# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_SJ_a
_database_code_depnum_ccdc_archive 'CCDC 2017538'
loop_
_audit_author_name
_audit_author_address
'Dongwon Kim'
;Pusan National University
South Korea
;
_audit_update_record             
;
2020-07-20 deposited with the CCDC.	2020-10-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C112 H108 Ag2 Cl2 N6 O34'
_chemical_formula_weight         2368.68

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0064 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1472 0.1563 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.9157 1.0899 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   12.519(3)
_cell_length_b                   13.668(3)
_cell_length_c                   16.827(3)
_cell_angle_alpha                99.56(3)
_cell_angle_beta                 108.37(3)
_cell_angle_gamma                95.92(3)
_cell_volume                     2657.2(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    0
_cell_measurement_theta_min      0.203
_cell_measurement_theta_max      33.749

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_F_000             1222
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.057
_exptl_crystal_size_mid          0.052
_exptl_crystal_size_min          0.023
_exptl_absorpt_coefficient_mu    0.480
_shelx_estimated_absorpt_T_min   0.973
_shelx_estimated_absorpt_T_max   0.989
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.917
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'HKL3000sm Scalepack(Otwinowski et.al,2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.700
_diffrn_radiation_type           synchrotron
_diffrn_source                   'PLSII 2D bending magnet'
_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23894
_diffrn_reflns_av_unetI/netI     0.0392
_diffrn_reflns_av_R_equivalents  0.0291
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.509
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_full        24.835
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             12072
_reflns_number_gt                10097
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'PAL BL2D-SMDC Program (Shin et. al, 2016)'
_computing_cell_refinement       'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_data_reduction        'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  SHELXL
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1015P)²+8.7675P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12072
_refine_ls_number_parameters     746
_refine_ls_number_restraints     1827
_refine_ls_R_factor_all          0.0818
_refine_ls_R_factor_gt           0.0724
_refine_ls_wR_factor_ref         0.2117
_refine_ls_wR_factor_gt          0.2060
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000

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
Ag01 Ag 0.97620(3) 0.95375(3) 0.71409(2) 0.04290(14) Uani 1 1 d . U . . .
O1 O 0.4940(2) 0.3641(2) 0.34170(17) 0.0264(6) Uani 1 1 d . U . . .
O2 O 0.0639(2) 0.4495(2) 0.41247(17) 0.0253(5) Uani 1 1 d . U . . .
O3 O 0.3501(3) 0.2749(2) 0.68317(17) 0.0291(6) Uani 1 1 d . U . . .
O4 O 0.7175(6) 0.2274(5) 0.9456(4) 0.099(2) Uani 1 1 d . U . . .
O5 O 0.7195(5) 0.1974(5) 0.7792(3) 0.0879(17) Uani 1 1 d . U . . .
O6 O 0.7489(3) 0.6604(2) 0.89818(19) 0.0345(6) Uani 1 1 d . U . . .
O7 O 0.9095(3) 0.6244(3) 0.8155(2) 0.0451(8) Uani 1 1 d . U . . .
O8 O 0.8647(3) 0.5062(3) 0.1936(2) 0.0434(8) Uani 1 1 d . U . . .
O9 O 0.8226(8) 0.5184(4) 0.0598(3) 0.124(3) Uani 1 1 d . U . . .
O10 O 0.4926(2) 0.1622(2) 1.04232(17) 0.0267(6) Uani 1 1 d . U . . .
O11 O 0.4427(3) 0.1228(2) 1.15228(19) 0.0327(6) Uani 1 1 d . U . . .
O12 O 0.3869(2) 0.8590(2) 0.45607(17) 0.0262(5) Uani 1 1 d . U . . .
O13 O 0.3673(3) 0.9012(3) 0.5851(2) 0.0382(7) Uani 1 1 d . U . . .
N1 N 0.7889(3) 0.9092(2) 0.6510(2) 0.0293(7) Uani 1 1 d . U . . .
N2 N 0.9757(3) 0.8717(3) 0.2315(3) 0.0378(8) Uani 1 1 d . U . . .
N3 N 0.8624(3) 0.1068(3) 1.2365(2) 0.0315(7) Uani 1 1 d . U . . .
C1 C 0.2532(3) 0.3701(3) 0.5287(2) 0.0248(7) Uani 1 1 d . U . . .
H1 H 0.192437 0.371068 0.551183 0.030 Uiso 1 1 calc R U . . .
C2 C 0.2309(3) 0.3657(3) 0.4420(2) 0.0229(7) Uani 1 1 d . U . . .
C3 C 0.3210(3) 0.3647(3) 0.4091(2) 0.0213(7) Uani 1 1 d . U . . .
H3 H 0.306027 0.362211 0.349817 0.026 Uiso 1 1 calc R U . . .
C4 C 0.4322(3) 0.3673(2) 0.4629(2) 0.0206(7) Uani 1 1 d . U . . .
C5 C 0.4530(3) 0.3722(3) 0.5503(2) 0.0230(7) Uani 1 1 d . U . . .
H5 H 0.528661 0.374998 0.587564 0.028 Uiso 1 1 calc R U . . .
C6 C 0.3642(3) 0.3730(3) 0.5832(2) 0.0239(7) Uani 1 1 d . U . . .
C7 C 0.3851(4) 0.3754(3) 0.6772(2) 0.0260(8) Uani 1 1 d . U . . .
H7A H 0.466962 0.398508 0.711043 0.031 Uiso 1 1 calc R U . . .
H7AB H 0.340108 0.421721 0.699106 0.031 Uiso 1 1 calc R U . . .
C8 C 0.3570(3) 0.2595(3) 0.7627(2) 0.0249(7) Uani 1 1 d . U . . .
C9 C 0.3987(4) 0.3334(3) 0.8373(2) 0.0284(8) Uani 1 1 d . U . . .
H9 H 0.423399 0.400794 0.835488 0.034 Uiso 1 1 calc R U . . .
C10 C 0.4038(4) 0.3072(3) 0.9154(2) 0.0293(8) Uani 1 1 d . U . . .
H10 H 0.431911 0.357771 0.966480 0.035 Uiso 1 1 calc R U . . .
C11 C 0.3690(3) 0.2096(3) 0.9195(2) 0.0276(8) Uani 1 1 d . U . . .
C12 C 0.3265(4) 0.1371(3) 0.8437(3) 0.0303(8) Uani 1 1 d . U . . .
H12 H 0.301845 0.069657 0.845536 0.036 Uiso 1 1 calc R U . . .
C13 C 0.3196(4) 0.1611(3) 0.7658(2) 0.0298(8) Uani 1 1 d . U . . .
H13 H 0.289443 0.110774 0.714665 0.036 Uiso 1 1 calc R U . . .
C14 C 0.3760(4) 0.1810(3) 1.0030(3) 0.0294(8) Uani 1 1 d . U . . .
H14A H 0.359210 0.236173 1.041074 0.035 Uiso 1 1 calc R U . . .
H14B H 0.319974 0.119821 0.993254 0.035 Uiso 1 1 calc R U . . .
C15 C 0.5132(4) 0.1372(3) 1.1189(2) 0.0265(7) Uani 1 1 d . U . . .
C16 C 0.6364(3) 0.1285(3) 1.1579(2) 0.0255(7) Uani 1 1 d . U . . .
C17 C 0.6752(4) 0.1190(3) 1.2432(2) 0.0275(8) Uani 1 1 d . U . . .
H17 H 0.625177 0.119483 1.275556 0.033 Uiso 1 1 calc R U . . .
C18 C 0.7885(4) 0.1090(3) 1.2798(3) 0.0318(8) Uani 1 1 d . U . . .
H18 H 0.815117 0.103371 1.338027 0.038 Uiso 1 1 calc R U . . .
C19 C 0.8238(4) 0.1181(3) 1.1544(3) 0.0307(8) Uani 1 1 d . U . . .
H19 H 0.875370 0.118009 1.123267 0.037 Uiso 1 1 calc R U . . .
C20 C 0.7122(4) 0.1298(3) 1.1136(3) 0.0303(8) Uani 1 1 d . U . . .
H20 H 0.688421 0.138640 1.056126 0.036 Uiso 1 1 calc R U . . .
C21 C 0.5327(3) 0.3680(3) 0.4316(2) 0.0220(7) Uani 1 1 d . U . . .
H21A H 0.588995 0.429930 0.461843 0.026 Uiso 1 1 calc R U . . .
H21B H 0.570345 0.309316 0.443927 0.026 Uiso 1 1 calc R U . . .
C22 C 0.5764(3) 0.3702(3) 0.3037(2) 0.0222(7) Uani 1 1 d . U . . .
C23 C 0.5376(3) 0.3711(3) 0.2166(2) 0.0257(7) Uani 1 1 d . U . . .
H23 H 0.458355 0.365836 0.186584 0.031 Uiso 1 1 calc R U . . .
C24 C 0.6153(3) 0.3796(3) 0.1740(2) 0.0271(8) Uani 1 1 d . U . . .
H24 H 0.588786 0.381200 0.114837 0.032 Uiso 1 1 calc R U . . .
C25 C 0.7322(3) 0.3860(3) 0.2167(3) 0.0280(8) Uani 1 1 d . U . . .
C26 C 0.7690(3) 0.3840(3) 0.3029(3) 0.0285(8) Uani 1 1 d . U . . .
H26 H 0.848239 0.388415 0.332722 0.034 Uiso 1 1 calc R U . . .
C27 C 0.6921(3) 0.3756(3) 0.3470(2) 0.0242(7) Uani 1 1 d . U . . .
H27 H 0.718692 0.373699 0.406137 0.029 Uiso 1 1 calc R U . . .
C28 C 0.8169(4) 0.3994(3) 0.1713(3) 0.0384(10) Uani 1 1 d . U . . .
H28A H 0.877998 0.359041 0.189977 0.046 Uiso 1 1 calc R U . . .
H28B H 0.778761 0.377247 0.108619 0.046 Uiso 1 1 calc R U . . .
C29 C 0.8572(5) 0.5556(4) 0.1332(3) 0.0409(10) Uani 1 1 d . U . . .
C30 C 0.8999(4) 0.6657(4) 0.1684(3) 0.0341(9) Uani 1 1 d . U . . .
C31 C 0.8964(5) 0.7306(4) 0.1124(3) 0.0466(12) Uani 1 1 d . U . . .
H31 H 0.867712 0.705863 0.052178 0.056 Uiso 1 1 calc R U . . .
C32 C 0.9359(5) 0.8322(4) 0.1468(3) 0.0498(12) Uani 1 1 d . U . . .
H32 H 0.934964 0.876296 0.108604 0.060 Uiso 1 1 calc R U . . .
C33 C 0.9771(4) 0.8079(4) 0.2840(3) 0.0351(9) Uani 1 1 d . U . . .
H33 H 1.004641 0.834556 0.343920 0.042 Uiso 1 1 calc R U . . .
C34 C 0.9408(4) 0.7056(3) 0.2557(3) 0.0333(9) Uani 1 1 d . U . . .
H34 H 0.943834 0.663165 0.295421 0.040 Uiso 1 1 calc R U . . .
C35 C 0.1108(3) 0.3640(3) 0.3847(2) 0.0247(7) Uani 1 1 d . U . . .
H35A H 0.110103 0.362883 0.325564 0.030 Uiso 1 1 calc R U . . .
H35B H 0.062053 0.301718 0.383822 0.030 Uiso 1 1 calc R U . . .
C36 C 0.1139(3) 0.5430(3) 0.4101(2) 0.0223(7) Uani 1 1 d . U . . .
C37 C 0.1819(3) 0.5592(3) 0.3603(2) 0.0245(7) Uani 1 1 d . U . . .
H37 H 0.196372 0.503894 0.325098 0.029 Uiso 1 1 calc R U . . .
C38 C 0.2284(3) 0.6571(3) 0.3628(2) 0.0240(7) Uani 1 1 d . U . . .
H38 H 0.274017 0.668098 0.328402 0.029 Uiso 1 1 calc R U . . .
C39 C 0.2092(3) 0.7396(3) 0.4150(2) 0.0243(7) Uani 1 1 d . U . . .
C40 C 0.1399(3) 0.7219(3) 0.4633(2) 0.0258(7) Uani 1 1 d . U . . .
H40 H 0.125257 0.777182 0.498535 0.031 Uiso 1 1 calc R U . . .
C41 C 0.0917(3) 0.6246(3) 0.4609(2) 0.0244(7) Uani 1 1 d . U . . .
H41 H 0.043844 0.613732 0.493652 0.029 Uiso 1 1 calc R U . . .
C42 C 0.2616(3) 0.8439(3) 0.4159(3) 0.0275(8) Uani 1 1 d . U . . .
H42A H 0.241796 0.854420 0.356509 0.033 Uiso 1 1 calc R U . . .
H42B H 0.230376 0.893916 0.448161 0.033 Uiso 1 1 calc R U . . .
C43 C 0.4256(3) 0.8857(3) 0.5412(2) 0.0270(8) Uani 1 1 d . U . . .
C44 C 0.5532(3) 0.8926(3) 0.5771(3) 0.0255(7) Uani 1 1 d . U . . .
C45 C 0.6047(4) 0.9087(3) 0.6653(3) 0.0311(8) Uani 1 1 d . U . . .
H45 H 0.560015 0.914028 0.701669 0.037 Uiso 1 1 calc R U . . .
C46 C 0.7223(4) 0.9169(3) 0.6994(3) 0.0331(9) Uani 1 1 d . U . . .
H46 H 0.757092 0.928537 0.759884 0.040 Uiso 1 1 calc R U . . .
C47 C 0.7383(3) 0.8906(3) 0.5655(3) 0.0285(8) Uani 1 1 d . U . . .
H47 H 0.784673 0.882861 0.530530 0.034 Uiso 1 1 calc R U . . .
C48 C 0.6212(3) 0.8821(3) 0.5262(3) 0.0261(7) Uani 1 1 d . U . . .
H48 H 0.588366 0.869293 0.465522 0.031 Uiso 1 1 calc R U . . .
C49 C 0.7605(4) 0.5605(4) 0.8647(3) 0.0389(10) Uani 1 1 d . U . . .
H49A H 0.706102 0.537420 0.805491 0.047 Uiso 1 1 calc R U . . .
H49B H 0.741874 0.514663 0.899946 0.047 Uiso 1 1 calc R U . . .
C50 C 0.8804(5) 0.5567(4) 0.8647(3) 0.0462(11) Uani 1 1 d . U . . .
H50A H 0.934534 0.575448 0.924212 0.055 Uiso 1 1 calc R U . . .
H50B H 0.886303 0.487358 0.839860 0.055 Uiso 1 1 calc R U . . .
C51 C 0.8987(4) 0.7246(4) 0.8502(3) 0.0448(11) Uani 1 1 d . U . . .
H51A H 0.917709 0.770975 0.815440 0.054 Uiso 1 1 calc R U . . .
H51B H 0.953270 0.746818 0.909405 0.054 Uiso 1 1 calc R U . . .
C52 C 0.7802(4) 0.7290(3) 0.8506(3) 0.0352(9) Uani 1 1 d . U . . .
H52A H 0.775413 0.798286 0.876477 0.042 Uiso 1 1 calc R U . . .
H52B H 0.726206 0.711980 0.790989 0.042 Uiso 1 1 calc R U . . .
C53 C 0.6210(6) 0.1668(7) 0.7951(6) 0.081(2) Uani 1 1 d . U . . .
H53A H 0.575441 0.107371 0.750554 0.097 Uiso 1 1 calc R U . . .
H53B H 0.574646 0.221421 0.792259 0.097 Uiso 1 1 calc R U . . .
C55 C 0.8155(7) 0.2593(7) 0.9304(5) 0.083(2) Uani 1 1 d . U . . .
H55A H 0.867529 0.209376 0.941056 0.100 Uiso 1 1 calc R U . . .
H55B H 0.854818 0.324079 0.970132 0.100 Uiso 1 1 calc R U . . .
C56 C 0.6475(9) 0.1411(7) 0.8802(6) 0.100(3) Uani 1 1 d . U . . .
H56A H 0.575877 0.121765 0.891123 0.120 Uiso 1 1 calc R U . . .
H56B H 0.689024 0.083142 0.881983 0.120 Uiso 1 1 calc R U . . .
C54 C 0.7890(8) 0.2720(8) 0.8409(5) 0.095(3) Uani 1 1 d . U . . .
H54 H 0.820313 0.331248 0.827990 0.114 Uiso 1 1 calc R U . . .
Cl1 Cl 0.9664(2) 0.98733(17) 0.97789(14) 0.0410(5) Uani 0.5 1 d . U P A -1
O14 O 0.8645(8) 0.9633(8) 0.9942(6) 0.067(2) Uani 0.5 1 d . U P A -1
O15 O 0.9424(6) 0.9707(5) 0.8874(4) 0.0398(14) Uani 0.5 1 d . U P A -1
O16 O 1.0493(13) 0.9274(13) 1.0143(8) 0.091(4) Uani 0.5 1 d . U P A -1
O17 O 1.0143(15) 1.0892(8) 1.0150(8) 0.092(4) Uani 0.5 1 d . U P A -1
Cl3 Cl 1.000000 1.000000 0.500000 0.0628(6) Uani 1 2 d S U P . .
O18 O 0.9597(7) 1.0188(6) 0.5643(5) 0.0515(18) Uani 0.5 1 d . U P A .
O19 O 1.0944(8) 0.9618(7) 0.5058(7) 0.063(2) Uani 0.5 1 d . U P A .
O20 O 0.8934(13) 0.9284(15) 0.4309(10) 0.141(5) Uani 0.5 1 d . U P A .
O21 O 0.9954(12) 1.0817(12) 0.4553(9) 0.110(4) Uani 0.5 1 d . U P A .


_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
Ag01 N1 2.217(4) . ?
Ag01 N3 2.230(4) 2_767 ?
Ag01 N2 2.351(4) 2_776 ?
Ag01 O18 2.765(7) . ?
Ag01 O21 2.950(13) 2_776 ?
Ag01 O15 3.051(6) . ?
O1 C22 1.376(5) . ?
O1 C21 1.426(4) . ?
O2 C36 1.376(4) . ?
O2 C35 1.435(5) . ?
O3 C8 1.367(4) . ?
O3 C7 1.429(4) . ?
O4 C55 1.374(10) . ?
O4 C56 1.456(11) . ?
O5 C54 1.331(10) . ?
O5 C53 1.381(9) . ?
O6 C49 1.428(6) . ?
O6 C52 1.431(5) . ?
O7 C50 1.431(7) . ?
O7 C51 1.434(6) . ?
O8 C29 1.296(6) . ?
O8 C28 1.458(5) . ?
O9 C29 1.174(6) . ?
O10 C15 1.341(4) . ?
O10 C14 1.469(5) . ?
O11 C15 1.204(5) . ?
O12 C43 1.331(5) . ?
O12 C42 1.476(5) . ?
O13 C43 1.202(5) . ?
N1 C46 1.337(6) . ?
N1 C47 1.344(5) . ?
N2 C33 1.337(6) . ?
N2 C32 1.345(7) . ?
N3 C18 1.345(6) . ?
N3 C19 1.354(6) . ?
C1 C2 1.387(5) . ?
C1 C6 1.396(6) . ?
C2 C3 1.404(5) . ?
C2 C35 1.504(5) . ?
C3 C4 1.394(5) . ?
C4 C5 1.399(5) . ?
C4 C21 1.508(5) . ?
C5 C6 1.390(6) . ?
C6 C7 1.514(5) . ?
C8 C9 1.387(5) . ?
C8 C13 1.393(5) . ?
C9 C10 1.401(5) . ?
C10 C11 1.381(6) . ?
C11 C12 1.391(6) . ?
C11 C14 1.498(5) . ?
C12 C13 1.382(5) . ?
C15 C16 1.499(6) . ?
C16 C20 1.381(6) . ?
C16 C17 1.395(5) . ?
C17 C18 1.389(6) . ?
C19 C20 1.388(6) . ?
C22 C27 1.389(5) . ?
C22 C23 1.395(5) . ?
C23 C24 1.384(6) . ?
C24 C25 1.398(6) . ?
C25 C26 1.384(6) . ?
C25 C28 1.502(6) . ?
C26 C27 1.395(6) . ?
C29 C30 1.496(7) . ?
C30 C34 1.385(6) . ?
C30 C31 1.392(6) . ?
C31 C32 1.385(8) . ?
C33 C34 1.378(7) . ?
C36 C37 1.395(5) . ?
C36 C41 1.396(5) . ?
C37 C38 1.391(5) . ?
C38 C39 1.401(5) . ?
C39 C40 1.393(6) . ?
C39 C42 1.502(5) . ?
C40 C41 1.391(5) . ?
C43 C44 1.505(6) . ?
C44 C45 1.387(6) . ?
C44 C48 1.388(6) . ?
C45 C46 1.387(6) . ?
C47 C48 1.388(6) . ?
C49 C50 1.507(7) . ?
C51 C52 1.493(7) . ?
C53 C56 1.474(13) . ?
C55 C54 1.480(11) . ?
Cl1 O14 1.405(10) . ?
Cl1 O17 1.411(10) . ?
Cl1 O15 1.430(7) . ?
Cl1 O16 1.437(13) . ?
Cl3 O19 1.323(8) . ?
Cl3 O19 1.323(8) 2_776 ?
Cl3 O18 1.330(7) 2_776 ?
Cl3 O18 1.330(7) . ?
Cl3 O21 1.442(11) . ?
Cl3 O21 1.442(11) 2_776 ?
Cl3 O20 1.570(13) 2_776 ?
Cl3 O20 1.570(13) . ?
O18 O19 1.248(12) 2_776 ?
O18 O21 1.561(16) 2_776 ?
O19 O21 1.582(14) 2_776 ?
O19 O20 1.652(18) 2_776 ?

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
N1 Ag01 N3 143.22(13) . 2_767 ?
N1 Ag01 N2 110.57(13) . 2_776 ?
N3 Ag01 N2 105.33(13) 2_767 2_776 ?
N1 Ag01 O18 82.6(2) . . ?
N3 Ag01 O18 111.5(2) 2_767 . ?
N2 Ag01 O18 80.38(19) 2_776 . ?
N1 Ag01 O21 89.7(3) . 2_776 ?
N3 Ag01 O21 87.6(2) 2_767 2_776 ?
N2 Ag01 O21 106.5(3) 2_776 2_776 ?
O18 Ag01 O21 31.5(3) . 2_776 ?
N1 Ag01 O15 88.85(16) . . ?
N3 Ag01 O15 90.70(17) 2_767 . ?
N2 Ag01 O15 78.44(16) 2_776 . ?
O18 Ag01 O15 152.7(2) . . ?
O21 Ag01 O15 175.0(3) 2_776 . ?
C22 O1 C21 116.7(3) . . ?
C36 O2 C35 117.7(3) . . ?
C8 O3 C7 116.8(3) . . ?
C55 O4 C56 111.5(6) . . ?
C54 O5 C53 112.3(6) . . ?
C49 O6 C52 110.6(3) . . ?
C50 O7 C51 109.8(4) . . ?
C29 O8 C28 119.4(4) . . ?
C15 O10 C14 114.7(3) . . ?
C43 O12 C42 115.1(3) . . ?
C46 N1 C47 117.9(4) . . ?
C46 N1 Ag01 118.7(3) . . ?
C47 N1 Ag01 122.5(3) . . ?
C33 N2 C32 117.1(4) . . ?
C33 N2 Ag01 120.6(3) . 2_776 ?
C32 N2 Ag01 122.0(3) . 2_776 ?
C18 N3 C19 117.5(4) . . ?
C18 N3 Ag01 120.0(3) . 2_767 ?
C19 N3 Ag01 120.5(3) . 2_767 ?
C2 C1 C6 120.4(4) . . ?
C1 C2 C3 119.6(3) . . ?
C1 C2 C35 119.4(3) . . ?
C3 C2 C35 121.0(3) . . ?
C4 C3 C2 120.6(3) . . ?
C3 C4 C5 119.0(3) . . ?
C3 C4 C21 123.0(3) . . ?
C5 C4 C21 118.0(3) . . ?
C6 C5 C4 120.8(3) . . ?
C5 C6 C1 119.7(3) . . ?
C5 C6 C7 121.3(3) . . ?
C1 C6 C7 119.0(4) . . ?
O3 C7 C6 106.3(3) . . ?
O3 C8 C9 124.8(3) . . ?
O3 C8 C13 115.2(3) . . ?
C9 C8 C13 120.0(4) . . ?
C8 C9 C10 119.1(4) . . ?
C11 C10 C9 121.4(4) . . ?
C10 C11 C12 118.4(4) . . ?
C10 C11 C14 121.5(4) . . ?
C12 C11 C14 120.1(4) . . ?
C13 C12 C11 121.4(4) . . ?
C12 C13 C8 119.7(4) . . ?
O10 C14 C11 107.4(3) . . ?
O11 C15 O10 124.9(4) . . ?
O11 C15 C16 123.9(4) . . ?
O10 C15 C16 111.2(3) . . ?
C20 C16 C17 119.1(4) . . ?
C20 C16 C15 123.1(3) . . ?
C17 C16 C15 117.9(3) . . ?
C18 C17 C16 118.5(4) . . ?
N3 C18 C17 123.1(4) . . ?
N3 C19 C20 122.9(4) . . ?
C16 C20 C19 118.9(4) . . ?
O1 C21 C4 109.3(3) . . ?
O1 C22 C27 123.9(3) . . ?
O1 C22 C23 116.0(3) . . ?
C27 C22 C23 120.1(4) . . ?
C24 C23 C22 119.6(4) . . ?
C23 C24 C25 121.1(4) . . ?
C26 C25 C24 118.5(4) . . ?
C26 C25 C28 120.4(4) . . ?
C24 C25 C28 121.1(4) . . ?
C25 C26 C27 121.3(4) . . ?
C22 C27 C26 119.4(4) . . ?
O8 C28 C25 106.9(4) . . ?
O9 C29 O8 124.2(5) . . ?
O9 C29 C30 124.1(5) . . ?
O8 C29 C30 111.7(4) . . ?
C34 C30 C31 118.7(4) . . ?
C34 C30 C29 121.8(4) . . ?
C31 C30 C29 119.5(4) . . ?
C32 C31 C30 118.3(5) . . ?
N2 C32 C31 123.5(5) . . ?
N2 C33 C34 123.5(4) . . ?
C33 C34 C30 118.9(4) . . ?
O2 C35 C2 112.2(3) . . ?
O2 C36 C37 124.1(3) . . ?
O2 C36 C41 115.8(3) . . ?
C37 C36 C41 120.1(3) . . ?
C38 C37 C36 119.4(3) . . ?
C37 C38 C39 121.2(3) . . ?
C40 C39 C38 118.5(3) . . ?
C40 C39 C42 122.1(4) . . ?
C38 C39 C42 119.4(3) . . ?
C41 C40 C39 121.0(4) . . ?
C40 C41 C36 119.8(3) . . ?
O12 C42 C39 110.6(3) . . ?
O13 C43 O12 125.1(4) . . ?
O13 C43 C44 123.2(4) . . ?
O12 C43 C44 111.6(3) . . ?
C45 C44 C48 118.6(4) . . ?
C45 C44 C43 118.3(4) . . ?
C48 C44 C43 123.1(4) . . ?
C44 C45 C46 119.0(4) . . ?
N1 C46 C45 122.9(4) . . ?
N1 C47 C48 122.9(4) . . ?
C44 C48 C47 118.7(4) . . ?
O6 C49 C50 110.8(4) . . ?
O7 C50 C49 110.1(4) . . ?
O7 C51 C52 110.9(4) . . ?
O6 C52 C51 110.8(4) . . ?
O5 C53 C56 111.1(7) . . ?
O4 C55 C54 110.7(7) . . ?
O4 C56 C53 109.5(7) . . ?
O5 C54 C55 117.4(7) . . ?
O14 Cl1 O17 109.9(8) . . ?
O14 Cl1 O15 109.1(5) . . ?
O17 Cl1 O15 109.3(6) . . ?
O14 Cl1 O16 111.3(8) . . ?
O17 Cl1 O16 107.6(7) . . ?
O15 Cl1 O16 109.6(7) . . ?
Cl1 O15 Ag01 161.1(4) . . ?
O19 Cl3 O19 180.0(3) . 2_776 ?
O19 Cl3 O18 56.1(6) . 2_776 ?
O19 Cl3 O18 123.9(6) 2_776 2_776 ?
O19 Cl3 O18 123.9(6) . . ?
O19 Cl3 O18 56.1(6) 2_776 . ?
O18 Cl3 O18 180.0 2_776 . ?
O19 Cl3 O21 110.4(6) . . ?
O19 Cl3 O21 69.6(6) 2_776 . ?
O18 Cl3 O21 68.4(6) 2_776 . ?
O18 Cl3 O21 111.6(6) . . ?
O19 Cl3 O21 69.6(6) . 2_776 ?
O19 Cl3 O21 110.4(6) 2_776 2_776 ?
O18 Cl3 O21 111.6(6) 2_776 2_776 ?
O18 Cl3 O21 68.4(6) . 2_776 ?
O21 Cl3 O21 180.0(8) . 2_776 ?
O19 Cl3 O20 69.0(8) . 2_776 ?
O19 Cl3 O20 111.0(8) 2_776 2_776 ?
O18 Cl3 O20 99.8(7) 2_776 2_776 ?
O18 Cl3 O20 80.2(7) . 2_776 ?
O21 Cl3 O20 83.9(11) . 2_776 ?
O21 Cl3 O20 96.1(11) 2_776 2_776 ?
O19 Cl3 O20 111.0(8) . . ?
O19 Cl3 O20 69.0(8) 2_776 . ?
O18 Cl3 O20 80.2(7) 2_776 . ?
O18 Cl3 O20 99.8(7) . . ?
O21 Cl3 O20 96.1(11) . . ?
O21 Cl3 O20 83.9(11) 2_776 . ?
O20 Cl3 O20 180.0 2_776 . ?
O19 O18 Cl3 61.7(5) 2_776 . ?
O19 O18 O21 107.4(8) 2_776 2_776 ?
Cl3 O18 O21 59.2(5) . 2_776 ?
O19 O18 Ag01 153.4(6) 2_776 . ?
Cl3 O18 Ag01 137.8(6) . . ?
O21 O18 Ag01 80.8(5) 2_776 . ?
O18 O19 Cl3 62.2(6) 2_776 . ?
O18 O19 O21 107.7(9) 2_776 2_776 ?
Cl3 O19 O21 58.7(5) . 2_776 ?
O18 O19 O20 99.2(10) 2_776 2_776 ?
Cl3 O19 O20 62.6(7) . 2_776 ?
O21 O19 O20 87.7(10) 2_776 2_776 ?
Cl3 O20 O19 48.4(5) . 2_776 ?
Cl3 O21 O18 52.4(5) . 2_776 ?
Cl3 O21 O19 51.6(5) . 2_776 ?
O18 O21 O19 96.3(9) 2_776 2_776 ?

_refine_diff_density_max         1.622
_refine_diff_density_min         -1.845
_refine_diff_density_rms         0.117

####################################################################### 
# 
# 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_ClO4_O-x
_database_code_depnum_ccdc_archive 'CCDC 2017539'
loop_
_audit_author_name
_audit_author_address
'Dongwon Kim'
;Pusan National University
South Korea
;
_audit_update_record             
;
2020-07-20 deposited with the CCDC.	2020-10-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H54 Ag Cl N3 O13'
_chemical_formula_weight         1168.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0047 0.0022 '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'
N N 0.0089 0.0045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0150 0.0081 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1798 0.2039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.6522 1.3843 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   12.716(3)
_cell_length_b                   13.798(3)
_cell_length_c                   16.840(3)
_cell_angle_alpha                97.80(3)
_cell_angle_beta                 110.15(3)
_cell_angle_gamma                98.57(3)
_cell_volume                     2686.6(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    220(2)
_cell_measurement_reflns_used    48715
_cell_measurement_theta_min      0.458
_cell_measurement_theta_max      33.749

_exptl_crystal_description       block
_exptl_crystal_colour            'pale brown'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_F_000             1206
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.038
_exptl_crystal_size_mid          0.027
_exptl_crystal_size_min          0.022
_exptl_absorpt_coefficient_mu    0.668
_shelx_estimated_absorpt_T_min   0.975
_shelx_estimated_absorpt_T_max   0.985
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.586
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'HKL3000sm Scalepack(Otwinowski et.al,2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      220(2)
_diffrn_radiation_wavelength     0.800
_diffrn_radiation_type           synchrotron
_diffrn_source                   'PLSII 2D bending magnet'
_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16825
_diffrn_reflns_av_unetI/netI     0.0338
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.971
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_full        28.000
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measured_fraction_theta_full 0.957
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_Laue_measured_fraction_full 0.957
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_point_group_measured_fraction_full 0.957
_reflns_number_total             8708
_reflns_number_gt                7074
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'PAL BL2D-SMDC Program (Shin et. al, 2016)'
_computing_cell_refinement       'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_data_reduction        'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  SHELXL
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1398P)²+1.8535P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8708
_refine_ls_number_parameters     899
_refine_ls_number_restraints     1331
_refine_ls_R_factor_all          0.0848
_refine_ls_R_factor_gt           0.0765
_refine_ls_wR_factor_ref         0.2271
_refine_ls_wR_factor_gt          0.2184
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      0.980
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.02934(3) 0.06851(3) 0.29618(3) 0.1016(2) Uani 1 1 d . U . . .
O1 O 0.5127(3) 0.6365(3) 0.6573(2) 0.0846(9) Uani 1 1 d . U . . .
C1 C 0.7755(4) 0.6382(3) 0.5667(3) 0.0700(10) Uani 1 1 d . U . . .
N2 N 0.2190(3) 0.0980(3) 0.3603(3) 0.0796(9) Uani 1 1 d . U . . .
O2 O 0.9425(2) 0.5607(2) 0.6006(2) 0.0763(7) Uani 1 1 d . U . . .
C2 C 0.7554(4) 0.6357(3) 0.4809(3) 0.0750(10) Uani 1 1 d . U . . .
H2 H 0.816467 0.637020 0.461425 0.090 Uiso 1 1 calc R U . . .
C3 C 0.6455(4) 0.6312(3) 0.4223(3) 0.0752(10) Uani 1 1 d . U . . .
O3 O 0.6481(4) 0.7311(2) 0.3194(2) 0.0912(10) Uani 1 1 d . U . . .
N3 N 0.1343(3) 0.8797(3) -0.2481(3) 0.0822(10) Uani 1 1 d . U . . .
C4 C 0.5567(4) 0.6306(3) 0.4520(3) 0.0750(10) Uani 1 1 d . U . . .
H4 H 0.482385 0.627668 0.412733 0.090 Uiso 1 1 calc R U . . .
C5 C 0.5752(4) 0.6343(3) 0.5389(3) 0.0689(9) Uani 1 1 d . U . . .
C6 C 0.6848(4) 0.6381(3) 0.5962(3) 0.0687(9) Uani 1 1 d . U . . .
H6 H 0.698527 0.640545 0.655080 0.082 Uiso 1 1 calc R U . . .
O6 O 0.6247(3) 0.1396(2) 0.5499(2) 0.0829(8) Uani 1 1 d . U . . .
C7 C 0.4747(4) 0.6317(3) 0.5663(3) 0.0725(10) Uani 1 1 d . U . . .
H7A H 0.439073 0.688429 0.551707 0.087 Uiso 1 1 calc R U . . .
H7AB H 0.417504 0.569797 0.535789 0.087 Uiso 1 1 calc R U . . .
O7 O 0.6335(3) 0.1025(4) 0.4199(3) 0.1063(12) Uani 1 1 d . U . . .
C8 C 0.6243(5) 0.6288(3) 0.3285(3) 0.0857(12) Uani 1 1 d . U . . .
H8A H 0.674617 0.591219 0.310501 0.103 Uiso 1 1 calc R U . . .
H8AB H 0.544533 0.596700 0.292650 0.103 Uiso 1 1 calc R U . . .
O8 O 0.5049(3) 0.8328(3) -0.0475(2) 0.0832(8) Uani 1 1 d . U . . .
O9 O 0.5526(3) 0.8792(4) -0.1546(3) 0.1016(11) Uani 1 1 d . U . . .
C9 C 0.8954(4) 0.6414(3) 0.6284(3) 0.0773(11) Uani 1 1 d . U . . .
H9A H 0.944982 0.705248 0.633177 0.093 Uiso 1 1 calc R U . . .
H9AB H 0.894046 0.637619 0.685693 0.093 Uiso 1 1 calc R U . . .
C10 C 0.4307(4) 0.6269(3) 0.6920(3) 0.0763(11) Uani 1 1 d . U . . .
C12 C 0.2404(4) 0.6077(4) 0.6900(4) 0.0846(12) Uani 1 1 d . U . . .
H12 H 0.162042 0.603406 0.659117 0.101 Uiso 1 1 calc R U . . .
C11 C 0.3162(4) 0.6209(3) 0.6484(3) 0.0792(11) Uani 1 1 d . U . . .
H11 H 0.289213 0.625912 0.589956 0.095 Uiso 1 1 calc R U . . .
C13 C 0.2768(5) 0.6006(3) 0.7759(4) 0.0878(13) Uani 1 1 d . U . . .
C14 C 0.3934(5) 0.6089(4) 0.8197(4) 0.0885(13) Uani 1 1 d . U . . .
H14 H 0.420338 0.605574 0.878497 0.106 Uiso 1 1 calc R U . . .
C15 C 0.4701(4) 0.6217(4) 0.7797(3) 0.0867(13) Uani 1 1 d . U . . .
H15 H 0.548632 0.626907 0.810738 0.104 Uiso 1 1 calc R U . . .
C16 C 0.1936(6) 0.5804(4) 0.8184(5) 0.1049(17) Uani 1 1 d . U . . .
H16A H 0.232753 0.608112 0.880378 0.126 Uiso 1 1 calc R U . A 6
H16B H 0.132413 0.616611 0.796198 0.126 Uiso 1 1 calc R U . A 6
C23 C 0.8928(3) 0.4650(3) 0.5999(3) 0.0693(9) Uani 1 1 d . U . . .
C24 C 0.9175(4) 0.3882(4) 0.5514(3) 0.0755(10) Uani 1 1 d . U . . .
H24 H 0.965210 0.403165 0.520776 0.091 Uiso 1 1 calc R U . . .
C25 C 0.8721(4) 0.2907(4) 0.5482(3) 0.0808(11) Uani 1 1 d . U . . .
H25 H 0.889484 0.239213 0.515315 0.097 Uiso 1 1 calc R U . . .
C26 C 0.8015(4) 0.2662(3) 0.5920(3) 0.0761(11) Uani 1 1 d . U . . .
C27 C 0.7788(4) 0.3427(4) 0.6405(3) 0.0808(11) Uani 1 1 d . U . . .
H27 H 0.732487 0.327343 0.672113 0.097 Uiso 1 1 calc R U . . .
C28 C 0.8225(4) 0.4416(4) 0.6439(3) 0.0759(11) Uani 1 1 d . U . . .
H28 H 0.804136 0.492832 0.676236 0.091 Uiso 1 1 calc R U . . .
C29 C 0.7511(4) 0.1584(4) 0.5892(4) 0.0911(13) Uani 1 1 d . U . . .
H29A H 0.779644 0.113213 0.555251 0.109 Uiso 1 1 calc R U . . .
H29B H 0.774831 0.145235 0.647913 0.109 Uiso 1 1 calc R U . . .
C30 C 0.5802(4) 0.1163(3) 0.4654(3) 0.0796(11) Uani 1 1 d . U . . .
C31 C 0.4529(4) 0.1086(3) 0.4309(3) 0.0741(10) Uani 1 1 d . U . . .
C32 C 0.3962(5) 0.0950(4) 0.3430(3) 0.0869(12) Uani 1 1 d . U . . .
H32 H 0.436369 0.088423 0.305647 0.104 Uiso 1 1 calc R U . . .
C33 C 0.2811(5) 0.0913(4) 0.3107(4) 0.0895(13) Uani 1 1 d . U . . .
H33 H 0.243671 0.083573 0.250663 0.107 Uiso 1 1 calc R U . . .
C34 C 0.2736(4) 0.1120(3) 0.4447(3) 0.0765(11) Uani 1 1 d . U . . .
H34 H 0.231339 0.118133 0.480559 0.092 Uiso 1 1 calc R U . . .
C35 C 0.3898(4) 0.1179(3) 0.4826(3) 0.0751(10) Uani 1 1 d . U . . .
H35 H 0.425597 0.128100 0.542942 0.090 Uiso 1 1 calc R U . . .
C36 C 0.6405(4) 0.7471(3) 0.2390(3) 0.0783(11) Uani 1 1 d . U . . .
C37 C 0.6675(6) 0.8457(4) 0.2329(3) 0.0945(14) Uani 1 1 d . U . . .
H37 H 0.689959 0.896842 0.282112 0.113 Uiso 1 1 calc R U . . .
C38 C 0.6616(5) 0.8690(4) 0.1552(3) 0.0898(13) Uani 1 1 d . U . . .
H38 H 0.680259 0.936417 0.151791 0.108 Uiso 1 1 calc R U . . .
C39 C 0.6290(5) 0.7962(4) 0.0822(3) 0.0834(12) Uani 1 1 d . U . . .
C40 C 0.6035(7) 0.6986(4) 0.0901(4) 0.112(2) Uani 1 1 d . U . . .
H40 H 0.580949 0.647747 0.040735 0.134 Uiso 1 1 calc R U . . .
C41 C 0.6097(5) 0.6722(4) 0.1675(3) 0.0963(15) Uani 1 1 d . U . . .
H41 H 0.593255 0.604574 0.171153 0.116 Uiso 1 1 calc R U . . .
C42 C 0.6231(5) 0.8238(5) -0.0025(3) 0.0926(14) Uani 1 1 d . U . . .
H42A H 0.676243 0.887447 0.007438 0.111 Uiso 1 1 calc R U . . .
H42B H 0.643477 0.771997 -0.036880 0.111 Uiso 1 1 calc R U . . .
C43 C 0.4829(4) 0.8599(4) -0.1237(3) 0.0782(11) Uani 1 1 d . U . . .
C44 C 0.3595(4) 0.8631(3) -0.1658(3) 0.0738(10) Uani 1 1 d . U . . .
C45 C 0.3190(4) 0.8770(3) -0.2503(3) 0.0774(11) Uani 1 1 d . U . . .
H45 H 0.368028 0.881253 -0.281181 0.093 Uiso 1 1 calc R U . . .
C46 C 0.2072(4) 0.8844(4) -0.2884(3) 0.0806(11) Uani 1 1 d . U . . .
H46 H 0.181061 0.893269 -0.345802 0.097 Uiso 1 1 calc R U . . .
C47 C 0.1725(5) 0.8631(4) -0.1668(4) 0.0879(13) Uani 1 1 d . U . . .
H47 H 0.120965 0.856783 -0.138112 0.106 Uiso 1 1 calc R U . . .
C48 C 0.2832(4) 0.8550(4) -0.1242(3) 0.0821(12) Uani 1 1 d . U . . .
H48 H 0.306752 0.844032 -0.067383 0.099 Uiso 1 1 calc R U . . .
C1A C 0.2225(8) 0.7045(8) 1.0910(6) 0.129(3) Uani 0.543(6) 1 d G U P B -1
C2A C 0.2965(9) 0.6808(7) 1.1648(7) 0.124(3) Uani 0.543(6) 1 d G U P B -1
C3A C 0.3801(8) 0.7558(9) 1.2282(6) 0.143(4) Uani 0.543(6) 1 d G U P B -1
H3A H 0.430098 0.739810 1.278058 0.171 Uiso 0.543(6) 1 calc R U P B -1
C4A C 0.3897(9) 0.8546(8) 1.2178(7) 0.152(4) Uani 0.543(6) 1 d G U P B -1
H4A H 0.446245 0.905358 1.260662 0.183 Uiso 0.543(6) 1 calc R U P B -1
C5A C 0.3158(11) 0.8783(6) 1.1440(9) 0.157(4) Uani 0.543(6) 1 d G U P B -1
H5A H 0.322272 0.945108 1.136995 0.188 Uiso 0.543(6) 1 calc R U P B -1
C6A C 0.2322(9) 0.8033(9) 1.0806(6) 0.140(4) Uani 0.543(6) 1 d G U P B -1
H6A H 0.182151 0.819309 1.030723 0.168 Uiso 0.543(6) 1 calc R U P B -1
C7A C 0.1236(17) 0.6214(15) 1.0253(11) 0.157(5) Uani 0.543(6) 1 d . U P B -1
H7AA H 0.091414 0.644339 0.971762 0.235 Uiso 0.543(6) 1 calc R U P B -1
H7AC H 0.064644 0.605793 1.048597 0.235 Uiso 0.543(6) 1 calc R U P B -1
H7AD H 0.152660 0.561957 1.014143 0.235 Uiso 0.543(6) 1 calc R U P B -1
C8A C 0.2867(15) 0.5712(13) 1.1700(12) 0.146(4) Uani 0.543(6) 1 d . U P B -1
H8AA H 0.272173 0.531665 1.113636 0.218 Uiso 0.543(6) 1 calc R U P B -1
H8AC H 0.223943 0.549904 1.188244 0.218 Uiso 0.543(6) 1 calc R U P B -1
H8AD H 0.357570 0.561938 1.211361 0.218 Uiso 0.543(6) 1 calc R U P B -1
C1B C 0.3397(11) 0.8256(7) 1.1390(10) 0.146(4) Uani 0.457(6) 1 d G U P B -2
H1B H 0.385580 0.886953 1.141724 0.176 Uiso 0.457(6) 1 calc R U P B -2
C2B C 0.2566(12) 0.8236(8) 1.1754(9) 0.147(4) Uani 0.457(6) 1 d G U P B -2
H2B H 0.246389 0.883629 1.202682 0.177 Uiso 0.457(6) 1 calc R U P B -2
C3B C 0.1887(10) 0.7329(10) 1.1714(8) 0.136(4) Uani 0.457(6) 1 d G U P B -2
H3B H 0.132579 0.731566 1.196039 0.163 Uiso 0.457(6) 1 calc R U P B -2
C4B C 0.2039(9) 0.6442(8) 1.1311(8) 0.125(4) Uani 0.457(6) 1 d G U P B -2
C5B C 0.2869(10) 0.6462(7) 1.0948(8) 0.125(3) Uani 0.457(6) 1 d G U P B -2
C6B C 0.3548(9) 0.7369(9) 1.0987(9) 0.127(3) Uani 0.457(6) 1 d G U P B -2
H6B H 0.410960 0.738209 1.074123 0.153 Uiso 0.457(6) 1 calc R U P B -2
C7B C 0.308(2) 0.5469(16) 1.0521(13) 0.155(6) Uani 0.457(6) 1 d . U P B -2
H7BA H 0.380918 0.560243 1.044595 0.232 Uiso 0.457(6) 1 calc R U P B -2
H7BB H 0.246998 0.520362 0.996346 0.232 Uiso 0.457(6) 1 calc R U P B -2
H7BC H 0.310021 0.498449 1.089047 0.232 Uiso 0.457(6) 1 calc R U P B -2
C8B C 0.126(2) 0.552(2) 1.1235(16) 0.178(8) Uani 0.457(6) 1 d . U P B -2
H8BA H 0.062049 0.538864 1.068792 0.268 Uiso 0.457(6) 1 calc R U P B -2
H8BB H 0.098561 0.559015 1.170464 0.268 Uiso 0.457(6) 1 calc R U P B -2
H8BC H 0.166351 0.497547 1.126139 0.268 Uiso 0.457(6) 1 calc R U P B -2
C1C C 0.1103(11) 0.1355(9) 0.0783(7) 0.132(3) Uani 0.5 1 d G U P C -3
C2C C -0.0019(9) 0.1471(9) 0.0414(6) 0.140(3) Uani 0.5 1 d DG U P C -3
C3C C -0.0267(9) 0.2418(11) 0.0505(7) 0.146(4) Uani 0.5 1 d G U P C -3
H3C H -0.102590 0.249725 0.025574 0.175 Uiso 0.5 1 calc R U P C -3
C4C C 0.0606(12) 0.3248(8) 0.0964(8) 0.154(4) Uani 0.5 1 d G U P C -3
H4C H 0.043823 0.388859 0.102549 0.185 Uiso 0.5 1 calc R U P C -3
C5C C 0.1728(11) 0.3132(9) 0.1333(8) 0.157(5) Uani 0.5 1 d G U P C -3
H5C H 0.231887 0.369283 0.164310 0.188 Uiso 0.5 1 calc R U P C -3
C6C C 0.1977(8) 0.2185(11) 0.1242(8) 0.149(4) Uani 0.5 1 d G U P C -3
H6C H 0.273539 0.210571 0.149098 0.178 Uiso 0.5 1 calc R U P C -3
C8C C -0.072(2) 0.0417(14) -0.0075(11) 0.198(10) Uani 0.5 1 d D U P C -3
H8C1 H -0.079492 0.000882 0.033524 0.297 Uiso 0.5 1 calc R U P C -3
H8C2 H -0.032442 0.011265 -0.041302 0.297 Uiso 0.5 1 calc R U P C -3
H8C3 H -0.147020 0.046375 -0.045678 0.297 Uiso 0.5 1 calc R U P C -3
C7C C 0.111(3) 0.0337(18) 0.0530(14) 0.177(7) Uani 0.5 1 d . U P C -3
H7C1 H 0.165069 0.012395 0.100107 0.265 Uiso 0.5 1 calc R U P C -3
H7C2 H 0.132385 0.025178 0.003016 0.265 Uiso 0.5 1 calc R U P C -3
H7C3 H 0.034641 -0.006480 0.038383 0.265 Uiso 0.5 1 calc R U P C -3
Cl1D Cl 0.1196(3) 0.2405(4) 0.1316(2) 0.1171(12) Uani 0.479(3) 1 d . U P D -4
O1D O 0.0856(10) 0.1444(11) 0.1545(8) 0.144(3) Uani 0.479(3) 1 d . U P D -4
O3D O 0.0507(14) 0.3030(13) 0.1532(10) 0.169(4) Uani 0.479(3) 1 d . U P D -4
O4D O 0.2338(13) 0.2772(18) 0.1746(13) 0.220(7) Uani 0.479(3) 1 d . U P D -4
O2D O 0.0945(15) 0.2235(13) 0.0454(8) 0.169(4) Uani 0.479(3) 1 d . U P D -4
Cl1E Cl 0.0068(14) -0.0012(15) 0.4913(9) 0.0970(15) Uani 0.521(3) 1 d . U P D
-5
O1E O -0.1096(13) -0.0226(18) 0.4404(13) 0.232(8) Uani 0.521(3) 1 d . U P D -5
O2E O 0.0399(14) 0.1184(10) 0.5055(13) 0.186(5) Uani 0.521(3) 1 d . U P D -5
O3E O -0.003(2) -0.0168(17) 0.5685(8) 0.224(9) Uani 0.521(3) 1 d . U P D -5
O4E O 0.0729(12) -0.0305(11) 0.4747(17) 0.199(7) Uani 0.521(3) 1 d . U P D -5
C18 C 0.1197(8) 0.3122(5) 0.8331(6) 0.084(2) Uani 0.534(6) 1 d G U P E 6
C19 C 0.0729(10) 0.2753(7) 0.7445(5) 0.093(4) Uani 0.534(6) 1 d G U P E 6
H19 H 0.075881 0.318531 0.706348 0.111 Uiso 0.534(6) 1 calc R U P E 6
C20 C 0.0218(10) 0.1746(8) 0.7123(4) 0.093(3) Uani 0.534(6) 1 d G U P E 6
H20 H -0.009793 0.149655 0.652409 0.112 Uiso 0.534(6) 1 calc R U P E 6
N1 N 0.0175(10) 0.1107(6) 0.7688(6) 0.088(4) Uani 0.534(6) 1 d G U P E 6
C21 C 0.0643(8) 0.1476(5) 0.8574(6) 0.095(3) Uani 0.534(6) 1 d G U P E 6
H21 H 0.061323 0.104398 0.895572 0.114 Uiso 0.534(6) 1 calc R U P E 6
C22 C 0.1154(7) 0.2483(5) 0.8896(4) 0.092(2) Uani 0.534(6) 1 d G U P E 6
H22 H 0.146998 0.273274 0.949513 0.110 Uiso 0.534(6) 1 calc R U P E 6
C17 C 0.1766(10) 0.4197(9) 0.8691(8) 0.095(2) Uani 0.534(6) 1 d . U P E 6
O4 O 0.1421(17) 0.4776(17) 0.8075(13) 0.099(4) Uani 0.534(6) 1 d . U P E 6
O13 O 0.2450(9) 0.4512(8) 0.9409(6) 0.134(3) Uani 0.534(6) 1 d . U P E 6
N1J N 0.0256(15) 0.1083(11) 0.7612(11) 0.089(3) Uani 0.466(6) 1 d . U P E -7
C1J C 0.0861(10) 0.4282(9) 0.8231(8) 0.084(2) Uani 0.466(6) 1 d . U P E -7
C2J C 0.0646(11) 0.3185(9) 0.8011(9) 0.078(2) Uani 0.466(6) 1 d . U P E -7
C3J C 0.0159(12) 0.2600(9) 0.8445(9) 0.101(3) Uani 0.466(6) 1 d . U P E -7
H3J H -0.002448 0.289733 0.890226 0.121 Uiso 0.466(6) 1 calc R U P E -7
C4J C -0.0059(14) 0.1565(10) 0.8201(11) 0.102(3) Uani 0.466(6) 1 d . U P E -7
H4J H -0.045693 0.118192 0.846968 0.123 Uiso 0.466(6) 1 calc R U P E -7
C5J C 0.0687(14) 0.1663(12) 0.7231(10) 0.093(3) Uani 0.466(6) 1 d . U P E -7
H5J H 0.087987 0.135771 0.678084 0.111 Uiso 0.466(6) 1 calc R U P E -7
C6J C 0.0906(18) 0.2706(13) 0.7406(11) 0.087(3) Uani 0.466(6) 1 d . U P E -7
H6J H 0.124135 0.306480 0.708695 0.105 Uiso 0.466(6) 1 calc R U P E -7
O1J O 0.0438(10) 0.4724(7) 0.8635(8) 0.125(3) Uani 0.466(6) 1 d . U P E -7
O2J O 0.1616(17) 0.4679(18) 0.7923(15) 0.085(3) Uani 0.466(6) 1 d . U P E -7


_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 N3 2.222(4) 2_565 ?
Ag1 N2 2.223(4) . ?
Ag1 N1 2.46(4) 2_556 ?
Ag1 O3E 2.591(10) 2_556 ?
Ag1 O1D 2.989(10) . ?
O1 C10 1.359(5) . ?
O1 C7 1.428(6) . ?
C1 C2 1.372(7) . ?
C1 C6 1.405(6) . ?
C1 C9 1.511(6) . ?
N2 C34 1.321(6) . ?
N2 C33 1.337(7) . ?
O2 C23 1.374(5) . ?
O2 C9 1.437(6) . ?
C2 C3 1.392(7) . ?
C2 H2 0.9400 . ?
C3 C4 1.382(7) . ?
C3 C8 1.504(7) . ?
O3 C36 1.374(6) . ?
O3 C8 1.439(6) . ?
N3 C46 1.322(6) . ?
N3 C47 1.351(7) . ?
C4 C5 1.392(6) . ?
C4 H4 0.9400 . ?
C5 C6 1.384(6) . ?
C5 C7 1.497(6) . ?
C6 H6 0.9400 . ?
O6 C30 1.310(6) . ?
O6 C29 1.479(6) . ?
C7 H7A 0.9800 . ?
C7 H7AB 0.9800 . ?
O7 C30 1.200(6) . ?
C8 H8A 0.9800 . ?
C8 H8AB 0.9800 . ?
O8 C43 1.333(5) . ?
O8 C42 1.464(6) . ?
O9 C43 1.188(6) . ?
C9 H9A 0.9800 . ?
C9 H9AB 0.9800 . ?
C10 C11 1.371(7) . ?
C10 C15 1.403(7) . ?
C12 C11 1.378(7) . ?
C12 C13 1.381(8) . ?
C12 H12 0.9400 . ?
C11 H11 0.9400 . ?
C13 C14 1.389(8) . ?
C13 C16 1.482(7) . ?
C14 C15 1.367(7) . ?
C14 H14 0.9400 . ?
C15 H15 0.9400 . ?
C16 O4 1.43(2) . ?
C16 O2J 1.51(2) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C23 C28 1.374(6) . ?
C23 C24 1.389(7) . ?
C24 C25 1.369(7) . ?
C24 H24 0.9400 . ?
C25 C26 1.377(7) . ?
C25 H25 0.9400 . ?
C26 C27 1.374(7) . ?
C26 C29 1.517(7) . ?
C27 C28 1.380(7) . ?
C27 H27 0.9400 . ?
C28 H28 0.9400 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C30 C31 1.501(7) . ?
C31 C32 1.377(7) . ?
C31 C35 1.378(6) . ?
C32 C33 1.365(8) . ?
C32 H32 0.9400 . ?
C33 H33 0.9400 . ?
C34 C35 1.377(7) . ?
C34 H34 0.9400 . ?
C35 H35 0.9400 . ?
C36 C41 1.374(7) . ?
C36 C37 1.379(7) . ?
C37 C38 1.370(7) . ?
C37 H37 0.9400 . ?
C38 C39 1.372(7) . ?
C38 H38 0.9400 . ?
C39 C40 1.371(8) . ?
C39 C42 1.507(7) . ?
C40 C41 1.380(8) . ?
C40 H40 0.9400 . ?
C41 H41 0.9400 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C43 C44 1.493(7) . ?
C44 C48 1.378(7) . ?
C44 C45 1.388(6) . ?
C45 C46 1.370(7) . ?
C45 H45 0.9400 . ?
C46 H46 0.9400 . ?
C47 C48 1.371(7) . ?
C47 H47 0.9400 . ?
C48 H48 0.9400 . ?
C1A C2A 1.3900 . ?
C1A C6A 1.3900 . ?
C1A C7A 1.55(2) . ?
C2A C3A 1.3900 . ?
C2A C8A 1.515(19) . ?
C3A C4A 1.3900 . ?
C3A H3A 0.9400 . ?
C4A C5A 1.3900 . ?
C4A H4A 0.9400 . ?
C5A C6A 1.3900 . ?
C5A H5A 0.9400 . ?
C6A H6A 0.9400 . ?
C7A H7AA 0.9700 . ?
C7A H7AC 0.9700 . ?
C7A H7AD 0.9700 . ?
C8A H8AA 0.9700 . ?
C8A H8AC 0.9700 . ?
C8A H8AD 0.9700 . ?
C1B C2B 1.3900 . ?
C1B C6B 1.3900 . ?
C1B H1B 0.9400 . ?
C2B C3B 1.3900 . ?
C2B H2B 0.9400 . ?
C3B C4B 1.3900 . ?
C3B H3B 0.9400 . ?
C4B C5B 1.3900 . ?
C4B C8B 1.45(2) . ?
C5B C6B 1.3900 . ?
C5B C7B 1.56(2) . ?
C6B H6B 0.9400 . ?
C7B H7BA 0.9700 . ?
C7B H7BB 0.9700 . ?
C7B H7BC 0.9700 . ?
C8B H8BA 0.9700 . ?
C8B H8BB 0.9700 . ?
C8B H8BC 0.9700 . ?
C1C C2C 1.3900 . ?
C1C C6C 1.3900 . ?
C1C C7C 1.41(3) . ?
C2C C3C 1.3900 . ?
C2C C8C 1.540(10) . ?
C3C C4C 1.3900 . ?
C3C H3C 0.9400 . ?
C4C C5C 1.3900 . ?
C4C H4C 0.9400 . ?
C5C C6C 1.3900 . ?
C5C H5C 0.9400 . ?
C6C H6C 0.9400 . ?
C8C H8C1 0.9700 . ?
C8C H8C2 0.9700 . ?
C8C H8C3 0.9700 . ?
C7C H7C1 0.9700 . ?
C7C H7C2 0.9700 . ?
C7C H7C3 0.9700 . ?
Cl1D O2D 1.353(12) . ?
Cl1D O4D 1.359(15) . ?
Cl1D O3D 1.416(16) . ?
Cl1D O1D 1.475(14) . ?
Cl1E O4E 1.087(19) . ?
Cl1E O3E 1.388(10) . ?
Cl1E O1E 1.39(2) . ?
Cl1E O2E 1.60(2) . ?
C18 C19 1.3900 . ?
C18 C22 1.3900 . ?
C18 C17 1.491(13) . ?
C19 C20 1.3900 . ?
C19 H19 0.9400 . ?
C20 N1 1.3900 . ?
C20 H20 0.9400 . ?
N1 C21 1.3900 . ?
C21 C22 1.3900 . ?
C21 H21 0.9400 . ?
C22 H22 0.9400 . ?
C17 O13 1.194(14) . ?
C17 O4 1.39(3) . ?
N1J C5J 1.267(19) . ?
N1J C4J 1.33(2) . ?
C1J O1J 1.167(13) . ?
C1J O2J 1.32(2) . ?
C1J C2J 1.469(17) . ?
C2J C6J 1.30(2) . ?
C2J C3J 1.375(16) . ?
C3J C4J 1.388(19) . ?
C3J H3J 0.9400 . ?
C4J H4J 0.9400 . ?
C5J C6J 1.39(2) . ?
C5J H5J 0.9400 . ?
C6J H6J 0.9400 . ?

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
N3 Ag1 N2 151.61(15) 2_565 . ?
N3 Ag1 N1 105.5(15) 2_565 2_556 ?
N2 Ag1 N1 102.1(15) . 2_556 ?
N3 Ag1 O3E 95.9(6) 2_565 2_556 ?
N2 Ag1 O3E 91.5(5) . 2_556 ?
N3 Ag1 O1D 87.6(3) 2_565 . ?
N2 Ag1 O1D 82.7(3) . . ?
C10 O1 C7 116.9(3) . . ?
C2 C1 C6 119.8(4) . . ?
C2 C1 C9 119.4(4) . . ?
C6 C1 C9 120.8(4) . . ?
C34 N2 C33 117.6(4) . . ?
C34 N2 Ag1 123.8(3) . . ?
C33 N2 Ag1 118.3(3) . . ?
C23 O2 C9 117.9(3) . . ?
C1 C2 C3 120.7(4) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 H2 119.7 . . ?
C4 C3 C2 119.0(4) . . ?
C4 C3 C8 120.6(4) . . ?
C2 C3 C8 120.3(4) . . ?
C36 O3 C8 117.1(4) . . ?
C46 N3 C47 117.4(4) . . ?
C46 N3 Ag1 122.2(3) . 2_565 ?
C47 N3 Ag1 118.8(3) . 2_565 ?
C3 C4 C5 121.4(4) . . ?
C3 C4 H4 119.3 . . ?
C5 C4 H4 119.3 . . ?
C6 C5 C4 119.0(4) . . ?
C6 C5 C7 122.5(4) . . ?
C4 C5 C7 118.5(4) . . ?
C5 C6 C1 120.1(4) . . ?
C5 C6 H6 119.9 . . ?
C1 C6 H6 119.9 . . ?
C30 O6 C29 115.7(4) . . ?
O1 C7 C5 109.2(3) . . ?
O1 C7 H7A 109.8 . . ?
C5 C7 H7A 109.8 . . ?
O1 C7 H7AB 109.8 . . ?
C5 C7 H7AB 109.8 . . ?
H7A C7 H7AB 108.3 . . ?
O3 C8 C3 106.8(4) . . ?
O3 C8 H8A 110.4 . . ?
C3 C8 H8A 110.4 . . ?
O3 C8 H8AB 110.4 . . ?
C3 C8 H8AB 110.4 . . ?
H8A C8 H8AB 108.6 . . ?
C43 O8 C42 115.9(4) . . ?
O2 C9 C1 112.1(4) . . ?
O2 C9 H9A 109.2 . . ?
C1 C9 H9A 109.2 . . ?
O2 C9 H9AB 109.2 . . ?
C1 C9 H9AB 109.2 . . ?
H9A C9 H9AB 107.9 . . ?
O1 C10 C11 125.5(5) . . ?
O1 C10 C15 115.2(4) . . ?
C11 C10 C15 119.3(4) . . ?
C11 C12 C13 121.6(5) . . ?
C11 C12 H12 119.2 . . ?
C13 C12 H12 119.2 . . ?
C10 C11 C12 120.2(5) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C12 C13 C14 117.5(5) . . ?
C12 C13 C16 121.0(5) . . ?
C14 C13 C16 121.4(6) . . ?
C15 C14 C13 121.9(5) . . ?
C15 C14 H14 119.1 . . ?
C13 C14 H14 119.1 . . ?
C14 C15 C10 119.4(5) . . ?
C14 C15 H15 120.3 . . ?
C10 C15 H15 120.3 . . ?
O4 C16 C13 116.0(7) . . ?
C13 C16 O2J 99.3(8) . . ?
O4 C16 H16A 108.3 . . ?
C13 C16 H16A 108.3 . . ?
O4 C16 H16B 108.3 . . ?
C13 C16 H16B 108.3 . . ?
H16A C16 H16B 107.4 . . ?
C28 C23 O2 124.4(4) . . ?
C28 C23 C24 119.2(4) . . ?
O2 C23 C24 116.4(4) . . ?
C25 C24 C23 119.8(4) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C24 C25 C26 121.5(5) . . ?
C24 C25 H25 119.2 . . ?
C26 C25 H25 119.2 . . ?
C27 C26 C25 118.1(4) . . ?
C27 C26 C29 119.9(4) . . ?
C25 C26 C29 122.0(5) . . ?
C26 C27 C28 121.4(4) . . ?
C26 C27 H27 119.3 . . ?
C28 C27 H27 119.3 . . ?
C23 C28 C27 119.9(4) . . ?
C23 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
O6 C29 C26 109.7(4) . . ?
O6 C29 H29A 109.7 . . ?
C26 C29 H29A 109.7 . . ?
O6 C29 H29B 109.7 . . ?
C26 C29 H29B 109.7 . . ?
H29A C29 H29B 108.2 . . ?
O7 C30 O6 124.8(5) . . ?
O7 C30 C31 123.2(5) . . ?
O6 C30 C31 112.0(4) . . ?
C32 C31 C35 117.9(4) . . ?
C32 C31 C30 118.4(4) . . ?
C35 C31 C30 123.6(4) . . ?
C33 C32 C31 119.2(5) . . ?
C33 C32 H32 120.4 . . ?
C31 C32 H32 120.4 . . ?
N2 C33 C32 123.1(5) . . ?
N2 C33 H33 118.4 . . ?
C32 C33 H33 118.4 . . ?
N2 C34 C35 122.9(4) . . ?
N2 C34 H34 118.5 . . ?
C35 C34 H34 118.5 . . ?
C34 C35 C31 119.2(4) . . ?
C34 C35 H35 120.4 . . ?
C31 C35 H35 120.4 . . ?
O3 C36 C41 124.2(4) . . ?
O3 C36 C37 115.7(4) . . ?
C41 C36 C37 120.1(5) . . ?
C38 C37 C36 119.9(5) . . ?
C38 C37 H37 120.1 . . ?
C36 C37 H37 120.1 . . ?
C37 C38 C39 121.5(5) . . ?
C37 C38 H38 119.2 . . ?
C39 C38 H38 119.2 . . ?
C40 C39 C38 117.5(5) . . ?
C40 C39 C42 122.1(5) . . ?
C38 C39 C42 120.4(5) . . ?
C39 C40 C41 122.7(5) . . ?
C39 C40 H40 118.6 . . ?
C41 C40 H40 118.6 . . ?
C36 C41 C40 118.3(5) . . ?
C36 C41 H41 120.8 . . ?
C40 C41 H41 120.8 . . ?
O8 C42 C39 106.7(4) . . ?
O8 C42 H42A 110.4 . . ?
C39 C42 H42A 110.4 . . ?
O8 C42 H42B 110.4 . . ?
C39 C42 H42B 110.4 . . ?
H42A C42 H42B 108.6 . . ?
O9 C43 O8 124.4(5) . . ?
O9 C43 C44 123.9(4) . . ?
O8 C43 C44 111.7(4) . . ?
C48 C44 C45 117.7(5) . . ?
C48 C44 C43 123.2(4) . . ?
C45 C44 C43 119.0(4) . . ?
C46 C45 C44 119.6(5) . . ?
C46 C45 H45 120.2 . . ?
C44 C45 H45 120.2 . . ?
N3 C46 C45 123.1(4) . . ?
N3 C46 H46 118.5 . . ?
C45 C46 H46 118.5 . . ?
N3 C47 C48 122.9(5) . . ?
N3 C47 H47 118.5 . . ?
C48 C47 H47 118.5 . . ?
C47 C48 C44 119.2(5) . . ?
C47 C48 H48 120.4 . . ?
C44 C48 H48 120.4 . . ?
C2A C1A C6A 120.0 . . ?
C2A C1A C7A 119.0(11) . . ?
C6A C1A C7A 120.7(11) . . ?
C3A C2A C1A 120.0 . . ?
C3A C2A C8A 122.3(11) . . ?
C1A C2A C8A 117.6(11) . . ?
C2A C3A C4A 120.0 . . ?
C2A C3A H3A 120.0 . . ?
C4A C3A H3A 120.0 . . ?
C3A C4A C5A 120.0 . . ?
C3A C4A H4A 120.0 . . ?
C5A C4A H4A 120.0 . . ?
C6A C5A C4A 120.0 . . ?
C6A C5A H5A 120.0 . . ?
C4A C5A H5A 120.0 . . ?
C5A C6A C1A 120.0 . . ?
C5A C6A H6A 120.0 . . ?
C1A C6A H6A 120.0 . . ?
C1A C7A H7AA 109.5 . . ?
C1A C7A H7AC 109.5 . . ?
H7AA C7A H7AC 109.5 . . ?
C1A C7A H7AD 109.5 . . ?
H7AA C7A H7AD 109.5 . . ?
H7AC C7A H7AD 109.5 . . ?
C2A C8A H8AA 109.5 . . ?
C2A C8A H8AC 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
C2A C8A H8AD 109.5 . . ?
H8AA C8A H8AD 109.5 . . ?
H8AC C8A H8AD 109.5 . . ?
C2B C1B C6B 120.0 . . ?
C2B C1B H1B 120.0 . . ?
C6B C1B H1B 120.0 . . ?
C1B C2B C3B 120.0 . . ?
C1B C2B H2B 120.0 . . ?
C3B C2B H2B 120.0 . . ?
C4B C3B C2B 120.0 . . ?
C4B C3B H3B 120.0 . . ?
C2B C3B H3B 120.0 . . ?
C5B C4B C3B 120.0 . . ?
C5B C4B C8B 121.8(15) . . ?
C3B C4B C8B 118.0(15) . . ?
C4B C5B C6B 120.0 . . ?
C4B C5B C7B 120.7(11) . . ?
C6B C5B C7B 119.2(11) . . ?
C5B C6B C1B 120.0 . . ?
C5B C6B H6B 120.0 . . ?
C1B C6B H6B 120.0 . . ?
C5B C7B H7BA 109.5 . . ?
C5B C7B H7BB 109.5 . . ?
H7BA C7B H7BB 109.5 . . ?
C5B C7B H7BC 109.5 . . ?
H7BA C7B H7BC 109.5 . . ?
H7BB C7B H7BC 109.5 . . ?
C4B C8B H8BA 109.5 . . ?
C4B C8B H8BB 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
C4B C8B H8BC 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BB C8B H8BC 109.5 . . ?
C2C C1C C6C 120.0 . . ?
C2C C1C C7C 107.3(15) . . ?
C6C C1C C7C 132.5(15) . . ?
C3C C2C C1C 120.0 . . ?
C3C C2C C8C 134.9(14) . . ?
C1C C2C C8C 105.0(14) . . ?
C2C C3C C4C 120.0 . . ?
C2C C3C H3C 120.0 . . ?
C4C C3C H3C 120.0 . . ?
C3C C4C C5C 120.0 . . ?
C3C C4C H4C 120.0 . . ?
C5C C4C H4C 120.0 . . ?
C6C C5C C4C 120.0 . . ?
C6C C5C H5C 120.0 . . ?
C4C C5C H5C 120.0 . . ?
C5C C6C C1C 120.0 . . ?
C5C C6C H6C 120.0 . . ?
C1C C6C H6C 120.0 . . ?
C2C C8C H8C1 109.5 . . ?
C2C C8C H8C2 109.5 . . ?
H8C1 C8C H8C2 109.5 . . ?
C2C C8C H8C3 109.5 . . ?
H8C1 C8C H8C3 109.5 . . ?
H8C2 C8C H8C3 109.5 . . ?
C1C C7C H7C1 109.5 . . ?
C1C C7C H7C2 109.5 . . ?
H7C1 C7C H7C2 109.5 . . ?
C1C C7C H7C3 109.5 . . ?
H7C1 C7C H7C3 109.5 . . ?
H7C2 C7C H7C3 109.5 . . ?
O2D Cl1D O4D 110.0(12) . . ?
O2D Cl1D O3D 110.1(10) . . ?
O4D Cl1D O3D 113.5(14) . . ?
O2D Cl1D O1D 107.8(10) . . ?
O4D Cl1D O1D 109.9(11) . . ?
O3D Cl1D O1D 105.4(8) . . ?
Cl1D O1D Ag1 139.3(8) . . ?
O4E Cl1E O3E 117(2) . . ?
O4E Cl1E O1E 126.0(17) . . ?
O3E Cl1E O1E 98.0(12) . . ?
O4E Cl1E O2E 107.1(14) . . ?
O3E Cl1E O2E 103.5(13) . . ?
O1E Cl1E O2E 102.6(16) . . ?
C19 C18 C22 120.0 . . ?
C19 C18 C17 120.9(7) . . ?
C22 C18 C17 119.1(7) . . ?
C18 C19 C20 120.0 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
N1 C20 C19 120.0 . . ?
N1 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 N1 C21 120.0 . . ?
N1 C21 C22 120.0 . . ?
N1 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 C18 120.0 . . ?
C21 C22 H22 120.0 . . ?
C18 C22 H22 120.0 . . ?
O13 C17 O4 124.5(14) . . ?
O13 C17 C18 124.4(12) . . ?
O4 C17 C18 111.0(12) . . ?
C17 O4 C16 124.1(17) . . ?
C5J N1J C4J 112.9(14) . . ?
O1J C1J O2J 125.9(14) . . ?
O1J C1J C2J 124.0(11) . . ?
O2J C1J C2J 110.1(12) . . ?
C6J C2J C3J 115.9(13) . . ?
C6J C2J C1J 122.8(12) . . ?
C3J C2J C1J 121.3(11) . . ?
C2J C3J C4J 119.4(12) . . ?
C2J C3J H3J 120.3 . . ?
C4J C3J H3J 120.3 . . ?
N1J C4J C3J 124.2(13) . . ?
N1J C4J H4J 117.9 . . ?
C3J C4J H4J 117.9 . . ?
N1J C5J C6J 127.0(16) . . ?
N1J C5J H5J 116.5 . . ?
C6J C5J H5J 116.5 . . ?
C2J C6J C5J 120.2(15) . . ?
C2J C6J H6J 119.9 . . ?
C5J C6J H6J 119.9 . . ?
C1J O2J C16 112.4(12) . . ?

_refine_diff_density_max         0.965
_refine_diff_density_min         -0.848
_refine_diff_density_rms         0.065

