref         0.1808
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N17-C48 \\sim N17-C49
 with sigma of 0.01
 N16-C45 \\sim N16-C44
 with sigma of 0.01
 N15-C43 \\sim N15-C42
 with sigma of 0.01
3. Rigid bond restraints
 O14, S7
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C2 \\sim C13 \\sim C20 \\sim C22: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
O5 \\sim O10 \\sim O12 \\sim O13 \\sim O14: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C21) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C20) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O11) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
5. Others
 Sof(Ag7)=1-FVAR(1)
 Sof(Ag6)=FVAR(1)
 Sof(Ag8)=1-FVAR(2)
 Sof(Ag5)=FVAR(2)
 Fixed Sof: C18(0.5) H18A(0.5) H18B(0.5) H18C(0.5) C20(0.75) H20A(0.75)
 H20B(0.75) H20C(0.75) C21(0.5) H21A(0.5) H21B(0.5) H21C(0.5) C22(0.25)
 H22A(0.25) H22B(0.25) H22C(0.25) O10(0.75) O12(0.75) O13(0.25) O14(0.25)
 C44(0.5) H44(0.5) C45(0.5) H45A(0.5) H45B(0.5) H45C(0.5) C46(0.5) H46A(0.5)
 H46B(0.5) H46C(0.5) N16(0.5) O22(0.5) C47(0.5) H47(0.5) C48(0.5) H48A(0.5)
 H48B(0.5) H48C(0.5) C49(0.5) H49A(0.5) H49B(0.5) H49C(0.5) N17(0.5) O23(0.5)
6.a Riding coordinates:
 C21(H21A,H21B,H21C), C45(H45A,H45B,H45C)
6.b Ternary CH refined with riding coordinates:
 C1(H1), C5(H5), C27(H27), C30(H30), C31(H31), C32(H32), C38(H38), C40(H40)
6.c Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C7(H7A,H7B), C28(H28A,H28B), C29(H29A,H29B),
 C33(H33A,H33B), C36(H36A,H36B), C37(H37A,H37B), C39(H39A,H39B)
6.d Aromatic/amide H refined with riding coordinates:
 C6(H6), C8(H8), C10(H10), C16(H16), C41(H41), C44(H44), C47(H47)
6.e Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,
 H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C17(H17A,H17B,H17C), C18(H18A,
 H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C),
 C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C46(H46A,H46B,H46C), C48(H48A,H48B,
 H48C), C49(H49A,H49B,H49C)
;
_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
Ag1 Ag 0.63705(4) 0.86108(4) 0.37467(3) 0.04159(15) Uani 1 1 d . . . . .
Ag2 Ag 0.38833(4) 1.12481(4) 0.37003(3) 0.04601(16) Uani 1 1 d . . . . .
Ag3 Ag 0.41338(4) 0.91862(4) 0.42105(3) 0.04511(16) Uani 1 1 d . . . . .
Ag4 Ag 0.47956(4) 1.22579(4) 0.47179(3) 0.04826(16) Uani 1 1 d . . . . .
Ag5 Ag 0.3778(6) 0.8705(7) 0.68441(13) 0.0643(12) Uani 0.85(3) 1 d . . P A 1
Ag6 Ag 0.2758(4) 1.0226(4) 0.5419(4) 0.0475(9) Uani 0.69(4) 1 d . . P A 1
Ag7 Ag 0.252(3) 1.0259(7) 0.5292(11) 0.064(3) Uani 0.31(4) 1 d . . P A 2
Ag8 Ag 0.349(3) 0.901(3) 0.6828(11) 0.060(4) Uani 0.15(3) 1 d . . P A 2
C1 C 0.2113(5) 1.2772(5) 0.4790(4) 0.0456(16) Uani 1 1 d . . . B 1
H1 H 0.2341 1.3224 0.4361 0.055 Uiso 1 1 calc R . . B 1
C2 C 0.4984(6) 0.9891(6) 0.2269(4) 0.0510(18) Uani 1 1 d . U . . .
C3 C 0.0890(6) 0.5865(6) 0.9515(4) 0.0495(17) Uani 1 1 d . . . . .
H3A H 0.1347 0.5442 0.9220 0.059 Uiso 1 1 calc R . . . .
H3B H 0.0452 0.6259 0.9177 0.059 Uiso 1 1 calc R . . . .
C4 C 0.1459(6) 0.6458(6) 0.9802(4) 0.0526(19) Uani 1 1 d . . . . .
H4A H 0.1010 0.6877 1.0105 0.063 Uiso 1 1 calc R . . . .
H4B H 0.1918 0.6068 1.0126 0.063 Uiso 1 1 calc R . . . .
C5 C 0.2607(5) 0.7817(5) 0.5480(4) 0.0433(15) Uani 1 1 d . . . . .
H5 H 0.2610 0.7788 0.4941 0.052 Uiso 1 1 calc R . . . .
C6 C 0.1525(6) 0.7734(6) 0.8753(5) 0.056(2) Uani 1 1 d . . . . .
H6 H 0.0856 0.7926 0.8893 0.068 Uiso 1 1 calc R . . . .
C7 C 0.0282(6) 0.5298(6) 1.0150(4) 0.0507(18) Uani 1 1 d . . . . .
H7A H 0.0718 0.4904 1.0489 0.061 Uiso 1 1 calc R . . . .
H7B H -0.0179 0.5719 1.0443 0.061 Uiso 1 1 calc R . . . .
C8 C 0.2028(7) 0.8206(7) 0.8117(5) 0.064(2) Uani 1 1 d . . . . .
H8 H 0.1676 0.8697 0.7821 0.076 Uiso 1 1 calc R . . . .
C9 C 0.2941(6) 0.6859(5) 0.5867(6) 0.057(2) Uani 1 1 d . . . . .
H9A H 0.3594 0.6634 0.5640 0.085 Uiso 1 1 calc GR . . . .
H9B H 0.2499 0.6457 0.5813 0.085 Uiso 1 1 calc GR . . . .
H9C H 0.2946 0.6869 0.6397 0.085 Uiso 1 1 calc GR . . . .
C10 C 0.3465(7) 0.7277(6) 0.8350(5) 0.062(2) Uani 1 1 d . . . . .
H10 H 0.4145 0.7122 0.8231 0.074 Uiso 1 1 calc R . . . .
C11 C 0.1593(6) 0.8227(7) 0.5786(6) 0.064(2) Uani 1 1 d . . . . .
H11A H 0.1576 0.8282 0.6310 0.096 Uiso 1 1 calc GR . . . .
H11B H 0.1136 0.7832 0.5746 0.096 Uiso 1 1 calc GR . . . .
H11C H 0.1412 0.8832 0.5499 0.096 Uiso 1 1 calc GR . . . .
C12 C 0.4864(8) 1.4464(7) 0.2508(5) 0.069(3) Uani 1 1 d . . . . .
H12A H 0.4723 1.5054 0.2685 0.104 Uiso 1 1 calc GR . . . .
H12B H 0.4659 1.4537 0.2014 0.104 Uiso 1 1 calc GR . . . .
H12C H 0.5560 1.4239 0.2476 0.104 Uiso 1 1 calc GR . . . .
C13 C 0.4678(9) 1.0806(8) 0.1823(5) 0.076(3) Uani 1 1 d . U . . .
H13A H 0.4145 1.1151 0.2116 0.115 Uiso 1 1 calc GR . . . .
H13B H 0.4465 1.0723 0.1363 0.115 Uiso 1 1 calc GR . . . .
H13C H 0.5225 1.1141 0.1699 0.115 Uiso 1 1 calc GR . . . .
C14 C 0.1265(6) 1.2437(8) 0.4577(6) 0.073(3) Uani 1 1 d . . . B 1
H14A H 0.1470 1.2176 0.4116 0.109 Uiso 1 1 calc GR . . B 1
H14B H 0.0736 1.2948 0.4500 0.109 Uiso 1 1 calc GR . . B 1
H14C H 0.1044 1.1969 0.4977 0.109 Uiso 1 1 calc GR . . B 1
C15 C 0.1872(8) 1.3239(7) 0.5468(6) 0.077(3) Uani 1 1 d . . . B 1
H15A H 0.1595 1.2829 0.5889 0.116 Uiso 1 1 calc GR . . B 1
H15B H 0.1403 1.3795 0.5366 0.116 Uiso 1 1 calc GR . . B 1
H15C H 0.2462 1.3396 0.5588 0.116 Uiso 1 1 calc GR . . B 1
C16 C 0.2989(7) 0.6758(7) 0.8974(6) 0.065(2) Uani 1 1 d . . . . .
H16 H 0.3337 0.6251 0.9259 0.078 Uiso 1 1 calc R . . . .
C17 C 0.5813(9) 0.5599(8) 0.4028(7) 0.085(3) Uani 1 1 d . . . . .
H17A H 0.6224 0.5266 0.3652 0.128 Uiso 1 1 calc GR . . . .
H17B H 0.5268 0.5282 0.4245 0.128 Uiso 1 1 calc GR . . . .
H17C H 0.6191 0.5631 0.4420 0.128 Uiso 1 1 calc GR . . . .
C18 C 0.9780(13) 0.8552(14) 0.2928(13) 0.062(4) Uani 0.5 1 d . . P C 1
H18A H 0.9825 0.8259 0.3445 0.092 Uiso 0.5 1 calc GR . P C 1
H18B H 1.0252 0.8970 0.2775 0.092 Uiso 0.5 1 calc GR . P C 1
H18C H 0.9914 0.8086 0.2602 0.092 Uiso 0.5 1 calc GR . P C 1
C19 C 0.0762(8) 1.0534(10) 0.3583(9) 0.099(4) Uani 1 1 d . . . . .
H19A H 0.0653 1.0678 0.4091 0.149 Uiso 1 1 calc GR . . . .
H19B H 0.0424 1.0031 0.3567 0.149 Uiso 1 1 calc GR . . . .
H19C H 0.0516 1.1071 0.3240 0.149 Uiso 1 1 calc GR . . . .
C20 C 0.5874(10) 0.9331(10) 0.1902(6) 0.073(3) Uani 0.75 1 d . U P D 1
H20A H 0.6369 0.9718 0.1708 0.109 Uiso 0.75 1 calc GR . P D 1
H20B H 0.5701 0.9089 0.1492 0.109 Uiso 0.75 1 calc GR . P D 1
H20C H 0.6128 0.8825 0.2270 0.109 Uiso 0.75 1 calc GR . P D 1
C21 C 0.8716(18) 0.9344(19) 0.3742(15) 0.083(6) Uani 0.5 1 d . U P C 2
H21A H 0.8078 0.9552 0.4002 0.125 Uiso 0.5 1 d R . P C 2
H21B H 0.9128 0.9808 0.3696 0.125 Uiso 0.5 1 d R . P C 2
H21C H 0.9011 0.8774 0.4024 0.125 Uiso 0.5 1 d R . P C 2
C22 C 0.460(4) 0.918(3) 0.222(2) 0.079(7) Uani 0.25 1 d . U P D 2
H22A H 0.5099 0.8708 0.2028 0.118 Uiso 0.25 1 calc GR . P D 2
H22B H 0.4101 0.9363 0.1884 0.118 Uiso 0.25 1 calc GR . P D 2
H22C H 0.4299 0.8929 0.2717 0.118 Uiso 0.25 1 calc GR . P D 2
N1 N 0.2987(5) 0.7986(5) 0.7918(3) 0.0515(16) Uani 1 1 d . . . . .
N2 N 0.2011(5) 0.7008(4) 0.9155(3) 0.0451(14) Uani 1 1 d . . . . .
O1 O 0.6242(4) 0.7180(4) 0.3369(3) 0.0532(13) Uani 1 1 d . . . . .
O2 O 0.4492(4) 1.3683(4) 0.3887(3) 0.0521(13) Uani 1 1 d . . . . .
O3 O 0.4909(4) 0.6633(4) 0.2963(3) 0.0566(14) Uani 1 1 d . . . . .
O4 O 0.2446(4) 1.1067(4) 0.3155(3) 0.0585(14) Uani 1 1 d . . . . .
O5 O 0.7981(4) 0.8485(4) 0.2953(3) 0.0608(15) Uani 1 1 d . U . . .
O6 O 0.4671(4) 0.7182(5) 0.4168(3) 0.0675(18) Uani 1 1 d . . . . .
O7 O 0.3202(4) 1.4011(5) 0.3092(4) 0.0660(16) Uani 1 1 d . . . . .
O8 O 0.4552(5) 1.2762(4) 0.2898(3) 0.0582(14) Uani 1 1 d . . . . .
O9 O 0.2085(7) 0.9796(6) 0.2628(5) 0.099(3) Uani 1 1 d . . . . .
O10 O 0.8300(8) 0.9870(7) 0.3309(6) 0.075(2) Uani 0.75 1 d . U P C 1
O11 O 0.2424(6) 0.9555(6) 0.3899(5) 0.097(2) Uani 1 1 d . U . . .
O12 O 0.8658(10) 0.9636(8) 0.2026(6) 0.103(3) Uani 0.75 1 d . U P C 1
O13 O 0.964(3) 0.901(3) 0.245(2) 0.099(8) Uani 0.25 1 d . U P C 2
O14 O 0.806(3) 1.001(2) 0.264(2) 0.093(5) Uani 0.25 1 d . U P C 2
S1 S 0.52261(11) 1.00261(11) 0.32205(8) 0.0326(3) Uani 1 1 d . . . . .
S2 S 0.31463(11) 1.17785(11) 0.49202(9) 0.0364(3) Uani 1 1 d . . . . .
S3 S 0.34852(11) 0.85873(11) 0.55430(8) 0.0345(3) Uani 1 1 d . . . . .
S4 S 0.42267(13) 1.36672(12) 0.31432(9) 0.0421(4) Uani 1 1 d . . . . .
S5 S 0.53663(13) 0.67331(13) 0.35980(9) 0.0445(4) Uani 1 1 d . . . . .
S6 S 0.20161(16) 1.02093(16) 0.33167(14) 0.0615(5) Uani 1 1 d . . . . .
S7 S 0.85958(17) 0.91737(17) 0.28590(16) 0.0702(7) Uani 1 1 d . U . . .
C23 C 0.9833(5) 0.6809(5) 0.1760(4) 0.0431(15) Uani 1 1 d . . . . .
C24 C 0.8624(5) 0.7884(5) -0.0183(4) 0.0447(16) Uani 1 1 d . . . . .
C25 C 1.2105(6) 0.4814(6) 0.1684(4) 0.0458(16) Uani 1 1 d . . . . .
C26 C 0.8063(5) 0.4966(6) 0.2243(4) 0.0441(16) Uani 1 1 d . . . . .
C27 C 0.7157(5) 0.7489(6) 0.0522(4) 0.0456(16) Uani 1 1 d . . . . .
H27 H 0.6639 0.7942 0.0747 0.055 Uiso 1 1 calc R . . . .
C28 C 1.3287(6) 0.3634(6) 0.1078(4) 0.0504(18) Uani 1 1 d . . . . .
H28A H 1.3701 0.3111 0.1339 0.060 Uiso 1 1 calc R . . . .
H28B H 1.3657 0.4147 0.0938 0.060 Uiso 1 1 calc R . . . .
C29 C 0.8460(6) 0.7856(6) 0.1203(4) 0.0490(17) Uani 1 1 d . . . . .
H29A H 0.8963 0.8252 0.1051 0.059 Uiso 1 1 calc R . . . .
H29B H 0.7912 0.8187 0.1504 0.059 Uiso 1 1 calc R . . . .
C30 C 0.7101(5) 0.7529(6) -0.0344(4) 0.0477(17) Uani 1 1 d . . . . .
H30 H 0.6564 0.8009 -0.0520 0.057 Uiso 1 1 calc R . . . .
C31 C 1.1206(5) 0.3917(5) 0.2663(4) 0.0443(16) Uani 1 1 d . . . . .
H31 H 1.1364 0.3834 0.3184 0.053 Uiso 1 1 calc R . . . .
C32 C 0.9035(5) 0.5808(5) 0.2715(4) 0.0448(16) Uani 1 1 d . . . . .
H32 H 0.8916 0.5858 0.3257 0.054 Uiso 1 1 calc R . . . .
C33 C 0.9329(6) 0.4028(6) 0.3000(4) 0.0468(17) Uani 1 1 d . . . . .
H33A H 0.9404 0.4123 0.3504 0.056 Uiso 1 1 calc R . . . .
H33B H 0.8879 0.3586 0.3060 0.056 Uiso 1 1 calc R . . . .
C34 C 0.6832(5) 0.6066(6) 0.0308(4) 0.0480(17) Uani 1 1 d . . . . .
C35 C 1.0377(5) 0.2908(5) 0.2240(4) 0.0430(15) Uani 1 1 d . . . . .
C36 C 1.1716(6) 0.1977(6) 0.1511(4) 0.0505(18) Uani 1 1 d . . . . .
H36A H 1.1238 0.1556 0.1605 0.061 Uiso 1 1 calc R . . . .
H36B H 1.2313 0.1636 0.1706 0.061 Uiso 1 1 calc R . . . .
C37 C 1.0918(6) 0.5672(6) 0.2569(4) 0.0486(17) Uani 1 1 d . . . . .
H37A H 1.1370 0.6115 0.2396 0.058 Uiso 1 1 calc R . . . .
H37B H 1.0874 0.5529 0.3119 0.058 Uiso 1 1 calc R . . . .
C38 C 0.8254(5) 0.6491(6) 0.2275(4) 0.0474(17) Uani 1 1 d . . . . .
H38 H 0.7816 0.6899 0.2602 0.057 Uiso 1 1 calc R . . . .
C39 C 0.6846(5) 0.6208(6) 0.1649(4) 0.0495(18) Uani 1 1 d . . . . .
H39A H 0.6451 0.6711 0.1894 0.059 Uiso 1 1 calc R . . . .
H39B H 0.6462 0.5707 0.1731 0.059 Uiso 1 1 calc R . . . .
C40 C 1.1953(6) 0.3262(6) 0.2174(4) 0.0471(17) Uani 1 1 d . . . . .
H40 H 1.2437 0.2859 0.2479 0.057 Uiso 1 1 calc R . . . .
N3 N 0.8893(5) 0.4903(4) 0.2590(3) 0.0456(14) Uani 1 1 d . . . . .
N4 N 0.9948(5) 0.6101(5) 0.2364(4) 0.0485(14) Uani 1 1 d . . . . .
N5 N 1.0275(5) 0.3627(5) 0.2641(3) 0.0472(14) Uani 1 1 d . . . . .
N6 N 1.1316(4) 0.4834(4) 0.2256(3) 0.0456(13) Uani 1 1 d . . . . .
N7 N 0.8858(5) 0.7016(4) 0.1666(3) 0.0453(14) Uani 1 1 d . . . . .
N8 N 0.8124(5) 0.7693(5) 0.0530(3) 0.0477(14) Uani 1 1 d . . . . .
N9 N 0.6935(5) 0.6624(5) -0.0387(3) 0.0486(14) Uani 1 1 d . . . . .
N10 N 0.7724(5) 0.5881(5) 0.2012(4) 0.0478(14) Uani 1 1 d . . . . .
N11 N 0.8063(5) 0.7749(5) -0.0699(3) 0.0475(14) Uani 1 1 d . . . . .
N12 N 0.7024(5) 0.6536(5) 0.0837(3) 0.0487(14) Uani 1 1 d . . . . .
N13 N 1.1340(5) 0.2727(5) 0.1926(3) 0.0457(14) Uani 1 1 d . . . . .
N14 N 1.2419(5) 0.3902(4) 0.1590(3) 0.0465(14) Uani 1 1 d . . . . .
O15 O 1.0485(4) 0.7212(4) 0.1386(3) 0.0531(13) Uani 1 1 d . . . . .
O16 O 0.9418(4) 0.8144(4) -0.0340(3) 0.0541(13) Uani 1 1 d . . . . .
O17 O 1.2439(4) 0.5480(4) 0.1323(3) 0.0566(14) Uani 1 1 d . . . . .
O18 O 0.9723(4) 0.2487(4) 0.2193(3) 0.0565(14) Uani 1 1 d . . . . .
O19 O 0.7686(4) 0.4314(4) 0.2159(3) 0.0510(12) Uani 1 1 d . . . . .
O20 O 0.6615(5) 0.5288(4) 0.0431(3) 0.0582(14) Uani 1 1 d . . . . .
C41 C 0.1258(11) 0.6763(14) 0.4407(11) 0.119(5) Uani 1 1 d . . . . .
H41 H 0.0836 0.7328 0.4335 0.142 Uiso 1 1 calc R . . . .
C42 C 0.2372(12) 0.7374(12) 0.3359(9) 0.122(5) Uani 1 1 d D . . . .
H42A H 0.2467 0.7171 0.2873 0.183 Uiso 1 1 calc GR . . . .
H42B H 0.2981 0.7511 0.3459 0.183 Uiso 1 1 calc GR . . . .
H42C H 0.1879 0.7922 0.3357 0.183 Uiso 1 1 calc GR . . . .
C43 C 0.2713(10) 0.5774(10) 0.4030(12) 0.131(6) Uani 1 1 d D . . . .
H43A H 0.2452 0.5363 0.4458 0.197 Uiso 1 1 calc GR . . . .
H43B H 0.3345 0.5880 0.4111 0.197 Uiso 1 1 calc GR . . . .
H43C H 0.2784 0.5499 0.3578 0.197 Uiso 1 1 calc GR . . . .
N15 N 0.2051(6) 0.6646(6) 0.3944(6) 0.086(3) Uani 1 1 d D . . . .
O21 O 0.1008(8) 0.6134(11) 0.4976(8) 0.141(4) Uani 1 1 d . . . . .
C44 C 0.4509(11) 0.7916(12) 0.0131(9) 0.053(4) Uani 0.5 1 d D . P . .
H44 H 0.4558 0.8545 0.0022 0.064 Uiso 0.5 1 calc R . P . .
C45 C 0.417(2) 0.6710(16) 0.1053(18) 0.113(10) Uani 0.5 1 d D . P . .
H45A H 0.4209 0.6399 0.0623 0.169 Uiso 0.5 1 d R . P . .
H45B H 0.3525 0.6707 0.1343 0.169 Uiso 0.5 1 d R . P . .
H45C H 0.4661 0.6393 0.1366 0.169 Uiso 0.5 1 d R . P . .
C46 C 0.411(2) 0.8162(17) 0.1425(12) 0.092(7) Uani 0.5 1 d . . P . .
H46A H 0.4349 0.8737 0.1216 0.138 Uiso 0.5 1 calc GR . P . .
H46B H 0.4474 0.7846 0.1835 0.138 Uiso 0.5 1 calc GR . P . .
H46C H 0.3425 0.8288 0.1612 0.138 Uiso 0.5 1 calc GR . P . .
N16 N 0.4255(11) 0.7590(10) 0.0848(7) 0.058(3) Uani 0.5 1 d D . P . .
O22 O 0.4687(9) 0.7497(9) -0.0407(7) 0.065(3) Uani 0.5 1 d . . P . .
C47 C 0.2753(13) 1.0052(10) 0.0622(9) 0.050(4) Uani 0.5 1 d . . P . .
H47 H 0.2733 1.0105 0.1130 0.060 Uiso 0.5 1 calc R . P . .
C48 C 0.135(2) 0.940(2) 0.1023(13) 0.110(10) Uani 0.5 1 d D . P . .
H48A H 0.1464 0.8735 0.1178 0.165 Uiso 0.5 1 calc GR . P . .
H48B H 0.0708 0.9581 0.0855 0.165 Uiso 0.5 1 calc GR . P . .
H48C H 0.1369 0.9701 0.1446 0.165 Uiso 0.5 1 calc GR . P . .
C49 C 0.205(2) 0.9605(18) -0.0315(11) 0.103(10) Uani 0.5 1 d D . P . .
H49A H 0.2328 1.0120 -0.0623 0.155 Uiso 0.5 1 calc GR . P . .
H49B H 0.1390 0.9634 -0.0411 0.155 Uiso 0.5 1 calc GR . P . .
H49C H 0.2445 0.9032 -0.0438 0.155 Uiso 0.5 1 calc GR . P . .
N17 N 0.2057(13) 0.9645(9) 0.0439(7) 0.063(4) Uani 0.5 1 d D . P . .
O23 O 0.3381(10) 1.0345(8) 0.0188(7) 0.061(3) Uani 0.5 1 d . . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag3 3.0907(7) . ?
Ag1 Ag4 3.1623(7) 2_676 ?
Ag1 Ag6 3.004(5) 2_676 ?
Ag1 Ag7 3.33(4) 2_676 ?
Ag1 O1 2.387(5) . ?
Ag1 O5 2.453(5) . ?
Ag1 S1 2.5192(16) . ?
Ag1 S2 2.5366(16) 2_676 ?
Ag2 Ag3 2.9966(8) . ?
Ag2 Ag4 3.1107(8) . ?
Ag2 Ag5 3.255(7) 2_676 ?
Ag2 O4 2.444(5) . ?
Ag2 S1 2.5112(15) . ?
Ag2 S2 2.4727(15) . ?
Ag3 Ag4 2.9596(7) 2_676 ?
Ag3 Ag6 3.093(4) . ?
Ag3 Ag7 3.126(12) . ?
Ag3 O11 2.472(8) . ?
Ag3 S1 2.4648(15) . ?
Ag3 S3 2.4909(15) . ?
Ag4 Ag1 3.1622(7) 2_676 ?
Ag4 Ag3 2.9595(7) 2_676 ?
Ag4 O2 2.366(5) . ?
Ag4 O6 2.568(6) 2_676 ?
Ag4 S2 2.4809(17) . ?
Ag4 S3 2.4998(16) 2_676 ?
Ag5 Ag2 3.255(7) 2_676 ?
Ag5 N1 2.259(6) . ?
Ag5 S1 2.512(4) 2_676 ?
Ag5 S3 2.487(3) . ?
Ag6 Ag1 3.003(5) 2_676 ?
Ag6 O10 2.516(10) 2_676 ?
Ag6 S2 2.439(5) . ?
Ag6 S3 2.433(6) . ?
Ag7 Ag1 3.33(4) 2_676 ?
Ag7 Ag8 3.37(5) . ?
Ag7 S2 2.51(2) . ?
Ag7 S3 2.587(15) . ?
Ag8 N1 2.35(3) . ?
Ag8 O14 2.52(5) 2_676 ?
Ag8 S1 2.463(15) 2_676 ?
Ag8 S3 2.513(15) . ?
C1 C14 1.491(12) . ?
C1 C15 1.474(11) . ?
C1 S2 1.866(7) . ?
C2 C13 1.470(13) . ?
C2 C20 1.488(13) . ?
C2 C22 1.30(5) . ?
C2 S1 1.853(7) . ?
C3 C4 1.492(11) . ?
C3 C7 1.530(10) . ?
C4 N2 1.489(9) . ?
C5 C9 1.488(11) . ?
C5 C11 1.490(10) . ?
C5 S3 1.851(7) . ?
C6 C8 1.388(12) . ?
C6 N2 1.319(11) . ?
C7 C7 1.502(15) 2_567 ?
C8 N1 1.320(11) . ?
C10 C16 1.391(12) . ?
C10 N1 1.327(12) . ?
C12 S4 1.752(9) . ?
C16 N2 1.345(10) . ?
C17 S5 1.760(11) . ?
C18 S7 1.742(19) . ?
C19 S6 1.735(11) . ?
C21 Ag7 2.32(3) 2_676 ?
C21 S7 1.69(2) . ?
O1 S5 1.461(6) . ?
O2 S4 1.453(5) . ?
O3 S5 1.439(6) . ?
O4 S6 1.467(6) . ?
O5 S7 1.421(6) . ?
O6 Ag4 2.568(6) 2_676 ?
O6 S5 1.458(6) . ?
O7 S4 1.434(6) . ?
O8 S4 1.457(6) . ?
O9 S6 1.463(8) . ?
O10 Ag6 2.516(10) 2_676 ?
O10 S7 1.390(9) . ?
O11 S6 1.406(8) . ?
O12 S7 1.529(11) . ?
O13 S7 1.52(3) . ?
O14 Ag8 2.52(5) 2_676 ?
O14 S7 1.34(4) . ?
S1 Ag5 2.512(4) 2_676 ?
S1 Ag8 2.463(15) 2_676 ?
S2 Ag1 2.5366(16) 2_676 ?
S3 Ag4 2.4998(16) 2_676 ?
C23 N4 1.374(10) . ?
C23 N7 1.365(10) . ?
C23 O15 1.222(9) . ?
C24 N8 1.368(9) . ?
C24 N11 1.369(10) . ?
C24 O16 1.212(9) . ?
C25 N6 1.380(9) . ?
C25 N14 1.373(10) . ?
C25 O17 1.206(9) . ?
C26 N3 1.380(10) . ?
C26 N10 1.360(10) . ?
C26 O19 1.225(9) . ?
C27 C30 1.565(10) . ?
C27 N8 1.436(10) . ?
C27 N12 1.456(10) . ?
C28 N9 1.462(10) 2_765 ?
C28 N14 1.438(9) . ?
C29 N7 1.437(10) . ?
C29 N8 1.443(10) . ?
C30 N9 1.419(11) . ?
C30 N11 1.457(10) . ?
C31 C40 1.561(10) . ?
C31 N5 1.447(10) . ?
C31 N6 1.445(10) . ?
C32 C38 1.551(11) . ?
C32 N3 1.452(10) . ?
C32 N4 1.434(10) . ?
C33 N3 1.447(10) . ?
C33 N5 1.442(9) . ?
C34 N9 1.373(10) . ?
C34 N12 1.364(10) . ?
C34 O20 1.218(10) . ?
C35 N5 1.368(10) . ?
C35 N13 1.366(9) . ?
C35 O18 1.218(9) . ?
C36 N11 1.446(9) 2_765 ?
C36 N13 1.424(10) . ?
C37 N4 1.456(10) . ?
C37 N6 1.437(10) . ?
C38 N7 1.468(10) . ?
C38 N10 1.451(10) . ?
C39 N10 1.441(10) . ?
C39 N12 1.454(9) . ?
C40 N13 1.436(10) . ?
C40 N14 1.440(10) . ?
N9 C28 1.462(10) 2_765 ?
N11 C36 1.446(9) 2_765 ?
C41 N15 1.277(17) . ?
C41 O21 1.30(2) . ?
C42 N15 1.446(12) . ?
C43 N15 1.438(12) . ?
C44 N16 1.312(16) . ?
C44 O22 1.21(2) . ?
C45 N16 1.312(17) . ?
C46 N16 1.43(3) . ?
C47 N17 1.34(2) . ?
C47 O23 1.17(2) . ?
C48 N17 1.37(2) . ?
C49 N17 1.372(19) . ?

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
Ag3 Ag1 Ag4 56.484(16) . 2_676 ?
Ag3 Ag1 Ag7 105.8(4) . 2_676 ?
Ag4 Ag1 Ag7 90.38(19) 2_676 2_676 ?
Ag6 Ag1 Ag3 102.13(9) 2_676 . ?
Ag6 Ag1 Ag4 91.03(11) 2_676 2_676 ?
O1 Ag1 Ag3 95.65(13) . . ?
O1 Ag1 Ag4 82.34(13) . 2_676 ?
O1 Ag1 Ag6 153.3(2) . 2_676 ?
O1 Ag1 Ag7 148.4(4) . 2_676 ?
O1 Ag1 O5 85.50(18) . . ?
O1 Ag1 S1 116.08(15) . . ?
O1 Ag1 S2 107.13(15) . 2_676 ?
O5 Ag1 Ag3 159.55(17) . . ?
O5 Ag1 Ag4 143.47(17) . 2_676 ?
O5 Ag1 Ag6 84.66(16) . 2_676 ?
O5 Ag1 Ag7 82.3(3) . 2_676 ?
O5 Ag1 S1 110.45(17) . . ?
O5 Ag1 S2 102.17(16) . 2_676 ?
S1 Ag1 Ag3 50.89(3) . . ?
S1 Ag1 Ag4 105.84(4) . 2_676 ?
S1 Ag1 Ag6 90.58(16) . 2_676 ?
S1 Ag1 Ag7 95.5(4) . 2_676 ?
S1 Ag1 S2 126.78(5) . 2_676 ?
S2 Ag1 Ag3 97.01(4) 2_676 . ?
S2 Ag1 Ag4 50.15(4) 2_676 2_676 ?
S2 Ag1 Ag6 51.40(16) 2_676 2_676 ?
S2 Ag1 Ag7 48.3(2) 2_676 2_676 ?
Ag3 Ag2 Ag4 112.36(2) . . ?
Ag3 Ag2 Ag5 95.01(17) . 2_676 ?
Ag4 Ag2 Ag5 67.50(10) . 2_676 ?
O4 Ag2 Ag3 86.15(15) . . ?
O4 Ag2 Ag4 149.03(15) . . ?
O4 Ag2 Ag5 138.05(15) . 2_676 ?
O4 Ag2 S1 103.86(16) . . ?
O4 Ag2 S2 102.99(15) . . ?
S1 Ag2 Ag3 52.27(4) . . ?
S1 Ag2 Ag4 107.10(4) . . ?
S1 Ag2 Ag5 49.62(17) . 2_676 ?
S2 Ag2 Ag3 99.45(4) . . ?
S2 Ag2 Ag4 51.22(4) . . ?
S2 Ag2 Ag5 118.03(9) . 2_676 ?
S2 Ag2 S1 138.76(5) . . ?
Ag1 Ag3 Ag6 138.18(13) . . ?
Ag1 Ag3 Ag7 145.6(8) . . ?
Ag2 Ag3 Ag1 101.34(2) . . ?
Ag2 Ag3 Ag6 69.23(12) . . ?
Ag2 Ag3 Ag7 68.1(2) . . ?
Ag4 Ag3 Ag1 62.979(17) 2_676 . ?
Ag4 Ag3 Ag2 139.43(3) 2_676 . ?
Ag4 Ag3 Ag6 97.04(17) 2_676 . ?
Ag4 Ag3 Ag7 103.0(5) 2_676 . ?
O11 Ag3 Ag1 150.7(2) . . ?
O11 Ag3 Ag2 77.5(2) . . ?
O11 Ag3 Ag4 134.86(19) . 2_676 ?
O11 Ag3 Ag6 69.4(3) . . ?
O11 Ag3 Ag7 61.6(8) . . ?
O11 Ag3 S3 89.0(2) . . ?
S1 Ag3 Ag1 52.47(4) . . ?
S1 Ag3 Ag2 53.68(4) . . ?
S1 Ag3 Ag4 113.68(4) . 2_676 ?
S1 Ag3 Ag6 120.09(10) . . ?
S1 Ag3 Ag7 120.9(3) . . ?
S1 Ag3 O11 110.1(2) . . ?
S1 Ag3 S3 154.73(6) . . ?
S3 Ag3 Ag1 115.83(4) . . ?
S3 Ag3 Ag2 118.66(4) . . ?
S3 Ag3 Ag4 53.77(4) . 2_676 ?
S3 Ag3 Ag6 50.26(14) . . ?
S3 Ag3 Ag7 53.4(3) . . ?
Ag2 Ag4 Ag1 94.35(2) . 2_676 ?
Ag3 Ag4 Ag1 60.537(16) 2_676 2_676 ?
Ag3 Ag4 Ag2 107.65(2) 2_676 . ?
O2 Ag4 Ag1 132.96(15) . 2_676 ?
O2 Ag4 Ag2 90.96(13) . . ?
O2 Ag4 Ag3 157.04(14) . 2_676 ?
O2 Ag4 O6 100.6(2) . 2_676 ?
O2 Ag4 S2 100.44(14) . . ?
O2 Ag4 S3 112.78(15) . 2_676 ?
O6 Ag4 Ag1 71.22(14) 2_676 2_676 ?
O6 Ag4 Ag2 165.38(15) 2_676 . ?
O6 Ag4 Ag3 63.68(17) 2_676 2_676 ?
S2 Ag4 Ag1 51.72(4) . 2_676 ?
S2 Ag4 Ag2 50.98(4) . . ?
S2 Ag4 Ag3 101.73(4) . 2_676 ?
S2 Ag4 O6 117.26(13) . 2_676 ?
S2 Ag4 S3 133.46(6) . 2_676 ?
S3 Ag4 Ag1 113.15(4) 2_676 2_676 ?
S3 Ag4 Ag2 95.43(4) 2_676 . ?
S3 Ag4 Ag3 53.49(4) 2_676 2_676 ?
S3 Ag4 O6 88.42(14) 2_676 2_676 ?
N1 Ag5 Ag2 131.0(4) . 2_676 ?
N1 Ag5 S1 125.3(2) . 2_676 ?
N1 Ag5 S3 123.61(19) . . ?
S1 Ag5 Ag2 49.60(11) 2_676 2_676 ?
S3 Ag5 Ag2 92.18(19) . 2_676 ?
S3 Ag5 S1 109.86(11) . 2_676 ?
Ag1 Ag6 Ag3 118.34(16) 2_676 . ?
O10 Ag6 Ag1 77.1(3) 2_676 2_676 ?
O10 Ag6 Ag3 148.0(3) 2_676 . ?
S2 Ag6 Ag1 54.37(9) . 2_676 ?
S2 Ag6 Ag3 97.66(16) . . ?
S2 Ag6 O10 113.4(3) . 2_676 ?
S3 Ag6 Ag1 115.5(3) . 2_676 ?
S3 Ag6 Ag3 51.92(8) . . ?
S3 Ag6 O10 96.5(3) . 2_676 ?
S3 Ag6 S2 142.1(2) . . ?
Ag1 Ag7 Ag8 63.3(7) 2_676 . ?
Ag3 Ag7 Ag1 108.3(11) . 2_676 ?
Ag3 Ag7 Ag8 90.9(8) . . ?
S2 Ag7 Ag1 49.1(6) . 2_676 ?
S2 Ag7 Ag3 95.4(6) . . ?
S2 Ag7 Ag8 110.4(14) . . ?
S2 Ag7 S3 129.6(15) . . ?
S3 Ag7 Ag1 101.6(12) . 2_676 ?
S3 Ag7 Ag3 50.6(2) . . ?
S3 Ag7 Ag8 47.8(7) . . ?
N1 Ag8 Ag7 137.5(12) . . ?
N1 Ag8 O14 79.6(9) . 2_676 ?
N1 Ag8 S1 123.3(12) . 2_676 ?
N1 Ag8 S3 118.5(9) . . ?
O14 Ag8 Ag7 75.0(14) 2_676 . ?
S1 Ag8 Ag7 95.7(11) 2_676 . ?
S1 Ag8 O14 103.4(13) 2_676 2_676 ?
S1 Ag8 S3 110.6(5) 2_676 . ?
S3 Ag8 Ag7 49.6(7) . . ?
S3 Ag8 O14 115.9(18) . 2_676 ?
C14 C1 S2 109.2(6) . . ?
C15 C1 C14 114.5(8) . . ?
C15 C1 S2 110.5(6) . . ?
C13 C2 C20 114.2(9) . . ?
C13 C2 S1 110.4(6) . . ?
C20 C2 S1 108.4(7) . . ?
C22 C2 C13 121(2) . . ?
C22 C2 S1 117.7(18) . . ?
C4 C3 C7 113.2(6) . . ?
N2 C4 C3 110.3(6) . . ?
C9 C5 C11 113.6(7) . . ?
C9 C5 S3 109.8(5) . . ?
C11 C5 S3 109.5(6) . . ?
N2 C6 C8 119.0(8) . . ?
C7 C7 C3 112.4(7) 2_567 . ?
N1 C8 C6 122.6(9) . . ?
N1 C10 C16 122.5(8) . . ?
N2 C16 C10 118.2(8) . . ?
S7 C21 Ag7 128.3(17) . 2_676 ?
C8 N1 Ag5 122.1(7) . . ?
C8 N1 Ag8 109.6(12) . . ?
C8 N1 C10 117.1(7) . . ?
C10 N1 Ag5 120.6(6) . . ?
C10 N1 Ag8 133.2(12) . . ?
C6 N2 C4 119.1(7) . . ?
C6 N2 C16 120.5(7) . . ?
C16 N2 C4 120.4(7) . . ?
S5 O1 Ag1 122.8(3) . . ?
S4 O2 Ag4 118.5(3) . . ?
S6 O4 Ag2 123.3(3) . . ?
S7 O5 Ag1 122.1(3) . . ?
S5 O6 Ag4 123.2(3) . 2_676 ?
S7 O10 Ag6 127.2(5) . 2_676 ?
S6 O11 Ag3 129.9(5) . . ?
S7 O14 Ag8 137(2) . 2_676 ?
Ag2 S1 Ag1 138.82(6) . . ?
Ag2 S1 Ag5 80.8(3) . 2_676 ?
Ag3 S1 Ag1 76.64(4) . . ?
Ag3 S1 Ag2 74.05(4) . . ?
Ag3 S1 Ag5 135.92(12) . 2_676 ?
Ag5 S1 Ag1 101.6(2) 2_676 . ?
Ag8 S1 Ag1 89.7(11) 2_676 . ?
Ag8 S1 Ag2 92.4(9) 2_676 . ?
Ag8 S1 Ag3 137.0(4) 2_676 . ?
C2 S1 Ag1 109.3(3) . . ?
C2 S1 Ag2 107.4(3) . . ?
C2 S1 Ag3 109.5(3) . . ?
C2 S1 Ag5 112.4(3) . 2_676 ?
C2 S1 Ag8 113.5(5) . 2_676 ?
Ag2 S2 Ag1 133.41(6) . 2_676 ?
Ag2 S2 Ag4 77.80(5) . . ?
Ag2 S2 Ag7 87.0(3) . . ?
Ag4 S2 Ag1 78.13(5) . 2_676 ?
Ag4 S2 Ag7 135.0(7) . . ?
Ag6 S2 Ag1 74.23(19) . 2_676 ?
Ag6 S2 Ag2 89.58(13) . . ?
Ag6 S2 Ag4 126.86(18) . . ?
Ag7 S2 Ag1 82.7(7) . 2_676 ?
C1 S2 Ag1 114.3(2) . 2_676 ?
C1 S2 Ag2 111.8(2) . . ?
C1 S2 Ag4 113.7(3) . . ?
C1 S2 Ag6 118.9(3) . . ?
Ag3 S3 Ag4 72.74(4) . 2_676 ?
Ag3 S3 Ag7 76.0(2) . . ?
Ag3 S3 Ag8 135.5(4) . . ?
Ag4 S3 Ag7 138.8(6) 2_676 . ?
Ag4 S3 Ag8 101.7(10) 2_676 . ?
Ag5 S3 Ag3 137.03(8) . . ?
Ag5 S3 Ag4 90.4(3) . 2_676 ?
Ag6 S3 Ag3 77.82(15) . . ?
Ag6 S3 Ag4 133.66(12) . 2_676 ?
Ag6 S3 Ag5 87.4(3) . . ?
Ag8 S3 Ag7 82.6(12) . . ?
C5 S3 Ag3 106.4(2) . . ?
C5 S3 Ag4 108.9(2) . 2_676 ?
C5 S3 Ag5 116.5(2) . . ?
C5 S3 Ag6 113.4(3) . . ?
C5 S3 Ag7 105.1(9) . . ?
C5 S3 Ag8 116.8(4) . . ?
O2 S4 C12 105.7(4) . . ?
O2 S4 O8 112.4(3) . . ?
O7 S4 C12 105.3(5) . . ?
O7 S4 O2 112.5(4) . . ?
O7 S4 O8 112.9(4) . . ?
O8 S4 C12 107.3(4) . . ?
O1 S5 C17 104.6(5) . . ?
O3 S5 C17 106.4(5) . . ?
O3 S5 O1 113.0(3) . . ?
O3 S5 O6 112.6(4) . . ?
O6 S5 C17 107.7(5) . . ?
O6 S5 O1 111.9(3) . . ?
O4 S6 C19 106.5(5) . . ?
O9 S6 C19 105.0(6) . . ?
O9 S6 O4 111.3(5) . . ?
O11 S6 C19 109.8(7) . . ?
O11 S6 O4 112.9(4) . . ?
O11 S6 O9 110.9(6) . . ?
O5 S7 C18 105.0(7) . . ?
O5 S7 C21 107.0(9) . . ?
O5 S7 O12 107.3(6) . . ?
O5 S7 O13 120.6(14) . . ?
O10 S7 C18 115.5(8) . . ?
O10 S7 O5 116.8(4) . . ?
O10 S7 O12 107.9(7) . . ?
O12 S7 C18 103.1(9) . . ?
O13 S7 C21 105.2(19) . . ?
O14 S7 C21 97.3(18) . . ?
O14 S7 O5 108.3(16) . . ?
O14 S7 O13 115(2) . . ?
N7 C23 N4 108.5(6) . . ?
O15 C23 N4 125.9(7) . . ?
O15 C23 N7 125.5(7) . . ?
N8 C24 N11 108.2(6) . . ?
O16 C24 N8 126.5(7) . . ?
O16 C24 N11 125.3(7) . . ?
N14 C25 N6 107.5(6) . . ?
O17 C25 N6 126.0(8) . . ?
O17 C25 N14 126.5(7) . . ?
N10 C26 N3 108.5(7) . . ?
O19 C26 N3 126.2(7) . . ?
O19 C26 N10 125.3(7) . . ?
N8 C27 C30 103.5(5) . . ?
N8 C27 N12 115.0(6) . . ?
N12 C27 C30 102.4(6) . . ?
N14 C28 N9 113.1(6) . 2_765 ?
N7 C29 N8 113.3(6) . . ?
N9 C30 C27 103.4(6) . . ?
N9 C30 N11 115.5(6) . . ?
N11 C30 C27 102.6(6) . . ?
N5 C31 C40 102.6(6) . . ?
N6 C31 C40 103.0(6) . . ?
N6 C31 N5 115.4(6) . . ?
N3 C32 C38 103.2(6) . . ?
N4 C32 C38 103.5(6) . . ?
N4 C32 N3 116.1(6) . . ?
N5 C33 N3 114.7(6) . . ?
N12 C34 N9 107.6(7) . . ?
O20 C34 N9 126.3(8) . . ?
O20 C34 N12 126.0(7) . . ?
N13 C35 N5 108.4(6) . . ?
O18 C35 N5 125.4(7) . . ?
O18 C35 N13 126.2(7) . . ?
N13 C36 N11 114.8(7) . 2_765 ?
N6 C37 N4 113.7(6) . . ?
N7 C38 C32 103.1(6) . . ?
N10 C38 C32 103.5(6) . . ?
N10 C38 N7 114.2(6) . . ?
N10 C39 N12 114.8(6) . . ?
N13 C40 C31 103.7(6) . . ?
N13 C40 N14 116.0(6) . . ?
N14 C40 C31 103.3(6) . . ?
C26 N3 C32 111.6(6) . . ?
C26 N3 C33 121.1(6) . . ?
C33 N3 C32 124.0(6) . . ?
C23 N4 C32 112.8(6) . . ?
C23 N4 C37 121.8(7) . . ?
C32 N4 C37 125.3(7) . . ?
C33 N5 C31 125.4(6) . . ?
C35 N5 C31 112.6(6) . . ?
C35 N5 C33 122.0(6) . . ?
C25 N6 C31 112.3(6) . . ?
C25 N6 C37 120.8(7) . . ?
C37 N6 C31 123.1(6) . . ?
C23 N7 C29 121.9(6) . . ?
C23 N7 C38 111.5(6) . . ?
C29 N7 C38 123.2(6) . . ?
C24 N8 C27 113.0(6) . . ?
C24 N8 C29 122.7(6) . . ?
C27 N8 C29 123.4(6) . . ?
C30 N9 C28 123.1(6) . 2_765 ?
C34 N9 C28 122.4(7) . 2_765 ?
C34 N9 C30 113.5(6) . . ?
C26 N10 C38 112.3(6) . . ?
C26 N10 C39 123.7(7) . . ?
C39 N10 C38 123.3(7) . . ?
C24 N11 C30 112.5(6) . . ?
C24 N11 C36 123.6(7) . 2_765 ?
C36 N11 C30 122.2(7) 2_765 . ?
C34 N12 C27 112.6(6) . . ?
C34 N12 C39 122.4(7) . . ?
C39 N12 C27 123.0(6) . . ?
C35 N13 C36 123.1(7) . . ?
C35 N13 C40 112.4(6) . . ?
C36 N13 C40 123.6(6) . . ?
C25 N14 C28 121.3(7) . . ?
C25 N14 C40 112.8(6) . . ?
C28 N14 C40 124.2(6) . . ?
N15 C41 O21 123.7(17) . . ?
C41 N15 C42 123.5(14) . . ?
C41 N15 C43 119.7(14) . . ?
C43 N15 C42 116.6(12) . . ?
O22 C44 N16 127.9(17) . . ?
C44 N16 C45 120(2) . . ?
C44 N16 C46 121.4(16) . . ?
C45 N16 C46 118.4(19) . . ?
O23 C47 N17 124.7(15) . . ?
C47 N17 C48 115.9(16) . . ?
C47 N17 C49 117.9(17) . . ?
C49 N17 C48 126(2) . . ?

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
Ag1 O1 S5 C17 -125.3(5) . . . . ?
Ag1 O1 S5 O3 119.4(4) . . . . ?
Ag1 O1 S5 O6 -9.0(6) . . . . ?
Ag1 O5 S7 C18 137.0(8) . . . . ?
Ag1 O5 S7 C21 51.9(11) . . . . ?
Ag1 O5 S7 O10 7.5(8) . . . . ?
Ag1 O5 S7 O12 -113.7(6) . . . . ?
Ag1 O5 S7 O13 172(2) . . . . ?
Ag1 O5 S7 O14 -52.1(16) . . . . ?
Ag2 O4 S6 C19 129.2(6) . . . . ?
Ag2 O4 S6 O9 -116.8(5) . . . . ?
Ag2 O4 S6 O11 8.6(7) . . . . ?
Ag3 O11 S6 C19 -154.5(7) . . . . ?
Ag3 O11 S6 O4 -35.8(9) . . . . ?
Ag3 O11 S6 O9 89.9(8) . . . . ?
Ag4 O2 S4 C12 -139.3(4) . . . . ?
Ag4 O2 S4 O7 106.2(4) . . . . ?
Ag4 O2 S4 O8 -22.6(5) . . . . ?
Ag4 O6 S5 C17 73.3(6) 2_676 . . . ?
Ag4 O6 S5 O1 -41.2(6) 2_676 . . . ?
Ag4 O6 S5 O3 -169.8(4) 2_676 . . . ?
Ag6 O10 S7 C18 -98.6(11) 2_676 . . . ?
Ag6 O10 S7 C21 -60.2(14) 2_676 . . . ?
Ag6 O10 S7 O5 25.7(11) 2_676 . . . ?
Ag6 O10 S7 O12 146.6(9) 2_676 . . . ?
Ag6 O10 S7 O13 -139(2) 2_676 . . . ?
Ag6 O10 S7 O14 120(2) 2_676 . . . ?
Ag7 C21 S7 C18 -158.5(19) 2_676 . . . ?
Ag7 C21 S7 O5 -55.4(19) 2_676 . . . ?
Ag7 C21 S7 O10 56.0(15) 2_676 . . . ?
Ag7 C21 S7 O12 101.3(19) 2_676 . . . ?
Ag7 C21 S7 O13 175(2) 2_676 . . . ?
Ag7 C21 S7 O14 56(2) 2_676 . . . ?
Ag8 O14 S7 C18 -137(2) 2_676 . . . ?
Ag8 O14 S7 C21 -52(3) 2_676 . . . ?
Ag8 O14 S7 O5 59(3) 2_676 . . . ?
Ag8 O14 S7 O10 -52(3) 2_676 . . . ?
Ag8 O14 S7 O12 158(4) 2_676 . . . ?
Ag8 O14 S7 O13 -163(3) 2_676 . . . ?
C3 C4 N2 C6 75.2(10) . . . . ?
C3 C4 N2 C16 -103.7(9) . . . . ?
C4 C3 C7 C7 -179.7(9) . . . 2_567 ?
C6 C8 N1 Ag5 176.3(7) . . . . ?
C6 C8 N1 Ag8 -178.4(9) . . . . ?
C6 C8 N1 C10 0.6(14) . . . . ?
C7 C3 C4 N2 -178.5(7) . . . . ?
C8 C6 N2 C4 -175.5(8) . . . . ?
C8 C6 N2 C16 3.3(13) . . . . ?
C9 C5 S3 Ag3 119.9(5) . . . . ?
C9 C5 S3 Ag4 43.0(6) . . . 2_676 ?
C9 C5 S3 Ag5 -57.3(7) . . . . ?
C9 C5 S3 Ag6 -156.5(5) . . . . ?
C9 C5 S3 Ag7 -160.6(6) . . . . ?
C9 C5 S3 Ag8 -71.3(13) . . . . ?
C10 C16 N2 C4 178.0(8) . . . . ?
C10 C16 N2 C6 -0.8(13) . . . . ?
C11 C5 S3 Ag3 -114.6(6) . . . . ?
C11 C5 S3 Ag4 168.5(5) . . . 2_676 ?
C11 C5 S3 Ag5 68.2(7) . . . . ?
C11 C5 S3 Ag6 -31.1(7) . . . . ?
C11 C5 S3 Ag7 -35.1(7) . . . . ?
C11 C5 S3 Ag8 54.2(14) . . . . ?
C13 C2 S1 Ag1 -156.9(6) . . . . ?
C13 C2 S1 Ag2 42.1(7) . . . . ?
C13 C2 S1 Ag3 120.9(7) . . . . ?
C13 C2 S1 Ag5 -44.9(8) . . . 2_676 ?
C13 C2 S1 Ag8 -58.5(14) . . . 2_676 ?
C14 C1 S2 Ag1 -118.0(6) . . . 2_676 ?
C14 C1 S2 Ag2 68.9(7) . . . . ?
C14 C1 S2 Ag4 154.7(6) . . . . ?
C14 C1 S2 Ag6 -33.2(7) . . . . ?
C14 C1 S2 Ag7 -26.5(9) . . . . ?
C15 C1 S2 Ag1 8.8(8) . . . 2_676 ?
C15 C1 S2 Ag2 -164.3(7) . . . . ?
C15 C1 S2 Ag4 -78.5(7) . . . . ?
C15 C1 S2 Ag6 93.5(7) . . . . ?
C15 C1 S2 Ag7 100.2(9) . . . . ?
C16 C10 N1 Ag5 -173.6(8) . . . . ?
C16 C10 N1 Ag8 -179.2(9) . . . . ?
C16 C10 N1 C8 2.1(14) . . . . ?
C20 C2 S1 Ag1 -31.3(9) . . . . ?
C20 C2 S1 Ag2 167.8(8) . . . . ?
C20 C2 S1 Ag3 -113.4(8) . . . . ?
C20 C2 S1 Ag5 80.8(9) . . . 2_676 ?
C20 C2 S1 Ag8 67.2(14) . . . 2_676 ?
C22 C2 S1 Ag1 59(2) . . . . ?
C22 C2 S1 Ag2 -102(2) . . . . ?
C22 C2 S1 Ag3 -23(2) . . . . ?
C22 C2 S1 Ag5 171(2) . . . 2_676 ?
C22 C2 S1 Ag8 157(3) . . . 2_676 ?
N1 C10 C16 N2 -2.1(15) . . . . ?
N2 C6 C8 N1 -3.3(14) . . . . ?
C27 C30 N9 C28 172.4(6) . . . 2_765 ?
C27 C30 N9 C34 3.1(8) . . . . ?
C27 C30 N11 C24 -3.0(8) . . . . ?
C27 C30 N11 C36 -168.5(7) . . . 2_765 ?
C30 C27 N8 C24 2.6(8) . . . . ?
C30 C27 N8 C29 171.4(7) . . . . ?
C30 C27 N12 C34 -4.5(8) . . . . ?
C30 C27 N12 C39 -168.7(6) . . . . ?
C31 C40 N13 C35 -5.1(8) . . . . ?
C31 C40 N13 C36 -174.5(6) . . . . ?
C31 C40 N14 C25 3.4(8) . . . . ?
C31 C40 N14 C28 168.4(6) . . . . ?
C32 C38 N7 C23 -7.5(7) . . . . ?
C32 C38 N7 C29 -167.1(6) . . . . ?
C32 C38 N10 C26 1.1(7) . . . . ?
C32 C38 N10 C39 172.4(6) . . . . ?
C38 C32 N3 C26 -8.6(7) . . . . ?
C38 C32 N3 C33 -168.4(6) . . . . ?
C38 C32 N4 C23 -3.7(8) . . . . ?
C38 C32 N4 C37 -179.4(6) . . . . ?
C40 C31 N5 C33 -179.0(7) . . . . ?
C40 C31 N5 C35 1.4(8) . . . . ?
C40 C31 N6 C25 -9.2(8) . . . . ?
C40 C31 N6 C37 -167.4(6) . . . . ?
N3 C26 N10 C38 -6.6(8) . . . . ?
N3 C26 N10 C39 -177.8(6) . . . . ?
N3 C32 C38 N7 -114.9(6) . . . . ?
N3 C32 C38 N10 4.4(7) . . . . ?
N3 C32 N4 C23 108.5(7) . . . . ?
N3 C32 N4 C37 -67.2(9) . . . . ?
N3 C33 N5 C31 78.6(9) . . . . ?
N3 C33 N5 C35 -101.8(8) . . . . ?
N4 C23 N7 C29 165.4(6) . . . . ?
N4 C23 N7 C38 5.6(8) . . . . ?
N4 C32 C38 N7 6.5(7) . . . . ?
N4 C32 C38 N10 125.8(6) . . . . ?
N4 C32 N3 C26 -121.1(7) . . . . ?
N4 C32 N3 C33 79.1(8) . . . . ?
N4 C37 N6 C25 109.5(8) . . . . ?
N4 C37 N6 C31 -94.1(8) . . . . ?
N5 C31 C40 N13 2.1(7) . . . . ?
N5 C31 C40 N14 123.5(6) . . . . ?
N5 C31 N6 C25 -120.1(7) . . . . ?
N5 C31 N6 C37 81.7(8) . . . . ?
N5 C33 N3 C26 110.6(8) . . . . ?
N5 C33 N3 C32 -91.4(8) . . . . ?
N5 C35 N13 C36 175.7(7) . . . . ?
N5 C35 N13 C40 6.2(8) . . . . ?
N6 C25 N14 C28 -174.6(6) . . . . ?
N6 C25 N14 C40 -9.2(8) . . . . ?
N6 C31 C40 N13 -118.1(6) . . . . ?
N6 C31 C40 N14 3.3(7) . . . . ?
N6 C31 N5 C33 -67.8(9) . . . . ?
N6 C31 N5 C35 112.6(7) . . . . ?
N6 C37 N4 C23 -95.8(8) . . . . ?
N6 C37 N4 C32 79.6(9) . . . . ?
N7 C23 N4 C32 -0.9(8) . . . . ?
N7 C23 N4 C37 175.0(6) . . . . ?
N7 C29 N8 C24 -106.9(8) . . . . ?
N7 C29 N8 C27 85.4(9) . . . . ?
N7 C38 N10 C26 112.4(7) . . . . ?
N7 C38 N10 C39 -76.3(8) . . . . ?
N8 C24 N11 C30 4.8(9) . . . . ?
N8 C24 N11 C36 170.0(7) . . . 2_765 ?
N8 C27 C30 N9 120.6(6) . . . . ?
N8 C27 C30 N11 0.2(7) . . . . ?
N8 C27 N12 C34 -116.0(7) . . . . ?
N8 C27 N12 C39 79.8(8) . . . . ?
N8 C29 N7 C23 113.2(7) . . . . ?
N8 C29 N7 C38 -89.3(8) . . . . ?
N9 C28 N14 C25 -107.4(8) 2_765 . . . ?
N9 C28 N14 C40 88.8(9) 2_765 . . . ?
N9 C30 N11 C24 -114.7(7) . . . . ?
N9 C30 N11 C36 79.8(9) . . . 2_765 ?
N9 C34 N12 C27 6.6(8) . . . . ?
N9 C34 N12 C39 170.9(6) . . . . ?
N10 C26 N3 C32 9.8(7) . . . . ?
N10 C26 N3 C33 170.2(6) . . . . ?
N10 C38 N7 C23 -119.1(7) . . . . ?
N10 C38 N7 C29 81.3(9) . . . . ?
N10 C39 N12 C27 -87.1(9) . . . . ?
N10 C39 N12 C34 110.2(8) . . . . ?
N11 C24 N8 C27 -4.6(9) . . . . ?
N11 C24 N8 C29 -173.5(7) . . . . ?
N11 C30 N9 C28 -76.4(9) . . . 2_765 ?
N11 C30 N9 C34 114.3(7) . . . . ?
N11 C36 N13 C35 107.6(8) 2_765 . . . ?
N11 C36 N13 C40 -84.1(9) 2_765 . . . ?
N12 C27 C30 N9 0.8(7) . . . . ?
N12 C27 C30 N11 -119.6(6) . . . . ?
N12 C27 N8 C24 113.5(7) . . . . ?
N12 C27 N8 C29 -77.7(9) . . . . ?
N12 C34 N9 C28 -175.5(6) . . . 2_765 ?
N12 C34 N9 C30 -6.1(9) . . . . ?
N12 C39 N10 C26 -105.8(8) . . . . ?
N12 C39 N10 C38 83.9(9) . . . . ?
N13 C35 N5 C31 -4.7(8) . . . . ?
N13 C35 N5 C33 175.7(6) . . . . ?
N13 C40 N14 C25 116.1(7) . . . . ?
N13 C40 N14 C28 -79.0(9) . . . . ?
N14 C25 N6 C31 11.6(8) . . . . ?
N14 C25 N6 C37 170.4(6) . . . . ?
N14 C40 N13 C35 -117.5(7) . . . . ?
N14 C40 N13 C36 73.0(9) . . . . ?
O15 C23 N4 C32 176.5(7) . . . . ?
O15 C23 N4 C37 -7.6(11) . . . . ?
O15 C23 N7 C29 -12.0(11) . . . . ?
O15 C23 N7 C38 -171.9(7) . . . . ?
O16 C24 N8 C27 174.2(7) . . . . ?
O16 C24 N8 C29 5.3(12) . . . . ?
O16 C24 N11 C30 -174.0(7) . . . . ?
O16 C24 N11 C36 -8.8(12) . . . 2_765 ?
O17 C25 N6 C31 -170.1(7) . . . . ?
O17 C25 N6 C37 -11.3(11) . . . . ?
O17 C25 N14 C28 7.0(12) . . . . ?
O17 C25 N14 C40 172.5(7) . . . . ?
O18 C35 N5 C31 173.3(7) . . . . ?
O18 C35 N5 C33 -6.3(12) . . . . ?
O18 C35 N13 C36 -2.2(12) . . . . ?
O18 C35 N13 C40 -171.7(7) . . . . ?
O19 C26 N3 C32 -169.6(6) . . . . ?
O19 C26 N3 C33 -9.2(10) . . . . ?
O19 C26 N10 C38 172.8(6) . . . . ?
O19 C26 N10 C39 1.6(11) . . . . ?
O20 C34 N9 C28 4.9(12) . . . 2_765 ?
O20 C34 N9 C30 174.3(7) . . . . ?
O20 C34 N12 C27 -173.8(7) . . . . ?
O20 C34 N12 C39 -9.5(12) . . . . ?
O21 C41 N15 C42 -173.9(15) . . . . ?
O21 C41 N15 C43 1(2) . . . . ?
O22 C44 N16 C45 0(3) . . . . ?
O22 C44 N16 C46 177(2) . . . . ?
O23 C47 N17 C48 -176(2) . . . . ?
O23 C47 N17 C49 -3(3) . . . . ?

_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 0.069 0.467 0.433 7.2 4.8 ?
2 -0.069 0.533 0.567 7.2 4.9 ?

_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 1.836
_oxdiff_exptl_absorpt_empirical_full_min 0.275
####################################################################### 
# 
# 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_SCM_2
_database_code_depnum_ccdc_archive 'CCDC 2095836'
loop_
_audit_author_name
_audit_author_address
'Si Li'
;ZhengZhou University
China
;
_audit_update_record             
;
2021-09-27 deposited with the CCDC.	2021-09-29 downloaded from the CCDC.
;
_audit_creation_date             2021-09-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'C80.5 H82.5 Ag12 F24 N6.5 O19 S6, 0.5(C H4 O), C36 H36 N24 O12, 2(C7 H8), 2(C3 H7 N O)'
_chemical_formula_sum            'C137 H150.50 Ag12 F24 N32.50 O33.50 S6'
_chemical_formula_weight         4731.19
_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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   15.29384(8)
_cell_length_b                   25.34019(12)
_cell_length_c                   21.44672(10)
_cell_angle_alpha                90
_cell_angle_beta                 90.4025(5)
_cell_angle_gamma                90
_cell_volume                     8311.44(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    40718
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      73.4130
_cell_measurement_theta_min      2.7800
_shelx_estimated_absorpt_T_max   0.785
_shelx_estimated_absorpt_T_min   0.702
_exptl_absorpt_coefficient_mu    12.715
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.26724
_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_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.890
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4688
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.025
_exptl_crystal_size_min          0.02
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            89844
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.804
_diffrn_reflns_theta_min         3.375
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -35.00  22.00   0.50    0.50    --    0.00  77.00-150.00  114
  2  ω     11.00  37.00   0.50    0.50    --    0.00  57.00  60.00   52
  3  ω      5.00  88.00   0.50    0.50    --    0.00  38.00 150.00  166
  4  ω     30.00  89.00   0.50    0.50    --    0.00  77.00-150.00  118
  5  ω    -27.00   2.00   0.50    0.50    --    0.00  38.00 150.00   58
  6  ω     49.00  75.00   0.50    0.50    --    0.00  57.00  60.00   52
  7  ω    -24.00  80.00   0.50    0.50    --    0.00  57.00 -60.00  208
  8  ω      9.00 134.00   0.50    1.00    --   98.80 -82.00  90.00  250
  9  ω     11.00 132.00   0.50    1.00    --   98.80 -30.00-180.00  242
 10  ω     15.00  41.00   0.50    1.00    --   98.80 -61.00-180.00   52
 11  ω    101.00 127.00   0.50    1.00    --   98.80 -45.00  30.00   52
 12  ω     73.00 104.00   0.50    1.00    --   98.80 -82.00-180.00   62
 13  ω    110.00 136.00   0.50    1.00    --   98.80 -82.00-180.00   52
 14  ω     10.00 138.00   0.50    1.00    --   98.80 -15.00-180.00  256
 15  ω     17.00  53.00   0.50    1.00    --   98.80 -45.00  30.00   72
 16  ω     14.00 126.00   0.50    1.00    --   98.80 -61.00  90.00  224
 17  ω      9.00 103.00   0.50    1.00    --   98.80 -61.00 -30.00  188
 18  ω     71.00 187.00   0.50    1.00    --   98.80  30.00-180.00  232
 19  ω     51.00 109.00   0.50    1.00    --   98.80 -82.00-120.00  116
 20  ω     40.00 122.00   0.50    1.00    --   98.80 -82.00 -30.00  164
 21  ω     56.00 126.00   0.50    1.00    --   98.80 -61.00-180.00  140
 22  ω     87.00 112.00   0.50    1.00    --   98.80 -82.00 -60.00   50
 23  ω     77.00 102.00   0.50    1.00    --   98.80 -82.00  60.00   50
 24  ω     84.00 109.00   0.50    1.00    --   98.80 -82.00 150.00   50
 25  ω     96.00 121.00   0.50    1.00    --   98.80 -82.00   0.00   50
 26  ω     90.00 182.00   0.50    1.00    --   98.80  45.00 150.00  184
;
_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      0.0463728000
_diffrn_orient_matrix_UB_12      0.0539545000
_diffrn_orient_matrix_UB_13      -0.0011451000
_diffrn_orient_matrix_UB_21      0.0762889000
_diffrn_orient_matrix_UB_22      -0.0232070000
_diffrn_orient_matrix_UB_23      0.0384490000
_diffrn_orient_matrix_UB_31      0.0466491000
_diffrn_orient_matrix_UB_32      -0.0156774000
_diffrn_orient_matrix_UB_33      -0.0606766000
_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                14714
_reflns_number_total             16623
_reflns_odcompleteness_completeness 99.97
_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.
 
 _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         1.096
_refine_diff_density_min         -0.886
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1405
_refine_ls_number_reflns         16623
_refine_ls_number_restraints     660
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0392
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0463P)²+21.6554P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1003
_refine_ls_wR_factor_ref         0.1033
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O18-C79
 1.4 with sigma of 0.01
 F9-C43 \\sim F16-C43 \\sim F17-C43 \\sim F10-C43 \\sim F18-C43 \\sim F5-C43
 with sigma of 0.01
 F20-C38 \\sim F2-C38 \\sim F21-C38 \\sim F4-C38 \\sim F19-C38 \\sim F6-C38
 with sigma of 0.01
 F1-C48 \\sim F22-C48 \\sim F8-C48 \\sim F23-C48 \\sim F24-C48 \\sim F11-C48
 with sigma of 0.01
 C65-C59 \\sim C59-C37 \\sim C69-C68 \\sim C73-C68 \\sim C73-C72 \\sim C72-C71
\\sim C71-C70 \\sim C69-C70
 \\sim C65-C63
 with sigma of 0.01
 C77-C31 \\sim C50-C31 \\sim C77-C78 \\sim C76-C31 \\sim C44-C31 \\sim C75-C76
\\sim C57-C44
 with sigma of 0.01
 C69-C32 \\sim C37-C32
 with sigma of 0.01
 C69-C68 \\sim C73-C68 \\sim C73-C72 \\sim C72-C71 \\sim C71-C70 \\sim C69-C70
 with sigma of 0.01
 C68-C71 \\sim C72-C69 \\sim C70-C73
 with sigma of 0.01
 C70-C68 \\sim C71-C73
 with sigma of 0.01
 N18-C84 \\sim N18-C85 \\sim N16-C66 \\sim N16-C83
 with sigma of 0.01
 F12-C41 \\sim F15-C41 \\sim F3-C41 \\sim F14-C41 \\sim F7-C41 \\sim F13-C41
 with sigma of 0.01
 N17-C82 \\sim N17-C81 \\sim N17-C80
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
F5 \\sim F9 \\sim F10 \\sim F16 \\sim F17 \\sim F18: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
F2 \\sim F4 \\sim F6 \\sim F19 \\sim F20 \\sim F21: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
F1 \\sim F8 \\sim F11 \\sim F22 \\sim F23 \\sim F24: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
C37 \\sim C47 \\sim C59 \\sim C61 \\sim C63 \\sim C65 \\sim C68 \\sim C69 \\sim
C70 \\sim C71 \\sim C72 \\sim C73: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
C31 \\sim C44 \\sim C50 \\sim C57 \\sim C58 \\sim C60 \\sim C74 \\sim C75 \\sim
C76 \\sim C77 \\sim C78: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
N16 \\sim N18: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C66 \\sim C84 \\sim C85: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
F3 \\sim F7 \\sim F12 \\sim F13 \\sim F14 \\sim F15: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(F8) \\sim Ueq, Uanis(N17) \\sim Ueq, Uanis(C80) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(F7) \\sim Ueq, Uanis(C83) \\sim Ueq, Uanis(F15) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
4. Others
 Sof(F13)=Sof(F14)=Sof(F15)=1-FVAR(1)
 Sof(F3)=Sof(F7)=Sof(F12)=FVAR(1)
 Sof(F16)=Sof(F17)=Sof(F18)=1-FVAR(2)
 Sof(F5)=Sof(F9)=Sof(F10)=FVAR(2)
 Sof(F19)=Sof(F20)=Sof(F21)=1-FVAR(3)
 Sof(F2)=Sof(F4)=Sof(F6)=FVAR(3)
 Sof(F22)=Sof(F23)=Sof(F24)=1-FVAR(4)
 Sof(F1)=Sof(F8)=Sof(F11)=FVAR(4)
 Sof(H32C)=Sof(H32D)=Sof(C68)=Sof(H68)=Sof(C69)=Sof(C70)=Sof(H70)=Sof(C71)=
 Sof(H71)=Sof(C72)=Sof(H72)=Sof(C73)=Sof(H73)=1-FVAR(5)
 Sof(H32A)=Sof(H32B)=Sof(C37)=Sof(C47)=Sof(H47)=Sof(C59)=Sof(H59)=Sof(C61)=
 Sof(H61)=Sof(C63)=Sof(H63)=Sof(C65)=Sof(H65)=FVAR(5)
 Sof(C74)=Sof(H74)=Sof(C75)=Sof(H75)=Sof(C76)=Sof(H76)=Sof(C77)=Sof(H77)=
 Sof(C78)=Sof(H78)=1-FVAR(6)
 Sof(C44)=Sof(H44)=Sof(C50)=Sof(H50)=Sof(C57)=Sof(H57)=Sof(C58)=Sof(H58)=
 Sof(C60)=Sof(H60)=FVAR(6)
 Sof(H54A)=Sof(C84)=Sof(H84A)=Sof(H84B)=Sof(H84C)=Sof(C85)=Sof(H85A)=Sof(H85B)=
 Sof(H85C)=Sof(N18)=1-FVAR(7)
 Sof(H54)=Sof(C66)=Sof(H66A)=Sof(H66B)=Sof(H66C)=Sof(C83)=Sof(H83A)=Sof(H83B)=
 Sof(H83C)=Sof(N16)=FVAR(7)
 Fixed Sof: C67(0.5) H67A(0.5) H67B(0.5) H67C(0.5) C79(0.25) H79A(0.25)
 H79B(0.25) H79C(0.25) C80(0.25) H80(0.25) C81(0.25) H81A(0.25) H81B(0.25)
 H81C(0.25) C82(0.25) H82A(0.25) H82B(0.25) H82C(0.25) N17(0.25) O17(0.5)
 O18(0.25) H18(0.25)
5.a Everything fixed:
 H18
5.b Ternary CH refined with riding coordinates:
 C2(H2), C4(H4), C8(H8), C17(H17), C20(H20), C23(H23)
5.c Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C14(H14A,H14B), C16(H16A,H16B), C32(H32A,H32B), C32(H32C,
 H32D), C35(H35A,H35B), C42(H42A,H42B), C5(H5A,H5B), C7(H7A,H7B), C13(H13A,
 H13B), C15(H15A,H15B), C21(H21A,H21B), C26(H26A,H26B)
5.d Aromatic/amide H refined with riding coordinates:
 C9(H9), C22(H22), C25(H25), C27(H27), C28(H28), C29(H29), C30(H30), C34(H34),
 C36(H36), C44(H44), C47(H47), C50(H50), C54(H54), C54(H54A), C57(H57),
 C58(H58), C59(H59), C60(H60), C61(H61), C63(H63), C65(H65), C68(H68), C70(H70),
  C71(H71), C72(H72), C73(H73), C74(H74), C75(H75), C76(H76), C77(H77),
 C78(H78), C80(H80), C45(H45), C49(H49), C51(H51), C52(H52), C53(H53), C46(H46)
5.e Idealised Me refined as rotating group:
 C66(H66A,H66B,H66C), C67(H67A,H67B,H67C), C79(H79A,H79B,H79C), C81(H81A,H81B,
 H81C), C82(H82A,H82B,H82C), C83(H83A,H83B,H83C), C84(H84A,H84B,H84C), C85(H85A,
 H85B,H85C), C64(H64A,H64B,H64C), C55(H55A,H55B,H55C), C62(H62A,H62B,H62C)
;
_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
Ag1 Ag 0.63332(2) 0.52087(2) 0.45232(2) 0.03913(8) Uani 1 1 d . . . . .
Ag2 Ag 0.50850(2) 0.40922(2) 0.58907(2) 0.03851(8) Uani 1 1 d . . . . .
Ag3 Ag 0.42814(2) 0.38662(2) 0.46102(2) 0.04133(8) Uani 1 1 d . . . . .
Ag4 Ag 0.68789(2) 0.43908(2) 0.55803(2) 0.04916(9) Uani 1 1 d . . . . .
Ag5 Ag 0.39419(2) 0.46165(2) 0.33413(2) 0.05034(10) Uani 1 1 d . . . . .
Ag6 Ag 0.59097(3) 0.41226(2) 0.38488(2) 0.05149(10) Uani 1 1 d . . . . .
C9 C 0.2229(3) 0.42310(16) 0.16691(18) 0.0337(8) Uani 1 1 d . . . . .
H9 H 0.2174 0.3943 0.1403 0.040 Uiso 1 1 calc R . . . .
C10 C 0.5480(3) 0.50915(17) 0.23430(18) 0.0350(9) Uani 1 1 d . . . . .
C11 C 0.0857(3) 0.45802(19) 0.1242(2) 0.0426(10) Uani 1 1 d . . . . .
H11A H 0.0352 0.4652 0.1499 0.051 Uiso 1 1 calc R . . . .
H11B H 0.0811 0.4219 0.1096 0.051 Uiso 1 1 calc R . . . .
C14 C 0.0027(3) 0.48267(18) 0.0288(2) 0.0403(10) Uani 1 1 d . . . . .
H14A H 0.0039 0.4459 0.0161 0.048 Uiso 1 1 calc R . . . .
H14B H -0.0492 0.4880 0.0537 0.048 Uiso 1 1 calc R . . . .
C16 C 0.0834(3) 0.49438(17) 0.06852(19) 0.0359(9) Uani 1 1 d . . . . .
H16A H 0.1357 0.4894 0.0439 0.043 Uiso 1 1 calc R . . . .
H16B H 0.0819 0.5308 0.0825 0.043 Uiso 1 1 calc R . . . .
C18 C 0.6414(3) 0.37329(18) 0.6887(2) 0.0429(10) Uani 1 1 d . . . . .
C22 C 0.5459(3) 0.45670(18) 0.21534(19) 0.0391(9) Uani 1 1 d . . . . .
H22 H 0.5767 0.4314 0.2378 0.047 Uiso 1 1 calc R . . . .
C24 C 0.4186(3) 0.32857(17) 0.3315(2) 0.0420(10) Uani 1 1 d . . . . .
C25 C 0.1775(3) 0.50561(17) 0.1992(2) 0.0426(10) Uani 1 1 d . . . . .
H25 H 0.1402 0.5344 0.1951 0.051 Uiso 1 1 calc R . . . .
C27 C 0.2446(3) 0.50633(17) 0.2422(2) 0.0418(10) Uani 1 1 d . . . . .
H27 H 0.2518 0.5359 0.2673 0.050 Uiso 1 1 calc R . . . .
C28 C 0.2895(3) 0.42499(17) 0.21026(19) 0.0352(8) Uani 1 1 d . . . . .
H28 H 0.3285 0.3969 0.2127 0.042 Uiso 1 1 calc R . . . .
C29 C 0.4999(3) 0.54639(19) 0.2011(2) 0.0450(10) Uani 1 1 d . . . . .
H29 H 0.5002 0.5815 0.2137 0.054 Uiso 1 1 calc R . . . .
C30 C 0.4983(3) 0.4421(2) 0.1633(2) 0.0476(11) Uani 1 1 d . . . . .
H30 H 0.4979 0.4071 0.1504 0.057 Uiso 1 1 calc R . . . .
C31 C 0.8329(3) 0.58180(19) 0.6108(2) 0.0500(11) Uani 1 1 d D U . . .
C32 C 0.6015(3) 0.30913(16) 0.4990(2) 0.0440(10) Uani 1 1 d D . . . .
H32A H 0.5535 0.2952 0.5233 0.053 Uiso 0.827(7) 1 calc R . P A 1
H32B H 0.5960 0.2946 0.4573 0.053 Uiso 0.827(7) 1 calc R . P A 1
H32C H 0.5667 0.2948 0.5326 0.053 Uiso 0.173(7) 1 calc R . P A 2
H32D H 0.5844 0.2922 0.4602 0.053 Uiso 0.173(7) 1 calc R . P A 2
C34 C 0.4512(4) 0.4795(2) 0.1303(2) 0.0549(13) Uani 1 1 d . . . . .
H34 H 0.4192 0.4696 0.0952 0.066 Uiso 1 1 calc R . . . .
C35 C 0.5996(3) 0.52482(19) 0.2911(2) 0.0406(10) Uani 1 1 d . . . . .
H35A H 0.6081 0.5628 0.2915 0.049 Uiso 1 1 calc R . . . .
H35B H 0.6566 0.5080 0.2904 0.049 Uiso 1 1 calc R . . . .
C36 C 0.4516(4) 0.5312(2) 0.1494(2) 0.0557(13) Uani 1 1 d . . . . .
H36 H 0.4192 0.5562 0.1274 0.067 Uiso 1 1 calc R . . . .
C37 C 0.6848(4) 0.2897(2) 0.5268(3) 0.0472(14) Uani 0.827(7) 1 d D U P A 1
C38 C 0.6811(3) 0.34345(19) 0.7454(2) 0.0597(14) Uani 1 1 d D . . . .
C39 C 0.6525(4) 0.3262(2) 0.3044(2) 0.0513(12) Uani 1 1 d . . . . .
C40 C 0.3316(3) 0.34001(18) 0.5820(2) 0.0457(11) Uani 1 1 d . . . . .
C41 C 0.4025(3) 0.2832(2) 0.2856(2) 0.0637(16) Uani 1 1 d D . . . .
C42 C 0.7908(3) 0.5680(2) 0.5503(2) 0.0501(12) Uani 1 1 d . . . . .
H42A H 0.8279 0.5431 0.5285 0.060 Uiso 1 1 calc R . . . .
H42B H 0.7865 0.5996 0.5249 0.060 Uiso 1 1 calc R . . . .
C43 C 0.6754(3) 0.29901(18) 0.2426(2) 0.0647(15) Uani 1 1 d D . . . .
C44 C 0.8067(14) 0.6293(6) 0.6374(8) 0.056(2) Uani 0.58(3) 1 d D U P B 1
H44 H 0.7627 0.6488 0.6180 0.067 Uiso 0.58(3) 1 calc R . P B 1
C47 C 0.6891(5) 0.2767(3) 0.5890(3) 0.0613(16) Uani 0.827(7) 1 d . U P A 1
H47 H 0.6403 0.2803 0.6142 0.074 Uiso 0.827(7) 1 calc R . P A 1
C48 C 0.2515(4) 0.3140(2) 0.6098(2) 0.0666(16) Uani 1 1 d D . . . .
C50 C 0.8908(9) 0.5511(6) 0.6455(7) 0.063(3) Uani 0.58(3) 1 d D U P B 1
H50 H 0.9037 0.5171 0.6323 0.076 Uiso 0.58(3) 1 calc R . P B 1
C54 C 0.8720(4) 0.3935(3) 0.6054(3) 0.0709(17) Uani 1 1 d . . . . .
H54 H 0.8356 0.3824 0.6374 0.085 Uiso 0.721(12) 1 calc R . P C 1
H54A H 0.8265 0.3738 0.6221 0.085 Uiso 0.279(12) 1 calc R . P C 2
C57 C 0.8444(11) 0.6485(7) 0.6923(6) 0.061(2) Uani 0.58(3) 1 d D U P B 1
H57 H 0.8281 0.6813 0.7079 0.074 Uiso 0.58(3) 1 calc R . P B 1
C58 C 0.9313(10) 0.5710(8) 0.7015(8) 0.064(2) Uani 0.58(3) 1 d . U P B 1
H58 H 0.9739 0.5516 0.7224 0.077 Uiso 0.58(3) 1 calc R . P B 1
C59 C 0.7570(4) 0.2841(3) 0.4881(3) 0.0611(15) Uani 0.827(7) 1 d D U P A 1
H59 H 0.7532 0.2926 0.4459 0.073 Uiso 0.827(7) 1 calc R . P A 1
C60 C 0.9058(12) 0.6185(8) 0.7230(8) 0.064(3) Uani 0.58(3) 1 d . U P B 1
H60 H 0.9304 0.6313 0.7598 0.077 Uiso 0.58(3) 1 calc R . P B 1
C61 C 0.7674(6) 0.2581(3) 0.6132(4) 0.078(2) Uani 0.827(7) 1 d . U P A 1
H61 H 0.7712 0.2498 0.6554 0.093 Uiso 0.827(7) 1 calc R . P A 1
C63 C 0.8394(6) 0.2519(3) 0.5763(4) 0.081(2) Uani 0.827(7) 1 d D U P A 1
H63 H 0.8910 0.2386 0.5932 0.097 Uiso 0.827(7) 1 calc R . P A 1
C65 C 0.8353(5) 0.2653(3) 0.5138(4) 0.0770(18) Uani 0.827(7) 1 d D U P A 1
H65 H 0.8846 0.2620 0.4890 0.092 Uiso 0.827(7) 1 calc R . P A 1
C66 C 0.9878(9) 0.3485(9) 0.6593(8) 0.103(5) Uani 0.721(12) 1 d D U P C 1
H66A H 1.0333 0.3676 0.6807 0.155 Uiso 0.721(12) 1 calc GR . P C 1
H66B H 1.0105 0.3156 0.6445 0.155 Uiso 0.721(12) 1 calc GR . P C 1
H66C H 0.9406 0.3420 0.6875 0.155 Uiso 0.721(12) 1 calc GR . P C 1
C67 C 0.8147(9) 0.5393(7) 0.3466(7) 0.092(5) Uani 0.5 1 d . . P D 2
H67A H 0.8129 0.5117 0.3159 0.138 Uiso 0.5 1 calc GR . P D 2
H67B H 0.8741 0.5502 0.3532 0.138 Uiso 0.5 1 calc GR . P D 2
H67C H 0.7806 0.5688 0.3323 0.138 Uiso 0.5 1 calc GR . P D 2
C68 C 0.7284(13) 0.2802(15) 0.5691(13) 0.068(2) Uani 0.173(7) 1 d D U P A 2
H68 H 0.6875 0.2686 0.5979 0.081 Uiso 0.173(7) 1 calc R . P A 2
C69 C 0.6992(8) 0.3018(17) 0.5119(15) 0.061(3) Uani 0.173(7) 1 d D U P A 2
C70 C 0.7631(14) 0.3189(13) 0.4689(11) 0.067(3) Uani 0.173(7) 1 d D U P A 2
H70 H 0.7454 0.3352 0.4321 0.080 Uiso 0.173(7) 1 calc R . P A 2
C71 C 0.8528(13) 0.3115(14) 0.4809(13) 0.076(3) Uani 0.173(7) 1 d D U P A 2
H71 H 0.8944 0.3227 0.4523 0.091 Uiso 0.173(7) 1 calc R . P A 2
C72 C 0.8785(11) 0.2872(15) 0.5367(14) 0.079(3) Uani 0.173(7) 1 d D U P A 2
H72 H 0.9369 0.2783 0.5429 0.094 Uiso 0.173(7) 1 calc R . P A 2
C73 C 0.8179(16) 0.2759(16) 0.5834(12) 0.076(3) Uani 0.173(7) 1 d D U P A 2
H73 H 0.8365 0.2659 0.6230 0.091 Uiso 0.173(7) 1 calc R . P A 2
C74 C 0.9287(15) 0.6010(12) 0.7182(11) 0.062(3) Uani 0.42(3) 1 d . U P B 2
H74 H 0.9616 0.6076 0.7539 0.074 Uiso 0.42(3) 1 calc R . P B 2
C75 C 0.8679(15) 0.6342(10) 0.7000(9) 0.060(2) Uani 0.42(3) 1 d D U P B 2
H75 H 0.8570 0.6638 0.7245 0.073 Uiso 0.42(3) 1 calc R . P B 2
C76 C 0.819(2) 0.6272(8) 0.6457(12) 0.057(3) Uani 0.42(3) 1 d D U P B 2
H76 H 0.7782 0.6522 0.6331 0.068 Uiso 0.42(3) 1 calc R . P B 2
C77 C 0.8991(12) 0.5463(8) 0.6269(10) 0.063(3) Uani 0.42(3) 1 d D U P B 2
H77 H 0.9131 0.5179 0.6015 0.075 Uiso 0.42(3) 1 calc R . P B 2
C78 C 0.9432(14) 0.5558(10) 0.6831(10) 0.066(3) Uani 0.42(3) 1 d D U P B 2
H78 H 0.9834 0.5310 0.6975 0.079 Uiso 0.42(3) 1 calc R . P B 2
C79 C 0.856(2) 0.4039(12) 0.3957(17) 0.080(13) Uani 0.25 1 d D . P E 2
H79A H 0.8554 0.4183 0.3543 0.121 Uiso 0.25 1 calc GR . P E 2
H79B H 0.7998 0.3887 0.4045 0.121 Uiso 0.25 1 calc GR . P E 2
H79C H 0.9001 0.3771 0.3988 0.121 Uiso 0.25 1 calc GR . P E 2
C80 C 0.8031(13) 0.4791(9) 0.4219(9) 0.051(5) Uani 0.25 1 d D U P D 1
H80 H 0.7932 0.4727 0.4640 0.061 Uiso 0.25 1 calc R . P D 1
C81 C 0.823(2) 0.4420(10) 0.3228(9) 0.073(8) Uani 0.25 1 d D . P D 1
H81A H 0.7611 0.4385 0.3169 0.110 Uiso 0.25 1 calc GR . P D 1
H81B H 0.8524 0.4140 0.3011 0.110 Uiso 0.25 1 calc GR . P D 1
H81C H 0.8421 0.4754 0.3068 0.110 Uiso 0.25 1 calc GR . P D 1
C82 C 0.883(2) 0.3919(13) 0.4071(13) 0.063(9) Uani 0.25 1 d D . P D 1
H82A H 0.9205 0.3991 0.4420 0.094 Uiso 0.25 1 calc GR . P D 1
H82B H 0.9168 0.3772 0.3737 0.094 Uiso 0.25 1 calc GR . P D 1
H82C H 0.8387 0.3671 0.4192 0.094 Uiso 0.25 1 calc GR . P D 1
C83 C 1.0131(9) 0.3909(7) 0.5532(7) 0.138(6) Uani 0.721(12) 1 d D U P C 1
H83A H 0.9998 0.3668 0.5198 0.207 Uiso 0.721(12) 1 calc GR . P C 1
H83B H 1.0729 0.3864 0.5659 0.207 Uiso 0.721(12) 1 calc GR . P C 1
H83C H 1.0040 0.4264 0.5392 0.207 Uiso 0.721(12) 1 calc GR . P C 1
C84 C 1.0112(19) 0.4224(14) 0.6412(18) 0.128(9) Uani 0.279(12) 1 d D U P C 2
H84A H 1.0252 0.4354 0.6004 0.192 Uiso 0.279(12) 1 calc GR . P C 2
H84B H 1.0626 0.4072 0.6599 0.192 Uiso 0.279(12) 1 calc GR . P C 2
H84C H 0.9907 0.4509 0.6666 0.192 Uiso 0.279(12) 1 calc GR . P C 2
C85 C 0.964(3) 0.338(2) 0.678(2) 0.093(9) Uani 0.279(12) 1 d D U P C 2
H85A H 0.9588 0.3499 0.7207 0.140 Uiso 0.279(12) 1 calc GR . P C 2
H85B H 1.0222 0.3263 0.6708 0.140 Uiso 0.279(12) 1 calc GR . P C 2
H85C H 0.9235 0.3097 0.6710 0.140 Uiso 0.279(12) 1 calc GR . P C 2
F1 F 0.2534(16) 0.2613(3) 0.6134(12) 0.080(4) Uani 0.60(6) 1 d D U P F 1
F2 F 0.6582(6) 0.29314(19) 0.7478(4) 0.091(2) Uani 0.820(14) 1 d D U P G 1
F3 F 0.4613(10) 0.2447(4) 0.2947(7) 0.093(4) Uani 0.57(2) 1 d D U P H 1
F4 F 0.7677(3) 0.3427(3) 0.7445(4) 0.089(2) Uani 0.820(14) 1 d D U P G 1
F5 F 0.7597(6) 0.3049(9) 0.2295(10) 0.096(4) Uani 0.60(3) 1 d D U P I 1
F6 F 0.6601(6) 0.3661(3) 0.7990(2) 0.103(3) Uani 0.820(14) 1 d D U P G 1
F7 F 0.4014(11) 0.2956(6) 0.2260(3) 0.093(3) Uani 0.57(2) 1 d D U P H 1
F8 F 0.2397(19) 0.3284(8) 0.6695(6) 0.089(5) Uani 0.60(6) 1 d D U P F 1
F9 F 0.6510(16) 0.2488(3) 0.2401(7) 0.100(4) Uani 0.60(3) 1 d D U P I 1
F10 F 0.6347(9) 0.3223(5) 0.1946(4) 0.078(3) Uani 0.60(3) 1 d D U P I 1
F11 F 0.1753(12) 0.3241(12) 0.5810(13) 0.115(5) Uani 0.60(6) 1 d D U P F 1
F12 F 0.3262(7) 0.2594(5) 0.2975(6) 0.105(3) Uani 0.57(2) 1 d D U P H 1
F13 F 0.3180(6) 0.2827(9) 0.2691(10) 0.115(5) Uani 0.43(2) 1 d D U P H 2
F14 F 0.4427(13) 0.2922(7) 0.2312(5) 0.083(4) Uani 0.43(2) 1 d D U P H 2
F15 F 0.4280(12) 0.2354(4) 0.3016(9) 0.079(4) Uani 0.43(2) 1 d D U P H 2
F16 F 0.6950(17) 0.2486(4) 0.2534(10) 0.084(5) Uani 0.40(3) 1 d D U P I 2
F17 F 0.6111(14) 0.3027(12) 0.2008(10) 0.107(5) Uani 0.40(3) 1 d D U P I 2
F18 F 0.7491(9) 0.3155(10) 0.2163(13) 0.078(4) Uani 0.40(3) 1 d D U P I 2
F19 F 0.7569(14) 0.3642(13) 0.7614(17) 0.090(7) Uani 0.180(14) 1 d D U P G 2
F20 F 0.6191(14) 0.3362(15) 0.7871(12) 0.094(6) Uani 0.180(14) 1 d D U P G 2
F21 F 0.693(3) 0.2950(7) 0.7238(16) 0.103(7) Uani 0.180(14) 1 d D U P G 2
F22 F 0.278(3) 0.2642(7) 0.620(2) 0.102(7) Uani 0.40(6) 1 d D U P F 2
F23 F 0.216(2) 0.3379(14) 0.6595(12) 0.098(6) Uani 0.40(6) 1 d D U P F 2
F24 F 0.1884(18) 0.3173(17) 0.5660(15) 0.103(7) Uani 0.40(6) 1 d D U P F 2
N1 N 0.1664(2) 0.46310(13) 0.16344(15) 0.0341(7) Uani 1 1 d . . . . .
N5 N 0.3000(2) 0.46588(14) 0.24899(16) 0.0354(7) Uani 1 1 d . . . . .
N16 N 0.9558(6) 0.3800(5) 0.6061(5) 0.090(3) Uani 0.721(12) 1 d D U P C 1
N17 N 0.8432(17) 0.4389(9) 0.3869(8) 0.092(8) Uani 0.25 1 d D U P D 1
N18 N 0.9429(17) 0.3820(12) 0.6360(15) 0.091(5) Uani 0.279(12) 1 d D U P C 2
O6 O 0.6899(2) 0.40621(13) 0.66469(15) 0.0464(7) Uani 1 1 d . . . . .
O7 O 0.4125(3) 0.31576(13) 0.38729(16) 0.0542(9) Uani 1 1 d . . . . .
O8 O 0.5645(2) 0.36120(14) 0.67596(17) 0.0538(9) Uani 1 1 d . . . . .
O9 O 0.6618(3) 0.37502(14) 0.30277(17) 0.0582(9) Uani 1 1 d . . . . .
O11 O 0.4326(3) 0.37132(13) 0.30727(19) 0.0599(9) Uani 1 1 d . . . . .
O12 O 0.3704(3) 0.3696(2) 0.6160(2) 0.0809(14) Uani 1 1 d . . . . .
O13 O 0.3469(3) 0.32598(18) 0.5280(2) 0.0810(14) Uani 1 1 d . . . . .
O14 O 0.6262(4) 0.29861(18) 0.3466(2) 0.0947(17) Uani 1 1 d . . . . .
O15 O 0.8414(3) 0.4213(2) 0.5618(3) 0.0857(14) Uani 1 1 d . . . . .
O17 O 0.7809(4) 0.5208(4) 0.4016(3) 0.065(2) Uani 0.5 1 d . . P . .
O18 O 0.8739(9) 0.4438(6) 0.4383(6) 0.053(3) Uani 0.25 1 d D . P E 2
H18 H 0.8656 0.4723 0.4233 0.080 Uiso 0.25 1 d . . P J 2
S1 S 0.53950(6) 0.50419(4) 0.36174(4) 0.02951(18) Uani 1 1 d . . . . .
S2 S 0.68062(6) 0.53893(4) 0.55855(4) 0.0327(2) Uani 1 1 d . . . . .
S3 S 0.58877(6) 0.38119(4) 0.49376(4) 0.03109(19) Uani 1 1 d . . . . .
C1 C 0.3899(3) 0.13108(16) 0.60762(19) 0.0360(9) Uani 1 1 d . . . . .
C2 C 0.2534(3) 0.12199(17) 0.5581(2) 0.0384(9) Uani 1 1 d . . . . .
H2 H 0.2010 0.1387 0.5751 0.046 Uiso 1 1 calc R . . . .
C3 C 0.6026(3) 0.16482(15) 0.5111(2) 0.0354(9) Uani 1 1 d . . . . .
C4 C 0.5084(3) 0.19497(15) 0.43157(19) 0.0348(9) Uani 1 1 d . . . . .
H4 H 0.4946 0.2319 0.4223 0.042 Uiso 1 1 calc R . . . .
C5 C 0.6298(3) 0.11245(17) 0.3152(2) 0.0403(10) Uani 1 1 d . . . . .
H5A H 0.6734 0.1376 0.3014 0.048 Uiso 1 1 calc R . . . .
H5B H 0.5970 0.1011 0.2787 0.048 Uiso 1 1 calc R . . . .
C6 C 0.2240(3) -0.05221(17) 0.5195(2) 0.0355(9) Uani 1 1 d . . . . .
C7 C 0.3524(3) 0.16643(19) 0.4067(2) 0.0412(10) Uani 1 1 d . . . . .
H7A H 0.3255 0.1532 0.3687 0.049 Uiso 1 1 calc R . . . .
H7B H 0.3401 0.2039 0.4091 0.049 Uiso 1 1 calc R . . . .
C8 C 0.5966(3) 0.17797(15) 0.40272(19) 0.0355(9) Uani 1 1 d . . . . .
H8 H 0.6264 0.2078 0.3830 0.043 Uiso 1 1 calc R . . . .
C12 C 0.2631(3) 0.09537(17) 0.4532(2) 0.0372(9) Uani 1 1 d . . . . .
C13 C 0.7375(3) 0.14398(16) 0.4539(2) 0.0389(9) Uani 1 1 d . . . . .
H13A H 0.7664 0.1664 0.4237 0.047 Uiso 1 1 calc R . . . .
H13B H 0.7636 0.1509 0.4944 0.047 Uiso 1 1 calc R . . . .
C15 C 0.4605(3) 0.20071(16) 0.5456(2) 0.0384(9) Uani 1 1 d . . . . .
H15A H 0.4340 0.2342 0.5345 0.046 Uiso 1 1 calc R . . . .
H15B H 0.4923 0.2057 0.5845 0.046 Uiso 1 1 calc R . . . .
C17 C 0.3101(3) 0.16223(16) 0.5216(2) 0.0360(9) Uani 1 1 d . . . . .
H17 H 0.2832 0.1973 0.5215 0.043 Uiso 1 1 calc R . . . .
C19 C 0.4829(3) 0.12956(15) 0.35640(19) 0.0362(9) Uani 1 1 d . . . . .
C20 C 0.2425(3) -0.07035(17) 0.6259(2) 0.0378(9) Uani 1 1 d . . . . .
H20 H 0.1993 -0.0900 0.6501 0.045 Uiso 1 1 calc R . . . .
C21 C 0.1711(3) 0.04005(17) 0.5212(2) 0.0409(10) Uani 1 1 d . . . . .
H21A H 0.1233 0.0524 0.5469 0.049 Uiso 1 1 calc R . . . .
H21B H 0.1467 0.0295 0.4813 0.049 Uiso 1 1 calc R . . . .
C23 C 0.2154(3) -0.01208(17) 0.6176(2) 0.0382(9) Uani 1 1 d . . . . .
H23 H 0.1590 -0.0049 0.6372 0.046 Uiso 1 1 calc R . . . .
C26 C 0.2842(3) 0.07268(17) 0.6594(2) 0.0423(10) Uani 1 1 d . . . . .
H26A H 0.2253 0.0830 0.6706 0.051 Uiso 1 1 calc R . . . .
H26B H 0.3221 0.0805 0.6946 0.051 Uiso 1 1 calc R . . . .
C33 C 0.3484(3) -0.01612(18) 0.6736(2) 0.0411(10) Uani 1 1 d . . . . .
N2 N 0.3114(2) 0.10406(14) 0.60702(17) 0.0379(8) Uani 1 1 d . . . . .
N3 N 0.5220(2) 0.18628(14) 0.49770(16) 0.0371(8) Uani 1 1 d . . . . .
N4 N 0.2471(2) -0.08939(14) 0.56250(17) 0.0388(8) Uani 1 1 d . . . . .
N6 N 0.4459(2) 0.15900(14) 0.40295(16) 0.0363(7) Uani 1 1 d . . . . .
N7 N 0.2313(2) 0.08323(14) 0.51137(17) 0.0395(8) Uani 1 1 d . . . . .
N8 N 0.6457(2) 0.15804(14) 0.45589(16) 0.0371(8) Uani 1 1 d . . . . .
N9 N 0.5712(2) 0.13855(14) 0.35735(16) 0.0368(8) Uani 1 1 d . . . . .
N10 N 0.3918(2) 0.16238(14) 0.55557(17) 0.0381(8) Uani 1 1 d . . . . .
N11 N 0.3259(2) -0.06725(14) 0.65833(17) 0.0394(8) Uani 1 1 d . . . . .
N12 N 0.3129(2) 0.14037(14) 0.45951(17) 0.0393(8) Uani 1 1 d . . . . .
N13 N 0.2104(2) -0.00539(14) 0.55064(17) 0.0378(8) Uani 1 1 d . . . . .
N14 N 0.2856(3) 0.01628(14) 0.64837(17) 0.0409(8) Uani 1 1 d . . . . .
O1 O 0.2156(2) -0.05881(12) 0.46360(14) 0.0420(7) Uani 1 1 d . . . . .
O2 O 0.4465(2) 0.12767(12) 0.64738(14) 0.0415(7) Uani 1 1 d . . . . .
O3 O 0.6312(2) 0.15532(13) 0.56280(14) 0.0456(7) Uani 1 1 d . . . . .
O4 O 0.2489(2) 0.07133(13) 0.40544(14) 0.0435(7) Uani 1 1 d . . . . .
O5 O 0.4438(2) 0.10093(12) 0.31961(15) 0.0448(7) Uani 1 1 d . . . . .
O10 O 0.4109(2) -0.00261(13) 0.70465(16) 0.0514(8) Uani 1 1 d . . . . .
C45 C 1.0767(4) 0.2097(3) 0.5221(3) 0.0678(16) Uani 1 1 d . . . . .
H45 H 1.1084 0.2342 0.5454 0.081 Uiso 1 1 calc R . . . .
C49 C 1.0240(4) 0.1742(3) 0.5506(4) 0.0751(18) Uani 1 1 d . . . . .
H49 H 1.0217 0.1741 0.5939 0.090 Uiso 1 1 calc R . . . .
C51 C 1.0349(5) 0.1721(3) 0.4245(4) 0.088(2) Uani 1 1 d . . . . .
H51 H 1.0392 0.1706 0.3813 0.105 Uiso 1 1 calc R . . . .
C52 C 0.9733(4) 0.1381(3) 0.5177(4) 0.084(2) Uani 1 1 d . . . . .
H52 H 0.9360 0.1155 0.5391 0.101 Uiso 1 1 calc R . . . .
C53 C 0.9776(5) 0.1355(4) 0.4566(4) 0.090(2) Uani 1 1 d . . . . .
H53 H 0.9447 0.1108 0.4344 0.108 Uiso 1 1 calc R . . . .
C56 C 1.0826(4) 0.2087(3) 0.4572(4) 0.0777(19) Uani 1 1 d . . . . .
C64 C 1.1375(5) 0.2462(4) 0.4245(5) 0.111(3) Uani 1 1 d . . . . .
H64A H 1.1019 0.2740 0.4076 0.167 Uiso 1 1 calc GR . . . .
H64B H 1.1673 0.2285 0.3912 0.167 Uiso 1 1 calc GR . . . .
H64C H 1.1797 0.2608 0.4530 0.167 Uiso 1 1 calc GR . . . .
C46 C 0.8865(4) 0.1862(2) 0.2728(3) 0.0678(16) Uani 1 1 d . . . . .
H46 H 0.8946 0.1650 0.2378 0.081 Uiso 1 1 calc R . . . .
C55 C 0.9632(5) 0.2538(3) 0.2172(4) 0.092(3) Uani 1 1 d . . . . .
H55A H 0.9663 0.2261 0.1867 0.138 Uiso 1 1 calc GR . . . .
H55B H 1.0213 0.2650 0.2281 0.138 Uiso 1 1 calc GR . . . .
H55C H 0.9311 0.2831 0.2003 0.138 Uiso 1 1 calc GR . . . .
C62 C 0.9099(6) 0.2694(3) 0.3240(4) 0.101(3) Uani 1 1 d . . . . .
H62A H 0.8711 0.2540 0.3539 0.151 Uiso 1 1 calc GR . . . .
H62B H 0.8860 0.3023 0.3096 0.151 Uiso 1 1 calc GR . . . .
H62C H 0.9659 0.2755 0.3430 0.151 Uiso 1 1 calc GR . . . .
N15 N 0.9196(3) 0.23430(17) 0.2723(2) 0.0583(11) Uani 1 1 d . . . . .
O16 O 0.8455(4) 0.1679(2) 0.3169(3) 0.1088(19) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag2 2.9332(4) 3_666 ?
Ag1 Ag3 3.1395(5) 3_666 ?
Ag1 Ag4 3.1788(5) . ?
Ag1 Ag6 3.1737(5) . ?
Ag1 O17 2.512(7) . ?
Ag1 S1 2.4438(9) . ?
Ag1 S2 2.4289(10) . ?
Ag2 Ag1 2.9330(4) 3_666 ?
Ag2 Ag3 3.0549(4) . ?
Ag2 Ag4 2.9273(5) . ?
Ag2 O8 2.380(3) . ?
Ag2 O12 2.411(4) . ?
Ag2 S1 2.5451(10) 3_666 ?
Ag2 S3 2.4950(10) . ?
Ag3 Ag1 3.1395(5) 3_666 ?
Ag3 Ag5 3.3571(5) . ?
Ag3 Ag6 3.0574(5) . ?
Ag3 O7 2.403(3) . ?
Ag3 O13 2.447(4) . ?
Ag3 S2 2.5479(10) 3_666 ?
Ag3 S3 2.5540(10) . ?
Ag4 O6 2.435(3) . ?
Ag4 O15 2.391(4) . ?
Ag4 S2 2.5325(10) . ?
Ag4 S3 2.5141(10) . ?
Ag5 N5 2.320(3) . ?
Ag5 O11 2.433(4) . ?
Ag5 S1 2.5363(10) . ?
Ag5 S2 2.5777(10) 3_666 ?
Ag6 O9 2.278(4) . ?
Ag6 S1 2.5073(10) . ?
Ag6 S3 2.4648(10) . ?
C9 H9 0.9300 . ?
C9 C28 1.374(6) . ?
C9 N1 1.334(5) . ?
C10 C22 1.390(6) . ?
C10 C29 1.389(6) . ?
C10 C35 1.500(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C16 1.508(6) . ?
C11 N1 1.494(5) . ?
C14 C14 1.517(8) 3_565 ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C16 1.524(6) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C18 C38 1.552(7) . ?
C18 O6 1.232(6) . ?
C18 O8 1.243(6) . ?
C22 H22 0.9300 . ?
C22 C30 1.378(6) . ?
C24 C41 1.532(7) . ?
C24 O7 1.244(6) . ?
C24 O11 1.221(5) . ?
C25 H25 0.9300 . ?
C25 C27 1.376(6) . ?
C25 N1 1.332(5) . ?
C27 H27 0.9300 . ?
C27 N5 1.337(6) . ?
C28 H28 0.9300 . ?
C28 N5 1.337(5) . ?
C29 H29 0.9300 . ?
C29 C36 1.382(7) . ?
C30 H30 0.9300 . ?
C30 C34 1.382(7) . ?
C31 C42 1.487(6) . ?
C31 C44 1.392(7) . ?
C31 C50 1.391(7) . ?
C31 C76 1.389(8) . ?
C31 C77 1.395(8) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 H32C 0.9700 . ?
C32 H32D 0.9700 . ?
C32 C37 1.488(7) . ?
C32 C69 1.529(11) . ?
C32 S3 1.840(4) . ?
C34 H34 0.9300 . ?
C34 C36 1.374(8) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 S1 1.853(4) . ?
C36 H36 0.9300 . ?
C37 C47 1.374(9) . ?
C37 C59 1.394(7) . ?
C38 F2 1.323(6) . ?
C38 F4 1.326(6) . ?
C38 F6 1.327(6) . ?
C38 F19 1.318(8) . ?
C38 F20 1.321(8) . ?
C38 F21 1.324(9) . ?
C39 C43 1.536(7) . ?
C39 O9 1.245(6) . ?
C39 O14 1.215(7) . ?
C40 C48 1.517(7) . ?
C40 O12 1.201(6) . ?
C40 O13 1.236(6) . ?
C41 F3 1.340(7) . ?
C41 F7 1.317(7) . ?
C41 F12 1.339(7) . ?
C41 F13 1.339(7) . ?
C41 F14 1.343(7) . ?
C41 F15 1.317(7) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C42 S2 1.849(4) . ?
C43 F5 1.329(7) . ?
C43 F9 1.326(7) . ?
C43 F10 1.337(7) . ?
C43 F16 1.332(7) . ?
C43 F17 1.330(8) . ?
C43 F18 1.331(8) . ?
C44 H44 0.9300 . ?
C44 C57 1.394(7) . ?
C47 H47 0.9300 . ?
C47 C61 1.384(10) . ?
C48 F1 1.340(7) . ?
C48 F8 1.343(7) . ?
C48 F11 1.340(7) . ?
C48 F22 1.343(8) . ?
C48 F23 1.343(8) . ?
C48 F24 1.345(8) . ?
C50 H50 0.9300 . ?
C50 C58 1.438(18) . ?
C54 H54 0.9300 . ?
C54 H54A 0.9300 . ?
C54 N16 1.326(11) . ?
C54 N18 1.30(3) . ?
C54 O15 1.258(8) . ?
C57 H57 0.9300 . ?
C57 C60 1.374(17) . ?
C58 H58 0.9300 . ?
C58 C60 1.35(2) . ?
C59 H59 0.9300 . ?
C59 C65 1.399(7) . ?
C60 H60 0.9300 . ?
C61 H61 0.9300 . ?
C61 C63 1.370(13) . ?
C63 H63 0.9300 . ?
C63 C65 1.383(7) . ?
C65 H65 0.9300 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C66 N16 1.473(10) . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C67 O17 1.373(17) . ?
C68 H68 0.9300 . ?
C68 C69 1.413(9) . ?
C68 C73 1.405(9) . ?
C69 C70 1.416(9) . ?
C70 H70 0.9300 . ?
C70 C71 1.407(9) . ?
C71 H71 0.9300 . ?
C71 C72 1.401(9) . ?
C72 H72 0.9300 . ?
C72 C73 1.397(9) . ?
C73 H73 0.9300 . ?
C74 H74 0.9300 . ?
C74 C75 1.31(3) . ?
C74 C78 1.39(3) . ?
C75 H75 0.9300 . ?
C75 C76 1.391(8) . ?
C76 H76 0.9300 . ?
C77 H77 0.9300 . ?
C77 C78 1.398(9) . ?
C78 H78 0.9300 . ?
C79 H79A 0.9600 . ?
C79 H79B 0.9600 . ?
C79 H79C 0.9600 . ?
C79 O18 1.389(10) . ?
C80 H80 0.9300 . ?
C80 N17 1.409(16) . ?
C80 O17 1.19(2) . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?
C81 N17 1.407(16) . ?
C82 H82A 0.9600 . ?
C82 H82B 0.9600 . ?
C82 H82C 0.9600 . ?
C82 N17 1.405(16) . ?
C83 H83A 0.9600 . ?
C83 H83B 0.9600 . ?
C83 H83C 0.9600 . ?
C83 N16 1.465(10) . ?
C84 H84A 0.9600 . ?
C84 H84B 0.9600 . ?
C84 H84C 0.9600 . ?
C84 N18 1.466(12) . ?
C85 H85A 0.9600 . ?
C85 H85B 0.9600 . ?
C85 H85C 0.9600 . ?
C85 N18 1.467(12) . ?
O18 H18 0.8027 . ?
S1 Ag2 2.5451(10) 3_666 ?
S2 Ag3 2.5480(10) 3_666 ?
S2 Ag5 2.5777(10) 3_666 ?
C1 N2 1.381(6) . ?
C1 N10 1.370(5) . ?
C1 O2 1.214(5) . ?
C2 H2 0.9800 . ?
C2 C17 1.553(6) . ?
C2 N2 1.443(5) . ?
C2 N7 1.441(5) . ?
C3 N3 1.375(5) . ?
C3 N8 1.369(6) . ?
C3 O3 1.214(5) . ?
C4 H4 0.9800 . ?
C4 C8 1.548(6) . ?
C4 N3 1.449(5) . ?
C4 N6 1.454(5) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 N9 1.439(6) . ?
C5 N11 1.445(5) 3_656 ?
C6 N4 1.363(6) . ?
C6 N13 1.378(5) . ?
C6 O1 1.217(5) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 N6 1.445(6) . ?
C7 N12 1.448(6) . ?
C8 H8 0.9800 . ?
C8 N8 1.452(5) . ?
C8 N9 1.446(5) . ?
C12 N7 1.376(6) . ?
C12 N12 1.377(5) . ?
C12 O4 1.211(5) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 N4 1.447(5) 3_656 ?
C13 N8 1.449(5) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 N3 1.445(6) . ?
C15 N10 1.448(5) . ?
C17 H17 0.9800 . ?
C17 N10 1.443(5) . ?
C17 N12 1.443(5) . ?
C19 N6 1.372(6) . ?
C19 N9 1.370(6) . ?
C19 O5 1.225(5) . ?
C20 H20 0.9800 . ?
C20 C23 1.544(6) . ?
C20 N4 1.445(5) . ?
C20 N11 1.451(6) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 N7 1.446(6) . ?
C21 N13 1.442(6) . ?
C23 H23 0.9800 . ?
C23 N13 1.447(5) . ?
C23 N14 1.447(6) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 N2 1.440(6) . ?
C26 N14 1.449(5) . ?
C33 N11 1.379(6) . ?
C33 N14 1.373(6) . ?
C33 O10 1.210(5) . ?
N4 C13 1.447(5) 3_656 ?
N11 C5 1.445(5) 3_656 ?
C45 H45 0.9300 . ?
C45 C49 1.355(9) . ?
C45 C56 1.398(10) . ?
C49 H49 0.9300 . ?
C49 C52 1.389(10) . ?
C51 H51 0.9300 . ?
C51 C53 1.453(12) . ?
C51 C56 1.371(10) . ?
C52 H52 0.9300 . ?
C52 C53 1.315(11) . ?
C53 H53 0.9300 . ?
C56 C64 1.451(10) . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C46 H46 0.9300 . ?
C46 N15 1.320(7) . ?
C46 O16 1.230(7) . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C55 N15 1.448(8) . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C62 N15 1.429(9) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag2 Ag1 Ag3 60.292(10) 3_666 3_666 ?
Ag2 Ag1 Ag4 143.085(15) 3_666 . ?
Ag2 Ag1 Ag6 103.752(13) 3_666 . ?
Ag3 Ag1 Ag4 98.212(12) 3_666 . ?
Ag3 Ag1 Ag6 148.901(15) 3_666 . ?
Ag6 Ag1 Ag4 79.127(11) . . ?
O17 Ag1 Ag2 122.2(2) . 3_666 ?
O17 Ag1 Ag3 122.0(2) . 3_666 ?
O17 Ag1 Ag4 94.4(2) . . ?
O17 Ag1 Ag6 89.0(2) . . ?
S1 Ag1 Ag2 55.60(2) . 3_666 ?
S1 Ag1 Ag3 115.04(3) . 3_666 ?
S1 Ag1 Ag4 127.15(3) . . ?
S1 Ag1 Ag6 51.02(2) . . ?
S1 Ag1 O17 100.35(17) . . ?
S2 Ag1 Ag2 112.64(3) . 3_666 ?
S2 Ag1 Ag3 52.60(2) . 3_666 ?
S2 Ag1 Ag4 51.61(2) . . ?
S2 Ag1 Ag6 130.49(3) . . ?
S2 Ag1 O17 98.27(17) . . ?
S2 Ag1 S1 161.36(4) . . ?
Ag1 Ag2 Ag3 63.204(10) 3_666 . ?
Ag4 Ag2 Ag1 117.860(14) . 3_666 ?
Ag4 Ag2 Ag3 102.464(13) . . ?
O8 Ag2 Ag1 143.81(9) . 3_666 ?
O8 Ag2 Ag3 138.45(9) . . ?
O8 Ag2 Ag4 88.70(8) . . ?
O8 Ag2 O12 84.87(15) . . ?
O8 Ag2 S1 102.68(10) . 3_666 ?
O8 Ag2 S3 108.62(10) . . ?
O12 Ag2 Ag1 71.15(13) . 3_666 ?
O12 Ag2 Ag3 77.89(11) . . ?
O12 Ag2 Ag4 170.28(13) . . ?
O12 Ag2 S1 90.21(13) . 3_666 ?
O12 Ag2 S3 120.98(11) . . ?
S1 Ag2 Ag1 52.41(2) 3_666 3_666 ?
S1 Ag2 Ag3 114.76(2) 3_666 . ?
S1 Ag2 Ag4 98.33(2) 3_666 . ?
S3 Ag2 Ag1 106.92(2) . 3_666 ?
S3 Ag2 Ag3 53.65(2) . . ?
S3 Ag2 Ag4 54.55(2) . . ?
S3 Ag2 S1 136.89(3) . 3_666 ?
Ag1 Ag3 Ag5 90.679(12) 3_666 . ?
Ag2 Ag3 Ag1 56.503(10) . 3_666 ?
Ag2 Ag3 Ag5 132.962(14) . . ?
Ag2 Ag3 Ag6 96.673(13) . . ?
Ag6 Ag3 Ag1 113.943(14) . 3_666 ?
Ag6 Ag3 Ag5 64.443(11) . . ?
O7 Ag3 Ag1 156.70(9) . 3_666 ?
O7 Ag3 Ag2 140.27(8) . . ?
O7 Ag3 Ag5 82.86(8) . . ?
O7 Ag3 Ag6 83.40(10) . . ?
O7 Ag3 O13 82.43(13) . . ?
O7 Ag3 S2 112.52(9) . 3_666 ?
O7 Ag3 S3 103.40(10) . . ?
O13 Ag3 Ag1 88.07(11) . 3_666 ?
O13 Ag3 Ag2 78.06(11) . . ?
O13 Ag3 Ag5 139.00(13) . . ?
O13 Ag3 Ag6 149.93(13) . . ?
O13 Ag3 S2 103.18(13) . 3_666 ?
O13 Ag3 S3 107.23(13) . . ?
S2 Ag3 Ag1 49.22(2) 3_666 3_666 ?
S2 Ag3 Ag2 105.50(2) 3_666 . ?
S2 Ag3 Ag5 49.47(2) 3_666 . ?
S2 Ag3 Ag6 106.73(3) 3_666 . ?
S2 Ag3 S3 135.30(3) 3_666 . ?
S3 Ag3 Ag1 99.72(2) . 3_666 ?
S3 Ag3 Ag2 51.89(2) . . ?
S3 Ag3 Ag5 113.35(2) . . ?
S3 Ag3 Ag6 51.15(2) . . ?
Ag2 Ag4 Ag1 95.100(13) . . ?
O6 Ag4 Ag1 153.48(8) . . ?
O6 Ag4 Ag2 72.77(8) . . ?
O6 Ag4 S2 109.76(8) . . ?
O6 Ag4 S3 108.61(8) . . ?
O15 Ag4 Ag1 113.57(13) . . ?
O15 Ag4 Ag2 149.89(13) . . ?
O15 Ag4 O6 84.11(16) . . ?
O15 Ag4 S2 103.37(13) . . ?
O15 Ag4 S3 119.78(14) . . ?
S2 Ag4 Ag1 48.74(2) . . ?
S2 Ag4 Ag2 102.47(3) . . ?
S3 Ag4 Ag1 80.51(2) . . ?
S3 Ag4 Ag2 53.94(2) . . ?
S3 Ag4 S2 123.99(3) . . ?
N5 Ag5 Ag3 139.09(8) . . ?
N5 Ag5 O11 90.39(13) . . ?
N5 Ag5 S1 134.60(9) . . ?
N5 Ag5 S2 115.22(9) . 3_666 ?
O11 Ag5 Ag3 67.85(9) . . ?
O11 Ag5 S1 104.02(10) . . ?
O11 Ag5 S2 108.40(9) . 3_666 ?
S1 Ag5 Ag3 85.48(2) . . ?
S1 Ag5 S2 100.81(3) . 3_666 ?
S2 Ag5 Ag3 48.70(2) 3_666 . ?
Ag3 Ag6 Ag1 96.042(13) . . ?
O9 Ag6 Ag1 127.94(10) . . ?
O9 Ag6 Ag3 135.90(10) . . ?
O9 Ag6 S1 112.46(9) . . ?
O9 Ag6 S3 127.57(9) . . ?
S1 Ag6 Ag1 49.26(2) . . ?
S1 Ag6 Ag3 92.72(2) . . ?
S3 Ag6 Ag1 81.34(2) . . ?
S3 Ag6 Ag3 53.81(2) . . ?
S3 Ag6 S1 118.55(3) . . ?
C28 C9 H9 120.4 . . ?
N1 C9 H9 120.4 . . ?
N1 C9 C28 119.2(4) . . ?
C22 C10 C35 120.1(4) . . ?
C29 C10 C22 119.2(4) . . ?
C29 C10 C35 120.6(4) . . ?
H11A C11 H11B 107.6 . . ?
C16 C11 H11A 108.7 . . ?
C16 C11 H11B 108.7 . . ?
N1 C11 H11A 108.7 . . ?
N1 C11 H11B 108.7 . . ?
N1 C11 C16 114.1(4) . . ?
C14 C14 H14A 109.1 3_565 . ?
C14 C14 H14B 109.1 3_565 . ?
C14 C14 C16 112.4(5) 3_565 . ?
H14A C14 H14B 107.9 . . ?
C16 C14 H14A 109.1 . . ?
C16 C14 H14B 109.1 . . ?
C11 C16 C14 109.8(4) . . ?
C11 C16 H16A 109.7 . . ?
C11 C16 H16B 109.7 . . ?
C14 C16 H16A 109.7 . . ?
C14 C16 H16B 109.7 . . ?
H16A C16 H16B 108.2 . . ?
O6 C18 C38 115.0(4) . . ?
O6 C18 O8 130.4(4) . . ?
O8 C18 C38 114.5(4) . . ?
C10 C22 H22 119.9 . . ?
C30 C22 C10 120.3(4) . . ?
C30 C22 H22 119.9 . . ?
O7 C24 C41 114.1(4) . . ?
O11 C24 C41 114.9(4) . . ?
O11 C24 O7 131.0(5) . . ?
C27 C25 H25 120.4 . . ?
N1 C25 H25 120.4 . . ?
N1 C25 C27 119.2(4) . . ?
C25 C27 H27 118.9 . . ?
N5 C27 C25 122.2(4) . . ?
N5 C27 H27 118.9 . . ?
C9 C28 H28 118.9 . . ?
N5 C28 C9 122.2(4) . . ?
N5 C28 H28 118.9 . . ?
C10 C29 H29 120.0 . . ?
C36 C29 C10 120.0(5) . . ?
C36 C29 H29 120.0 . . ?
C22 C30 H30 120.0 . . ?
C22 C30 C34 120.1(5) . . ?
C34 C30 H30 120.0 . . ?
C44 C31 C42 115.9(7) . . ?
C50 C31 C42 127.3(9) . . ?
C50 C31 C44 116.7(10) . . ?
C76 C31 C42 126.8(10) . . ?
C76 C31 C77 120.9(12) . . ?
C77 C31 C42 111.9(10) . . ?
H32A C32 H32B 107.4 . . ?
H32C C32 H32D 109.0 . . ?
C37 C32 H32A 108.2 . . ?
C37 C32 H32B 108.2 . . ?
C37 C32 S3 116.3(4) . . ?
C69 C32 H32C 111.1 . . ?
C69 C32 H32D 111.1 . . ?
C69 C32 S3 103.5(16) . . ?
S3 C32 H32A 108.2 . . ?
S3 C32 H32B 108.2 . . ?
S3 C32 H32C 111.1 . . ?
S3 C32 H32D 111.1 . . ?
C30 C34 H34 120.0 . . ?
C36 C34 C30 120.0(5) . . ?
C36 C34 H34 120.0 . . ?
C10 C35 H35A 109.9 . . ?
C10 C35 H35B 109.9 . . ?
C10 C35 S1 109.1(3) . . ?
H35A C35 H35B 108.3 . . ?
S1 C35 H35A 109.9 . . ?
S1 C35 H35B 109.9 . . ?
C29 C36 H36 119.8 . . ?
C34 C36 C29 120.4(5) . . ?
C34 C36 H36 119.8 . . ?
C47 C37 C32 120.3(6) . . ?
C47 C37 C59 121.4(6) . . ?
C59 C37 C32 118.3(6) . . ?
F2 C38 C18 113.5(5) . . ?
F2 C38 F4 104.6(6) . . ?
F2 C38 F6 108.5(6) . . ?
F4 C38 C18 112.4(5) . . ?
F4 C38 F6 105.4(6) . . ?
F6 C38 C18 111.9(4) . . ?
F19 C38 C18 110.4(16) . . ?
F19 C38 F20 121(2) . . ?
F19 C38 F21 110(2) . . ?
F20 C38 C18 108.7(10) . . ?
F20 C38 F21 102(2) . . ?
F21 C38 C18 103.4(15) . . ?
O9 C39 C43 113.3(4) . . ?
O14 C39 C43 117.5(5) . . ?
O14 C39 O9 129.1(5) . . ?
O12 C40 C48 115.5(5) . . ?
O12 C40 O13 130.8(5) . . ?
O13 C40 C48 113.7(4) . . ?
F3 C41 C24 110.5(7) . . ?
F7 C41 C24 116.4(8) . . ?
F7 C41 F3 108.5(10) . . ?
F7 C41 F12 106.7(7) . . ?
F12 C41 C24 110.7(6) . . ?
F12 C41 F3 103.2(8) . . ?
F13 C41 C24 109.1(7) . . ?
F13 C41 F14 102.6(10) . . ?
F14 C41 C24 111.0(8) . . ?
F15 C41 C24 118.6(10) . . ?
F15 C41 F13 110.2(10) . . ?
F15 C41 F14 104.1(12) . . ?
C31 C42 H42A 108.9 . . ?
C31 C42 H42B 108.9 . . ?
C31 C42 S2 113.5(3) . . ?
H42A C42 H42B 107.7 . . ?
S2 C42 H42A 108.9 . . ?
S2 C42 H42B 108.9 . . ?
F5 C43 C39 111.0(11) . . ?
F5 C43 F10 103.6(9) . . ?
F9 C43 C39 113.6(7) . . ?
F9 C43 F5 111.8(12) . . ?
F9 C43 F10 105.3(8) . . ?
F10 C43 C39 111.0(7) . . ?
F16 C43 C39 109.4(10) . . ?
F17 C43 C39 112.2(11) . . ?
F17 C43 F16 110.4(12) . . ?
F17 C43 F18 108.5(16) . . ?
F18 C43 C39 115.0(14) . . ?
F18 C43 F16 100.7(13) . . ?
C31 C44 H44 119.0 . . ?
C31 C44 C57 121.9(13) . . ?
C57 C44 H44 119.0 . . ?
C37 C47 H47 120.6 . . ?
C37 C47 C61 118.8(8) . . ?
C61 C47 H47 120.6 . . ?
F1 C48 C40 116.0(12) . . ?
F1 C48 F8 102.5(16) . . ?
F1 C48 F11 103.6(16) . . ?
F8 C48 C40 111.8(9) . . ?
F11 C48 C40 116.0(15) . . ?
F11 C48 F8 105.4(13) . . ?
F22 C48 C40 103.0(19) . . ?
F22 C48 F23 115(3) . . ?
F22 C48 F24 113(2) . . ?
F23 C48 C40 116.5(15) . . ?
F23 C48 F24 103.7(19) . . ?
F24 C48 C40 106.0(16) . . ?
C31 C50 H50 119.4 . . ?
C31 C50 C58 121.3(13) . . ?
C58 C50 H50 119.4 . . ?
N16 C54 H54 119.7 . . ?
N18 C54 H54A 108.1 . . ?
O15 C54 H54 119.7 . . ?
O15 C54 H54A 108.1 . . ?
O15 C54 N16 120.5(8) . . ?
O15 C54 N18 143.8(13) . . ?
C44 C57 H57 120.4 . . ?
C60 C57 C44 119.2(14) . . ?
C60 C57 H57 120.4 . . ?
C50 C58 H58 120.8 . . ?
C60 C58 C50 118.4(13) . . ?
C60 C58 H58 120.8 . . ?
C37 C59 H59 120.7 . . ?
C37 C59 C65 118.6(7) . . ?
C65 C59 H59 120.7 . . ?
C57 C60 H60 119.0 . . ?
C58 C60 C57 122.0(14) . . ?
C58 C60 H60 119.0 . . ?
C47 C61 H61 119.4 . . ?
C63 C61 C47 121.2(8) . . ?
C63 C61 H61 119.4 . . ?
C61 C63 H63 120.0 . . ?
C61 C63 C65 120.1(7) . . ?
C65 C63 H63 120.0 . . ?
C59 C65 H65 120.0 . . ?
C63 C65 C59 119.9(7) . . ?
C63 C65 H65 120.0 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
N16 C66 H66A 109.5 . . ?
N16 C66 H66B 109.5 . . ?
N16 C66 H66C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
O17 C67 H67A 109.5 . . ?
O17 C67 H67B 109.5 . . ?
O17 C67 H67C 109.5 . . ?
C69 C68 H68 119.3 . . ?
C73 C68 H68 119.3 . . ?
C73 C68 C69 121.3(6) . . ?
C68 C69 C32 120.5(17) . . ?
C68 C69 C70 117.9(7) . . ?
C70 C69 C32 121.5(17) . . ?
C69 C70 H70 119.4 . . ?
C71 C70 C69 121.2(6) . . ?
C71 C70 H70 119.4 . . ?
C70 C71 H71 120.6 . . ?
C72 C71 C70 118.8(6) . . ?
C72 C71 H71 120.6 . . ?
C71 C72 H72 119.4 . . ?
C73 C72 C71 121.2(8) . . ?
C73 C72 H72 119.4 . . ?
C68 C73 H73 120.7 . . ?
C72 C73 C68 118.6(8) . . ?
C72 C73 H73 120.7 . . ?
C75 C74 H74 120.5 . . ?
C75 C74 C78 119.0(18) . . ?
C78 C74 H74 120.5 . . ?
C74 C75 H75 118.6 . . ?
C74 C75 C76 122.8(19) . . ?
C76 C75 H75 118.6 . . ?
C31 C76 C75 118.3(16) . . ?
C31 C76 H76 120.9 . . ?
C75 C76 H76 120.9 . . ?
C31 C77 H77 121.7 . . ?
C31 C77 C78 116.6(15) . . ?
C78 C77 H77 121.7 . . ?
C74 C78 C77 122.0(18) . . ?
C74 C78 H78 119.0 . . ?
C77 C78 H78 119.0 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
O18 C79 H79A 109.5 . . ?
O18 C79 H79B 109.5 . . ?
O18 C79 H79C 109.5 . . ?
N17 C80 H80 117.7 . . ?
O17 C80 H80 117.7 . . ?
O17 C80 N17 124.7(18) . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
N17 C81 H81A 109.5 . . ?
N17 C81 H81B 109.5 . . ?
N17 C81 H81C 109.5 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
N17 C82 H82A 109.5 . . ?
N17 C82 H82B 109.5 . . ?
N17 C82 H82C 109.5 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
N16 C83 H83A 109.5 . . ?
N16 C83 H83B 109.5 . . ?
N16 C83 H83C 109.5 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
N18 C84 H84A 109.5 . . ?
N18 C84 H84B 109.5 . . ?
N18 C84 H84C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
N18 C85 H85A 109.5 . . ?
N18 C85 H85B 109.5 . . ?
N18 C85 H85C 109.5 . . ?
C9 N1 C11 119.9(4) . . ?
C25 N1 C9 120.2(4) . . ?
C25 N1 C11 119.7(4) . . ?
C27 N5 Ag5 120.7(3) . . ?
C28 N5 Ag5 121.6(3) . . ?
C28 N5 C27 116.9(3) . . ?
C54 N16 C66 117.7(9) . . ?
C54 N16 C83 121.7(10) . . ?
C83 N16 C66 120.3(10) . . ?
C81 N17 C80 113(2) . . ?
C82 N17 C80 130(2) . . ?
C82 N17 C81 116(2) . . ?
C54 N18 C84 118(2) . . ?
C54 N18 C85 131(3) . . ?
C84 N18 C85 109(3) . . ?
C18 O6 Ag4 128.3(3) . . ?
C24 O7 Ag3 115.5(3) . . ?
C18 O8 Ag2 112.3(3) . . ?
C39 O9 Ag6 109.6(3) . . ?
C24 O11 Ag5 133.6(4) . . ?
C40 O12 Ag2 123.0(4) . . ?
C40 O13 Ag3 118.0(3) . . ?
C54 O15 Ag4 119.4(4) . . ?
C67 O17 Ag1 135.8(7) . . ?
C80 O17 Ag1 95.5(10) . . ?
C79 O18 H18 111.2 . . ?
Ag1 S1 Ag2 71.99(3) . 3_666 ?
Ag1 S1 Ag5 140.15(4) . . ?
Ag1 S1 Ag6 79.72(3) . . ?
Ag5 S1 Ag2 102.03(4) . 3_666 ?
Ag6 S1 Ag2 144.10(4) . 3_666 ?
Ag6 S1 Ag5 85.68(3) . . ?
C35 S1 Ag1 108.04(14) . . ?
C35 S1 Ag2 104.00(15) . 3_666 ?
C35 S1 Ag5 111.57(14) . . ?
C35 S1 Ag6 105.50(16) . . ?
Ag1 S2 Ag3 78.18(3) . 3_666 ?
Ag1 S2 Ag4 79.66(3) . . ?
Ag1 S2 Ag5 134.85(4) . 3_666 ?
Ag3 S2 Ag5 81.83(3) 3_666 3_666 ?
Ag4 S2 Ag3 140.14(4) . 3_666 ?
Ag4 S2 Ag5 91.04(3) . 3_666 ?
C42 S2 Ag1 104.53(15) . . ?
C42 S2 Ag3 106.48(19) . 3_666 ?
C42 S2 Ag4 110.94(19) . . ?
C42 S2 Ag5 119.90(16) . 3_666 ?
Ag2 S3 Ag3 74.46(3) . . ?
Ag2 S3 Ag4 71.52(3) . . ?
Ag4 S3 Ag3 133.98(4) . . ?
Ag6 S3 Ag2 134.05(4) . . ?
Ag6 S3 Ag3 75.04(3) . . ?
Ag6 S3 Ag4 108.71(4) . . ?
C32 S3 Ag2 106.58(16) . . ?
C32 S3 Ag3 99.85(16) . . ?
C32 S3 Ag4 118.88(15) . . ?
C32 S3 Ag6 111.86(16) . . ?
N10 C1 N2 107.6(3) . . ?
O2 C1 N2 125.9(4) . . ?
O2 C1 N10 126.4(4) . . ?
C17 C2 H2 111.4 . . ?
N2 C2 H2 111.4 . . ?
N2 C2 C17 103.4(3) . . ?
N7 C2 H2 111.4 . . ?
N7 C2 C17 103.1(3) . . ?
N7 C2 N2 115.6(3) . . ?
N8 C3 N3 107.8(3) . . ?
O3 C3 N3 125.9(4) . . ?
O3 C3 N8 126.3(4) . . ?
C8 C4 H4 111.9 . . ?
N3 C4 H4 111.9 . . ?
N3 C4 C8 103.3(3) . . ?
N3 C4 N6 114.0(3) . . ?
N6 C4 H4 111.9 . . ?
N6 C4 C8 103.3(3) . . ?
H5A C5 H5B 107.6 . . ?
N9 C5 H5A 108.7 . . ?
N9 C5 H5B 108.7 . . ?
N9 C5 N11 114.2(3) . 3_656 ?
N11 C5 H5A 108.7 3_656 . ?
N11 C5 H5B 108.7 3_656 . ?
N4 C6 N13 107.9(4) . . ?
O1 C6 N4 126.6(4) . . ?
O1 C6 N13 125.5(4) . . ?
H7A C7 H7B 107.7 . . ?
N6 C7 H7A 108.8 . . ?
N6 C7 H7B 108.8 . . ?
N6 C7 N12 113.7(3) . . ?
N12 C7 H7A 108.8 . . ?
N12 C7 H7B 108.8 . . ?
C4 C8 H8 111.5 . . ?
N8 C8 C4 103.3(3) . . ?
N8 C8 H8 111.5 . . ?
N9 C8 C4 103.3(3) . . ?
N9 C8 H8 111.5 . . ?
N9 C8 N8 115.0(3) . . ?
N7 C12 N12 107.2(4) . . ?
O4 C12 N7 126.3(4) . . ?
O4 C12 N12 126.5(4) . . ?
H13A C13 H13B 107.7 . . ?
N4 C13 H13A 108.8 3_656 . ?
N4 C13 H13B 108.8 3_656 . ?
N4 C13 N8 113.7(3) 3_656 . ?
N8 C13 H13A 108.8 . . ?
N8 C13 H13B 108.8 . . ?
H15A C15 H15B 107.6 . . ?
N3 C15 H15A 108.7 . . ?
N3 C15 H15B 108.7 . . ?
N3 C15 N10 114.3(3) . . ?
N10 C15 H15A 108.7 . . ?
N10 C15 H15B 108.7 . . ?
C2 C17 H17 111.2 . . ?
N10 C17 C2 103.4(3) . . ?
N10 C17 H17 111.2 . . ?
N10 C17 N12 115.9(4) . . ?
N12 C17 C2 103.5(3) . . ?
N12 C17 H17 111.2 . . ?
N9 C19 N6 108.1(3) . . ?
O5 C19 N6 126.1(4) . . ?
O5 C19 N9 125.8(4) . . ?
C23 C20 H20 111.5 . . ?
N4 C20 H20 111.5 . . ?
N4 C20 C23 103.0(3) . . ?
N4 C20 N11 114.9(4) . . ?
N11 C20 H20 111.5 . . ?
N11 C20 C23 103.8(3) . . ?
H21A C21 H21B 107.7 . . ?
N7 C21 H21A 108.8 . . ?
N7 C21 H21B 108.8 . . ?
N13 C21 H21A 108.8 . . ?
N13 C21 H21B 108.8 . . ?
N13 C21 N7 113.9(4) . . ?
C20 C23 H23 111.4 . . ?
N13 C23 C20 103.8(3) . . ?
N13 C23 H23 111.4 . . ?
N14 C23 C20 103.0(3) . . ?
N14 C23 H23 111.4 . . ?
N14 C23 N13 115.4(4) . . ?
H26A C26 H26B 107.6 . . ?
N2 C26 H26A 108.7 . . ?
N2 C26 H26B 108.7 . . ?
N2 C26 N14 114.4(4) . . ?
N14 C26 H26A 108.7 . . ?
N14 C26 H26B 108.7 . . ?
N14 C33 N11 107.2(4) . . ?
O10 C33 N11 126.2(4) . . ?
O10 C33 N14 126.6(4) . . ?
C1 N2 C2 112.3(3) . . ?
C1 N2 C26 121.5(4) . . ?
C26 N2 C2 124.2(4) . . ?
C3 N3 C4 112.7(4) . . ?
C3 N3 C15 122.6(4) . . ?
C15 N3 C4 124.6(3) . . ?
C6 N4 C13 122.6(4) . 3_656 ?
C6 N4 C20 113.0(3) . . ?
C20 N4 C13 123.8(4) . 3_656 ?
C7 N6 C4 122.9(4) . . ?
C19 N6 C4 112.0(3) . . ?
C19 N6 C7 121.6(3) . . ?
C2 N7 C21 124.1(4) . . ?
C12 N7 C2 113.2(4) . . ?
C12 N7 C21 122.1(4) . . ?
C3 N8 C8 112.7(3) . . ?
C3 N8 C13 122.0(4) . . ?
C13 N8 C8 123.9(4) . . ?
C5 N9 C8 125.1(4) . . ?
C19 N9 C5 122.2(4) . . ?
C19 N9 C8 112.6(4) . . ?
C1 N10 C15 121.9(4) . . ?
C1 N10 C17 112.8(4) . . ?
C17 N10 C15 123.7(3) . . ?
C5 N11 C20 123.6(4) 3_656 . ?
C33 N11 C5 122.4(4) . 3_656 ?
C33 N11 C20 112.4(4) . . ?
C12 N12 C7 122.3(4) . . ?
C12 N12 C17 112.8(4) . . ?
C17 N12 C7 124.2(4) . . ?
C6 N13 C21 122.7(4) . . ?
C6 N13 C23 111.9(3) . . ?
C21 N13 C23 123.1(4) . . ?
C23 N14 C26 123.6(4) . . ?
C33 N14 C23 113.4(4) . . ?
C33 N14 C26 122.5(4) . . ?
C49 C45 H45 120.7 . . ?
C49 C45 C56 118.7(7) . . ?
C56 C45 H45 120.7 . . ?
C45 C49 H49 118.6 . . ?
C45 C49 C52 122.8(7) . . ?
C52 C49 H49 118.6 . . ?
C53 C51 H51 119.7 . . ?
C56 C51 H51 119.7 . . ?
C56 C51 C53 120.7(7) . . ?
C49 C52 H52 119.8 . . ?
C53 C52 C49 120.4(8) . . ?
C53 C52 H52 119.8 . . ?
C51 C53 H53 120.8 . . ?
C52 C53 C51 118.4(8) . . ?
C52 C53 H53 120.8 . . ?
C45 C56 C64 120.8(8) . . ?
C51 C56 C45 119.0(7) . . ?
C51 C56 C64 120.2(8) . . ?
C56 C64 H64A 109.5 . . ?
C56 C64 H64B 109.5 . . ?
C56 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
N15 C46 H46 118.3 . . ?
O16 C46 H46 118.3 . . ?
O16 C46 N15 123.4(7) . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
N15 C55 H55A 109.5 . . ?
N15 C55 H55B 109.5 . . ?
N15 C55 H55C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N15 C62 H62A 109.5 . . ?
N15 C62 H62B 109.5 . . ?
N15 C62 H62C 109.5 . . ?
C46 N15 C55 120.0(6) . . ?
C46 N15 C62 121.9(6) . . ?
C62 N15 C55 118.1(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 2.434
_oxdiff_exptl_absorpt_empirical_full_min 0.690
####################################################################### 
# 
# 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_SCM_1
_database_code_depnum_ccdc_archive 'CCDC 2095835'
loop_
_audit_author_name
_audit_author_address
'Si Li'
;ZhengZhou University
China
;
_audit_update_record             
;
2021-09-27 deposited with the CCDC.	2021-09-29 downloaded from the CCDC.
;
_audit_creation_date             2021-09-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;

# start Validation Reply Form
_vrf_PLAT084_SCM_1               
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.36 Report
RESPONSE: This alert is caused by low resolution and high residual density 
(due to serious truncation effects of heavy metal atoms). Several randomly-
selected single crystals were tested to get better diffraction data, 
unfortunately, those data show similar crystallographic issue. Even so, 
we think that these alert level B in checkCif should not disturb the 
determination of crystal structure for the following reasons:
(1) The final refinement results with low R1: 0.1317/I > 2?\`O (I) and Rint
 valule: 0.0865 demonstrate the structural matrix and refinement are undoubted.
(2) The chemical formula, information of bond length and angle as well as basic
 structural matrix accord very well with reported silver(I) cluster.
(3) The simulated PXRD pattern from single crystal X-ray diffraction data 
accords very well with experimental pattern.
;
_vrf_PLAT342_SCM_1               
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.03588 Ang.
RESPONSE: The structure is badly disordered in both the framework and the guest 
molecules, which causes the low bond precision on C-C bonds.
;
# end Validation Reply Form

_chemical_formula_moiety         
'0.5(C128 H170.67 Ag24 N8 O48 S28), 0.66(C36 H36 N24 O12), 0.34(C36 H32 N24 O12)'
_chemical_formula_sum            'C100 H119.96 Ag12 N28 O36 S14'
_chemical_formula_weight         4033.48
_chemical_melting_point          ?
_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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 1 2/c 1'
_space_group_name_Hall           '-P 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   14.7785(17)
_cell_length_b                   15.0645(13)
_cell_length_c                   29.008(3)
_cell_angle_alpha                90
_cell_angle_beta                 92.988(10)
_cell_angle_gamma                90
_cell_volume                     6449.3(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11644
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      72.5920
_cell_measurement_theta_min      2.9580
_shelx_estimated_absorpt_T_max   0.726
_shelx_estimated_absorpt_T_min   0.627
_exptl_absorpt_coefficient_mu    17.144
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.51829
_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_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.077
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3984
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0865
_diffrn_reflns_av_unetI/netI     0.0725
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            34606
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.792
_diffrn_reflns_theta_min         2.933
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -28.00  88.00   0.50    0.50    --    0.00  38.00 -60.00  232
  2  ω    -21.00  30.00   0.50    0.50    --    0.00  38.00-150.00  102
  3  ω     -7.00  28.00   0.50    0.50    --    0.00 -57.00   0.00   70
  4  ω    -45.00 -12.00   0.50    0.50    --    0.00 -57.00   0.00   66
  5  ω     60.00  86.00   0.50    0.50    --    0.00  38.00-150.00   52
  6  ω    135.00 161.00   0.50    5.00    --   97.60  30.00 150.00   52
  7  ω      8.00 106.00   0.50    5.00    --   97.60 -61.00-120.00  196
  8  ω      9.00 104.00   0.50    5.00    --   97.60 -45.00-120.00  190
  9  ω     70.00 176.00   0.50    5.00    --   97.60  45.00 120.00  212
 10  ω     65.00 187.00   0.50    5.00    --   97.60  82.00   0.00  244
 11  ω     69.00 165.00   0.50    5.00    --   97.60  45.00  90.00  192
 12  ω    123.00 149.00   0.50    5.00    --   97.60 -15.00  90.00   52
 13  ω     92.00 118.00   0.50    5.00    --   97.60 -61.00-180.00   52
 14  ω      9.00  50.00   0.50    5.00    --   97.60 -15.00  90.00   82
;
_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      -0.0561100000
_diffrn_orient_matrix_UB_12      -0.0335495000
_diffrn_orient_matrix_UB_13      -0.0431545000
_diffrn_orient_matrix_UB_21      -0.0615565000
_diffrn_orient_matrix_UB_22      0.0816298000
_diffrn_orient_matrix_UB_23      0.0027780000
_diffrn_orient_matrix_UB_31      0.0634815000
_diffrn_orient_matrix_UB_32      0.0518587000
_diffrn_orient_matrix_UB_33      -0.0306041000
_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                9020
_reflns_number_total             12669
_reflns_odcompleteness_completeness 99.90
_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.
 
 _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         4.156
_refine_diff_density_min         -3.246
_refine_diff_density_rms         0.282
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1331
_refine_ls_number_reflns         12669
_refine_ls_number_restraints     1083
_refine_ls_R_factor_all          0.1558
_refine_ls_R_factor_gt           0.1317
_refine_ls_restrained_S_all      1.036
_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)+(0.1683P)²+180.7074P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3430
_refine_ls_wR_factor_ref         0.3621
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 S8-C70
 1.7 with sigma of 0.01
 N9-C51 \\sim N8-C46 \\sim N8-C43 \\sim N12-C48 \\sim N6-C48 \\sim N14-C40
\\sim N7-C40 \\sim N4-C36 \\sim N3-
 C36 \\sim N11-C42 \\sim N10-C42
 with sigma of 0.01
 N9-C47 \\sim N11-C46 \\sim N13-C49 \\sim N12-C38
 with sigma of 0.01
 O27-C70 \\sim C70-O26
 with sigma of 0.01
 S6-C31 \\sim S8-C70
 with sigma of 0.01
 O26-C70 \\sim C70-O25
 with sigma of 0.01
 S5-C71 \\sim S5-C26
 with sigma of 0.01
 N15-C63 \\sim N24-C63 \\sim N13-C43 \\sim N8-C43
 with sigma of 0.01
 C77-C76 \\sim C74-C78
 with sigma of 0.01
 C75-C78 \\sim C74-C75 \\sim C74-C76 \\sim C73-C76 \\sim C77-C73 \\sim C78-C77
 with sigma of 0.01
 N18-C57 \\sim N21-C57 \\sim N14-C39 \\sim N4-C39
 with sigma of 0.01
 N21-O20 \\sim O20-N18
 with sigma of 0.01
 O24-C69 \\sim O16-C35 \\sim O17-C37 \\sim O23-C67 \\sim O21-C59 \\sim O18-C41
\\sim O22-C61 \\sim O15-C44
 \\sim O13-C34 \\sim O19-C52 \\sim O14-C39 \\sim O20-C57
 with sigma of 0.01
 O12-C31 \\sim C31-O9
 with sigma of 0.01
 O9-C31 \\sim C31-O10
 with sigma of 0.01
 S8-O27 \\sim S6-O12 \\sim S6-O10 \\sim S8-O25 \\sim S8-O26 \\sim S6-O9
 with sigma of 0.01
3. Restrained planarity
 C73, C74, C75, C76, C77, C78
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
C28 \\sim C33: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
N1 \\sim N2 \\sim N3 \\sim N4 \\sim N5 \\sim N6 \\sim N7 \\sim N8 \\sim N9
\\sim N10 \\sim N11 \\sim N12 \\sim N13 \\sim N14 \\sim N15 \\sim N16 \\sim N17
\\sim N18 \\sim N19 \\sim N20 \\sim N21 \\sim N22 \\sim N23 \\sim N24 \\sim N25
\\sim N26: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C31 \\sim C70: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C26 \\sim C71: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41 \\sim
C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49 \\sim
C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54 \\sim C55 \\sim C56 \\sim C57 \\sim
C58 \\sim C59 \\sim C60 \\sim C61 \\sim C62 \\sim C63 \\sim C64 \\sim C65 \\sim
C66 \\sim C67 \\sim C68 \\sim C69: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
C19 \\sim C22 \\sim C25 \\sim C27 \\sim C30 \\sim C32: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
O6 \\sim O8 \\sim O11 \\sim O28 \\sim O29 \\sim O30: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9 \\sim C72 \\sim C73
\\sim C74 \\sim C75 \\sim C76 \\sim C77 \\sim C78: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02
O13 \\sim O15 \\sim O16 \\sim O17 \\sim O18 \\sim O19 \\sim O21 \\sim O22 \\sim
O23 \\sim O24: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
O9 \\sim O10 \\sim O12: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
O9 \\sim O10 \\sim O12 \\sim O25 \\sim O26 \\sim O27: within 2A with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(O13) \\sim Ueq, Uanis(O19) \\sim Ueq, Uanis(O14) \\sim Ueq, Uanis(O20)
\\sim Ueq, Uanis(S6) \\sim Ueq, Uanis(S8) \\sim Ueq, Uanis(O22) \\sim Ueq: with
sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C26) \\sim Ueq, Uanis(O6) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C23)
\\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C12) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O26) \\sim Ueq, Uanis(O9) \\sim Ueq, Uanis(O27) \\sim Ueq, Uanis(O25)
\\sim Ueq, Uanis(O10) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(O23) \\sim Ueq, Uanis(O21) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
5. Others
 Sof(C52)=Sof(C53)=Sof(H53)=Sof(C54)=Sof(H54)=Sof(C55)=Sof(H55A)=Sof(H55B)=
 Sof(C56)=Sof(H56)=Sof(C57)=Sof(C58)=Sof(H58)=Sof(C59)=Sof(C60)=Sof(H60)=
 Sof(C61)=Sof(C62)=Sof(H62)=Sof(C63)=Sof(H63A)=Sof(H63B)=Sof(C64)=Sof(H64)=
 Sof(C65)=Sof(H65)=Sof(C66)=Sof(H66A)=Sof(H66B)=Sof(C67)=Sof(C68)=Sof(H68A)=
 Sof(H68B)=Sof(C69)=Sof(N15)=Sof(N16)=Sof(N17)=Sof(N18)=Sof(N19)=Sof(N20)=
 Sof(N21)=Sof(N22)=Sof(N23)=Sof(N24)=Sof(N25)=Sof(N26)=Sof(O19)=Sof(O20)=
 Sof(O21)=Sof(O22)=Sof(O23)=Sof(O24)=1-FVAR(1)
 Sof(C34)=Sof(C35)=Sof(C36)=Sof(H36A)=Sof(H36B)=Sof(C37)=Sof(C38)=Sof(H38)=
 Sof(C39)=Sof(C40)=Sof(H40A)=Sof(H40B)=Sof(C41)=Sof(C42)=Sof(H42A)=Sof(H42B)=
 Sof(C43)=Sof(H43A)=Sof(H43B)=Sof(C44)=Sof(C45)=Sof(H45)=Sof(C46)=Sof(H46)=
 Sof(C47)=Sof(H47)=Sof(C48)=Sof(H48A)=Sof(H48B)=Sof(C49)=Sof(H49)=Sof(C50)=
 Sof(H50)=Sof(C51)=Sof(H51A)=Sof(H51B)=Sof(N3)=Sof(N4)=Sof(N5)=Sof(N6)=Sof(N7)=
 Sof(N8)=Sof(N9)=Sof(N10)=Sof(N11)=Sof(N12)=Sof(N13)=Sof(N14)=Sof(O13)=Sof(O14)=
 Sof(O15)=Sof(O16)=Sof(O17)=Sof(O18)=FVAR(1)
 Sof(C70)=Sof(H70A)=Sof(H70B)=Sof(O25)=Sof(O26)=Sof(O27)=Sof(S8)=1-FVAR(2)
 Sof(C31)=Sof(H31B)=Sof(H31C)=Sof(H31A)=Sof(O9)=Sof(O10)=Sof(O12)=Sof(S6)=
 FVAR(2)
 Sof(C71)=Sof(H71A)=Sof(H71B)=Sof(H71C)=Sof(O28)=Sof(O29)=Sof(O30)=1-FVAR(3)
 Sof(C26)=Sof(H26A)=Sof(H26B)=Sof(H26C)=Sof(O6)=Sof(O8)=Sof(O11)=FVAR(3)
 Sof(C72)=Sof(H72A)=Sof(H72B)=Sof(C73)=Sof(C74)=Sof(H74)=Sof(C75)=Sof(H75)=
 Sof(C76)=Sof(H76)=Sof(C77)=Sof(H77)=Sof(C78)=Sof(H78)=1-FVAR(4)
 Sof(C3)=Sof(H3A)=Sof(H3B)=Sof(C4)=Sof(C5)=Sof(H5)=Sof(C6)=Sof(H6)=Sof(C7)=
 Sof(H7)=Sof(C8)=Sof(H8)=Sof(C9)=Sof(H9)=FVAR(4)
 Fixed Sof: H24A(0.5) H24B(0.5) H24C(0.5) H24D(0.5) C28(0.5) H28A(0.5)
 H28B(0.5) C33(0.5) H33A(0.5) H33B(0.5)
6.a Ternary CH refined with riding coordinates:
 C38(H38), C45(H45), C46(H46), C47(H47), C49(H49), C50(H50), C54(H54),
 C56(H56), C58(H58), C62(H62), C64(H64), C65(H65)
6.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C15(H15A,H15B), C16(H16A,H16B), C24(H24A,H24B),
 C24(H24C,H24D), C28(H28A,H28B), C33(H33A,H33B), C72(H72A,H72B), C36(H36A,H36B),
  C40(H40A,H40B), C42(H42A,H42B), C43(H43A,H43B), C48(H48A,H48B), C51(H51A,
 H51B), C55(H55A,H55B), C63(H63A,H63B), C66(H66A,H66B), C68(H68A,H68B),
 C70(H70A,H70B)
6.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12), C13(H13),
 C14(H14), C17(H17), C18(H18), C21(H21), C22(H22), C23(H23), C25(H25), C27(H27),
  C30(H30), C32(H32), C74(H74), C75(H75), C76(H76), C77(H77), C78(H78),
 C53(H53), C60(H60)
6.d Fitted hexagon refined as free rotating group:
 C4(C5,C6,C7,C8,C9)
6.e Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C26(H26A,H26B,H26C), C29(H29A,H29C,H29B), C31(H31B,H31C,
 H31A), C71(H71A,H71B,H71C)
;
_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
Ag1 Ag 0.14363(10) 0.41139(9) 0.29013(5) 0.0544(4) Uani 1 1 d . . . . .
Ag2 Ag 0.01604(10) 0.50447(8) 0.35494(5) 0.0556(4) Uani 1 1 d . . . . .
Ag3 Ag 0.14156(11) 0.60698(9) 0.29180(5) 0.0630(4) Uani 1 1 d . . . . .
Ag4 Ag 0.15880(10) 0.38837(10) 0.17932(5) 0.0593(4) Uani 1 1 d . . . . .
Ag5 Ag 0.16947(10) 0.63278(10) 0.17596(6) 0.0669(5) Uani 1 1 d . . . . .
Ag6 Ag 0.0000 0.72856(15) 0.2500 0.0659(6) Uani 1 2 d S T P A .
Ag7 Ag 0.0000 0.28970(18) 0.2500 0.0828(8) Uani 1 2 d S T P . .
C1 C 0.0694(13) 0.1338(11) 0.3254(7) 0.056(5) Uani 1 1 d . . . . .
H1 H 0.1117 0.1632 0.3082 0.067 Uiso 1 1 calc R . . . .
C2 C 0.0527(14) 0.2740(12) 0.3729(7) 0.056(4) Uani 1 1 d . . . . .
H2A H 0.1178 0.2815 0.3769 0.067 Uiso 1 1 calc R . . . .
H2B H 0.0264 0.2898 0.4018 0.067 Uiso 1 1 calc R . . . .
C3 C 0.062(3) 0.725(3) 0.3776(16) 0.053(4) Uani 0.561(17) 1 d . U . A 1
H3A H 0.1131 0.6899 0.3902 0.063 Uiso 0.561(17) 1 calc R . . A 1
H3B H 0.0870 0.7788 0.3650 0.063 Uiso 0.561(17) 1 calc R . . A 1
C4 C 0.0079(16) 0.7470(14) 0.4129(7) 0.054(3) Uani 0.561(17) 1 d . U . A 1
C5 C -0.0508(16) 0.8171(13) 0.4202(7) 0.056(4) Uani 0.561(17) 1 d G U . A 1
H5 H -0.0608 0.8602 0.3976 0.067 Uiso 0.561(17) 1 calc R . . A 1
C6 C -0.0944(15) 0.8229(13) 0.4614(8) 0.059(4) Uani 0.561(17) 1 d G U . A 1
H6 H -0.1337 0.8698 0.4663 0.071 Uiso 0.561(17) 1 calc R . . A 1
C7 C -0.0795(16) 0.7585(14) 0.4953(6) 0.060(4) Uani 0.561(17) 1 d G U . A 1
H7 H -0.1087 0.7623 0.5228 0.072 Uiso 0.561(17) 1 calc R . . A 1
C8 C -0.0208(16) 0.6883(13) 0.4880(7) 0.060(4) Uani 0.561(17) 1 d G U . A 1
H8 H -0.0108 0.6453 0.5106 0.072 Uiso 0.561(17) 1 calc R . . A 1
C9 C 0.0229(15) 0.6826(13) 0.4468(8) 0.057(4) Uani 0.561(17) 1 d G U . A 1
H9 H 0.0622 0.6357 0.4419 0.069 Uiso 0.561(17) 1 calc R . . A 1
C10 C -0.0312(14) 0.1302(14) 0.3872(7) 0.062(5) Uani 1 1 d . . . . .
H10 H -0.0576 0.1578 0.4118 0.074 Uiso 1 1 calc R . . . .
C11 C 0.0313(13) 0.1780(12) 0.3617(6) 0.051(4) Uani 1 1 d . . . . .
C12 C 0.3310(12) 0.7275(12) 0.0567(7) 0.055(4) Uani 1 1 d . U . . .
H12 H 0.3575 0.6994 0.0322 0.067 Uiso 1 1 calc R . . . .
C13 C -0.0167(18) 0.0050(12) 0.3390(10) 0.079(7) Uani 1 1 d . . . . .
H13 H -0.0345 -0.0521 0.3303 0.095 Uiso 1 1 calc R . . . .
C14 C -0.0536(16) 0.0458(15) 0.3769(10) 0.080(7) Uani 1 1 d . . . . .
H14 H -0.0933 0.0149 0.3949 0.096 Uiso 1 1 calc R . . . .
C15 C 0.3707(19) 0.8674(15) 0.0244(7) 0.080(7) Uani 1 1 d . . . . .
H15A H 0.3249 0.9056 0.0097 0.096 Uiso 1 1 calc R . . . .
H15B H 0.3939 0.8289 0.0009 0.096 Uiso 1 1 calc R . . . .
C16 C 0.3291(14) 0.5036(14) 0.2502(8) 0.065(6) Uani 1 1 d . . . . .
H16A H 0.3420 0.5400 0.2773 0.078 Uiso 1 1 calc R . . . .
H16B H 0.3434 0.4426 0.2583 0.078 Uiso 1 1 calc R . . . .
C17 C 0.2858(16) 0.8534(15) 0.0927(7) 0.068(5) Uani 1 1 d . U . . .
H17 H 0.2817 0.9150 0.0935 0.082 Uiso 1 1 calc R . . . .
C18 C 0.0468(17) 0.0501(14) 0.3145(9) 0.081(7) Uani 1 1 d . . . . .
H18 H 0.0738 0.0220 0.2902 0.097 Uiso 1 1 calc R . . . .
C19 C 0.3883(18) 0.5331(16) 0.2122(10) 0.089(5) Uani 1 1 d . U . . .
C20 C 0.2068(19) 0.1292(17) 0.2161(9) 0.090(8) Uani 1 1 d . . . . .
H20A H 0.1484 0.1458 0.2028 0.135 Uiso 1 1 calc GR . . . .
H20B H 0.1993 0.0932 0.2430 0.135 Uiso 1 1 calc GR . . . .
H20C H 0.2392 0.0962 0.1940 0.135 Uiso 1 1 calc GR . . . .
C21 C 0.2455(17) 0.8024(14) 0.1259(7) 0.073(6) Uani 1 1 d . . . . .
H21 H 0.2174 0.8303 0.1499 0.087 Uiso 1 1 calc R . . . .
C22 C 0.4129(17) 0.6196(16) 0.2092(10) 0.090(5) Uani 1 1 d . U . . .
H22 H 0.3945 0.6609 0.2307 0.108 Uiso 1 1 calc R . . . .
C23 C 0.2912(13) 0.6779(13) 0.0910(7) 0.062(5) Uani 1 1 d . U . . .
H23 H 0.2967 0.6164 0.0906 0.075 Uiso 1 1 calc R . . . .
C24 C 0.4476(17) 0.9239(16) 0.0455(8) 0.075(6) Uani 1 1 d . U . . .
H24A H 0.4803 0.8874 0.0683 0.089 Uiso 0.5 1 calc R . . B 1
H24B H 0.4200 0.9717 0.0622 0.089 Uiso 0.5 1 calc R . . B 1
H24C H 0.4975 0.8895 0.0592 0.089 Uiso 0.5 1 calc R . . B 2
H24D H 0.4278 0.9685 0.0669 0.089 Uiso 0.5 1 calc R . . B 2
C25 C 0.4681(19) 0.6460(18) 0.1722(11) 0.097(5) Uani 1 1 d . U . . .
H25 H 0.4840 0.7051 0.1681 0.117 Uiso 1 1 calc R . . . .
C26 C 0.297(4) 0.898(4) 0.244(2) 0.079(12) Uani 0.43(3) 1 d D U . C 1
H26A H 0.3543 0.8684 0.2437 0.119 Uiso 0.43(3) 1 calc GR . . C 1
H26B H 0.3006 0.9458 0.2658 0.119 Uiso 0.43(3) 1 calc GR . . C 1
H26C H 0.2822 0.9222 0.2136 0.119 Uiso 0.43(3) 1 calc GR . . C 1
C27 C 0.418(2) 0.4754(19) 0.1811(11) 0.103(5) Uani 1 1 d . U . . .
H27 H 0.3973 0.4173 0.1822 0.124 Uiso 1 1 calc R . . . .
C28 C 0.521(3) 0.968(2) 0.0142(13) 0.058(8) Uani 0.5 1 d . U . D 1
H28A H 0.5689 0.9951 0.0336 0.069 Uiso 0.5 1 calc R . . D 1
H28B H 0.5482 0.9227 -0.0045 0.069 Uiso 0.5 1 calc R . . D 1
C29 C 0.312(3) 0.492(2) 0.4380(12) 0.118(11) Uani 1 1 d . U . . .
H29A H 0.2855 0.4655 0.4644 0.177 Uiso 1 1 calc GR . . . .
H29C H 0.3345 0.5496 0.4459 0.177 Uiso 1 1 calc GR . . . .
H29B H 0.3605 0.4549 0.4285 0.177 Uiso 1 1 calc GR . . . .
C30 C 0.496(2) 0.5813(19) 0.1435(12) 0.104(5) Uani 1 1 d . U . . .
H30 H 0.5309 0.5980 0.1190 0.125 Uiso 1 1 calc R . . . .
C31 C 0.0939(16) 0.4399(17) 0.0303(8) 0.120(17) Uani 0.668(18) 1 d D U . E 1
H31B H 0.0809 0.4972 0.0171 0.181 Uiso 0.668(18) 1 calc GR . . E 1
H31C H 0.0393 0.4146 0.0412 0.181 Uiso 0.668(18) 1 calc GR . . E 1
H31A H 0.1174 0.4017 0.0073 0.181 Uiso 0.668(18) 1 calc GR . . E 1
C32 C 0.477(2) 0.4957(19) 0.1482(13) 0.108(5) Uani 1 1 d . U . . .
H32 H 0.5029 0.4523 0.1301 0.129 Uiso 1 1 calc R . . . .
C33 C 0.467(3) 0.964(2) -0.0074(12) 0.058(8) Uani 0.5 1 d . U . D 2
H33A H 0.4940 0.9204 -0.0269 0.069 Uiso 0.5 1 calc R . . D 2
H33B H 0.4126 0.9883 -0.0229 0.069 Uiso 0.5 1 calc R . . D 2
C71 C 0.317(2) 0.856(3) 0.2376(14) 0.067(9) Uani 0.57(3) 1 d D U . C 2
H71A H 0.3458 0.8976 0.2590 0.101 Uiso 0.57(3) 1 calc GR . . C 2
H71B H 0.3069 0.8848 0.2082 0.101 Uiso 0.57(3) 1 calc GR . . C 2
H71C H 0.3562 0.8059 0.2342 0.101 Uiso 0.57(3) 1 calc GR . . C 2
C72 C 0.047(4) 0.739(4) 0.369(2) 0.053(4) Uani 0.439(17) 1 d . U . A 2
H72A H 0.1111 0.7259 0.3751 0.064 Uiso 0.439(17) 1 calc R . . A 2
H72B H 0.0441 0.7967 0.3538 0.064 Uiso 0.439(17) 1 calc R . . A 2
C73 C -0.001(2) 0.7460(18) 0.4176(12) 0.054(3) Uani 0.439(17) 1 d D U . A 2
C74 C -0.087(2) 0.705(2) 0.4816(11) 0.060(4) Uani 0.439(17) 1 d D U . A 2
H74 H -0.1133 0.6622 0.4994 0.072 Uiso 0.439(17) 1 calc R . . A 2
C75 C -0.094(2) 0.7945(19) 0.4940(12) 0.060(4) Uani 0.439(17) 1 d D U . A 2
H75 H -0.1252 0.8091 0.5199 0.072 Uiso 0.439(17) 1 calc R . . A 2
C76 C -0.040(2) 0.678(2) 0.4430(11) 0.058(4) Uani 0.439(17) 1 d D U . A 2
H76 H -0.0356 0.6188 0.4348 0.069 Uiso 0.439(17) 1 calc R . . A 2
C77 C -0.009(2) 0.835(2) 0.4302(12) 0.057(4) Uani 0.439(17) 1 d D U . A 2
H77 H 0.0180 0.8783 0.4123 0.068 Uiso 0.439(17) 1 calc R . . A 2
C78 C -0.055(2) 0.862(2) 0.4687(11) 0.058(4) Uani 0.439(17) 1 d D U . A 2
H78 H -0.0597 0.9218 0.4769 0.070 Uiso 0.439(17) 1 calc R . . A 2
N1 N 0.3302(12) 0.8137(10) 0.0597(6) 0.062(4) Uani 1 1 d . U . . .
N2 N 0.2467(9) 0.7151(10) 0.1237(6) 0.056(4) Uani 1 1 d . U . . .
O1 O 0.2701(9) 0.2811(8) 0.1915(4) 0.058(3) Uani 1 1 d . . . . .
O2 O 0.2456(13) 0.4280(12) 0.3594(6) 0.088(5) Uani 1 1 d . . . . .
O3 O 0.2180(12) 0.2654(8) 0.2687(4) 0.074(5) Uani 1 1 d . . . . .
O4 O 0.3566(12) 0.1957(12) 0.2480(6) 0.086(5) Uani 1 1 d . . . . .
O5 O 0.1402(14) 0.4935(10) 0.4133(6) 0.082(5) Uani 1 1 d . . . . .
O6 O 0.139(4) 0.816(4) 0.220(3) 0.065(10) Uani 0.43(3) 1 d . U . C 1
O7 O 0.2402(13) 0.5883(14) 0.3697(7) 0.102(6) Uani 1 1 d . . . . .
O8 O 0.235(3) 0.740(3) 0.2624(17) 0.075(7) Uani 0.43(3) 1 d . U . C 1
O9 O 0.1366(15) 0.5184(12) 0.1046(7) 0.069(5) Uani 0.668(18) 1 d D U . E 1
O10 O 0.2554(13) 0.4760(15) 0.0552(9) 0.080(5) Uani 0.668(18) 1 d D U . E 1
O11 O 0.173(3) 0.856(3) 0.2984(13) 0.069(7) Uani 0.43(3) 1 d . U . C 1
O12 O 0.1767(19) 0.3652(11) 0.0975(7) 0.067(6) Uani 0.668(18) 1 d D U . E 1
O28 O 0.181(2) 0.905(2) 0.2804(12) 0.090(8) Uani 0.57(3) 1 d . U . C 2
O29 O 0.2397(19) 0.7465(19) 0.2916(11) 0.070(6) Uani 0.57(3) 1 d . U . C 2
O30 O 0.160(3) 0.795(3) 0.220(2) 0.065(8) Uani 0.57(3) 1 d . U . C 2
S1 S 0.0039(3) 0.6600(3) 0.32880(14) 0.0432(9) Uani 1 1 d . . . . .
S2 S 0.2684(3) 0.2254(3) 0.23204(15) 0.0531(11) Uani 1 1 d . . . . .
S3 S 0.2098(3) 0.5118(2) 0.23334(15) 0.0452(9) Uani 1 1 d . . . . .
S4 S 0.0084(3) 0.3476(3) 0.32734(14) 0.0474(9) Uani 1 1 d . . . . .
S5 S 0.2091(4) 0.8198(3) 0.25914(17) 0.0637(13) Uani 1 1 d D . . . .
S6 S 0.1714(9) 0.4505(7) 0.0749(5) 0.056(3) Uani 0.668(18) 1 d D U . E 1
S7 S 0.2275(5) 0.5004(4) 0.3919(2) 0.0776(16) Uani 1 1 d . . . . .
C34 C 0.5504(18) 0.270(2) 0.0794(9) 0.046(6) Uani 0.657(8) 1 d D U . F 1
C35 C 0.414(2) 0.073(3) -0.1482(13) 0.064(7) Uani 0.657(8) 1 d D U . F 1
C36 C 0.4073(19) 0.3263(18) 0.0383(9) 0.055(5) Uani 0.657(8) 1 d D U . F 1
H36A H 0.4515 0.3590 0.0214 0.065 Uiso 0.657(8) 1 calc R . . F 1
H36B H 0.3668 0.3691 0.0512 0.065 Uiso 0.657(8) 1 calc R . . F 1
C37 C 0.2308(19) 0.0847(15) 0.0191(11) 0.054(5) Uani 0.657(8) 1 d D U . F 1
C38 C 0.421(2) 0.2436(19) 0.1205(12) 0.053(5) Uani 0.657(8) 1 d D U . F 1
H38 H 0.3916 0.2903 0.1378 0.063 Uiso 0.657(8) 1 calc R . . F 1
C39 C 0.3857(17) 0.257(2) -0.0369(8) 0.061(5) Uani 0.657(8) 1 d D U . F 1
C40 C 0.326(2) 0.1970(15) -0.1101(8) 0.064(5) Uani 0.657(8) 1 d D U . F 1
H40A H 0.3745 0.2333 -0.1209 0.077 Uiso 0.657(8) 1 calc R . . F 1
H40B H 0.2693 0.2182 -0.1247 0.077 Uiso 0.657(8) 1 calc R . . F 1
C41 C 0.390(2) 0.1012(15) 0.1365(11) 0.051(5) Uani 0.657(8) 1 d D U . F 1
C42 C 0.6722(16) 0.2031(15) 0.1303(10) 0.057(5) Uani 0.657(8) 1 d D U . F 1
H42A H 0.6844 0.2120 0.1632 0.068 Uiso 0.657(8) 1 calc R . . F 1
H42B H 0.7122 0.2419 0.1142 0.068 Uiso 0.657(8) 1 calc R . . F 1
C43 C 0.5303(17) 0.0586(18) 0.1852(9) 0.061(5) Uani 0.657(8) 1 d D U . F 1
H43A H 0.5597 0.0932 0.2098 0.074 Uiso 0.657(8) 1 calc R . . F 1
H43B H 0.4888 0.0174 0.1987 0.074 Uiso 0.657(8) 1 calc R . . F 1
C44 C 0.744(2) 0.095(2) 0.0854(9) 0.062(5) Uani 0.657(8) 1 d D U . F 1
C45 C 0.269(2) 0.2354(19) 0.0112(12) 0.059(4) Uani 0.657(8) 1 d . U . F 1
H45 H 0.2277 0.2837 0.0181 0.071 Uiso 0.657(8) 1 calc R . . F 1
C46 C 0.6878(16) 0.042(2) 0.1536(9) 0.061(4) Uani 0.657(8) 1 d D U . F 1
H46 H 0.7201 0.0583 0.1827 0.073 Uiso 0.657(8) 1 calc R . . F 1
C47 C 0.734(2) -0.038(2) 0.1295(9) 0.064(4) Uani 0.657(8) 1 d D U . F 1
H47 H 0.7865 -0.0607 0.1477 0.076 Uiso 0.657(8) 1 calc R . . F 1
C48 C 0.2688(18) 0.1694(19) 0.0931(8) 0.056(5) Uani 0.657(8) 1 d D U . F 1
H48A H 0.2370 0.1186 0.1049 0.067 Uiso 0.657(8) 1 calc R . . F 1
H48B H 0.2392 0.2225 0.1038 0.067 Uiso 0.657(8) 1 calc R . . F 1
C49 C 0.502(2) 0.2101(15) 0.1460(10) 0.053(5) Uani 0.657(8) 1 d D U . F 1
H49 H 0.5095 0.2405 0.1759 0.063 Uiso 0.657(8) 1 calc R . . F 1
C50 C 0.239(2) 0.194(2) -0.0340(13) 0.062(4) Uani 0.657(8) 1 d . U . F 1
H50 H 0.1867 0.2242 -0.0486 0.074 Uiso 0.657(8) 1 calc R . . F 1
C51 C 0.8241(18) -0.038(2) 0.0567(11) 0.065(6) Uani 0.657(8) 1 d D U . F 1
H51A H 0.8714 -0.0671 0.0759 0.078 Uiso 0.657(8) 1 calc R . . F 1
H51B H 0.8520 0.0080 0.0392 0.078 Uiso 0.657(8) 1 calc R . . F 1
N3 N 0.454(2) 0.279(2) 0.0756(9) 0.060(5) Uani 0.657(8) 1 d D U . F 1
N4 N 0.3556(18) 0.2703(18) 0.0063(8) 0.058(5) Uani 0.657(8) 1 d D U . F 1
N5 N 0.221(3) 0.1076(19) -0.0231(14) 0.060(5) Uani 0.657(8) 1 d . U . F 1
N6 N 0.261(2) 0.1675(19) 0.0435(8) 0.060(5) Uani 0.657(8) 1 d D U . F 1
N7 N 0.3399(18) 0.1058(13) -0.1231(8) 0.053(5) Uani 0.657(8) 1 d D U . F 1
N8 N 0.5972(14) 0.0104(16) 0.1606(8) 0.059(5) Uani 0.657(8) 1 d D U . F 1
N9 N 0.758(2) 0.0002(18) 0.0858(9) 0.066(6) Uani 0.657(8) 1 d D U . F 1
N10 N 0.5795(16) 0.2275(17) 0.1184(9) 0.057(5) Uani 0.657(8) 1 d D U . F 1
N11 N 0.6924(18) 0.1121(14) 0.1191(9) 0.059(5) Uani 0.657(8) 1 d D U . F 1
N12 N 0.3609(15) 0.1682(16) 0.1122(9) 0.059(5) Uani 0.657(8) 1 d D U . F 1
N13 N 0.4811(16) 0.1166(13) 0.1531(8) 0.058(5) Uani 0.657(8) 1 d D U . F 1
N14 N 0.3225(18) 0.2062(17) -0.0607(8) 0.057(5) Uani 0.657(8) 1 d D U . F 1
O13 O 0.6000(16) 0.296(2) 0.0491(10) 0.046(6) Uani 0.657(8) 1 d D U . F 1
O14 O 0.4593(18) 0.282(2) -0.0503(11) 0.064(8) Uani 0.657(8) 1 d D U . F 1
O15 O 0.7671(15) 0.1426(15) 0.0533(8) 0.067(6) Uani 0.657(8) 1 d D U . F 1
O16 O 0.4789(16) 0.1229(16) -0.1551(7) 0.066(6) Uani 0.657(8) 1 d D U . F 1
O17 O 0.2164(15) 0.0168(13) 0.0415(9) 0.066(6) Uani 0.657(8) 1 d D U . F 1
O18 O 0.3505(15) 0.0294(12) 0.1404(8) 0.059(5) Uani 0.657(8) 1 d D U . F 1
C52 C 0.514(4) 0.274(5) 0.071(2) 0.050(6) Uani 0.343(8) 1 d D U . F 2
C53 C 0.380(5) 0.321(5) 0.019(2) 0.058(6) Uani 0.343(8) 1 d . U . F 2
H53 H 0.3710 0.3819 0.0157 0.070 Uiso 0.343(8) 1 calc R . . F 2
C54 C 0.378(4) 0.257(4) 0.101(2) 0.051(6) Uani 0.343(8) 1 d . U . F 2
H54 H 0.3421 0.3060 0.1121 0.061 Uiso 0.343(8) 1 calc R . . F 2
C55 C 0.628(4) 0.228(4) 0.1380(19) 0.052(5) Uani 0.343(8) 1 d . U . F 2
H55A H 0.6714 0.2652 0.1231 0.063 Uiso 0.343(8) 1 calc R . . F 2
H55B H 0.6285 0.2434 0.1705 0.063 Uiso 0.343(8) 1 calc R . . F 2
C56 C 0.455(5) 0.229(4) 0.141(2) 0.052(6) Uani 0.343(8) 1 d . U . F 2
H56 H 0.4547 0.2654 0.1685 0.062 Uiso 0.343(8) 1 calc R . . F 2
C57 C 0.401(3) 0.241(4) -0.0501(15) 0.061(7) Uani 0.343(8) 1 d D U . F 2
C58 C 0.260(4) 0.232(4) -0.020(3) 0.060(4) Uani 0.343(8) 1 d . U . F 2
H58 H 0.2135 0.2783 -0.0205 0.072 Uiso 0.343(8) 1 calc R . . F 2
C59 C 0.340(4) 0.108(3) 0.115(2) 0.054(5) Uani 0.343(8) 1 d D U . F 2
C60 C 0.235(4) 0.177(4) 0.062(2) 0.056(5) Uani 0.343(8) 1 d . U . F 2
H60 H 0.1795 0.1989 0.0714 0.067 Uiso 0.343(8) 1 calc R . . F 2
C61 C 0.712(5) 0.108(5) 0.104(2) 0.059(5) Uani 0.343(8) 1 d D U . F 2
C62 C 0.627(4) 0.066(4) 0.1666(19) 0.061(5) Uani 0.343(8) 1 d . U . F 2
H62 H 0.6481 0.0843 0.1977 0.073 Uiso 0.343(8) 1 calc R . . F 2
C63 C 0.464(3) 0.081(3) 0.1799(16) 0.057(5) Uani 0.343(8) 1 d D U . F 2
H63A H 0.4202 0.0431 0.1940 0.068 Uiso 0.343(8) 1 calc R . . F 2
H63B H 0.4887 0.1201 0.2039 0.068 Uiso 0.343(8) 1 calc R . . F 2
C64 C 0.260(4) 0.183(4) -0.062(2) 0.063(5) Uani 0.343(8) 1 d . U . F 2
H64 H 0.2157 0.2103 -0.0847 0.076 Uiso 0.343(8) 1 calc R . . F 2
C65 C 0.685(4) -0.018(5) 0.148(2) 0.062(5) Uani 0.343(8) 1 d . U . F 2
H65 H 0.7301 -0.0372 0.1715 0.074 Uiso 0.343(8) 1 calc R . . F 2
C66 C 0.364(5) 0.177(4) -0.127(2) 0.066(6) Uani 0.343(8) 1 d . U . F 2
H66A H 0.3121 0.1964 -0.1462 0.080 Uiso 0.343(8) 1 calc R . . F 2
H66B H 0.4148 0.2147 -0.1343 0.080 Uiso 0.343(8) 1 calc R . . F 2
C67 C 0.221(6) 0.084(5) -0.016(3) 0.058(5) Uani 0.343(8) 1 d D U . F 2
C68 C 0.803(5) -0.020(5) 0.082(2) 0.063(5) Uani 0.343(8) 1 d . U . F 2
H68A H 0.8230 0.0283 0.0628 0.076 Uiso 0.343(8) 1 calc R . . F 2
H68B H 0.8531 -0.0395 0.1019 0.076 Uiso 0.343(8) 1 calc R . . F 2
C69 C 0.467(4) 0.058(4) -0.153(2) 0.064(8) Uani 0.343(8) 1 d D U . F 2
N15 N 0.415(3) 0.136(3) 0.1464(15) 0.059(5) Uani 0.343(8) 1 d D U . F 2
N16 N 0.423(4) 0.286(4) 0.061(2) 0.060(6) Uani 0.343(8) 1 d . U . F 2
N17 N 0.532(4) 0.239(3) 0.1148(19) 0.059(5) Uani 0.343(8) 1 d . U . F 2
N18 N 0.355(4) 0.269(4) -0.0131(18) 0.056(5) Uani 0.343(8) 1 d D U . F 2
N19 N 0.316(4) 0.177(3) 0.0906(19) 0.059(5) Uani 0.343(8) 1 d . U . F 2
N20 N 0.649(3) 0.133(3) 0.1317(17) 0.058(5) Uani 0.343(8) 1 d . U . F 2
N21 N 0.345(3) 0.192(3) -0.0787(18) 0.055(5) Uani 0.343(8) 1 d D U . F 2
N22 N 0.245(4) 0.148(4) 0.026(2) 0.060(6) Uani 0.343(8) 1 d . U . F 2
N23 N 0.726(3) 0.011(4) 0.110(2) 0.064(6) Uani 0.343(8) 1 d . U . F 2
N24 N 0.537(3) 0.025(3) 0.1664(17) 0.059(5) Uani 0.343(8) 1 d D U . F 2
N25 N 0.230(3) 0.096(3) -0.051(2) 0.061(7) Uani 0.343(8) 1 d . U . F 2
N26 N 0.386(4) 0.086(3) -0.1399(19) 0.049(7) Uani 0.343(8) 1 d . U . F 2
O19 O 0.573(3) 0.296(5) 0.044(2) 0.043(9) Uani 0.343(8) 1 d D U . F 2
O20 O 0.474(3) 0.272(4) -0.0614(17) 0.052(14) Uani 0.343(8) 1 d D U . F 2
O21 O 0.300(3) 0.037(2) 0.1200(16) 0.061(8) Uani 0.343(8) 1 d D U . F 2
O22 O 0.748(3) 0.156(2) 0.0758(15) 0.056(8) Uani 0.343(8) 1 d D U . F 2
O23 O 0.202(3) 0.023(3) 0.0103(16) 0.067(9) Uani 0.343(8) 1 d D U . F 2
O24 O 0.532(4) 0.108(4) -0.1461(16) 0.075(10) Uani 0.343(8) 1 d D U . F 2
C70 C 0.039(2) 0.494(4) 0.0633(19) 0.121(19) Uani 0.332(18) 1 d D U . E 2
H70A H 0.0030 0.4511 0.0451 0.145 Uiso 0.332(18) 1 calc R . . E 2
H70B H 0.0359 0.5508 0.0480 0.145 Uiso 0.332(18) 1 calc R . . E 2
O25 O 0.193(4) 0.464(4) 0.0287(13) 0.087(7) Uani 0.332(18) 1 d D U . E 2
O26 O 0.191(3) 0.503(3) 0.1111(13) 0.075(6) Uani 0.332(18) 1 d D U . E 2
O27 O 0.150(4) 0.3636(16) 0.0777(16) 0.065(8) Uani 0.332(18) 1 d D U . E 2
S8 S 0.1475(16) 0.4588(15) 0.0715(8) 0.049(6) Uani 0.332(18) 1 d D U . E 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag2 3.0702(18) . ?
Ag1 Ag3 2.9470(19) . ?
Ag1 Ag4 3.2522(19) . ?
Ag1 Ag7 2.994(2) . ?
Ag1 O2 2.460(19) . ?
Ag1 O3 2.550(12) . ?
Ag1 S3 2.475(4) . ?
Ag1 S4 2.511(4) . ?
Ag2 Ag3 3.0878(18) . ?
Ag2 Ag4 3.233(2) 2 ?
Ag2 O5 2.436(19) . ?
Ag2 S1 2.466(4) . ?
Ag2 S4 2.496(4) . ?
Ag2 C70 2.55(5) 2 ?
Ag3 Ag6 2.990(2) . ?
Ag3 O29 2.55(3) . ?
Ag3 S1 2.481(4) . ?
Ag3 S3 2.475(4) . ?
Ag4 Ag2 3.233(2) 2 ?
Ag4 O1 2.320(12) . ?
Ag4 O12 2.43(2) . ?
Ag4 S3 2.521(5) . ?
Ag4 S4 2.544(5) 2 ?
Ag5 N2 2.305(13) . ?
Ag5 S1 2.591(4) 2 ?
Ag5 S3 2.519(4) . ?
Ag6 Ag3 2.990(2) 2 ?
Ag6 S1 2.506(4) 2 ?
Ag6 S1 2.507(4) . ?
Ag7 Ag1 2.994(2) 2 ?
Ag7 S4 2.404(4) . ?
Ag7 S4 2.404(4) 2 ?
C1 C11 1.39(2) . ?
C1 C18 1.34(3) . ?
C2 C11 1.51(3) . ?
C2 S4 1.820(19) . ?
C3 C4 1.38(5) . ?
C3 S1 1.89(5) . ?
C4 C5 1.3900 . ?
C4 C9 1.3900 . ?
C5 C6 1.3900 . ?
C6 C7 1.3900 . ?
C7 C8 1.3900 . ?
C8 C9 1.3900 . ?
C10 C11 1.41(2) . ?
C10 C14 1.34(3) . ?
C12 C23 1.40(3) . ?
C12 N1 1.30(2) . ?
C13 C14 1.39(3) . ?
C13 C18 1.38(3) . ?
C15 C24 1.52(4) . ?
C15 N1 1.46(2) . ?
C16 C19 1.51(3) . ?
C16 S3 1.81(2) . ?
C17 C21 1.39(3) . ?
C17 N1 1.33(2) . ?
C19 C22 1.36(3) . ?
C19 C27 1.35(4) . ?
C20 S2 1.76(2) . ?
C21 N2 1.32(3) . ?
C22 C25 1.44(3) . ?
C23 N2 1.31(2) . ?
C24 C28 1.60(4) . ?
C24 C33 1.69(4) . ?
C25 C30 1.36(4) . ?
C26 S5 1.83(3) . ?
C27 C32 1.36(3) . ?
C28 C28 1.40(8) 3_675 ?
C29 S7 1.78(3) . ?
C30 C32 1.33(4) . ?
C31 S6 1.691(14) . ?
C33 C33 1.50(7) 3_675 ?
C71 S5 1.83(3) . ?
C72 C73 1.63(7) . ?
C72 S1 1.76(7) . ?
C73 C76 1.401(18) . ?
C73 C77 1.400(18) . ?
C74 C75 1.400(18) . ?
C74 C76 1.400(18) . ?
C75 C78 1.399(18) . ?
C77 C78 1.399(18) . ?
O1 S2 1.446(11) . ?
O2 S7 1.476(17) . ?
O3 S2 1.460(11) . ?
O4 S2 1.431(18) . ?
O5 S7 1.46(2) . ?
O6 S5 1.49(8) . ?
O7 S7 1.49(2) . ?
O8 S5 1.27(4) . ?
O9 S6 1.449(12) . ?
O10 S6 1.445(12) . ?
O11 S5 1.39(4) . ?
O12 S6 1.443(12) . ?
O28 S5 1.49(3) . ?
O29 S5 1.50(2) . ?
O30 S5 1.37(6) . ?
S1 Ag5 2.591(4) 2 ?
S4 Ag4 2.544(5) 2 ?
C34 N3 1.43(4) . ?
C34 N10 1.35(4) . ?
C34 O13 1.236(14) . ?
C35 N7 1.44(4) . ?
C35 N8 1.32(4) 3_655 ?
C35 O16 1.234(15) . ?
C36 N3 1.443(12) . ?
C36 N4 1.443(12) . ?
C37 N5 1.27(5) . ?
C37 N6 1.49(4) . ?
C37 O17 1.236(14) . ?
C38 C49 1.46(5) . ?
C38 N3 1.51(4) . ?
C38 N12 1.46(2) . ?
C39 N4 1.366(19) . ?
C39 N14 1.365(19) . ?
C39 O14 1.237(14) . ?
C40 N7 1.442(12) . ?
C40 N14 1.442(12) . ?
C41 N12 1.29(4) . ?
C41 N13 1.43(4) . ?
C41 O18 1.237(14) . ?
C42 N10 1.444(12) . ?
C42 N11 1.444(12) . ?
C43 N8 1.444(12) . ?
C43 N13 1.445(12) . ?
C44 N9 1.44(4) . ?
C44 N11 1.30(4) . ?
C44 O15 1.236(15) . ?
C45 C50 1.50(5) . ?
C45 N4 1.39(4) . ?
C45 N6 1.40(4) . ?
C46 C47 1.57(5) . ?
C46 N8 1.445(12) . ?
C46 N11 1.46(2) . ?
C47 N7 1.50(4) 3_655 ?
C47 N9 1.46(2) . ?
C48 N6 1.439(12) . ?
C48 N12 1.442(12) . ?
C49 N10 1.46(3) . ?
C49 N13 1.46(2) . ?
C50 N5 1.37(4) . ?
C50 N14 1.50(4) . ?
C51 N5 1.55(5) 3_655 ?
C51 N9 1.441(12) . ?
N5 C51 1.55(5) 3_655 ?
N7 C47 1.50(4) 3_655 ?
N8 C35 1.32(4) 3_655 ?
C52 N16 1.38(8) . ?
C52 N17 1.39(9) . ?
C52 O19 1.236(15) . ?
C53 N16 1.43(9) . ?
C53 N18 1.26(9) . ?
C54 C56 1.63(10) . ?
C54 N16 1.44(7) . ?
C54 N19 1.53(7) . ?
C55 N17 1.55(9) . ?
C55 N20 1.49(8) . ?
C56 N15 1.53(7) . ?
C56 N17 1.41(7) . ?
C57 N18 1.37(2) . ?
C57 N21 1.36(2) . ?
C57 O20 1.236(15) . ?
C58 C64 1.43(10) . ?
C58 N18 1.52(9) . ?
C58 N22 1.87(9) . ?
C59 N15 1.46(8) . ?
C59 N19 1.30(8) . ?
C59 O21 1.237(15) . ?
C60 N19 1.42(9) . ?
C60 N22 1.16(8) . ?
C61 N20 1.31(8) . ?
C61 N23 1.49(9) . ?
C61 O22 1.235(15) . ?
C62 C65 1.64(10) . ?
C62 N20 1.47(7) . ?
C62 N24 1.46(7) . ?
C63 N15 1.445(13) . ?
C63 N24 1.445(13) . ?
C64 N21 1.37(7) . ?
C64 N25 1.44(8) . ?
C65 N23 1.35(8) . ?
C65 N26 1.48(8) 3_655 ?
C66 N21 1.46(8) . ?
C66 N26 1.46(8) . ?
C67 N22 1.59(12) . ?
C67 N25 1.05(10) . ?
C67 O23 1.236(15) . ?
C68 N23 1.51(9) . ?
C68 N25 1.50(8) 3_655 ?
C69 N24 1.30(7) 3_655 ?
C69 N26 1.34(8) . ?
C69 O24 1.237(15) . ?
N24 C69 1.30(7) 3_655 ?
N25 C68 1.50(8) 3_655 ?
N26 C65 1.48(8) 3_655 ?
C70 Ag2 2.55(5) 2 ?
C70 S8 1.693(10) . ?
O25 S8 1.447(13) . ?
O26 S8 1.448(13) . ?
O27 S8 1.447(13) . ?

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 Ag1 Ag4 136.89(6) . . ?
Ag3 Ag1 Ag2 61.71(4) . . ?
Ag3 Ag1 Ag4 97.13(5) . . ?
Ag3 Ag1 Ag7 127.65(7) . . ?
Ag7 Ag1 Ag2 94.13(5) . . ?
Ag7 Ag1 Ag4 68.56(4) . . ?
O2 Ag1 Ag2 79.8(4) . . ?
O2 Ag1 Ag3 83.8(4) . . ?
O2 Ag1 Ag4 138.3(4) . . ?
O2 Ag1 Ag7 140.5(4) . . ?
O2 Ag1 O3 91.9(6) . . ?
O2 Ag1 S3 103.6(4) . . ?
O2 Ag1 S4 98.9(4) . . ?
O3 Ag1 Ag2 146.1(3) . . ?
O3 Ag1 Ag3 150.6(3) . . ?
O3 Ag1 Ag4 67.3(3) . . ?
O3 Ag1 Ag7 71.5(4) . . ?
S3 Ag1 Ag2 113.90(10) . . ?
S3 Ag1 Ag3 53.47(9) . . ?
S3 Ag1 Ag4 50.01(11) . . ?
S3 Ag1 Ag7 114.34(12) . . ?
S3 Ag1 O3 100.0(3) . . ?
S3 Ag1 S4 150.56(16) . . ?
S4 Ag1 Ag2 51.96(10) . . ?
S4 Ag1 Ag3 111.49(10) . . ?
S4 Ag1 Ag4 118.78(12) . . ?
S4 Ag1 Ag7 50.87(10) . . ?
S4 Ag1 O3 97.9(3) . . ?
Ag1 Ag2 Ag3 57.18(4) . . ?
Ag1 Ag2 Ag4 94.08(5) . 2 ?
Ag3 Ag2 Ag4 125.68(7) . 2 ?
O5 Ag2 Ag1 86.0(4) . . ?
O5 Ag2 Ag3 89.5(4) . . ?
O5 Ag2 Ag4 137.5(4) . 2 ?
O5 Ag2 S1 108.5(4) . . ?
O5 Ag2 S4 100.3(4) . . ?
O5 Ag2 C70 67.3(9) . 2 ?
S1 Ag2 Ag1 106.42(9) . . ?
S1 Ag2 Ag3 51.60(9) . . ?
S1 Ag2 Ag4 112.04(12) . 2 ?
S1 Ag2 S4 143.09(15) . . ?
S1 Ag2 C70 109.0(12) . 2 ?
S4 Ag2 Ag1 52.41(9) . . ?
S4 Ag2 Ag3 107.56(10) . . ?
S4 Ag2 Ag4 50.75(11) . 2 ?
S4 Ag2 C70 103.1(12) . 2 ?
C70 Ag2 Ag1 140.8(12) 2 . ?
C70 Ag2 Ag3 144.4(9) 2 . ?
C70 Ag2 Ag4 87.9(7) 2 2 ?
Ag1 Ag3 Ag2 61.11(4) . . ?
Ag1 Ag3 Ag6 127.85(8) . . ?
Ag6 Ag3 Ag2 96.76(5) . . ?
O29 Ag3 Ag1 144.7(7) . . ?
O29 Ag3 Ag2 140.5(8) . . ?
O29 Ag3 Ag6 83.1(6) . . ?
S1 Ag3 Ag1 109.77(10) . . ?
S1 Ag3 Ag2 51.16(10) . . ?
S1 Ag3 Ag6 53.57(10) . . ?
S1 Ag3 O29 102.4(8) . . ?
S3 Ag3 Ag1 53.45(9) . . ?
S3 Ag3 Ag2 113.29(10) . . ?
S3 Ag3 Ag6 112.25(12) . . ?
S3 Ag3 O29 102.9(8) . . ?
S3 Ag3 S1 148.79(16) . . ?
Ag2 Ag4 Ag1 98.69(5) 2 . ?
O1 Ag4 Ag1 90.5(3) . . ?
O1 Ag4 Ag2 166.5(4) . 2 ?
O1 Ag4 O12 86.3(6) . . ?
O1 Ag4 S3 103.4(4) . . ?
O1 Ag4 S4 121.5(4) . 2 ?
O12 Ag4 Ag1 176.8(5) . . ?
O12 Ag4 Ag2 84.4(5) . 2 ?
O12 Ag4 S3 132.0(5) . . ?
O12 Ag4 S4 92.6(7) . 2 ?
S3 Ag4 Ag1 48.76(9) . . ?
S3 Ag4 Ag2 90.02(11) . 2 ?
S3 Ag4 S4 118.88(13) . 2 ?
S4 Ag4 Ag1 89.09(10) 2 . ?
S4 Ag4 Ag2 49.44(10) 2 2 ?
N2 Ag5 S1 113.7(4) . 2 ?
N2 Ag5 S3 135.7(4) . . ?
S3 Ag5 S1 110.41(13) . 2 ?
Ag3 Ag6 Ag3 104.43(9) . 2 ?
S1 Ag6 Ag3 95.72(11) 2 . ?
S1 Ag6 Ag3 95.72(11) . 2 ?
S1 Ag6 Ag3 52.78(9) . . ?
S1 Ag6 Ag3 52.78(9) 2 2 ?
S1 Ag6 S1 131.30(19) 2 . ?
Ag1 Ag7 Ag1 104.49(10) . 2 ?
S4 Ag7 Ag1 54.12(10) 2 2 ?
S4 Ag7 Ag1 98.16(12) 2 . ?
S4 Ag7 Ag1 54.12(10) . . ?
S4 Ag7 Ag1 98.16(12) . 2 ?
S4 Ag7 S4 137.5(2) 2 . ?
C18 C1 C11 121.5(16) . . ?
C11 C2 S4 111.3(13) . . ?
C4 C3 S1 115(3) . . ?
C3 C4 C5 134(2) . . ?
C3 C4 C9 106(2) . . ?
C5 C4 C9 120.0 . . ?
C6 C5 C4 120.0 . . ?
C5 C6 C7 120.0 . . ?
C6 C7 C8 120.0 . . ?
C7 C8 C9 120.0 . . ?
C8 C9 C4 120.0 . . ?
C14 C10 C11 121.7(19) . . ?
C1 C11 C2 122.1(15) . . ?
C1 C11 C10 117.2(18) . . ?
C10 C11 C2 120.7(16) . . ?
N1 C12 C23 118.5(17) . . ?
C18 C13 C14 119(2) . . ?
C10 C14 C13 119.4(19) . . ?
N1 C15 C24 110.6(19) . . ?
C19 C16 S3 112.2(19) . . ?
N1 C17 C21 120(2) . . ?
C1 C18 C13 120.6(19) . . ?
C22 C19 C16 120(2) . . ?
C27 C19 C16 122(2) . . ?
C27 C19 C22 119(2) . . ?
N2 C21 C17 120.7(17) . . ?
C19 C22 C25 119(2) . . ?
N2 C23 C12 122.3(18) . . ?
C15 C24 C28 121(2) . . ?
C15 C24 C33 90(2) . . ?
C30 C25 C22 117(2) . . ?
C19 C27 C32 125(3) . . ?
C28 C28 C24 109(5) 3_675 . ?
C32 C30 C25 124(3) . . ?
C30 C32 C27 116(3) . . ?
C33 C33 C24 98(3) 3_675 . ?
C73 C72 S1 117(4) . . ?
C76 C73 C72 129(3) . . ?
C77 C73 C72 110(3) . . ?
C77 C73 C76 122(2) . . ?
C76 C74 C75 122(2) . . ?
C78 C75 C74 122(2) . . ?
C74 C76 C73 116(2) . . ?
C78 C77 C73 122(2) . . ?
C75 C78 C77 116(2) . . ?
C12 N1 C15 120.0(16) . . ?
C12 N1 C17 120.3(17) . . ?
C17 N1 C15 119.5(17) . . ?
C21 N2 Ag5 119.8(12) . . ?
C23 N2 Ag5 122.1(13) . . ?
C23 N2 C21 118.0(15) . . ?
S2 O1 Ag4 119.0(6) . . ?
S7 O2 Ag1 118.2(11) . . ?
S2 O3 Ag1 140.9(7) . . ?
S7 O5 Ag2 110.4(9) . . ?
S6 O12 Ag4 108.0(11) . . ?
S5 O29 Ag3 117.0(16) . . ?
Ag2 S1 Ag3 77.25(11) . . ?
Ag2 S1 Ag5 85.53(13) . 2 ?
Ag2 S1 Ag6 132.06(17) . . ?
Ag3 S1 Ag5 139.19(17) . 2 ?
Ag3 S1 Ag6 73.65(11) . . ?
Ag6 S1 Ag5 92.34(15) . 2 ?
C3 S1 Ag2 103.7(12) . . ?
C3 S1 Ag3 97.8(13) . . ?
C3 S1 Ag5 122.3(14) . 2 ?
C3 S1 Ag6 117.2(13) . . ?
C72 S1 Ag2 115.1(17) . . ?
C72 S1 Ag3 102.8(19) . . ?
C72 S1 Ag5 118.0(19) . 2 ?
C72 S1 Ag6 108.0(18) . . ?
O1 S2 C20 107.2(12) . . ?
O1 S2 O3 112.6(7) . . ?
O3 S2 C20 104.7(10) . . ?
O4 S2 C20 106.1(13) . . ?
O4 S2 O1 113.0(9) . . ?
O4 S2 O3 112.6(10) . . ?
Ag1 S3 Ag3 73.08(11) . . ?
Ag1 S3 Ag4 81.23(12) . . ?
Ag1 S3 Ag5 142.56(19) . . ?
Ag3 S3 Ag4 137.20(18) . . ?
Ag3 S3 Ag5 86.71(13) . . ?
Ag5 S3 Ag4 94.02(16) . . ?
C16 S3 Ag1 101.1(6) . . ?
C16 S3 Ag3 106.3(8) . . ?
C16 S3 Ag4 111.9(8) . . ?
C16 S3 Ag5 114.9(6) . . ?
Ag1 S4 Ag4 131.79(17) . 2 ?
Ag2 S4 Ag1 75.63(12) . . ?
Ag2 S4 Ag4 79.81(13) . 2 ?
Ag7 S4 Ag1 75.01(11) . . ?
Ag7 S4 Ag2 129.94(18) . . ?
Ag7 S4 Ag4 90.79(16) . 2 ?
C2 S4 Ag1 106.4(7) . . ?
C2 S4 Ag2 109.6(7) . . ?
C2 S4 Ag4 120.9(6) . 2 ?
C2 S4 Ag7 117.1(7) . . ?
O6 S5 C26 108(3) . . ?
O8 S5 C26 115(3) . . ?
O8 S5 O6 103(3) . . ?
O8 S5 O11 116(3) . . ?
O11 S5 C26 105(3) . . ?
O11 S5 O6 111(3) . . ?
O28 S5 C71 98.5(19) . . ?
O28 S5 O29 117.1(19) . . ?
O29 S5 C71 101.2(18) . . ?
O30 S5 C71 103(2) . . ?
O30 S5 O28 115(2) . . ?
O30 S5 O29 117(2) . . ?
O9 S6 C31 105.9(10) . . ?
O10 S6 C31 106.5(10) . . ?
O10 S6 O9 112.8(15) . . ?
O12 S6 C31 106.3(10) . . ?
O12 S6 O9 111.8(15) . . ?
O12 S6 O10 112.9(17) . . ?
O2 S7 C29 106.3(14) . . ?
O2 S7 O7 110.5(12) . . ?
O5 S7 C29 105.8(16) . . ?
O5 S7 O2 114.3(11) . . ?
O5 S7 O7 112.3(11) . . ?
O7 S7 C29 106.9(15) . . ?
N10 C34 N3 112(2) . . ?
O13 C34 N3 123(3) . . ?
O13 C34 N10 125(3) . . ?
N8 C35 N7 111.8(19) 3_655 . ?
O16 C35 N7 120(4) . . ?
O16 C35 N8 129(4) . 3_655 ?
N3 C36 N4 114(3) . . ?
N5 C37 N6 104(2) . . ?
O17 C37 N5 136(3) . . ?
O17 C37 N6 120(3) . . ?
C49 C38 N3 105(2) . . ?
N12 C38 C49 107(3) . . ?
N12 C38 N3 111(2) . . ?
N14 C39 N4 108(2) . . ?
O14 C39 N4 125(2) . . ?
O14 C39 N14 127(2) . . ?
N14 C40 N7 111(2) . . ?
N12 C41 N13 109.8(18) . . ?
O18 C41 N12 126(3) . . ?
O18 C41 N13 124(3) . . ?
N10 C42 N11 113(2) . . ?
N8 C43 N13 109(2) . . ?
N11 C44 N9 106.4(19) . . ?
O15 C44 N9 122(3) . . ?
O15 C44 N11 130(3) . . ?
N4 C45 C50 107(3) . . ?
N4 C45 N6 117(3) . . ?
N6 C45 C50 104(3) . . ?
N8 C46 C47 104(2) . . ?
N8 C46 N11 114(2) . . ?
N11 C46 C47 102(2) . . ?
N7 C47 C46 105(2) 3_655 . ?
N9 C47 C46 103(2) . . ?
N9 C47 N7 112(2) . 3_655 ?
N6 C48 N12 114(3) . . ?
N10 C49 C38 108(2) . . ?
N13 C49 C38 104(2) . . ?
N13 C49 N10 115(2) . . ?
N5 C50 C45 104(3) . . ?
N5 C50 N14 115(3) . . ?
N14 C50 C45 101(3) . . ?
N9 C51 N5 111(2) . 3_655 ?
C34 N3 C36 123(2) . . ?
C34 N3 C38 105(2) . . ?
C36 N3 C38 131(3) . . ?
C39 N4 C36 119(2) . . ?
C39 N4 C45 112(2) . . ?
C45 N4 C36 128(3) . . ?
C37 N5 C50 118(4) . . ?
C37 N5 C51 117(3) . 3_655 ?
C50 N5 C51 125(3) . 3_655 ?
C45 N6 C37 109(2) . . ?
C45 N6 C48 131(3) . . ?
C48 N6 C37 120(2) . . ?
C35 N7 C40 126(2) . . ?
C35 N7 C47 106(2) . 3_655 ?
C40 N7 C47 125(3) . 3_655 ?
C35 N8 C43 122(2) 3_655 . ?
C35 N8 C46 113(3) 3_655 . ?
C43 N8 C46 125(3) . . ?
C44 N9 C47 111(3) . . ?
C51 N9 C44 120(2) . . ?
C51 N9 C47 124(3) . . ?
C34 N10 C42 125(2) . . ?
C34 N10 C49 109(2) . . ?
C42 N10 C49 126(3) . . ?
C42 N11 C46 121(3) . . ?
C44 N11 C42 120(2) . . ?
C44 N11 C46 115(2) . . ?
C41 N12 C38 110(3) . . ?
C41 N12 C48 120(2) . . ?
C48 N12 C38 128(3) . . ?
C41 N13 C43 124(2) . . ?
C41 N13 C49 108(2) . . ?
C43 N13 C49 125(2) . . ?
C39 N14 C40 120(2) . . ?
C39 N14 C50 111(2) . . ?
C40 N14 C50 125(3) . . ?
N16 C52 N17 112(4) . . ?
O19 C52 N16 122(6) . . ?
O19 C52 N17 125(6) . . ?
N18 C53 N16 120(6) . . ?
N16 C54 C56 109(5) . . ?
N16 C54 N19 113(5) . . ?
N19 C54 C56 108(5) . . ?
N20 C55 N17 104(4) . . ?
N15 C56 C54 93(4) . . ?
N17 C56 C54 98(5) . . ?
N17 C56 N15 119(5) . . ?
N21 C57 N18 110(4) . . ?
O20 C57 N18 124(3) . . ?
O20 C57 N21 124(3) . . ?
C64 C58 N18 105(5) . . ?
C64 C58 N22 106(5) . . ?
N18 C58 N22 107(5) . . ?
N19 C59 N15 106(4) . . ?
O21 C59 N15 122(6) . . ?
O21 C59 N19 130(7) . . ?
N22 C60 N19 112(6) . . ?
N20 C61 N23 107(4) . . ?
O22 C61 N20 126(7) . . ?
O22 C61 N23 126(7) . . ?
N20 C62 C65 99(4) . . ?
N24 C62 C65 99(5) . . ?
N24 C62 N20 121(5) . . ?
N15 C63 N24 121(4) . . ?
C58 C64 N25 105(6) . . ?
N21 C64 C58 107(6) . . ?
N21 C64 N25 117(5) . . ?
N23 C65 C62 107(5) . . ?
N23 C65 N26 116(5) . 3_655 ?
N26 C65 C62 102(5) 3_655 . ?
N26 C66 N21 116(5) . . ?
N25 C67 N22 128(6) . . ?
N25 C67 O23 141(10) . . ?
O23 C67 N22 91(7) . . ?
N25 C68 N23 109(5) 3_655 . ?
N24 C69 N26 111(4) 3_655 . ?
O24 C69 N24 131(7) . 3_655 ?
O24 C69 N26 118(6) . . ?
C59 N15 C56 119(5) . . ?
C63 N15 C56 114(5) . . ?
C63 N15 C59 126(5) . . ?
C52 N16 C53 128(5) . . ?
C52 N16 C54 106(6) . . ?
C53 N16 C54 126(6) . . ?
C52 N17 C55 124(4) . . ?
C52 N17 C56 114(6) . . ?
C56 N17 C55 120(6) . . ?
C53 N18 C57 130(5) . . ?
C53 N18 C58 124(5) . . ?
C57 N18 C58 106(5) . . ?
C59 N19 C54 113(6) . . ?
C59 N19 C60 121(5) . . ?
C60 N19 C54 126(5) . . ?
C61 N20 C55 120(5) . . ?
C61 N20 C62 115(5) . . ?
C62 N20 C55 121(5) . . ?
C57 N21 C64 112(5) . . ?
C57 N21 C66 121(4) . . ?
C64 N21 C66 123(5) . . ?
C60 N22 C58 114(5) . . ?
C60 N22 C67 154(6) . . ?
C67 N22 C58 84(4) . . ?
C61 N23 C68 110(5) . . ?
C65 N23 C61 110(5) . . ?
C65 N23 C68 137(6) . . ?
C63 N24 C62 116(5) . . ?
C69 N24 C62 116(5) 3_655 . ?
C69 N24 C63 128(5) 3_655 . ?
C64 N25 C68 131(6) . 3_655 ?
C67 N25 C64 115(7) . . ?
C67 N25 C68 113(7) . 3_655 ?
C66 N26 C65 122(6) . 3_655 ?
C69 N26 C65 112(5) . 3_655 ?
C69 N26 C66 125(6) . . ?
S8 C70 Ag2 104(2) . 2 ?
O25 S8 C70 110.4(17) . . ?
O25 S8 O26 117(3) . . ?
O26 S8 C70 110.3(17) . . ?
O27 S8 C70 110.2(17) . . ?
O27 S8 O25 98(3) . . ?
O27 S8 O26 110(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
Ag1 O2 S7 C29 178.8(15) . . . . ?
Ag1 O2 S7 O5 62.4(14) . . . . ?
Ag1 O2 S7 O7 -65.5(14) . . . . ?
Ag1 O3 S2 C20 -125.4(18) . . . . ?
Ag1 O3 S2 O1 -9(2) . . . . ?
Ag1 O3 S2 O4 119.8(17) . . . . ?
Ag2 O5 S7 C29 180.0(12) . . . . ?
Ag2 O5 S7 O2 -63.4(12) . . . . ?
Ag2 O5 S7 O7 63.6(12) . . . . ?
Ag2 C70 S8 O25 -170(3) 2 . . . ?
Ag2 C70 S8 O26 -40(3) 2 . . . ?
Ag2 C70 S8 O27 82(3) 2 . . . ?
Ag3 O29 S5 C26 -158(3) . . . . ?
Ag3 O29 S5 C71 -139.6(18) . . . . ?
Ag3 O29 S5 O6 -13(4) . . . . ?
Ag3 O29 S5 O8 -62(4) . . . . ?
Ag3 O29 S5 O11 98(2) . . . . ?
Ag3 O29 S5 O28 115(2) . . . . ?
Ag3 O29 S5 O30 -28(3) . . . . ?
Ag4 O1 S2 C20 92.6(12) . . . . ?
Ag4 O1 S2 O3 -22.1(13) . . . . ?
Ag4 O1 S2 O4 -151.0(10) . . . . ?
Ag4 O12 S6 C31 -128.7(13) . . . . ?
Ag4 O12 S6 O9 -14(2) . . . . ?
Ag4 O12 S6 O10 114.8(16) . . . . ?
C3 C4 C5 C6 -177(4) . . . . ?
C3 C4 C9 C8 178(3) . . . . ?
C4 C3 S1 Ag2 -86(3) . . . . ?
C4 C3 S1 Ag3 -165(2) . . . . ?
C4 C3 S1 Ag5 7(3) . . . 2 ?
C4 C3 S1 Ag6 120(2) . . . . ?
C4 C3 S1 C72 79(15) . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
C5 C4 C9 C8 0.0 . . . . ?
C5 C6 C7 C8 0.0 . . . . ?
C6 C7 C8 C9 0.0 . . . . ?
C7 C8 C9 C4 0.0 . . . . ?
C9 C4 C5 C6 0.0 . . . . ?
C11 C1 C18 C13 1(4) . . . . ?
C11 C2 S4 Ag1 -111.9(12) . . . . ?
C11 C2 S4 Ag2 167.9(11) . . . . ?
C11 C2 S4 Ag4 78.3(14) . . . 2 ?
C11 C2 S4 Ag7 -30.7(15) . . . . ?
C11 C10 C14 C13 -2(4) . . . . ?
C12 C23 N2 Ag5 173.8(16) . . . . ?
C12 C23 N2 C21 -5(3) . . . . ?
C14 C10 C11 C1 0(3) . . . . ?
C14 C10 C11 C2 178(2) . . . . ?
C14 C13 C18 C1 -3(4) . . . . ?
C15 C24 C28 C28 67(5) . . . 3_675 ?
C15 C24 C33 C33 171(4) . . . 3_675 ?
C16 C19 C22 C25 -179(3) . . . . ?
C16 C19 C27 C32 -175(3) . . . . ?
C17 C21 N2 Ag5 -175.1(18) . . . . ?
C17 C21 N2 C23 4(4) . . . . ?
C18 C1 C11 C2 -177(2) . . . . ?
C18 C1 C11 C10 1(3) . . . . ?
C18 C13 C14 C10 4(4) . . . . ?
C19 C16 S3 Ag1 160.7(15) . . . . ?
C19 C16 S3 Ag3 -123.9(15) . . . . ?
C19 C16 S3 Ag4 75.8(17) . . . . ?
C19 C16 S3 Ag5 -29.9(19) . . . . ?
C19 C22 C25 C30 -3(5) . . . . ?
C19 C27 C32 C30 -9(6) . . . . ?
C21 C17 N1 C12 4(4) . . . . ?
C21 C17 N1 C15 179(2) . . . . ?
C22 C19 C27 C32 5(6) . . . . ?
C22 C25 C30 C32 -1(6) . . . . ?
C23 C12 N1 C15 -180(2) . . . . ?
C23 C12 N1 C17 -5(3) . . . . ?
C24 C15 N1 C12 -120(2) . . . . ?
C24 C15 N1 C17 66(3) . . . . ?
C25 C30 C32 C27 7(6) . . . . ?
C27 C19 C22 C25 2(5) . . . . ?
C28 C24 C33 C33 -33(3) . . . 3_675 ?
C33 C24 C28 C28 38(4) . . . 3_675 ?
C72 C73 C76 C74 -173(4) . . . . ?
C72 C73 C77 C78 174(3) . . . . ?
C73 C72 S1 Ag2 -63(4) . . . . ?
C73 C72 S1 Ag3 -145(3) . . . . ?
C73 C72 S1 Ag5 36(4) . . . 2 ?
C73 C72 S1 Ag6 139(3) . . . . ?
C73 C72 S1 C3 -78(15) . . . . ?
C73 C77 C78 C75 0.0(4) . . . . ?
C74 C75 C78 C77 0.0(3) . . . . ?
C75 C74 C76 C73 0.0(3) . . . . ?
C76 C73 C77 C78 0.0(4) . . . . ?
C76 C74 C75 C78 0.0(2) . . . . ?
C77 C73 C76 C74 0.0(3) . . . . ?
N1 C12 C23 N2 6(3) . . . . ?
N1 C15 C24 C28 163(3) . . . . ?
N1 C15 C24 C33 179(2) . . . . ?
N1 C17 C21 N2 -4(4) . . . . ?
S1 C3 C4 C5 -86(4) . . . . ?
S1 C3 C4 C9 97(2) . . . . ?
S1 C72 C73 C76 34(5) . . . . ?
S1 C72 C73 C77 -140(3) . . . . ?
S3 C16 C19 C22 89(3) . . . . ?
S3 C16 C19 C27 -91(3) . . . . ?
S4 C2 C11 C1 67(2) . . . . ?
S4 C2 C11 C10 -110.9(18) . . . . ?
C38 C49 N10 C34 1(3) . . . . ?
C38 C49 N10 C42 -178(2) . . . . ?
C38 C49 N13 C41 -6(3) . . . . ?
C38 C49 N13 C43 -166(2) . . . . ?
C45 C50 N5 C37 1(4) . . . . ?
C45 C50 N5 C51 172(3) . . . 3_655 ?
C45 C50 N14 C39 -7(3) . . . . ?
C45 C50 N14 C40 -165(2) . . . . ?
C46 C47 N9 C44 9(3) . . . . ?
C46 C47 N9 C51 162(3) . . . . ?
C47 C46 N8 C35 4(3) . . . 3_655 ?
C47 C46 N8 C43 175(2) . . . . ?
C47 C46 N11 C42 -169(2) . . . . ?
C47 C46 N11 C44 -12(3) . . . . ?
C49 C38 N3 C34 -4(3) . . . . ?
C49 C38 N3 C36 -174(3) . . . . ?
C49 C38 N12 C41 11(3) . . . . ?
C49 C38 N12 C48 172(2) . . . . ?
C50 C45 N4 C36 171(3) . . . . ?
C50 C45 N4 C39 0(4) . . . . ?
C50 C45 N6 C37 2(3) . . . . ?
C50 C45 N6 C48 -171(3) . . . . ?
N3 C34 N10 C42 175(3) . . . . ?
N3 C34 N10 C49 -5(3) . . . . ?
N3 C36 N4 C39 -108(3) . . . . ?
N3 C36 N4 C45 81(4) . . . . ?
N3 C38 C49 N10 2(2) . . . . ?
N3 C38 C49 N13 -121(2) . . . . ?
N3 C38 N12 C41 126(3) . . . . ?
N3 C38 N12 C48 -74(3) . . . . ?
N4 C36 N3 C34 110(3) . . . . ?
N4 C36 N3 C38 -81(4) . . . . ?
N4 C39 N14 C40 167(3) . . . . ?
N4 C39 N14 C50 7(4) . . . . ?
N4 C45 C50 N5 123(3) . . . . ?
N4 C45 C50 N14 4(3) . . . . ?
N4 C45 N6 C37 -116(3) . . . . ?
N4 C45 N6 C48 70(4) . . . . ?
N5 C37 N6 C45 -2(3) . . . . ?
N5 C37 N6 C48 172(3) . . . . ?
N5 C50 N14 C39 -118(4) . . . . ?
N5 C50 N14 C40 84(4) . . . . ?
N5 C51 N9 C44 -121(3) 3_655 . . . ?
N5 C51 N9 C47 87(4) 3_655 . . . ?
N6 C37 N5 C50 1(4) . . . . ?
N6 C37 N5 C51 -172(3) . . . 3_655 ?
N6 C45 C50 N5 -2(3) . . . . ?
N6 C45 C50 N14 -121(3) . . . . ?
N6 C45 N4 C36 -72(4) . . . . ?
N6 C45 N4 C39 117(3) . . . . ?
N6 C48 N12 C38 86(3) . . . . ?
N6 C48 N12 C41 -115(3) . . . . ?
N7 C40 N14 C39 118(3) . . . . ?
N7 C40 N14 C50 -86(4) . . . . ?
N7 C47 N9 C44 120(3) 3_655 . . . ?
N7 C47 N9 C51 -86(4) 3_655 . . . ?
N8 C35 N7 C40 -171(3) 3_655 . . . ?
N8 C35 N7 C47 -12(4) 3_655 . . 3_655 ?
N8 C43 N13 C41 107(3) . . . . ?
N8 C43 N13 C49 -96(3) . . . . ?
N8 C46 C47 N7 3(2) . . . 3_655 ?
N8 C46 C47 N9 120(2) . . . . ?
N8 C46 N11 C42 80(3) . . . . ?
N8 C46 N11 C44 -123(3) . . . . ?
N9 C44 N11 C42 174(3) . . . . ?
N9 C44 N11 C46 18(3) . . . . ?
N10 C34 N3 C36 177(3) . . . . ?
N10 C34 N3 C38 6(3) . . . . ?
N10 C42 N11 C44 109(3) . . . . ?
N10 C42 N11 C46 -95(3) . . . . ?
N10 C49 N13 C41 -123(3) . . . . ?
N10 C49 N13 C43 77(3) . . . . ?
N11 C42 N10 C34 -97(3) . . . . ?
N11 C42 N10 C49 82(3) . . . . ?
N11 C44 N9 C47 -16(4) . . . . ?
N11 C44 N9 C51 -171(3) . . . . ?
N11 C46 C47 N7 -116(2) . . . 3_655 ?
N11 C46 C47 N9 1(3) . . . . ?
N11 C46 N8 C35 115(3) . . . 3_655 ?
N11 C46 N8 C43 -74(4) . . . . ?
N12 C38 C49 N10 120(2) . . . . ?
N12 C38 C49 N13 -3(3) . . . . ?
N12 C38 N3 C34 -120(3) . . . . ?
N12 C38 N3 C36 70(4) . . . . ?
N12 C41 N13 C43 174(2) . . . . ?
N12 C41 N13 C49 13(3) . . . . ?
N12 C48 N6 C37 106(3) . . . . ?
N12 C48 N6 C45 -81(4) . . . . ?
N13 C41 N12 C38 -15(3) . . . . ?
N13 C41 N12 C48 -178(2) . . . . ?
N13 C43 N8 C35 -103(3) . . . 3_655 ?
N13 C43 N8 C46 87(3) . . . . ?
N13 C49 N10 C34 117(3) . . . . ?
N13 C49 N10 C42 -63(4) . . . . ?
N14 C39 N4 C36 -177(3) . . . . ?
N14 C39 N4 C45 -5(4) . . . . ?
N14 C40 N7 C35 -121(3) . . . . ?
N14 C40 N7 C47 84(3) . . . 3_655 ?
N14 C50 N5 C37 110(4) . . . . ?
N14 C50 N5 C51 -78(4) . . . 3_655 ?
O13 C34 N3 C36 -6(5) . . . . ?
O13 C34 N3 C38 -177(3) . . . . ?
O13 C34 N10 C42 -2(5) . . . . ?
O13 C34 N10 C49 179(3) . . . . ?
O14 C39 N4 C36 7(5) . . . . ?
O14 C39 N4 C45 179(4) . . . . ?
O14 C39 N14 C40 -17(5) . . . . ?
O14 C39 N14 C50 -176(4) . . . . ?
O15 C44 N9 C47 174(3) . . . . ?
O15 C44 N9 C51 19(5) . . . . ?
O15 C44 N11 C42 -17(5) . . . . ?
O15 C44 N11 C46 -174(3) . . . . ?
O16 C35 N7 C40 9(5) . . . . ?
O16 C35 N7 C47 168(3) . . . 3_655 ?
O17 C37 N5 C50 175(3) . . . . ?
O17 C37 N5 C51 3(6) . . . 3_655 ?
O17 C37 N6 C45 -178(3) . . . . ?
O17 C37 N6 C48 -3(4) . . . . ?
O18 C41 N12 C38 174(3) . . . . ?
O18 C41 N12 C48 11(4) . . . . ?
O18 C41 N13 C43 -15(4) . . . . ?
O18 C41 N13 C49 -175(3) . . . . ?
C54 C56 N15 C59 6(5) . . . . ?
C54 C56 N15 C63 179(4) . . . . ?
C54 C56 N17 C52 5(6) . . . . ?
C54 C56 N17 C55 175(5) . . . . ?
C56 C54 N16 C52 4(7) . . . . ?
C56 C54 N16 C53 -177(6) . . . . ?
C56 C54 N19 C59 -1(6) . . . . ?
C56 C54 N19 C60 172(5) . . . . ?
C58 C64 N21 C57 1(7) . . . . ?
C58 C64 N21 C66 -159(5) . . . . ?
C58 C64 N25 C67 -6(9) . . . . ?
C58 C64 N25 C68 166(6) . . . 3_655 ?
C62 C65 N23 C61 7(7) . . . . ?
C62 C65 N23 C68 164(6) . . . . ?
C64 C58 N18 C53 175(6) . . . . ?
C64 C58 N18 C57 0(7) . . . . ?
C64 C58 N22 C60 -172(6) . . . . ?
C64 C58 N22 C67 -12(6) . . . . ?
C65 C62 N20 C55 -167(5) . . . . ?
C65 C62 N20 C61 -9(7) . . . . ?
C65 C62 N24 C63 -178(4) . . . . ?
C65 C62 N24 C69 1(6) . . . 3_655 ?
N15 C56 N17 C52 104(7) . . . . ?
N15 C56 N17 C55 -87(7) . . . . ?
N15 C59 N19 C54 5(5) . . . . ?
N15 C59 N19 C60 -169(5) . . . . ?
N15 C63 N24 C62 87(6) . . . . ?
N15 C63 N24 C69 -91(7) . . . 3_655 ?
N16 C52 N17 C55 -173(5) . . . . ?
N16 C52 N17 C56 -3(8) . . . . ?
N16 C53 N18 C57 -91(9) . . . . ?
N16 C53 N18 C58 95(8) . . . . ?
N16 C54 C56 N15 -125(5) . . . . ?
N16 C54 C56 N17 -5(6) . . . . ?
N16 C54 N19 C59 119(6) . . . . ?
N16 C54 N19 C60 -68(7) . . . . ?
N17 C52 N16 C53 180(6) . . . . ?
N17 C52 N16 C54 -1(8) . . . . ?
N17 C55 N20 C61 111(6) . . . . ?
N17 C55 N20 C62 -91(6) . . . . ?
N17 C56 N15 C59 -95(8) . . . . ?
N17 C56 N15 C63 77(8) . . . . ?
N18 C53 N16 C52 91(9) . . . . ?
N18 C53 N16 C54 -89(8) . . . . ?
N18 C57 N21 C64 -1(8) . . . . ?
N18 C57 N21 C66 160(5) . . . . ?
N18 C58 C64 N21 0(6) . . . . ?
N18 C58 C64 N25 125(5) . . . . ?
N18 C58 N22 C60 76(7) . . . . ?
N18 C58 N22 C67 -124(5) . . . . ?
N19 C54 C56 N15 -3(5) . . . . ?
N19 C54 C56 N17 118(4) . . . . ?
N19 C54 N16 C52 -117(6) . . . . ?
N19 C54 N16 C53 63(8) . . . . ?
N19 C59 N15 C56 -7(6) . . . . ?
N19 C59 N15 C63 -179(5) . . . . ?
N19 C60 N22 C58 -99(6) . . . . ?
N19 C60 N22 C67 131(14) . . . . ?
N20 C55 N17 C52 -100(6) . . . . ?
N20 C55 N17 C56 91(5) . . . . ?
N20 C61 N23 C65 -13(7) . . . . ?
N20 C61 N23 C68 -176(5) . . . . ?
N20 C62 C65 N23 0(6) . . . . ?
N20 C62 C65 N26 -122(5) . . . 3_655 ?
N20 C62 N24 C63 -72(7) . . . . ?
N20 C62 N24 C69 107(7) . . . 3_655 ?
N21 C57 N18 C53 -174(7) . . . . ?
N21 C57 N18 C58 1(7) . . . . ?
N21 C64 N25 C67 113(8) . . . . ?
N21 C64 N25 C68 -76(9) . . . 3_655 ?
N21 C66 N26 C65 78(8) . . . 3_655 ?
N21 C66 N26 C69 -113(7) . . . . ?
N22 C58 C64 N21 -114(5) . . . . ?
N22 C58 C64 N25 12(6) . . . . ?
N22 C58 N18 C53 -73(7) . . . . ?
N22 C58 N18 C57 112(5) . . . . ?
N22 C60 N19 C54 101(6) . . . . ?
N22 C60 N19 C59 -86(7) . . . . ?
N22 C67 N25 C64 -6(12) . . . . ?
N22 C67 N25 C68 -179(7) . . . 3_655 ?
N23 C61 N20 C55 172(5) . . . . ?
N23 C61 N20 C62 13(7) . . . . ?
N24 C62 C65 N23 124(5) . . . . ?
N24 C62 C65 N26 2(5) . . . 3_655 ?
N24 C62 N20 C55 86(7) . . . . ?
N24 C62 N20 C61 -115(7) . . . . ?
N24 C63 N15 C56 -90(6) . . . . ?
N24 C63 N15 C59 82(7) . . . . ?
N24 C69 N26 C65 -4(7) 3_655 . . 3_655 ?
N24 C69 N26 C66 -174(6) 3_655 . . . ?
N25 C64 N21 C57 -117(7) . . . . ?
N25 C64 N21 C66 83(8) . . . . ?
N25 C67 N22 C58 12(10) . . . . ?
N25 C67 N22 C60 147(14) . . . . ?
N25 C68 N23 C61 -126(6) 3_655 . . . ?
N25 C68 N23 C65 77(9) 3_655 . . . ?
N26 C65 N23 C61 120(6) 3_655 . . . ?
N26 C65 N23 C68 -83(9) 3_655 . . . ?
N26 C66 N21 C57 113(7) . . . . ?
N26 C66 N21 C64 -88(7) . . . . ?
O19 C52 N16 C53 3(12) . . . . ?
O19 C52 N16 C54 -177(7) . . . . ?
O19 C52 N17 C55 4(11) . . . . ?
O19 C52 N17 C56 173(7) . . . . ?
O20 C57 N18 C53 -10(12) . . . . ?
O20 C57 N18 C58 164(7) . . . . ?
O20 C57 N21 C64 -165(6) . . . . ?
O20 C57 N21 C66 -4(10) . . . . ?
O21 C59 N15 C56 -174(5) . . . . ?
O21 C59 N15 C63 14(8) . . . . ?
O21 C59 N19 C54 170(5) . . . . ?
O21 C59 N19 C60 -4(9) . . . . ?
O22 C61 N20 C55 -12(10) . . . . ?
O22 C61 N20 C62 -171(6) . . . . ?
O22 C61 N23 C65 172(6) . . . . ?
O22 C61 N23 C68 9(9) . . . . ?
O23 C67 N22 C58 -175(6) . . . . ?
O23 C67 N22 C60 -40(17) . . . . ?
O23 C67 N25 C64 -175(12) . . . . ?
O23 C67 N25 C68 12(17) . . . 3_655 ?
O24 C69 N26 C65 -177(5) . . . 3_655 ?
O24 C69 N26 C66 13(10) . . . . ?

_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 1.691
_oxdiff_exptl_absorpt_empirical_full_min 0.531


