# Electronic Supplementary Material (ESI) for ChemComm.
# 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. 
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data_1-AgBTB
_database_code_depnum_ccdc_archive 'CCDC 2000395'
_audit_update_record             
;
2020-06-04 deposited with the CCDC.	2020-06-19 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            'C216 H131.20 Ag24 O53.60'
_chemical_formula_weight         6172.88

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.9078 1.0766 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0105 0.0059 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 2/a'
_space_group_name_Hall           '-I 2ya'

_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+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   34.285(7)
_cell_length_b                   5.9340(12)
_cell_length_c                   39.220(18)
_cell_angle_alpha                90
_cell_angle_beta                 104.56(3)
_cell_angle_gamma                90
_cell_volume                     7723(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    48863
_cell_measurement_theta_min      2.783
_cell_measurement_theta_max      25.997

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_F_000             2984
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.022
_exptl_absorpt_coefficient_mu    1.452
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.790
_exptl_absorpt_correction_T_max  0.969
_exptl_absorpt_process_details   HKL3000
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.700
_diffrn_radiation_type           synchrotron
_diffrn_source                   'PLSII 2D bending magnet'
_diffrn_measurement_device_type  'ADSC Q210 CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23071
_diffrn_reflns_av_unetI/netI     0.0744
_diffrn_reflns_av_R_equivalents  0.0931
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_theta_min         2.783
_diffrn_reflns_theta_max         25.997
_diffrn_reflns_theta_full        24.835
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measured_fraction_theta_full 0.962
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_Laue_measured_fraction_full 0.962
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_point_group_measured_fraction_full 0.962
_reflns_number_total             7571
_reflns_number_gt                3396
_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.
 
 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.
;

_computing_data_collection       'PAL BL2D-SMDC Program'
_computing_cell_refinement       HKL3000
_computing_data_reduction        HKL3000
_computing_structure_solution    SHELXS
_computing_structure_refinement  SHELXL
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_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)+(0.1563P)²] 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     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0013(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         7571
_refine_ls_number_parameters     335
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1264
_refine_ls_R_factor_gt           0.0768
_refine_ls_wR_factor_ref         0.2533
_refine_ls_wR_factor_gt          0.2134
_refine_ls_goodness_of_fit_ref   0.905
_refine_ls_restrained_S_all      0.905
_refine_ls_shift/su_max          0.001
_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 0.03281(4) -0.9312(2) -0.01292(4) 0.2332(8) Uani 1 1 d . . . . .
Ag2 Ag 0.28873(2) 1.29123(12) 0.22708(2) 0.1209(4) Uani 1 1 d . . . . .
Ag3 Ag 0.32894(2) 0.86664(12) 0.22828(2) 0.1240(4) Uani 1 1 d . . . . .
O1 O 0.0344(3) -0.6685(15) 0.0267(3) 0.192(4) Uani 1 1 d . . . . .
O1W O 0.0975(6) -0.817(5) -0.0263(6) 0.352(13) Uani 0.7016 1 d . . P . .
O2 O -0.0220(3) -0.7467(13) 0.0390(2) 0.167(3) Uani 1 1 d . . . . .
O3 O 0.23788(14) 1.0508(8) 0.22131(14) 0.1033(15) Uani 1 1 d . . . . .
O4 O 0.26739(15) 0.7348(8) 0.20925(17) 0.1164(18) Uani 1 1 d . . . . .
O5 O -0.15302(16) 0.5655(9) 0.22344(16) 0.1145(17) Uani 1 1 d . . . . .
O6 O -0.12244(15) 0.8939(9) 0.23153(16) 0.1113(16) Uani 1 1 d . . . . .
C1 C 0.0375(2) 0.1096(12) 0.1402(2) 0.101(2) Uani 1 1 d . . . . .
C2 C 0.0734(2) 0.2188(12) 0.1493(2) 0.096(2) Uani 1 1 d . . . . .
H2 H 0.093540 0.175386 0.138542 0.115 Uiso 1 1 calc R U . . .
C3 C 0.0816(2) 0.3958(11) 0.17421(19) 0.0855(18) Uani 1 1 d . . . . .
C4 C 0.0516(2) 0.4566(11) 0.1896(2) 0.0904(19) Uani 1 1 d . . . . .
H4 H 0.056477 0.571844 0.206157 0.108 Uiso 1 1 calc R U . . .
C5 C 0.0142(2) 0.3532(11) 0.18135(19) 0.0862(18) Uani 1 1 d . . . . .
C6 C 0.0076(2) 0.1780(12) 0.1570(2) 0.101(2) Uani 1 1 d . . . . .
H6 H -0.017172 0.104384 0.151700 0.121 Uiso 1 1 calc R U . . .
C7 C 0.0301(2) -0.0799(13) 0.1151(2) 0.104(2) Uani 1 1 d . . . . .
C8 C 0.0529(4) -0.101(2) 0.0907(4) 0.186(6) Uani 1 1 d . . . . .
H8 H 0.072355 0.004692 0.089039 0.223 Uiso 1 1 calc R U . . .
C9 C 0.0451(4) -0.290(2) 0.0686(4) 0.194(7) Uani 1 1 d . . . . .
H9 H 0.062856 -0.316618 0.054607 0.233 Uiso 1 1 calc R U . . .
C10 C 0.0148(3) -0.4367(16) 0.0656(3) 0.131(3) Uani 1 1 d . . . . .
C11 C -0.0074(3) -0.4081(14) 0.0895(3) 0.131(3) Uani 1 1 d . . . . .
H11 H -0.028051 -0.509386 0.089837 0.157 Uiso 1 1 calc R U . . .
C12 C -0.0002(3) -0.2340(14) 0.1132(3) 0.127(3) Uani 1 1 d . . . . .
H12 H -0.016615 -0.219462 0.128665 0.152 Uiso 1 1 calc R U . . .
C13 C 0.0096(4) -0.6349(19) 0.0416(4) 0.154(4) Uani 1 1 d . . . . .
C14 C 0.12166(19) 0.5140(11) 0.1825(2) 0.0912(19) Uani 1 1 d . . . . .
C15 C 0.1256(2) 0.7324(11) 0.1966(2) 0.101(2) Uani 1 1 d . . . . .
H15 H 0.102965 0.806386 0.199848 0.121 Uiso 1 1 calc R U . . .
C16 C 0.1625(2) 0.8402(11) 0.2056(2) 0.094(2) Uani 1 1 d . . . . .
H16 H 0.164190 0.984773 0.214992 0.113 Uiso 1 1 calc R U . . .
C17 C 0.1971(2) 0.7362(10) 0.2009(2) 0.091(2) Uani 1 1 d . . . . .
C18 C 0.1929(2) 0.5202(12) 0.1856(2) 0.109(2) Uani 1 1 d . . . . .
H18 H 0.215093 0.449171 0.180860 0.131 Uiso 1 1 calc R U . . .
C19 C 0.1559(2) 0.4125(11) 0.1776(2) 0.098(2) Uani 1 1 d . . . . .
H19 H 0.154125 0.266830 0.168610 0.117 Uiso 1 1 calc R U . . .
C20 C 0.2362(2) 0.8442(12) 0.2107(2) 0.098(2) Uani 1 1 d . . . . .
C21 C -0.0192(2) 0.4306(12) 0.1959(2) 0.0893(19) Uani 1 1 d . . . . .
C22 C -0.0520(3) 0.3007(14) 0.1945(3) 0.145(4) Uani 1 1 d . . . . .
H22 H -0.052180 0.153919 0.186163 0.174 Uiso 1 1 calc R U . . .
C23 C -0.0860(3) 0.3782(14) 0.2051(3) 0.144(4) Uani 1 1 d . . . . .
H23 H -0.108189 0.285004 0.203277 0.173 Uiso 1 1 calc R U . . .
C24 C -0.0859(2) 0.5927(12) 0.2181(2) 0.095(2) Uani 1 1 d . . . . .
C25 C -0.0518(2) 0.7182(13) 0.2221(2) 0.107(2) Uani 1 1 d . . . . .
H25 H -0.050311 0.859164 0.232704 0.129 Uiso 1 1 calc R U . . .
C26 C -0.0190(2) 0.6394(13) 0.2106(2) 0.103(2) Uani 1 1 d . . . . .
H26 H 0.003552 0.731017 0.212888 0.124 Uiso 1 1 calc R U . . .
C27 C -0.1240(2) 0.6918(14) 0.2251(2) 0.097(2) 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 O2 2.156(7) 5_535 ?
Ag1 O1 2.193(7) . ?
Ag1 O1W 2.50(2) . ?
Ag1 Ag1 2.811(3) 5_535 ?
Ag2 O5 2.208(5) 6_675 ?
Ag2 O3 2.220(5) . ?
Ag2 O3 2.596(5) 7_575 ?
Ag2 Ag3 2.8668(12) . ?
Ag3 O6 2.170(5) 6_675 ?
Ag3 O4 2.198(5) . ?
O1 C13 1.162(13) . ?
O2 C13 1.254(14) . ?
O3 C20 1.291(8) . ?
O4 C20 1.265(9) . ?
O5 C27 1.235(9) . ?
O6 C27 1.224(9) . ?
C1 C2 1.358(10) . ?
C1 C6 1.411(10) . ?
C1 C7 1.475(10) . ?
C2 C3 1.415(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.364(9) . ?
C3 C14 1.503(9) . ?
C4 C5 1.384(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.390(10) . ?
C5 C21 1.479(9) . ?
C6 H6 0.9300 . ?
C7 C12 1.372(11) . ?
C7 C8 1.386(13) . ?
C8 C9 1.402(13) . ?
C8 H8 0.9300 . ?
C9 C10 1.337(13) . ?
C9 H9 0.9300 . ?
C10 C11 1.360(13) . ?
C10 C13 1.489(13) . ?
C11 C12 1.369(11) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C14 C19 1.375(9) . ?
C14 C15 1.401(9) . ?
C15 C16 1.380(9) . ?
C15 H15 0.9300 . ?
C16 C17 1.391(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.406(10) . ?
C17 C20 1.448(10) . ?
C18 C19 1.383(10) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C21 C22 1.353(10) . ?
C21 C26 1.364(10) . ?
C22 C23 1.407(12) . ?
C22 H22 0.9300 . ?
C23 C24 1.371(11) . ?
C23 H23 0.9300 . ?
C24 C25 1.363(10) . ?
C24 C27 1.518(10) . ?
C25 C26 1.394(10) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?

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
O2 Ag1 O1 159.7(4) 5_535 . ?
O2 Ag1 O1W 101.3(7) 5_535 . ?
O1 Ag1 O1W 95.2(7) . . ?
O2 Ag1 Ag1 81.8(2) 5_535 5_535 ?
O1 Ag1 Ag1 80.2(3) . 5_535 ?
O1W Ag1 Ag1 171.1(5) . 5_535 ?
O5 Ag2 O3 160.20(19) 6_675 . ?
O5 Ag2 O3 114.36(18) 6_675 7_575 ?
O3 Ag2 O3 83.71(18) . 7_575 ?
O5 Ag2 Ag3 84.28(14) 6_675 . ?
O3 Ag2 Ag3 78.41(13) . . ?
O3 Ag2 Ag3 124.50(12) 7_575 . ?
O6 Ag3 O4 155.6(2) 6_675 . ?
O6 Ag3 Ag2 77.55(14) 6_675 . ?
O4 Ag3 Ag2 83.71(14) . . ?
C13 O1 Ag1 125.9(9) . . ?
C13 O2 Ag1 123.2(7) . 5_535 ?
C20 O3 Ag2 127.9(5) . . ?
C20 O3 Ag2 126.7(5) . 7_575 ?
Ag2 O3 Ag2 96.29(18) . 7_575 ?
C20 O4 Ag3 123.5(5) . . ?
C27 O5 Ag2 119.6(5) . 6_575 ?
C27 O6 Ag3 129.6(5) . 6_575 ?
C2 C1 C6 117.4(7) . . ?
C2 C1 C7 122.0(7) . . ?
C6 C1 C7 120.6(7) . . ?
C1 C2 C3 122.9(7) . . ?
C1 C2 H2 118.5 . . ?
C3 C2 H2 118.5 . . ?
C4 C3 C2 117.5(6) . . ?
C4 C3 C14 122.0(6) . . ?
C2 C3 C14 120.5(6) . . ?
C3 C4 C5 122.5(7) . . ?
C3 C4 H4 118.8 . . ?
C5 C4 H4 118.8 . . ?
C4 C5 C6 118.3(6) . . ?
C4 C5 C21 122.4(6) . . ?
C6 C5 C21 119.2(6) . . ?
C5 C6 C1 121.4(7) . . ?
C5 C6 H6 119.3 . . ?
C1 C6 H6 119.3 . . ?
C12 C7 C8 116.9(8) . . ?
C12 C7 C1 123.1(8) . . ?
C8 C7 C1 119.9(8) . . ?
C7 C8 C9 116.5(10) . . ?
C7 C8 H8 121.7 . . ?
C9 C8 H8 121.7 . . ?
C10 C9 C8 126.8(10) . . ?
C10 C9 H9 116.6 . . ?
C8 C9 H9 116.6 . . ?
C9 C10 C11 114.5(9) . . ?
C9 C10 C13 122.4(11) . . ?
C11 C10 C13 122.4(10) . . ?
C10 C11 C12 121.6(9) . . ?
C10 C11 H11 119.2 . . ?
C12 C11 H11 119.2 . . ?
C11 C12 C7 123.1(9) . . ?
C11 C12 H12 118.4 . . ?
C7 C12 H12 118.4 . . ?
O1 C13 O2 126.6(11) . . ?
O1 C13 C10 117.8(12) . . ?
O2 C13 C10 115.6(11) . . ?
C19 C14 C15 117.2(6) . . ?
C19 C14 C3 122.0(6) . . ?
C15 C14 C3 120.7(6) . . ?
C16 C15 C14 121.5(6) . . ?
C16 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
C15 C16 C17 121.1(6) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 H16 119.4 . . ?
C16 C17 C18 117.4(6) . . ?
C16 C17 C20 122.1(6) . . ?
C18 C17 C20 120.5(6) . . ?
C19 C18 C17 120.6(6) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C14 C19 C18 122.1(6) . . ?
C14 C19 H19 118.9 . . ?
C18 C19 H19 118.9 . . ?
O4 C20 O3 122.2(7) . . ?
O4 C20 C17 119.8(6) . . ?
O3 C20 C17 118.1(6) . . ?
C22 C21 C26 116.9(7) . . ?
C22 C21 C5 121.7(7) . . ?
C26 C21 C5 121.4(6) . . ?
C21 C22 C23 122.8(8) . . ?
C21 C22 H22 118.6 . . ?
C23 C22 H22 118.6 . . ?
C24 C23 C22 119.3(8) . . ?
C24 C23 H23 120.3 . . ?
C22 C23 H23 120.3 . . ?
C25 C24 C23 118.1(7) . . ?
C25 C24 C27 121.3(7) . . ?
C23 C24 C27 120.4(7) . . ?
C24 C25 C26 121.3(7) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 H25 119.4 . . ?
C21 C26 C25 121.4(7) . . ?
C21 C26 H26 119.3 . . ?
C25 C26 H26 119.3 . . ?
O6 C27 O5 126.7(7) . . ?
O6 C27 C24 115.0(6) . . ?
O5 C27 C24 118.3(7) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -0.3(12) . . . . ?
C7 C1 C2 C3 -177.8(8) . . . . ?
C1 C2 C3 C4 0.0(11) . . . . ?
C1 C2 C3 C14 -178.6(7) . . . . ?
C2 C3 C4 C5 -0.5(11) . . . . ?
C14 C3 C4 C5 178.1(7) . . . . ?
C3 C4 C5 C6 1.3(11) . . . . ?
C3 C4 C5 C21 -175.2(7) . . . . ?
C4 C5 C6 C1 -1.6(12) . . . . ?
C21 C5 C6 C1 175.0(7) . . . . ?
C2 C1 C6 C5 1.2(12) . . . . ?
C7 C1 C6 C5 178.7(8) . . . . ?
C2 C1 C7 C12 160.1(9) . . . . ?
C6 C1 C7 C12 -17.3(13) . . . . ?
C2 C1 C7 C8 -23.4(14) . . . . ?
C6 C1 C7 C8 159.2(11) . . . . ?
C12 C7 C8 C9 -5.7(19) . . . . ?
C1 C7 C8 C9 177.6(12) . . . . ?
C7 C8 C9 C10 9(3) . . . . ?
C8 C9 C10 C11 -8(2) . . . . ?
C8 C9 C10 C13 -179.1(15) . . . . ?
C9 C10 C11 C12 3.7(18) . . . . ?
C13 C10 C11 C12 175.0(11) . . . . ?
C10 C11 C12 C7 -1.5(17) . . . . ?
C8 C7 C12 C11 2.5(16) . . . . ?
C1 C7 C12 C11 179.1(9) . . . . ?
Ag1 O1 C13 O2 3(2) . . . . ?
Ag1 O1 C13 C10 -175.3(9) . . . . ?
Ag1 O2 C13 O1 12(2) 5_535 . . . ?
Ag1 O2 C13 C10 -170.0(8) 5_535 . . . ?
C9 C10 C13 O1 5(2) . . . . ?
C11 C10 C13 O1 -166.0(14) . . . . ?
C9 C10 C13 O2 -173.9(14) . . . . ?
C11 C10 C13 O2 15.4(19) . . . . ?
C4 C3 C14 C19 156.9(7) . . . . ?
C2 C3 C14 C19 -24.6(11) . . . . ?
C4 C3 C14 C15 -21.6(11) . . . . ?
C2 C3 C14 C15 157.0(7) . . . . ?
C19 C14 C15 C16 -1.0(12) . . . . ?
C3 C14 C15 C16 177.5(7) . . . . ?
C14 C15 C16 C17 0.4(13) . . . . ?
C15 C16 C17 C18 1.8(12) . . . . ?
C15 C16 C17 C20 -178.9(8) . . . . ?
C16 C17 C18 C19 -3.6(12) . . . . ?
C20 C17 C18 C19 177.1(8) . . . . ?
C15 C14 C19 C18 -0.8(12) . . . . ?
C3 C14 C19 C18 -179.3(7) . . . . ?
C17 C18 C19 C14 3.1(12) . . . . ?
Ag3 O4 C20 O3 5.3(12) . . . . ?
Ag3 O4 C20 C17 -173.8(5) . . . . ?
Ag2 O3 C20 O4 15.7(12) . . . . ?
Ag2 O3 C20 O4 -123.1(7) 7_575 . . . ?
Ag2 O3 C20 C17 -165.2(5) . . . . ?
Ag2 O3 C20 C17 56.0(10) 7_575 . . . ?
C16 C17 C20 O4 172.9(8) . . . . ?
C18 C17 C20 O4 -7.8(12) . . . . ?
C16 C17 C20 O3 -6.2(12) . . . . ?
C18 C17 C20 O3 173.1(8) . . . . ?
C4 C5 C21 C22 -164.5(9) . . . . ?
C6 C5 C21 C22 19.0(12) . . . . ?
C4 C5 C21 C26 17.4(12) . . . . ?
C6 C5 C21 C26 -159.0(8) . . . . ?
C26 C21 C22 C23 4.4(16) . . . . ?
C5 C21 C22 C23 -173.8(10) . . . . ?
C21 C22 C23 C24 -1.3(18) . . . . ?
C22 C23 C24 C25 -3.6(16) . . . . ?
C22 C23 C24 C27 171.7(10) . . . . ?
C23 C24 C25 C26 5.3(14) . . . . ?
C27 C24 C25 C26 -169.9(8) . . . . ?
C22 C21 C26 C25 -2.7(13) . . . . ?
C5 C21 C26 C25 175.5(8) . . . . ?
C24 C25 C26 C21 -2.2(14) . . . . ?
Ag3 O6 C27 O5 -19.2(14) 6_575 . . . ?
Ag3 O6 C27 C24 160.1(5) 6_575 . . . ?
Ag2 O5 C27 O6 6.5(13) 6_575 . . . ?
Ag2 O5 C27 C24 -172.8(5) 6_575 . . . ?
C25 C24 C27 O6 5.7(12) . . . . ?
C23 C24 C27 O6 -169.5(9) . . . . ?
C25 C24 C27 O5 -175.0(8) . . . . ?
C23 C24 C27 O5 9.9(13) . . . . ?

_refine_diff_density_max         0.908
_refine_diff_density_min         -0.876
_refine_diff_density_rms         0.107



####################################################################### 
# 
# 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_4-AgBTB-bpy
_database_code_depnum_ccdc_archive 'CCDC 2000398'
_audit_update_record             
;
2020-06-04 deposited with the CCDC.	2020-06-19 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            'C279.89 H171.11 Ag24 N12.78 O48'
_chemical_formula_weight         7069.88

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0024 0.0013 '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 -1.0848 0.9420 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0048 0.0027 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0087 0.0050 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 2/a'
_space_group_name_Hall           '-I 2ya'

_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+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   33.950(7)
_cell_length_b                   6.0020(12)
_cell_length_c                   39.546(18)
_cell_angle_alpha                90
_cell_angle_beta                 105.22(3)
_cell_angle_gamma                90
_cell_volume                     7776(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    70312
_cell_measurement_theta_min      1.137
_cell_measurement_theta_max      24.000

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_F_000             3452
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    1.191
_shelx_estimated_absorpt_T_min   0.911
_shelx_estimated_absorpt_T_max   0.977
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.910
_exptl_absorpt_correction_T_max  0.976
_exptl_absorpt_process_details   HKL3000
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.650
_diffrn_radiation_type           synchrotron
_diffrn_source                   'PLSII 2D bending magnet'
_diffrn_measurement_device_type  'ADSC Q210 CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27369
_diffrn_reflns_av_unetI/netI     0.0247
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_theta_min         1.137
_diffrn_reflns_theta_max         23.999
_diffrn_reflns_theta_full        22.955
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measured_fraction_theta_full 0.950
_diffrn_reflns_Laue_measured_fraction_max 0.947
_diffrn_reflns_Laue_measured_fraction_full 0.950
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_point_group_measured_fraction_full 0.950
_reflns_number_total             7566
_reflns_number_gt                5905
_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.
 
 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.
;

_computing_data_collection       'PAL BL2D-SMDC Program'
_computing_cell_refinement       HKL3000
_computing_data_reduction        HKL3000
_computing_structure_solution    SHELXS
_computing_structure_refinement  SHELXL
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_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)+(0.0937P)²+4.2581P] 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         7566
_refine_ls_number_parameters     433
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0442
_refine_ls_wR_factor_ref         0.1386
_refine_ls_wR_factor_gt          0.1321
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.001
_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 0.03114(2) -0.91886(7) -0.01533(2) 0.08193(17) Uani 1 1 d . . . . .
Ag2 Ag 0.28968(2) 1.29632(5) 0.22665(2) 0.06111(13) Uani 1 1 d . . . . .
Ag3 Ag 0.33290(2) 0.87366(6) 0.23312(2) 0.06230(13) Uani 1 1 d . . . . .
O1 O 0.03693(12) -0.6685(6) 0.02528(9) 0.0786(10) Uani 1 1 d . . . . .
O2 O -0.02153(12) -0.7451(6) 0.03823(9) 0.0793(10) Uani 1 1 d . . . . .
O3 O 0.24034(7) 1.0428(4) 0.22247(8) 0.0520(6) Uani 1 1 d . . . . .
O4 O 0.27128(8) 0.7423(4) 0.20852(8) 0.0551(7) Uani 1 1 d . . . . .
O5 O -0.11946(8) 0.8927(4) 0.23006(9) 0.0571(7) Uani 1 1 d . . . . .
O6 O -0.14865(8) 0.5609(4) 0.22954(9) 0.0607(8) Uani 1 1 d . . . . .
N1D N 0.08286(18) -0.8638(9) -0.04570(15) 0.0772(15) Uani 0.7986 1 d . . P . .
N2D N 0.2121(2) -0.7148(11) -0.15810(17) 0.0939(18) Uani 0.7986 1 d . . P . .
C1 C 0.03989(11) 0.0940(6) 0.14106(10) 0.0431(8) Uani 1 1 d . . . . .
C1D C 0.0876(2) -1.0205(11) -0.06811(19) 0.0810(19) Uani 0.7986 1 d . . P . .
H1D H 0.074077 -1.155284 -0.068213 0.097 Uiso 0.7986 1 calc R U P . .
C2 C 0.07706(11) 0.2055(6) 0.14952(10) 0.0441(8) Uani 1 1 d . . . . .
H2 H 0.097132 0.163585 0.138674 0.053 Uiso 1 1 calc R U . . .
C2D C 0.1113(2) -0.9948(12) -0.09104(18) 0.0803(18) Uani 0.7986 1 d . . P . .
H2D H 0.112502 -1.107522 -0.106879 0.096 Uiso 0.7986 1 calc R U P . .
C3 C 0.08496(10) 0.3773(5) 0.17371(9) 0.0406(7) Uani 1 1 d . . . . .
C3D C 0.1334(2) -0.8025(11) -0.09060(17) 0.0717(16) Uani 0.7986 1 d . . P . .
C4 C 0.05489(10) 0.4354(5) 0.19022(10) 0.0408(7) Uani 1 1 d . . . . .
H4 H 0.060501 0.544611 0.207508 0.049 Uiso 1 1 calc R U . . .
C4D C 0.1278(3) -0.6345(12) -0.0681(2) 0.090(2) Uani 0.7986 1 d . . P . .
H4D H 0.140423 -0.496738 -0.067859 0.108 Uiso 0.7986 1 calc R U P . .
C5 C 0.01666(10) 0.3342(5) 0.18151(9) 0.0397(7) Uani 1 1 d . . . . .
C5D C 0.1031(3) -0.6773(12) -0.0459(2) 0.090(2) Uani 0.7986 1 d . . P . .
H5D H 0.100715 -0.566604 -0.030066 0.108 Uiso 0.7986 1 calc R U P . .
C6 C 0.00997(11) 0.1610(6) 0.15695(10) 0.0442(8) Uani 1 1 d . . . . .
H6 H -0.015168 0.088966 0.151151 0.053 Uiso 1 1 calc R U . . .
C6D C 0.1904(3) -0.5494(14) -0.1503(2) 0.108(3) Uani 0.7986 1 d . . P . .
H6D H 0.192908 -0.409104 -0.159457 0.129 Uiso 0.7986 1 calc R U P . .
C7 C 0.03220(11) -0.0908(6) 0.11502(10) 0.0462(8) Uani 1 1 d . . . . .
C7D C 0.1645(3) -0.5740(12) -0.1294(2) 0.093(2) Uani 0.7986 1 d . . P . .
H7D H 0.149315 -0.452449 -0.125457 0.111 Uiso 0.7986 1 calc R U P . .
C8 C 0.05093(16) -0.0980(8) 0.08786(13) 0.0698(13) Uani 1 1 d . . . . .
H8 H 0.068428 0.016449 0.085369 0.084 Uiso 1 1 calc R U . . .
C8D C 0.1605(2) -0.7721(11) -0.11441(18) 0.0738(16) Uani 0.7986 1 d . . P . .
C9 C 0.04388(17) -0.2735(8) 0.06441(13) 0.0741(14) Uani 1 1 d . . . . .
H9 H 0.057481 -0.278097 0.046845 0.089 Uiso 1 1 calc R U . . .
C9D C 0.1831(3) -0.9469(13) -0.1226(2) 0.102(3) Uani 0.7986 1 d . . P . .
H9D H 0.181564 -1.089037 -0.113713 0.122 Uiso 0.7986 1 calc R U P . .
C10 C 0.01732(14) -0.4403(7) 0.06658(11) 0.0556(10) Uani 1 1 d . . . . .
C10D C 0.2075(3) -0.9038(14) -0.1442(2) 0.101(3) Uani 0.7986 1 d . . P . .
H10D H 0.222441 -1.022979 -0.149358 0.121 Uiso 0.7986 1 calc R U P . .
C11 C -0.00243(14) -0.4323(7) 0.09266(11) 0.0582(10) Uani 1 1 d . . . . .
H11 H -0.020878 -0.543843 0.094251 0.070 Uiso 1 1 calc R U . . .
C12 C 0.00488(13) -0.2601(6) 0.11654(11) 0.0529(9) Uani 1 1 d . . . . .
H12 H -0.008796 -0.257327 0.134067 0.063 Uiso 1 1 calc R U . . .
C13 C 0.01027(15) -0.6356(7) 0.04115(12) 0.0642(12) Uani 1 1 d . . . . .
C14 C 0.12482(10) 0.4994(5) 0.18239(9) 0.0400(7) Uani 1 1 d . . . . .
C15 C 0.12769(10) 0.7145(6) 0.19553(10) 0.0434(8) Uani 1 1 d . . . . .
H15 H 0.104391 0.783848 0.198625 0.052 Uiso 1 1 calc R U . . .
C16 C 0.16454(11) 0.8292(6) 0.20419(10) 0.0433(8) Uani 1 1 d . . . . .
H16 H 0.165603 0.973470 0.212943 0.052 Uiso 1 1 calc R U . . .
C17 C 0.19981(10) 0.7292(6) 0.19983(10) 0.0419(7) Uani 1 1 d . . . . .
C18 C 0.19697(11) 0.5159(6) 0.18539(10) 0.0479(8) Uani 1 1 d . . . . .
H18 H 0.220025 0.448606 0.181432 0.058 Uiso 1 1 calc R U . . .
C19 C 0.16014(11) 0.4040(6) 0.17694(11) 0.0472(8) Uani 1 1 d . . . . .
H19 H 0.158841 0.261790 0.167387 0.057 Uiso 1 1 calc R U . . .
C20 C 0.24005(11) 0.8473(6) 0.21077(10) 0.0428(8) Uani 1 1 d . . . . .
C21 C -0.01671(10) 0.4151(5) 0.19616(9) 0.0399(7) Uani 1 1 d . . . . .
C22 C -0.01587(11) 0.6268(6) 0.21050(11) 0.0479(9) Uani 1 1 d . . . . .
H22 H 0.007108 0.715433 0.212547 0.057 Uiso 1 1 calc R U . . .
C23 C -0.04822(11) 0.7095(6) 0.22181(10) 0.0475(8) Uani 1 1 d . . . . .
H23 H -0.046512 0.851163 0.231618 0.057 Uiso 1 1 calc R U . . .
C24 C -0.08295(10) 0.5841(6) 0.21867(10) 0.0423(8) Uani 1 1 d . . . . .
C25 C -0.08400(12) 0.3700(6) 0.20587(13) 0.0587(11) Uani 1 1 d . . . . .
H25 H -0.106551 0.280173 0.205068 0.070 Uiso 1 1 calc R U . . .
C26 C -0.05154(12) 0.2864(6) 0.19409(12) 0.0564(10) Uani 1 1 d . . . . .
H26 H -0.053140 0.143430 0.184772 0.068 Uiso 1 1 calc R U . . .
C27 C -0.11975(11) 0.6858(6) 0.22720(10) 0.0457(8) 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 O1 2.170(3) . ?
Ag1 O2 2.200(3) 5_535 ?
Ag1 N1D 2.396(5) . ?
Ag1 Ag1 2.8701(10) 5_535 ?
Ag2 O3 2.237(2) . ?
Ag2 O6 2.237(3) 6_675 ?
Ag2 Ag3 2.9081(7) . ?
Ag3 O5 2.168(2) 6_675 ?
Ag3 O4 2.208(3) . ?
O1 C13 1.245(6) . ?
O2 C13 1.243(6) . ?
O3 C20 1.261(4) . ?
O4 C20 1.256(4) . ?
O5 C27 1.247(4) . ?
O6 C27 1.257(4) . ?
N1D C5D 1.315(8) . ?
N1D C1D 1.331(8) . ?
N2D C10D 1.288(9) . ?
N2D C6D 1.320(10) . ?
C1 C6 1.387(5) . ?
C1 C2 1.390(5) . ?
C1 C7 1.489(5) . ?
C1D C2D 1.370(9) . ?
C1D H1D 0.9300 . ?
C2 C3 1.384(5) . ?
C2 H2 0.9300 . ?
C2D C3D 1.373(9) . ?
C2D H2D 0.9300 . ?
C3 C4 1.393(5) . ?
C3 C14 1.498(4) . ?
C3D C4D 1.390(9) . ?
C3D C8D 1.491(9) . ?
C4 C5 1.392(5) . ?
C4 H4 0.9300 . ?
C4D C5D 1.389(10) . ?
C4D H4D 0.9300 . ?
C5 C6 1.400(5) . ?
C5 C21 1.483(5) . ?
C5D H5D 0.9300 . ?
C6 H6 0.9300 . ?
C6D C7D 1.362(10) . ?
C6D H6D 0.9300 . ?
C7 C8 1.385(6) . ?
C7 C12 1.388(5) . ?
C7D C8D 1.352(9) . ?
C7D H7D 0.9300 . ?
C8 C9 1.382(6) . ?
C8 H8 0.9300 . ?
C8D C9D 1.387(10) . ?
C9 C10 1.365(6) . ?
C9 H9 0.9300 . ?
C9D C10D 1.360(10) . ?
C9D H9D 0.9300 . ?
C10 C11 1.371(6) . ?
C10 C13 1.522(5) . ?
C10D H10D 0.9300 . ?
C11 C12 1.378(5) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C14 C15 1.385(5) . ?
C14 C19 1.396(5) . ?
C15 C16 1.389(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.390(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.395(5) . ?
C17 C20 1.498(5) . ?
C18 C19 1.381(5) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C21 C22 1.389(5) . ?
C21 C26 1.396(5) . ?
C22 C23 1.382(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.377(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.378(5) . ?
C24 C27 1.506(5) . ?
C25 C26 1.397(5) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?

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
O1 Ag1 O2 156.10(14) . 5_535 ?
O1 Ag1 N1D 109.85(16) . . ?
O2 Ag1 N1D 88.23(15) 5_535 . ?
O1 Ag1 Ag1 81.71(9) . 5_535 ?
O2 Ag1 Ag1 79.44(9) 5_535 5_535 ?
N1D Ag1 Ag1 167.61(13) . 5_535 ?
O3 Ag2 O6 159.56(9) . 6_675 ?
O3 Ag2 Ag3 76.35(7) . . ?
O6 Ag2 Ag3 83.45(7) 6_675 . ?
O5 Ag3 O4 147.22(12) 6_675 . ?
O5 Ag3 Ag2 78.31(7) 6_675 . ?
O4 Ag3 Ag2 82.81(7) . . ?
C13 O1 Ag1 123.1(3) . . ?
C13 O2 Ag1 123.7(3) . 5_535 ?
C20 O3 Ag2 126.4(2) . . ?
C20 O4 Ag3 120.6(2) . . ?
C27 O5 Ag3 131.4(2) . 6_575 ?
C27 O6 Ag2 120.4(2) . 6_575 ?
C5D N1D C1D 116.3(6) . . ?
C5D N1D Ag1 124.9(4) . . ?
C1D N1D Ag1 118.0(4) . . ?
C10D N2D C6D 115.2(7) . . ?
C6 C1 C2 118.6(3) . . ?
C6 C1 C7 120.9(3) . . ?
C2 C1 C7 120.6(3) . . ?
N1D C1D C2D 123.8(6) . . ?
N1D C1D H1D 118.1 . . ?
C2D C1D H1D 118.1 . . ?
C3 C2 C1 121.6(3) . . ?
C3 C2 H2 119.2 . . ?
C1 C2 H2 119.2 . . ?
C1D C2D C3D 119.9(6) . . ?
C1D C2D H2D 120.0 . . ?
C3D C2D H2D 120.0 . . ?
C2 C3 C4 118.5(3) . . ?
C2 C3 C14 121.5(3) . . ?
C4 C3 C14 120.0(3) . . ?
C2D C3D C4D 116.9(6) . . ?
C2D C3D C8D 121.3(6) . . ?
C4D C3D C8D 121.7(6) . . ?
C5 C4 C3 121.7(3) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
C5D C4D C3D 118.5(6) . . ?
C5D C4D H4D 120.8 . . ?
C3D C4D H4D 120.8 . . ?
C4 C5 C6 117.8(3) . . ?
C4 C5 C21 121.3(3) . . ?
C6 C5 C21 120.8(3) . . ?
N1D C5D C4D 124.3(6) . . ?
N1D C5D H5D 117.8 . . ?
C4D C5D H5D 117.8 . . ?
C1 C6 C5 121.7(3) . . ?
C1 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
N2D C6D C7D 123.3(7) . . ?
N2D C6D H6D 118.4 . . ?
C7D C6D H6D 118.4 . . ?
C8 C7 C12 117.3(3) . . ?
C8 C7 C1 121.8(3) . . ?
C12 C7 C1 120.9(3) . . ?
C8D C7D C6D 121.1(7) . . ?
C8D C7D H7D 119.4 . . ?
C6D C7D H7D 119.4 . . ?
C9 C8 C7 120.7(4) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C7D C8D C9D 115.9(6) . . ?
C7D C8D C3D 122.3(6) . . ?
C9D C8D C3D 121.8(6) . . ?
C10 C9 C8 121.2(4) . . ?
C10 C9 H9 119.4 . . ?
C8 C9 H9 119.4 . . ?
C10D C9D C8D 118.0(7) . . ?
C10D C9D H9D 121.0 . . ?
C8D C9D H9D 121.0 . . ?
C9 C10 C11 118.9(4) . . ?
C9 C10 C13 121.0(4) . . ?
C11 C10 C13 120.1(4) . . ?
N2D C10D C9D 126.6(8) . . ?
N2D C10D H10D 116.7 . . ?
C9D C10D H10D 116.7 . . ?
C10 C11 C12 120.4(4) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C11 C12 C7 121.4(4) . . ?
C11 C12 H12 119.3 . . ?
C7 C12 H12 119.3 . . ?
O2 C13 O1 126.7(4) . . ?
O2 C13 C10 116.8(4) . . ?
O1 C13 C10 116.5(4) . . ?
C15 C14 C19 117.5(3) . . ?
C15 C14 C3 120.8(3) . . ?
C19 C14 C3 121.7(3) . . ?
C14 C15 C16 121.6(3) . . ?
C14 C15 H15 119.2 . . ?
C16 C15 H15 119.2 . . ?
C15 C16 C17 120.3(3) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C16 C17 C18 118.5(3) . . ?
C16 C17 C20 120.7(3) . . ?
C18 C17 C20 120.8(3) . . ?
C19 C18 C17 120.4(3) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C18 C19 C14 121.6(3) . . ?
C18 C19 H19 119.2 . . ?
C14 C19 H19 119.2 . . ?
O4 C20 O3 124.6(3) . . ?
O4 C20 C17 117.7(3) . . ?
O3 C20 C17 117.7(3) . . ?
C22 C21 C26 117.1(3) . . ?
C22 C21 C5 121.5(3) . . ?
C26 C21 C5 121.2(3) . . ?
C23 C22 C21 121.9(3) . . ?
C23 C22 H22 119.1 . . ?
C21 C22 H22 119.1 . . ?
C24 C23 C22 120.6(3) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C23 C24 C25 118.8(3) . . ?
C23 C24 C27 120.0(3) . . ?
C25 C24 C27 121.1(3) . . ?
C24 C25 C26 120.7(3) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C21 C26 C25 120.8(3) . . ?
C21 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
O5 C27 O6 125.1(3) . . ?
O5 C27 C24 115.9(3) . . ?
O6 C27 C24 119.0(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
C5D N1D C1D C2D -1.3(12) . . . . ?
Ag1 N1D C1D C2D 169.4(6) . . . . ?
C6 C1 C2 C3 1.2(6) . . . . ?
C7 C1 C2 C3 -179.8(4) . . . . ?
N1D C1D C2D C3D 3.0(12) . . . . ?
C1 C2 C3 C4 1.2(6) . . . . ?
C1 C2 C3 C14 -179.1(3) . . . . ?
C1D C2D C3D C4D -4.6(11) . . . . ?
C1D C2D C3D C8D 178.0(7) . . . . ?
C2 C3 C4 C5 -3.8(6) . . . . ?
C14 C3 C4 C5 176.5(3) . . . . ?
C2D C3D C4D C5D 4.6(12) . . . . ?
C8D C3D C4D C5D -178.0(7) . . . . ?
C3 C4 C5 C6 3.9(5) . . . . ?
C3 C4 C5 C21 -172.7(3) . . . . ?
C1D N1D C5D C4D 1.4(13) . . . . ?
Ag1 N1D C5D C4D -168.6(7) . . . . ?
C3D C4D C5D N1D -3.2(14) . . . . ?
C2 C1 C6 C5 -1.1(6) . . . . ?
C7 C1 C6 C5 180.0(3) . . . . ?
C4 C5 C6 C1 -1.4(6) . . . . ?
C21 C5 C6 C1 175.2(3) . . . . ?
C10D N2D C6D C7D -0.8(15) . . . . ?
C6 C1 C7 C8 149.7(4) . . . . ?
C2 C1 C7 C8 -29.2(6) . . . . ?
C6 C1 C7 C12 -28.4(6) . . . . ?
C2 C1 C7 C12 152.6(4) . . . . ?
N2D C6D C7D C8D 2.1(15) . . . . ?
C12 C7 C8 C9 -3.0(7) . . . . ?
C1 C7 C8 C9 178.8(5) . . . . ?
C6D C7D C8D C9D -2.2(13) . . . . ?
C6D C7D C8D C3D 178.1(8) . . . . ?
C2D C3D C8D C7D 142.6(8) . . . . ?
C4D C3D C8D C7D -34.7(12) . . . . ?
C2D C3D C8D C9D -37.1(11) . . . . ?
C4D C3D C8D C9D 145.7(9) . . . . ?
C7 C8 C9 C10 2.3(9) . . . . ?
C7D C8D C9D C10D 1.3(13) . . . . ?
C3D C8D C9D C10D -179.1(8) . . . . ?
C8 C9 C10 C11 -0.3(8) . . . . ?
C8 C9 C10 C13 -178.8(5) . . . . ?
C6D N2D C10D C9D -0.1(16) . . . . ?
C8D C9D C10D N2D -0.1(17) . . . . ?
C9 C10 C11 C12 -0.9(7) . . . . ?
C13 C10 C11 C12 177.7(4) . . . . ?
C10 C11 C12 C7 0.0(7) . . . . ?
C8 C7 C12 C11 1.9(7) . . . . ?
C1 C7 C12 C11 -179.8(4) . . . . ?
Ag1 O2 C13 O1 17.8(8) 5_535 . . . ?
Ag1 O2 C13 C10 -162.6(3) 5_535 . . . ?
Ag1 O1 C13 O2 4.9(8) . . . . ?
Ag1 O1 C13 C10 -174.8(3) . . . . ?
C9 C10 C13 O2 -160.6(5) . . . . ?
C11 C10 C13 O2 20.9(7) . . . . ?
C9 C10 C13 O1 19.1(7) . . . . ?
C11 C10 C13 O1 -159.4(5) . . . . ?
C2 C3 C14 C15 155.7(4) . . . . ?
C4 C3 C14 C15 -24.5(5) . . . . ?
C2 C3 C14 C19 -22.9(5) . . . . ?
C4 C3 C14 C19 156.9(4) . . . . ?
C19 C14 C15 C16 -2.2(6) . . . . ?
C3 C14 C15 C16 179.1(3) . . . . ?
C14 C15 C16 C17 0.0(6) . . . . ?
C15 C16 C17 C18 2.4(6) . . . . ?
C15 C16 C17 C20 -176.9(4) . . . . ?
C16 C17 C18 C19 -2.5(6) . . . . ?
C20 C17 C18 C19 176.9(4) . . . . ?
C17 C18 C19 C14 0.2(6) . . . . ?
C15 C14 C19 C18 2.2(6) . . . . ?
C3 C14 C19 C18 -179.2(4) . . . . ?
Ag3 O4 C20 O3 9.8(5) . . . . ?
Ag3 O4 C20 C17 -168.2(2) . . . . ?
Ag2 O3 C20 O4 20.5(6) . . . . ?
Ag2 O3 C20 C17 -161.4(2) . . . . ?
C16 C17 C20 O4 175.0(4) . . . . ?
C18 C17 C20 O4 -4.3(5) . . . . ?
C16 C17 C20 O3 -3.2(5) . . . . ?
C18 C17 C20 O3 177.5(4) . . . . ?
C4 C5 C21 C22 18.8(6) . . . . ?
C6 C5 C21 C22 -157.7(4) . . . . ?
C4 C5 C21 C26 -165.2(4) . . . . ?
C6 C5 C21 C26 18.2(6) . . . . ?
C26 C21 C22 C23 -1.0(6) . . . . ?
C5 C21 C22 C23 175.1(4) . . . . ?
C21 C22 C23 C24 -1.0(6) . . . . ?
C22 C23 C24 C25 3.6(6) . . . . ?
C22 C23 C24 C27 -172.9(4) . . . . ?
C23 C24 C25 C26 -4.2(7) . . . . ?
C27 C24 C25 C26 172.3(4) . . . . ?
C22 C21 C26 C25 0.4(6) . . . . ?
C5 C21 C26 C25 -175.7(4) . . . . ?
C24 C25 C26 C21 2.3(7) . . . . ?
Ag3 O5 C27 O6 -8.9(7) 6_575 . . . ?
Ag3 O5 C27 C24 168.3(3) 6_575 . . . ?
Ag2 O6 C27 O5 14.7(6) 6_575 . . . ?
Ag2 O6 C27 C24 -162.3(3) 6_575 . . . ?
C23 C24 C27 O5 13.7(6) . . . . ?
C25 C24 C27 O5 -162.7(4) . . . . ?
C23 C24 C27 O6 -168.9(4) . . . . ?
C25 C24 C27 O6 14.6(6) . . . . ?

_refine_diff_density_max         0.785
_refine_diff_density_min         -1.352
_refine_diff_density_rms         0.095



####################################################################### 
# 
# 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_2-AgBTB-dpey
_database_code_depnum_ccdc_archive 'CCDC 2000396'
_audit_update_record             
;
2020-06-04 deposited with the CCDC.	2020-06-19 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            'C252.21 H144.14 Ag24 N6.04 O48'
_chemical_formula_weight         6615.83

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.9078 1.0766 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0059 0.0032 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0105 0.0059 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'I 2'
_space_group_name_Hall           'I 2y'

_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'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'

_cell_length_a                   34.592(7)
_cell_length_b                   6.2570(13)
_cell_length_c                   35.505(18)
_cell_angle_alpha                90
_cell_angle_beta                 107.21(3)
_cell_angle_gamma                90
_cell_volume                     7341(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    79935
_cell_measurement_theta_min      1.697
_cell_measurement_theta_max      23.198

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_F_000             3212
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.058
_exptl_crystal_size_mid          0.052
_exptl_crystal_size_min          0.021
_exptl_absorpt_coefficient_mu    1.533
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.916
_exptl_absorpt_correction_T_max  0.968
_exptl_absorpt_process_details   HKL3000
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.700
_diffrn_radiation_type           synchrotron
_diffrn_source                   'PLSII 2D bending magnet'
_diffrn_measurement_device_type  'ADSC Q210 CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20422
_diffrn_reflns_av_unetI/netI     0.0508
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         1.697
_diffrn_reflns_theta_max         23.198
_diffrn_reflns_theta_full        23.198
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measured_fraction_theta_full 0.940
_diffrn_reflns_Laue_measured_fraction_max 0.940
_diffrn_reflns_Laue_measured_fraction_full 0.940
_diffrn_reflns_point_group_measured_fraction_max 0.952
_diffrn_reflns_point_group_measured_fraction_full 0.952
_reflns_number_total             10393
_reflns_number_gt                7322
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.831
_reflns_Friedel_fraction_max     0.968
_reflns_Friedel_fraction_full    0.968

_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'PAL BL2D-SMDC Program'
_computing_cell_refinement       HKL3000
_computing_data_reduction        HKL3000
_computing_structure_solution    SHELXS
_computing_structure_refinement  SHELXL
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1020P)²] 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_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.47(5)
_chemical_absolute_configuration .
_refine_ls_number_reflns         10393
_refine_ls_number_parameters     752
_refine_ls_number_restraints     152
_refine_ls_R_factor_all          0.0739
_refine_ls_R_factor_gt           0.0519
_refine_ls_wR_factor_ref         0.1557
_refine_ls_wR_factor_gt          0.1420
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_restrained_S_all      0.983
_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 0.28150(4) 2.5404(2) 0.49419(5) 0.1149(5) Uani 1 1 d . . . . .
Ag2 Ag 0.20857(4) 2.6092(2) 0.50929(5) 0.1285(6) Uani 1 1 d . . . . .
Ag3 Ag 0.53300(4) 0.2685(3) 0.71532(5) 0.1227(6) Uani 1 1 d . . . . .
Ag4 Ag 0.57175(4) 0.6790(3) 0.71660(4) 0.1143(5) Uani 1 1 d . . . . .
Ag5 Ag 0.03952(4) 0.8267(2) 0.73069(4) 0.1168(6) Uani 1 1 d . . . . .
Ag6 Ag 0.07567(4) 0.4283(3) 0.72178(4) 0.1158(5) Uani 1 1 d . . . . .
O1 O 0.2864(3) 2.261(2) 0.5323(3) 0.102(4) Uani 1 1 d . . . . .
O2 O 0.2250(4) 2.2910(18) 0.5356(4) 0.121(4) Uani 1 1 d . . . . .
O3 O 0.4831(2) 0.5054(15) 0.7156(3) 0.073(2) Uani 1 1 d . . . . .
O4 O 0.5117(3) 0.8042(16) 0.7008(3) 0.090(3) Uani 1 1 d . . . . .
O5 O 0.0967(3) 0.9654(16) 0.7220(3) 0.082(3) Uani 1 1 d . . . . .
O6 O 0.1248(2) 0.6330(18) 0.7262(3) 0.081(3) Uani 1 1 d . . . . .
C1 C 0.2839(3) 1.4381(19) 0.6370(3) 0.052(3) Uani 1 1 d . . . . .
C2 C 0.3204(3) 1.3208(18) 0.6460(3) 0.052(3) Uani 1 1 d . . . . .
H2 H 0.340938 1.366547 0.635960 0.062 Uiso 1 1 calc R U . . .
C3 C 0.3268(3) 1.1275(18) 0.6710(3) 0.049(3) Uani 1 1 d . . . . .
C4 C 0.2986(4) 1.0711(19) 0.6885(4) 0.066(3) Uani 1 1 d . . . . .
H4 H 0.304801 0.967894 0.708267 0.079 Uiso 1 1 calc R U . . .
C5 C 0.2591(3) 1.1681(18) 0.6772(3) 0.054(3) Uani 1 1 d . . . . .
C6 C 0.2539(4) 1.358(2) 0.6527(4) 0.070(4) Uani 1 1 d . . . . .
H6 H 0.229428 1.430913 0.647121 0.084 Uiso 1 1 calc R U . . .
C7 C 0.2771(3) 1.6215(18) 0.6119(3) 0.047(3) Uani 1 1 d . . . . .
C8 C 0.3079(4) 1.702(2) 0.5988(4) 0.077(4) Uani 1 1 d . . . . .
H8 H 0.333458 1.639783 0.605141 0.093 Uiso 1 1 calc R U . . .
C9 C 0.2981(4) 1.885(2) 0.5752(4) 0.072(4) Uani 1 1 d . . . . .
H9 H 0.318464 1.939355 0.565820 0.086 Uiso 1 1 calc R U . . .
C10 C 0.2637(4) 1.988(2) 0.5647(4) 0.072(4) Uani 1 1 d . . . . .
C11 C 0.2360(4) 1.910(2) 0.5833(4) 0.078(4) Uani 1 1 d . . . . .
H11 H 0.211929 1.986376 0.579043 0.093 Uiso 1 1 calc R U . . .
C12 C 0.2407(4) 1.731(2) 0.6075(4) 0.085(4) Uani 1 1 d . . . . .
H12 H 0.221583 1.687468 0.619628 0.103 Uiso 1 1 calc R U . . .
C13 C 0.2553(5) 2.208(2) 0.5428(4) 0.083(4) Uani 1 1 d . . . . .
C14 C 0.3668(4) 1.023(2) 0.6806(4) 0.062(3) Uani 1 1 d . . . . .
C15 C 0.3711(4) 0.816(2) 0.6916(4) 0.070(3) Uani 1 1 d . . . . .
H15 H 0.348740 0.740307 0.693826 0.084 Uiso 1 1 calc R U . . .
C16 C 0.4080(3) 0.716(2) 0.6996(4) 0.075(4) Uani 1 1 d . . . . .
H16 H 0.410304 0.577582 0.709672 0.089 Uiso 1 1 calc R U . . .
C17 C 0.4408(3) 0.8068(19) 0.6937(3) 0.057(3) Uani 1 1 d . . . . .
C18 C 0.4371(4) 1.016(2) 0.6820(4) 0.076(4) Uani 1 1 d . . . . .
H18 H 0.459466 1.090786 0.679647 0.091 Uiso 1 1 calc R U . . .
C19 C 0.4002(3) 1.114(2) 0.6739(4) 0.073(4) Uani 1 1 d . . . . .
H19 H 0.397618 1.251266 0.663200 0.087 Uiso 1 1 calc R U . . .
C20 C 0.4831(4) 0.695(2) 0.7040(3) 0.058(3) Uani 1 1 d . . . . .
C21 C 0.2297(4) 1.096(2) 0.6950(4) 0.077(4) Uani 1 1 d . . . . .
C22 C 0.1969(5) 1.201(2) 0.6986(5) 0.091(5) Uani 1 1 d . . . . .
H22 H 0.197452 1.345933 0.693037 0.109 Uiso 1 1 calc R U . . .
C23 C 0.1645(3) 1.147(3) 0.7080(5) 0.085(5) Uani 1 1 d . . . . .
H23 H 0.145111 1.247098 0.709672 0.102 Uiso 1 1 calc R U . . .
C24 C 0.1607(4) 0.933(2) 0.7154(5) 0.079(4) Uani 1 1 d . . . . .
C25 C 0.1932(4) 0.803(3) 0.7164(4) 0.090(5) Uani 1 1 d . . . . .
H25 H 0.193669 0.660352 0.723544 0.108 Uiso 1 1 calc R U . . .
C26 C 0.2270(3) 0.900(3) 0.7056(4) 0.078(4) Uani 1 1 d . . . . .
H26 H 0.248895 0.811760 0.706576 0.094 Uiso 1 1 calc R U . . .
C27 C 0.1249(6) 0.846(3) 0.7218(5) 0.102(5) Uani 1 1 d . . . . .
O7 O -0.4051(3) 0.144(2) 0.7193(3) 0.098(4) Uani 1 1 d . . . . .
O8 O -0.3773(3) 0.468(2) 0.7210(3) 0.091(3) Uani 1 1 d . . . . .
O9 O -0.2106(3) -1.1294(15) 0.5302(3) 0.095(3) Uani 1 1 d . . . . .
O10 O -0.2715(3) -1.1700(15) 0.5380(3) 0.092(3) Uani 1 1 d . . . . .
O11 O -0.0134(3) 0.6113(19) 0.7221(3) 0.088(3) Uani 1 1 d . . . . .
O12 O 0.0139(2) 0.3182(15) 0.7054(3) 0.084(3) Uani 1 1 d . . . . .
C28 C -0.2355(3) -0.0598(19) 0.6806(4) 0.063(3) Uani 1 1 d . . . . .
C29 C -0.2438(3) -0.2240(19) 0.6563(4) 0.066(4) Uani 1 1 d . . . . .
H29 H -0.268901 -0.290762 0.650060 0.079 Uiso 1 1 calc R U . . .
C30 C -0.2129(3) -0.2976(18) 0.6396(4) 0.061(3) Uani 1 1 d . . . . .
C31 C -0.1759(3) -0.188(2) 0.6506(4) 0.063(3) Uani 1 1 d . . . . .
H31 H -0.155691 -0.234254 0.640061 0.076 Uiso 1 1 calc R U . . .
C32 C -0.1685(3) -0.031(2) 0.6739(4) 0.062(3) Uani 1 1 d . . . . .
C33 C -0.1997(3) 0.0424(19) 0.6901(3) 0.053(3) Uani 1 1 d . . . . .
H33 H -0.195210 0.159470 0.706981 0.063 Uiso 1 1 calc R U . . .
C34 C -0.2721(3) 0.020(2) 0.6939(3) 0.060(3) Uani 1 1 d . . . . .
C35 C -0.3000(4) -0.115(2) 0.6956(5) 0.088(5) Uani 1 1 d . . . . .
H35 H -0.297461 -0.259632 0.690672 0.106 Uiso 1 1 calc R U . . .
C36 C -0.3356(6) -0.035(3) 0.7056(7) 0.139(8) Uani 1 1 d . . . . .
H36 H -0.356283 -0.126974 0.706710 0.167 Uiso 1 1 calc R U . . .
C37 C -0.3378(4) 0.196(2) 0.7138(4) 0.071(4) Uani 1 1 d . . . . .
C38 C -0.3045(3) 0.310(2) 0.7148(4) 0.084(4) Uani 1 1 d . . . . .
H38 H -0.304933 0.454269 0.721058 0.100 Uiso 1 1 calc R U . . .
C39 C -0.2700(4) 0.238(2) 0.7075(4) 0.071(4) Uani 1 1 d . . . . .
H39 H -0.247140 0.322590 0.711030 0.085 Uiso 1 1 calc R U . . .
C40 C -0.3790(4) 0.274(3) 0.7203(4) 0.070(4) Uani 1 1 d . . . . .
C41 C -0.2211(4) -0.5044(19) 0.6133(4) 0.069(4) Uani 1 1 d . . . . .
C42 C -0.1959(5) -0.564(3) 0.5898(5) 0.103(5) Uani 1 1 d . . . . .
H42 H -0.173831 -0.476804 0.590712 0.123 Uiso 1 1 calc R U . . .
C43 C -0.2020(5) -0.736(3) 0.5665(6) 0.118(7) Uani 1 1 d . . . . .
H43 H -0.184802 -0.760412 0.551149 0.142 Uiso 1 1 calc R U . . .
C44 C -0.2314(5) -0.873(3) 0.5645(5) 0.081(5) Uani 1 1 d . . . . .
C45 C -0.2581(8) -0.819(3) 0.5774(7) 0.149(10) Uani 1 1 d . . . . .
H45 H -0.281826 -0.899542 0.570789 0.178 Uiso 1 1 calc R U . . .
C46 C -0.2554(4) -0.628(2) 0.6041(5) 0.100(6) Uani 1 1 d . . . . .
H46 H -0.276639 -0.593923 0.613999 0.120 Uiso 1 1 calc R U . . .
C47 C -0.2373(5) -1.068(2) 0.5432(4) 0.074(4) Uani 1 1 d . . . . .
C48 C -0.1297(3) 0.0942(17) 0.6824(3) 0.051(3) Uani 1 1 d . . . . .
C49 C -0.1253(3) 0.299(2) 0.6973(3) 0.061(3) Uani 1 1 d . . . . .
H49 H -0.147398 0.368003 0.701635 0.074 Uiso 1 1 calc R U . . .
C50 C -0.0871(3) 0.4066(19) 0.7062(3) 0.065(4) Uani 1 1 d . . . . .
H50 H -0.084486 0.547226 0.715064 0.078 Uiso 1 1 calc R U . . .
C51 C -0.0558(3) 0.302(2) 0.7015(4) 0.068(4) Uani 1 1 d . . . . .
C52 C -0.0573(3) 0.100(2) 0.6912(5) 0.082(4) Uani 1 1 d . . . . .
H52 H -0.033550 0.029109 0.691579 0.098 Uiso 1 1 calc R U . . .
C53 C -0.0931(3) -0.0094(18) 0.6800(4) 0.064(3) Uani 1 1 d . . . . .
H53 H -0.093954 -0.149246 0.670968 0.077 Uiso 1 1 calc R U . . .
C54 C -0.0152(4) 0.432(3) 0.7124(4) 0.073(4) Uani 1 1 d . . . . .
N1D N 0.1407(3) 2.615(3) 0.5119(4) 0.146(5) Uani 0.957 1 d G U P . .
C1D C 0.1162(5) 2.788(2) 0.4960(5) 0.182(6) Uani 0.957 1 d G U P . .
H1D H 0.126975 2.905635 0.486573 0.218 Uiso 0.957 1 calc R U P . .
C2D C 0.0754(5) 2.786(3) 0.4941(5) 0.184(6) Uani 0.957 1 d G U P . .
H2D H 0.059028 2.902131 0.483437 0.221 Uiso 0.957 1 calc R U P . .
C3D C 0.0593(4) 2.611(4) 0.5081(5) 0.161(6) Uani 0.957 1 d G U P . .
C4D C 0.0838(6) 2.437(3) 0.5241(5) 0.175(6) Uani 0.957 1 d G U P . .
H4D H 0.072969 2.320062 0.533484 0.210 Uiso 0.957 1 calc R U P . .
C5D C 0.1245(5) 2.440(2) 0.5260(4) 0.185(6) Uani 0.957 1 d G U P . .
H5D H 0.140916 2.323562 0.536620 0.222 Uiso 0.957 1 calc R U P . .
C6D C 0.0168(6) 2.647(4) 0.5004(7) 0.151(7) Uani 0.957 1 d . U P . .
N11D N 0.5094(5) 0.242(3) 0.6374(3) 0.093(5) Uani 0.5517 1 d G U P . .
C11D C 0.4901(5) 0.413(2) 0.6145(4) 0.092(5) Uani 0.5517 1 d G U P . .
H11D H 0.478943 0.521628 0.625884 0.111 Uiso 0.5517 1 calc R U P . .
C12D C 0.4873(5) 0.422(2) 0.5747(4) 0.100(5) Uani 0.5517 1 d DG U P . .
H12D H 0.474376 0.536168 0.559413 0.120 Uiso 0.5517 1 calc R U P . .
C13D C 0.5039(5) 0.259(3) 0.5577(3) 0.096(5) Uani 0.5517 1 d DG U P . .
C14D C 0.5233(5) 0.088(2) 0.5806(4) 0.100(5) Uani 0.5517 1 d DG U P . .
H14D H 0.534403 -0.020732 0.569211 0.120 Uiso 0.5517 1 calc R U P . .
C15D C 0.5260(5) 0.079(2) 0.6204(4) 0.096(5) Uani 0.5517 1 d G U P . .
H15D H 0.538970 -0.035276 0.635682 0.115 Uiso 0.5517 1 calc R U P . .
C16D C 0.5008(8) 0.267(4) 0.5148(4) 0.097(6) Uani 0.5517 1 d D U 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 O10 2.116(8) 2_596 ?
Ag1 O1 2.186(11) . ?
Ag1 Ag2 2.764(2) . ?
Ag2 O9 2.168(9) 2_596 ?
Ag2 O2 2.201(11) . ?
Ag2 N1D 2.378(11) . ?
Ag3 O7 2.246(10) 1_655 ?
Ag3 O3 2.278(7) . ?
Ag3 Ag4 2.891(2) . ?
Ag4 O4 2.135(8) . ?
Ag4 O8 2.171(10) 1_655 ?
Ag5 O11 2.221(9) . ?
Ag5 O5 2.263(9) . ?
Ag5 O3 2.525(9) 4_556 ?
Ag5 Ag6 2.848(2) . ?
Ag6 O6 2.096(9) . ?
Ag6 O12 2.155(8) . ?
O1 C13 1.282(17) . ?
O2 C13 1.131(18) . ?
O3 C20 1.256(15) . ?
O4 C20 1.234(16) . ?
O5 C27 1.23(2) . ?
O6 C27 1.34(2) . ?
C1 C6 1.407(15) . ?
C1 C2 1.413(14) . ?
C1 C7 1.429(16) . ?
C2 C3 1.477(15) . ?
C2 H2 0.9300 . ?
C3 C4 1.350(16) . ?
C3 C14 1.479(15) . ?
C4 C5 1.439(15) . ?
C4 H4 0.9300 . ?
C5 C21 1.419(17) . ?
C5 C6 1.452(17) . ?
C6 H6 0.9300 . ?
C7 C8 1.381(16) . ?
C7 C12 1.398(16) . ?
C8 C9 1.396(16) . ?
C8 H8 0.9300 . ?
C9 C10 1.308(17) . ?
C9 H9 0.9300 . ?
C10 C11 1.403(17) . ?
C10 C13 1.56(2) . ?
C11 C12 1.40(2) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C14 C15 1.346(17) . ?
C14 C19 1.371(15) . ?
C15 C16 1.375(16) . ?
C15 H15 0.9300 . ?
C16 C17 1.341(17) . ?
C16 H16 0.9300 . ?
C17 C18 1.367(18) . ?
C17 C20 1.563(15) . ?
C18 C19 1.368(18) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C21 C26 1.30(2) . ?
C21 C22 1.350(17) . ?
C22 C23 1.305(17) . ?
C22 H22 0.9300 . ?
C23 C24 1.38(2) . ?
C23 H23 0.9300 . ?
C24 C25 1.38(2) . ?
C24 C27 1.432(19) . ?
C25 C26 1.464(18) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
O7 C40 1.207(18) . ?
O8 C40 1.216(19) . ?
O9 C47 1.212(17) . ?
O10 C47 1.308(16) . ?
O11 C54 1.168(18) . ?
O12 C54 1.317(16) . ?
C28 C29 1.317(15) . ?
C28 C33 1.345(15) . ?
C28 C34 1.558(15) . ?
C29 C30 1.442(15) . ?
C29 H29 0.9300 . ?
C30 C31 1.401(16) . ?
C30 C41 1.571(16) . ?
C31 C32 1.266(16) . ?
C31 H31 0.9300 . ?
C32 C33 1.441(15) . ?
C32 C48 1.504(15) . ?
C33 H33 0.9300 . ?
C34 C35 1.297(18) . ?
C34 C39 1.441(18) . ?
C35 C36 1.47(2) . ?
C35 H35 0.9300 . ?
C36 C37 1.48(2) . ?
C36 H36 0.9300 . ?
C37 C38 1.349(18) . ?
C37 C40 1.586(17) . ?
C38 C39 1.368(16) . ?
C38 H38 0.9300 . ?
C39 H39 0.9300 . ?
C41 C46 1.371(17) . ?
C41 C42 1.42(2) . ?
C42 C43 1.34(2) . ?
C42 H42 0.9300 . ?
C43 C44 1.31(2) . ?
C43 H43 0.9300 . ?
C44 C45 1.20(3) . ?
C44 C47 1.42(2) . ?
C45 C46 1.51(3) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C48 C49 1.376(17) . ?
C48 C53 1.446(15) . ?
C49 C50 1.433(15) . ?
C49 H49 0.9300 . ?
C50 C51 1.317(16) . ?
C50 H50 0.9300 . ?
C51 C52 1.316(19) . ?
C51 C54 1.568(19) . ?
C52 C53 1.365(15) . ?
C52 H52 0.9300 . ?
C53 H53 0.9300 . ?
N1D C1D 1.3900 . ?
N1D C5D 1.3900 . ?
C1D C2D 1.3900 . ?
C1D H1D 0.9300 . ?
C2D C3D 1.3900 . ?
C2D H2D 0.9300 . ?
C3D C4D 1.3900 . ?
C3D C6D 1.43(2) . ?
C4D C5D 1.3900 . ?
C4D H4D 0.9300 . ?
C5D H5D 0.9300 . ?
C6D C6D 1.15(4) 2_556 ?
N11D C11D 1.3900 . ?
N11D C15D 1.3900 . ?
C11D C12D 1.3900 . ?
C11D H11D 0.9300 . ?
C12D C13D 1.3900 . ?
C12D H12D 0.9300 . ?
C13D C14D 1.3900 . ?
C13D C16D 1.495(9) . ?
C14D C15D 1.3900 . ?
C14D H14D 0.9300 . ?
C15D H15D 0.9300 . ?
C16D C16D 1.04(2) 2_656 ?

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
O10 Ag1 O1 171.7(5) 2_596 . ?
O10 Ag1 Ag2 87.6(3) 2_596 . ?
O1 Ag1 Ag2 85.0(3) . . ?
O9 Ag2 O2 154.6(5) 2_596 . ?
O9 Ag2 N1D 103.6(5) 2_596 . ?
O2 Ag2 N1D 97.5(6) . . ?
O9 Ag2 Ag1 77.6(3) 2_596 . ?
O2 Ag2 Ag1 78.8(3) . . ?
N1D Ag2 Ag1 168.2(4) . . ?
O7 Ag3 O3 159.5(4) 1_655 . ?
O7 Ag3 Ag4 83.0(3) 1_655 . ?
O3 Ag3 Ag4 76.7(2) . . ?
O4 Ag4 O8 161.6(4) . 1_655 ?
O4 Ag4 Ag3 84.9(3) . . ?
O8 Ag4 Ag3 79.8(3) 1_655 . ?
O11 Ag5 O5 158.8(4) . . ?
O11 Ag5 O3 86.9(3) . 4_556 ?
O5 Ag5 O3 114.3(3) . 4_556 ?
O11 Ag5 Ag6 79.9(3) . . ?
O5 Ag5 Ag6 83.7(3) . . ?
O3 Ag5 Ag6 135.7(2) 4_556 . ?
O6 Ag6 O12 158.9(4) . . ?
O6 Ag6 Ag5 80.2(3) . . ?
O12 Ag6 Ag5 82.9(2) . . ?
C13 O1 Ag1 118.1(10) . . ?
C13 O2 Ag2 128.1(12) . . ?
C20 O3 Ag3 122.6(7) . . ?
C20 O3 Ag5 134.2(7) . 4_546 ?
Ag3 O3 Ag5 96.9(3) . 4_546 ?
C20 O4 Ag4 121.2(8) . . ?
C27 O5 Ag5 119.6(11) . . ?
C27 O6 Ag6 128.9(10) . . ?
C6 C1 C2 116.0(11) . . ?
C6 C1 C7 121.9(10) . . ?
C2 C1 C7 122.0(9) . . ?
C1 C2 C3 121.8(9) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 H2 119.1 . . ?
C4 C3 C2 119.4(9) . . ?
C4 C3 C14 122.3(11) . . ?
C2 C3 C14 117.7(9) . . ?
C3 C4 C5 121.0(11) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
C21 C5 C4 119.2(11) . . ?
C21 C5 C6 123.2(10) . . ?
C4 C5 C6 116.9(10) . . ?
C1 C6 C5 123.6(12) . . ?
C1 C6 H6 118.2 . . ?
C5 C6 H6 118.2 . . ?
C8 C7 C12 122.9(12) . . ?
C8 C7 C1 120.2(8) . . ?
C12 C7 C1 116.0(10) . . ?
C7 C8 C9 115.1(10) . . ?
C7 C8 H8 122.4 . . ?
C9 C8 H8 122.4 . . ?
C10 C9 C8 128.1(12) . . ?
C10 C9 H9 116.0 . . ?
C8 C9 H9 116.0 . . ?
C9 C10 C11 112.6(11) . . ?
C9 C10 C13 126.7(13) . . ?
C11 C10 C13 119.1(12) . . ?
C12 C11 C10 126.6(11) . . ?
C12 C11 H11 116.7 . . ?
C10 C11 H11 116.7 . . ?
C11 C12 C7 113.6(13) . . ?
C11 C12 H12 123.2 . . ?
C7 C12 H12 123.2 . . ?
O2 C13 O1 128.0(16) . . ?
O2 C13 C10 122.7(15) . . ?
O1 C13 C10 109.0(14) . . ?
C15 C14 C19 115.3(12) . . ?
C15 C14 C3 120.4(11) . . ?
C19 C14 C3 123.6(12) . . ?
C14 C15 C16 120.9(12) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C17 C16 C15 123.4(13) . . ?
C17 C16 H16 118.3 . . ?
C15 C16 H16 118.3 . . ?
C16 C17 C18 116.5(11) . . ?
C16 C17 C20 123.4(11) . . ?
C18 C17 C20 119.8(12) . . ?
C17 C18 C19 119.6(12) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C18 C19 C14 123.7(14) . . ?
C18 C19 H19 118.2 . . ?
C14 C19 H19 118.2 . . ?
O4 C20 O3 129.0(11) . . ?
O4 C20 C17 116.8(12) . . ?
O3 C20 C17 114.1(11) . . ?
C26 C21 C22 107.2(13) . . ?
C26 C21 C5 123.5(10) . . ?
C22 C21 C5 128.6(14) . . ?
C23 C22 C21 135.3(16) . . ?
C23 C22 H22 112.3 . . ?
C21 C22 H22 112.3 . . ?
C22 C23 C24 115.8(14) . . ?
C22 C23 H23 122.1 . . ?
C24 C23 H23 122.1 . . ?
C25 C24 C23 117.1(11) . . ?
C25 C24 C27 120.7(15) . . ?
C23 C24 C27 122.3(14) . . ?
C24 C25 C26 117.3(14) . . ?
C24 C25 H25 121.4 . . ?
C26 C25 H25 121.4 . . ?
C21 C26 C25 126.9(12) . . ?
C21 C26 H26 116.6 . . ?
C25 C26 H26 116.6 . . ?
O5 C27 O6 124.9(15) . . ?
O5 C27 C24 119.7(18) . . ?
O6 C27 C24 115.4(17) . . ?
C40 O7 Ag3 117.3(11) . 1_455 ?
C40 O8 Ag4 125.0(10) . 1_455 ?
C47 O9 Ag2 131.4(9) . 2_516 ?
C47 O10 Ag1 119.4(10) . 2_516 ?
C54 O11 Ag5 126.3(10) . . ?
C54 O12 Ag6 121.9(9) . . ?
C29 C28 C33 122.7(11) . . ?
C29 C28 C34 114.2(10) . . ?
C33 C28 C34 122.8(11) . . ?
C28 C29 C30 118.4(9) . . ?
C28 C29 H29 120.8 . . ?
C30 C29 H29 120.8 . . ?
C31 C30 C29 117.2(10) . . ?
C31 C30 C41 123.8(10) . . ?
C29 C30 C41 118.8(10) . . ?
C32 C31 C30 123.7(11) . . ?
C32 C31 H31 118.2 . . ?
C30 C31 H31 118.2 . . ?
C31 C32 C33 118.5(11) . . ?
C31 C32 C48 122.2(10) . . ?
C33 C32 C48 119.0(11) . . ?
C28 C33 C32 119.5(11) . . ?
C28 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C35 C34 C39 124.4(10) . . ?
C35 C34 C28 119.1(12) . . ?
C39 C34 C28 116.1(11) . . ?
C34 C35 C36 118.4(13) . . ?
C34 C35 H35 120.8 . . ?
C36 C35 H35 120.8 . . ?
C35 C36 C37 118.6(13) . . ?
C35 C36 H36 120.7 . . ?
C37 C36 H36 120.7 . . ?
C38 C37 C36 115.3(12) . . ?
C38 C37 C40 129.2(14) . . ?
C36 C37 C40 115.5(14) . . ?
C37 C38 C39 127.3(14) . . ?
C37 C38 H38 116.4 . . ?
C39 C38 H38 116.4 . . ?
C38 C39 C34 114.6(12) . . ?
C38 C39 H39 122.7 . . ?
C34 C39 H39 122.7 . . ?
O7 C40 O8 134.8(14) . . ?
O7 C40 C37 119.0(15) . . ?
O8 C40 C37 105.7(13) . . ?
C46 C41 C42 110.4(12) . . ?
C46 C41 C30 126.7(11) . . ?
C42 C41 C30 121.9(12) . . ?
C43 C42 C41 124.1(15) . . ?
C43 C42 H42 117.9 . . ?
C41 C42 H42 117.9 . . ?
C44 C43 C42 122.4(16) . . ?
C44 C43 H43 118.8 . . ?
C42 C43 H43 118.8 . . ?
C45 C44 C43 118.0(19) . . ?
C45 C44 C47 116.1(19) . . ?
C43 C44 C47 125.2(15) . . ?
C44 C45 C46 123(2) . . ?
C44 C45 H45 118.3 . . ?
C46 C45 H45 118.3 . . ?
C41 C46 C45 119.1(14) . . ?
C41 C46 H46 120.4 . . ?
C45 C46 H46 120.4 . . ?
O9 C47 O10 123.4(14) . . ?
O9 C47 C44 118.1(13) . . ?
O10 C47 C44 118.6(16) . . ?
C49 C48 C53 116.1(9) . . ?
C49 C48 C32 123.4(10) . . ?
C53 C48 C32 120.0(10) . . ?
C48 C49 C50 120.8(11) . . ?
C48 C49 H49 119.6 . . ?
C50 C49 H49 119.6 . . ?
C51 C50 C49 118.6(12) . . ?
C51 C50 H50 120.7 . . ?
C49 C50 H50 120.7 . . ?
C52 C51 C50 123.0(10) . . ?
C52 C51 C54 121.9(11) . . ?
C50 C51 C54 114.9(14) . . ?
C51 C52 C53 121.4(11) . . ?
C51 C52 H52 119.3 . . ?
C53 C52 H52 119.3 . . ?
C52 C53 C48 119.5(10) . . ?
C52 C53 H53 120.2 . . ?
C48 C53 H53 120.2 . . ?
O11 C54 O12 126.8(14) . . ?
O11 C54 C51 122.3(13) . . ?
O12 C54 C51 110.5(14) . . ?
C1D N1D C5D 120.0 . . ?
C1D N1D Ag2 119.1(10) . . ?
C5D N1D Ag2 120.6(10) . . ?
N1D C1D C2D 120.0 . . ?
N1D C1D H1D 120.0 . . ?
C2D C1D H1D 120.0 . . ?
C3D C2D C1D 120.0 . . ?
C3D C2D H2D 120.0 . . ?
C1D C2D H2D 120.0 . . ?
C4D C3D C2D 120.0 . . ?
C4D C3D C6D 132.1(18) . . ?
C2D C3D C6D 107.8(18) . . ?
C3D C4D C5D 120.0 . . ?
C3D C4D H4D 120.0 . . ?
C5D C4D H4D 120.0 . . ?
C4D C5D N1D 120.0 . . ?
C4D C5D H5D 120.0 . . ?
N1D C5D H5D 120.0 . . ?
C6D C6D C3D 167(3) 2_556 . ?
C11D N11D C15D 120.0 . . ?
C12D C11D N11D 120.0 . . ?
C12D C11D H11D 120.0 . . ?
N11D C11D H11D 120.0 . . ?
C13D C12D C11D 120.0 . . ?
C13D C12D H12D 120.0 . . ?
C11D C12D H12D 120.0 . . ?
C12D C13D C14D 120.0 . . ?
C12D C13D C16D 120.3(7) . . ?
C14D C13D C16D 119.7(7) . . ?
C15D C14D C13D 120.0 . . ?
C15D C14D H14D 120.0 . . ?
C13D C14D H14D 120.0 . . ?
C14D C15D N11D 120.0 . . ?
C14D C15D H15D 120.0 . . ?
N11D C15D H15D 120.0 . . ?
C16D C16D C13D 178(2) 2_656 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -0.8(16) . . . . ?
C7 C1 C2 C3 -178.1(10) . . . . ?
C1 C2 C3 C4 -5.9(16) . . . . ?
C1 C2 C3 C14 -176.7(11) . . . . ?
C2 C3 C4 C5 12.9(17) . . . . ?
C14 C3 C4 C5 -176.7(11) . . . . ?
C3 C4 C5 C21 176.9(12) . . . . ?
C3 C4 C5 C6 -12.9(17) . . . . ?
C2 C1 C6 C5 0.5(17) . . . . ?
C7 C1 C6 C5 177.8(10) . . . . ?
C21 C5 C6 C1 175.8(13) . . . . ?
C4 C5 C6 C1 6.0(16) . . . . ?
C6 C1 C7 C8 176.4(13) . . . . ?
C2 C1 C7 C8 -6.5(17) . . . . ?
C6 C1 C7 C12 7.0(16) . . . . ?
C2 C1 C7 C12 -175.9(12) . . . . ?
C12 C7 C8 C9 -10(2) . . . . ?
C1 C7 C8 C9 -178.5(11) . . . . ?
C7 C8 C9 C10 1(2) . . . . ?
C8 C9 C10 C11 6(2) . . . . ?
C8 C9 C10 C13 171.7(14) . . . . ?
C9 C10 C11 C12 -6(2) . . . . ?
C13 C10 C11 C12 -172.7(14) . . . . ?
C10 C11 C12 C7 -1(2) . . . . ?
C8 C7 C12 C11 10(2) . . . . ?
C1 C7 C12 C11 178.9(12) . . . . ?
Ag2 O2 C13 O1 -12(3) . . . . ?
Ag2 O2 C13 C10 174.9(10) . . . . ?
Ag1 O1 C13 O2 -2(2) . . . . ?
Ag1 O1 C13 C10 172.2(9) . . . . ?
C9 C10 C13 O2 -177.8(17) . . . . ?
C11 C10 C13 O2 -13(2) . . . . ?
C9 C10 C13 O1 8(2) . . . . ?
C11 C10 C13 O1 172.2(13) . . . . ?
C4 C3 C14 C15 31.1(19) . . . . ?
C2 C3 C14 C15 -158.4(12) . . . . ?
C4 C3 C14 C19 -158.1(13) . . . . ?
C2 C3 C14 C19 12.4(18) . . . . ?
C19 C14 C15 C16 7(2) . . . . ?
C3 C14 C15 C16 178.4(11) . . . . ?
C14 C15 C16 C17 -6(2) . . . . ?
C15 C16 C17 C18 5(2) . . . . ?
C15 C16 C17 C20 178.2(11) . . . . ?
C16 C17 C18 C19 -5.5(19) . . . . ?
C20 C17 C18 C19 -178.6(11) . . . . ?
C17 C18 C19 C14 7(2) . . . . ?
C15 C14 C19 C18 -8(2) . . . . ?
C3 C14 C19 C18 -178.7(12) . . . . ?
Ag4 O4 C20 O3 -0.5(19) . . . . ?
Ag4 O4 C20 C17 176.9(7) . . . . ?
Ag3 O3 C20 O4 -21.4(19) . . . . ?
Ag5 O3 C20 O4 123.7(12) 4_546 . . . ?
Ag3 O3 C20 C17 161.2(7) . . . . ?
Ag5 O3 C20 C17 -53.6(16) 4_546 . . . ?
C16 C17 C20 O4 -172.8(12) . . . . ?
C18 C17 C20 O4 -0.1(18) . . . . ?
C16 C17 C20 O3 4.9(18) . . . . ?
C18 C17 C20 O3 177.6(12) . . . . ?
C4 C5 C21 C26 -34(2) . . . . ?
C6 C5 C21 C26 156.8(14) . . . . ?
C4 C5 C21 C22 157.3(15) . . . . ?
C6 C5 C21 C22 -12(2) . . . . ?
C26 C21 C22 C23 -4(3) . . . . ?
C5 C21 C22 C23 166.7(18) . . . . ?
C21 C22 C23 C24 -2(3) . . . . ?
C22 C23 C24 C25 7(2) . . . . ?
C22 C23 C24 C27 -172.9(15) . . . . ?
C23 C24 C25 C26 -6(2) . . . . ?
C27 C24 C25 C26 173.9(13) . . . . ?
C22 C21 C26 C25 5(2) . . . . ?
C5 C21 C26 C25 -166.2(13) . . . . ?
C24 C25 C26 C21 0(2) . . . . ?
Ag5 O5 C27 O6 0(2) . . . . ?
Ag5 O5 C27 C24 178.7(11) . . . . ?
Ag6 O6 C27 O5 16(3) . . . . ?
Ag6 O6 C27 C24 -162.9(10) . . . . ?
C25 C24 C27 O5 177.8(15) . . . . ?
C23 C24 C27 O5 -2(3) . . . . ?
C25 C24 C27 O6 -4(2) . . . . ?
C23 C24 C27 O6 176.1(16) . . . . ?
C33 C28 C29 C30 0.6(19) . . . . ?
C34 C28 C29 C30 174.6(11) . . . . ?
C28 C29 C30 C31 0.1(18) . . . . ?
C28 C29 C30 C41 175.1(11) . . . . ?
C29 C30 C31 C32 -0.1(18) . . . . ?
C41 C30 C31 C32 -174.9(12) . . . . ?
C30 C31 C32 C33 -0.5(18) . . . . ?
C30 C31 C32 C48 -174.8(11) . . . . ?
C29 C28 C33 C32 -1.2(19) . . . . ?
C34 C28 C33 C32 -174.8(10) . . . . ?
C31 C32 C33 C28 1.1(18) . . . . ?
C48 C32 C33 C28 175.6(11) . . . . ?
C29 C28 C34 C35 29.0(18) . . . . ?
C33 C28 C34 C35 -157.0(13) . . . . ?
C29 C28 C34 C39 -157.5(12) . . . . ?
C33 C28 C34 C39 16.6(17) . . . . ?
C39 C34 C35 C36 11(2) . . . . ?
C28 C34 C35 C36 -175.9(15) . . . . ?
C34 C35 C36 C37 -1(3) . . . . ?
C35 C36 C37 C38 -6(3) . . . . ?
C35 C36 C37 C40 174.4(15) . . . . ?
C36 C37 C38 C39 3(2) . . . . ?
C40 C37 C38 C39 -177.3(13) . . . . ?
C37 C38 C39 C34 6(2) . . . . ?
C35 C34 C39 C38 -14(2) . . . . ?
C28 C34 C39 C38 173.1(12) . . . . ?
Ag3 O7 C40 O8 3(2) 1_455 . . . ?
Ag3 O7 C40 C37 -166.9(8) 1_455 . . . ?
Ag4 O8 C40 O7 -4(3) 1_455 . . . ?
Ag4 O8 C40 C37 166.4(7) 1_455 . . . ?
C38 C37 C40 O7 -178.1(14) . . . . ?
C36 C37 C40 O7 2(2) . . . . ?
C38 C37 C40 O8 10(2) . . . . ?
C36 C37 C40 O8 -170.5(16) . . . . ?
C31 C30 C41 C46 174.7(15) . . . . ?
C29 C30 C41 C46 0(2) . . . . ?
C31 C30 C41 C42 -18(2) . . . . ?
C29 C30 C41 C42 167.6(14) . . . . ?
C46 C41 C42 C43 -9(2) . . . . ?
C30 C41 C42 C43 -178.9(16) . . . . ?
C41 C42 C43 C44 -3(3) . . . . ?
C42 C43 C44 C45 16(3) . . . . ?
C42 C43 C44 C47 -174.3(16) . . . . ?
C43 C44 C45 C46 -15(3) . . . . ?
C47 C44 C45 C46 174.2(16) . . . . ?
C42 C41 C46 C45 10(2) . . . . ?
C30 C41 C46 C45 178.6(14) . . . . ?
C44 C45 C46 C41 2(3) . . . . ?
Ag2 O9 C47 O10 7(2) 2_516 . . . ?
Ag2 O9 C47 C44 -171.8(10) 2_516 . . . ?
Ag1 O10 C47 O9 0.4(18) 2_516 . . . ?
Ag1 O10 C47 C44 179.4(9) 2_516 . . . ?
C45 C44 C47 O9 -178.8(18) . . . . ?
C43 C44 C47 O9 11(2) . . . . ?
C45 C44 C47 O10 2(2) . . . . ?
C43 C44 C47 O10 -168.2(17) . . . . ?
C31 C32 C48 C49 159.4(12) . . . . ?
C33 C32 C48 C49 -14.9(18) . . . . ?
C31 C32 C48 C53 -28.9(18) . . . . ?
C33 C32 C48 C53 156.8(11) . . . . ?
C53 C48 C49 C50 5.6(17) . . . . ?
C32 C48 C49 C50 177.6(11) . . . . ?
C48 C49 C50 C51 -3.0(19) . . . . ?
C49 C50 C51 C52 -4(2) . . . . ?
C49 C50 C51 C54 -179.3(10) . . . . ?
C50 C51 C52 C53 8(2) . . . . ?
C54 C51 C52 C53 -177.0(12) . . . . ?
C51 C52 C53 C48 -5(2) . . . . ?
C49 C48 C53 C52 -1.9(18) . . . . ?
C32 C48 C53 C52 -174.1(12) . . . . ?
Ag5 O11 C54 O12 2(2) . . . . ?
Ag5 O11 C54 C51 -171.3(8) . . . . ?
Ag6 O12 C54 O11 12(2) . . . . ?
Ag6 O12 C54 C51 -174.0(7) . . . . ?
C52 C51 C54 O11 -178.9(16) . . . . ?
C50 C51 C54 O11 -4(2) . . . . ?
C52 C51 C54 O12 7.2(18) . . . . ?
C50 C51 C54 O12 -177.6(11) . . . . ?
C5D N1D C1D C2D 0.0 . . . . ?
Ag2 N1D C1D C2D 174.4(9) . . . . ?
N1D C1D C2D C3D 0.0 . . . . ?
C1D C2D C3D C4D 0.0 . . . . ?
C1D C2D C3D C6D -176.6(16) . . . . ?
C2D C3D C4D C5D 0.0 . . . . ?
C6D C3D C4D C5D 176(2) . . . . ?
C3D C4D C5D N1D 0.0 . . . . ?
C1D N1D C5D C4D 0.0 . . . . ?
Ag2 N1D C5D C4D -174.3(9) . . . . ?
C4D C3D C6D C6D 24(13) . . . 2_556 ?
C2D C3D C6D C6D -160(11) . . . 2_556 ?
C15D N11D C11D C12D 0.0 . . . . ?
N11D C11D C12D C13D 0.0 . . . . ?
C11D C12D C13D C14D 0.0 . . . . ?
C11D C12D C13D C16D 179.5(19) . . . . ?
C12D C13D C14D C15D 0.0 . . . . ?
C16D C13D C14D C15D -179.5(19) . . . . ?
C13D C14D C15D N11D 0.0 . . . . ?
C11D N11D C15D C14D 0.0 . . . . ?

_refine_diff_density_max         1.042
_refine_diff_density_min         -0.683
_refine_diff_density_rms         0.087



####################################################################### 
# 
# 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_3-AgBTB-dpt
_database_code_depnum_ccdc_archive 'CCDC 2000397'
_audit_update_record             
;
2020-06-04 deposited with the CCDC.	2020-06-19 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            'C251.75 H143.83 Ag24 N17.87 O48'
_chemical_formula_weight         6775.73

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   34.512(7)
_cell_length_b                   5.9589(12)
_cell_length_c                   38.939(19)
_cell_angle_alpha                90
_cell_angle_beta                 104.48(3)
_cell_angle_gamma                90
_cell_volume                     7754(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    18612
_cell_measurement_theta_min      3.048
_cell_measurement_theta_max      27.491

_exptl_crystal_description       rod
_exptl_crystal_colour            pink
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_F_000             3291
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    1.537
_shelx_estimated_absorpt_T_min   0.780
_shelx_estimated_absorpt_T_max   0.900
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.779
_exptl_absorpt_correction_T_max  0.900
_exptl_absorpt_process_details   'Rigaku Rapid Auto'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'imaging plate'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            61289
_diffrn_reflns_av_unetI/netI     0.1558
_diffrn_reflns_av_R_equivalents  0.1775
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_theta_min         3.048
_diffrn_reflns_theta_max         27.490
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measured_fraction_theta_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_point_group_measured_fraction_full 0.977
_reflns_number_total             17170
_reflns_number_gt                7472
_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.
 
 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.
;

_computing_data_collection       'Rigaku Rapid Auto'
_computing_cell_refinement       'Rigaku Rapid Auto'
_computing_data_reduction        'Rigaku Rapid Auto'
_computing_structure_solution    SHELXS
_computing_structure_refinement  SHELXL
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_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)+(0.2000P)²] 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         17170
_refine_ls_number_parameters     787
_refine_ls_number_restraints     324
_refine_ls_R_factor_all          0.2670
_refine_ls_R_factor_gt           0.1703
_refine_ls_wR_factor_ref         0.4501
_refine_ls_wR_factor_gt          0.3946
_refine_ls_goodness_of_fit_ref   1.246
_refine_ls_restrained_S_all      1.306
_refine_ls_shift/su_max          0.001
_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 0.04023(6) 1.9514(4) 0.51002(7) 0.1017(9) Uani 1 1 d . U . . .
Ag2 Ag 0.47089(5) 1.0777(3) 0.51671(5) 0.0698(6) Uani 1 1 d . U . . .
Ag3 Ag 0.78811(4) -1.2900(3) 0.72476(4) 0.0474(4) Uani 1 1 d . U . . .
Ag4 Ag 0.82707(4) -0.8713(3) 0.72219(5) 0.0558(5) Uani 1 1 d . U . . .
Ag5 Ag 0.28843(4) -0.7024(3) 0.72679(4) 0.0506(5) Uani 1 1 d . U . . .
Ag6 Ag 0.32779(4) -1.1223(3) 0.72728(4) 0.0495(5) Uani 1 1 d . U . . .
O1 O 0.4773(3) 0.742(2) 0.5393(4) 0.061(4) Uani 1 1 d . . . . .
O2 O 0.5369(4) 0.654(3) 0.5245(4) 0.079(6) Uani 1 1 d . . . . .
O3 O 0.7658(3) -0.732(2) 0.7057(3) 0.040(3) Uani 1 1 d . . . . .
O4 O 0.7376(3) -1.053(2) 0.7212(3) 0.036(3) Uani 1 1 d . . . . .
O5 O 0.3751(3) -0.889(2) 0.7305(3) 0.044(3) Uani 1 1 d . . . . .
O6 O 0.3458(3) -0.5575(19) 0.7216(3) 0.035(3) Uani 1 1 d . . . . .
O7 O 0.1545(3) 0.436(2) 0.2812(3) 0.041(3) Uani 1 1 d . U . . .
O8 O 0.1234(3) 0.107(2) 0.2707(4) 0.047(3) Uani 1 1 d . . . . .
O9 O -0.0454(4) 1.720(2) 0.4629(4) 0.068(4) Uani 1 1 d . . . . .
O10 O 0.0206(4) 1.665(3) 0.4735(4) 0.068(4) Uani 1 1 d . . . . .
O11 O -0.2383(3) -0.059(2) 0.2780(3) 0.036(3) Uani 1 1 d . U . . .
O12 O -0.2672(3) 0.255(2) 0.2898(3) 0.038(3) Uani 1 1 d . . . . .
C1 C 0.5388(5) -0.111(3) 0.6426(4) 0.038(4) Uani 1 1 d . U . . .
C2 C 0.5750(5) -0.223(3) 0.6510(4) 0.031(4) Uani 1 1 d . . . . .
H2 H 0.595019 -0.182670 0.639324 0.037 Uiso 1 1 calc R U . . .
C3 C 0.5825(4) -0.387(3) 0.6752(4) 0.033(4) Uani 1 1 d . . . . .
C4 C 0.5512(5) -0.447(3) 0.6913(4) 0.033(4) Uani 1 1 d . U . . .
H4 H 0.556261 -0.562642 0.708641 0.040 Uiso 1 1 calc R U . . .
C4D C 0.3479(10) 1.103(6) 0.5396(9) 0.079(10) Uani 0.7447 1 d . U P . .
H4D H 0.329106 0.996280 0.543610 0.095 Uiso 0.7447 1 calc R U P . .
C5 C 0.5144(4) -0.348(3) 0.6832(4) 0.022(3) Uani 1 1 d . U . . .
C6 C 0.5075(5) -0.176(3) 0.6567(5) 0.045(5) Uani 1 1 d . . . . .
H6 H 0.481969 -0.107521 0.648932 0.054 Uiso 1 1 calc R U . . .
C7 C 0.5320(5) 0.073(3) 0.6158(5) 0.038(4) Uani 1 1 d . . . . .
C8 C 0.5503(5) 0.084(4) 0.5880(5) 0.052(5) Uani 1 1 d . U . . .
H8 H 0.567834 -0.032485 0.584733 0.062 Uiso 1 1 calc R U . . .
C9 C 0.5432(6) 0.259(4) 0.5659(7) 0.071(7) Uani 1 1 d . . . . .
H9 H 0.557640 0.266159 0.548055 0.085 Uiso 1 1 calc R U . . .
C10 C 0.5174(5) 0.425(3) 0.5669(5) 0.040(4) Uani 1 1 d . . . . .
C11 C 0.4963(6) 0.423(4) 0.5937(5) 0.051(5) Uani 1 1 d . U . . .
H11 H 0.477253 0.536353 0.594799 0.061 Uiso 1 1 calc R U . . .
C12 C 0.5047(6) 0.249(3) 0.6187(5) 0.052(5) Uani 1 1 d . U . . .
H12 H 0.492009 0.246861 0.637754 0.062 Uiso 1 1 calc R U . . .
C13 C 0.5087(6) 0.628(4) 0.5409(5) 0.048(5) Uani 1 1 d . U . . .
C14 C 0.6216(4) -0.512(3) 0.6848(4) 0.028(4) Uani 1 1 d . . . . .
C15 C 0.6260(5) -0.735(3) 0.6983(4) 0.031(4) Uani 1 1 d . U . . .
H15 H 0.603343 -0.811867 0.702052 0.038 Uiso 1 1 calc R U . . .
C16 C 0.6611(4) -0.837(3) 0.7057(4) 0.033(4) Uani 1 1 d . . . . .
H16 H 0.662826 -0.986015 0.714546 0.040 Uiso 1 1 calc R U . . .
C17 C 0.6974(5) -0.729(3) 0.7010(4) 0.041(4) Uani 1 1 d . . . . .
C18 C 0.6942(4) -0.518(3) 0.6874(4) 0.030(4) Uani 1 1 d . . . . .
H18 H 0.716925 -0.444523 0.683018 0.036 Uiso 1 1 calc R U . . .
C19 C 0.6568(5) -0.410(3) 0.6799(4) 0.035(4) Uani 1 1 d . U . . .
H19 H 0.655082 -0.260181 0.671162 0.042 Uiso 1 1 calc R U . . .
C20 C 0.7352(5) -0.852(3) 0.7102(4) 0.032(4) Uani 1 1 d . U . . .
C21 C 0.4816(5) -0.429(3) 0.6976(4) 0.034(4) Uani 1 1 d . U . . .
C22 C 0.4481(5) -0.299(3) 0.6967(5) 0.040(4) Uani 1 1 d . . . . .
H22 H 0.447729 -0.148590 0.688397 0.048 Uiso 1 1 calc R U . . .
C23 C 0.4170(5) -0.372(3) 0.7067(5) 0.044(5) Uani 1 1 d . U . . .
H23 H 0.394750 -0.275013 0.704895 0.053 Uiso 1 1 calc R U . . .
C24 C 0.4153(4) -0.584(3) 0.7195(4) 0.033(4) Uani 1 1 d . . . . .
C25 C 0.4481(4) -0.720(3) 0.7231(4) 0.034(4) Uani 1 1 d . . . . .
H25 H 0.448301 -0.866739 0.732577 0.041 Uiso 1 1 calc R U . . .
C26 C 0.4807(5) -0.639(3) 0.7125(5) 0.045(5) Uani 1 1 d . . . . .
H26 H 0.503664 -0.731762 0.715621 0.054 Uiso 1 1 calc R U . . .
C27 C 0.3764(5) -0.680(4) 0.7249(4) 0.041(4) Uani 1 1 d . U . . .
C28 C -0.0152(5) 0.644(3) 0.3181(5) 0.041(4) Uani 1 1 d . U . . .
C29 C -0.0097(5) 0.823(4) 0.3446(5) 0.055(6) Uani 1 1 d . . . . .
H29 H 0.015229 0.899305 0.351761 0.066 Uiso 1 1 calc R U . . .
C30 C -0.0408(5) 0.881(3) 0.3591(4) 0.034(4) Uani 1 1 d . U . . .
C31 C -0.0777(4) 0.779(3) 0.3486(5) 0.048(5) Uani 1 1 d . . . . .
H31 H -0.098876 0.823406 0.358644 0.057 Uiso 1 1 calc R U . . .
C32 C -0.0838(5) 0.605(3) 0.3227(5) 0.037(4) Uani 1 1 d . U . . .
C33 C -0.0531(4) 0.544(3) 0.3087(5) 0.038(4) Uani 1 1 d . . . . .
H33 H -0.057670 0.428269 0.291414 0.045 Uiso 1 1 calc R U . . .
C34 C 0.0185(5) 0.568(3) 0.3037(5) 0.040(4) Uani 1 1 d . U . . .
C35 C 0.0533(5) 0.697(4) 0.3079(5) 0.053(6) Uani 1 1 d . . . . .
H35 H 0.054592 0.842675 0.318173 0.064 Uiso 1 1 calc R U . . .
C36 C 0.0858(5) 0.614(4) 0.2970(5) 0.050(5) Uani 1 1 d . U . . .
H36 H 0.108103 0.710920 0.298832 0.060 Uiso 1 1 calc R U . . .
C37 C 0.0879(4) 0.408(3) 0.2841(5) 0.042(5) Uani 1 1 d . . . . .
C38 C 0.0532(6) 0.284(4) 0.2802(5) 0.058(5) Uani 1 1 d . U . . .
H38 H 0.052302 0.136729 0.270668 0.070 Uiso 1 1 calc R U . . .
C39 C 0.0203(4) 0.363(3) 0.2895(5) 0.045(5) Uani 1 1 d . . . . .
H39 H -0.002611 0.268750 0.285779 0.055 Uiso 1 1 calc R U . . .
C40 C 0.1248(4) 0.321(3) 0.2795(5) 0.037(4) Uani 1 1 d . U . . .
C41 C -0.0340(5) 1.064(3) 0.3851(5) 0.045(5) Uani 1 1 d . . . . .
C42 C -0.0661(7) 1.201(4) 0.3895(6) 0.069(6) Uani 1 1 d . U . . .
H42 H -0.092253 1.170891 0.375328 0.083 Uiso 1 1 calc R U . . .
C43 C -0.0608(7) 1.373(3) 0.4131(5) 0.059(6) Uani 1 1 d . . . . .
H43 H -0.083108 1.463053 0.414191 0.070 Uiso 1 1 calc R U . . .
C44 C -0.0227(5) 1.421(4) 0.4362(5) 0.054(5) Uani 1 1 d . . . . .
C45 C 0.0067(6) 1.258(4) 0.4355(6) 0.062(6) Uani 1 1 d . U . . .
H45 H 0.031317 1.264853 0.453032 0.075 Uiso 1 1 calc R U . . .
C46 C 0.0014(6) 1.092(5) 0.4108(6) 0.076(8) Uani 1 1 d . . . . .
H46 H 0.022826 0.990768 0.411266 0.092 Uiso 1 1 calc R U . . .
C47 C -0.0154(5) 1.621(3) 0.4588(5) 0.050(5) Uani 1 1 d . . . . .
C48 C -0.1240(5) 0.487(3) 0.3131(5) 0.042(4) Uani 1 1 d . U . . .
C49 C -0.1263(4) 0.269(3) 0.2987(5) 0.047(5) Uani 1 1 d . . . . .
H49 H -0.103194 0.196776 0.294803 0.056 Uiso 1 1 calc R U . . .
C50 C -0.1624(5) 0.165(3) 0.2907(4) 0.037(4) Uani 1 1 d . U . . .
H50 H -0.164246 0.016747 0.281298 0.045 Uiso 1 1 calc R U . . .
C51 C -0.1975(4) 0.269(3) 0.2957(4) 0.029(4) Uani 1 1 d . U . . .
C52 C -0.1930(4) 0.477(3) 0.3102(4) 0.033(4) Uani 1 1 d . U . . .
H52 H -0.215652 0.548296 0.315085 0.040 Uiso 1 1 calc R U . . .
C53 C -0.1584(5) 0.583(3) 0.3177(5) 0.046(5) Uani 1 1 d . U . . .
H53 H -0.157372 0.732150 0.326643 0.055 Uiso 1 1 calc R U . . .
C54 C -0.2376(4) 0.143(3) 0.2876(4) 0.032(4) Uani 1 1 d . U . . .
N1D N 0.4130(9) 1.184(6) 0.5322(7) 0.088(9) Uani 0.7447 1 d . U P . .
C1D C 0.4018(7) 1.379(5) 0.5239(7) 0.049(7) Uani 0.7447 1 d . U P . .
H1D H 0.420288 1.487853 0.519892 0.059 Uiso 0.7447 1 calc R U P . .
C2D C 0.3654(9) 1.431(7) 0.5208(9) 0.082(10) Uani 0.7447 1 d . U P . .
H2D H 0.357510 1.572014 0.509960 0.099 Uiso 0.7447 1 calc R U P . .
C3D C 0.3368(7) 1.318(5) 0.5305(7) 0.053(7) Uani 0.7447 1 d . U P . .
C5D C 0.3844(9) 1.051(6) 0.5427(8) 0.067(8) Uani 0.7447 1 d . U P . .
H5D H 0.393028 0.908698 0.552914 0.081 Uiso 0.7447 1 calc R U P . .
C11D C 0.2967(5) 1.397(4) 0.5254(6) 0.072(9) Uani 0.7447 1 d G U P . .
N3D N 0.2866(6) 1.613(4) 0.5124(6) 0.132(13) Uani 0.7447 1 d G U P . .
N4D N 0.2482(7) 1.694(3) 0.5095(7) 0.118(12) Uani 0.7447 1 d G U P . .
C12D C 0.2199(5) 1.560(4) 0.5196(7) 0.107(13) Uani 0.7447 1 d G U P . .
N5D N 0.2300(6) 1.345(4) 0.5325(6) 0.093(9) Uani 0.7447 1 d G U P . .
N6D N 0.2684(6) 1.264(3) 0.5354(6) 0.113(11) Uani 0.7447 1 d G U P . .
N2D N 0.1052(5) 1.799(4) 0.5143(6) 0.088(9) Uani 0.7447 1 d G U P . .
C6D C 0.1150(5) 1.578(4) 0.5239(6) 0.085(10) Uani 0.7447 1 d G U P . .
H6D H 0.095550 1.480256 0.529259 0.102 Uiso 0.7447 1 calc R U P . .
C7D C 0.1534(6) 1.499(3) 0.5256(6) 0.074(9) Uani 0.7447 1 d G U P . .
H7D H 0.160107 1.347391 0.532221 0.089 Uiso 0.7447 1 calc R U P . .
C8D C 0.1819(5) 1.641(5) 0.5178(6) 0.077(9) Uani 0.7447 1 d G U P . .
C9D C 0.1720(7) 1.862(4) 0.5082(7) 0.113(14) Uani 0.7447 1 d G U P . .
H9D H 0.191513 1.959847 0.502808 0.135 Uiso 0.7447 1 calc R U P . .
C10D C 0.1337(8) 1.941(3) 0.5064(7) 0.25(4) Uani 0.7447 1 d G U P . .
H10D H 0.126956 2.092716 0.499845 0.303 Uiso 0.7447 1 calc R U 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 O9 2.211(13) 3_596 ?
Ag1 O10 2.218(15) . ?
Ag1 N2D 2.386(15) . ?
Ag1 Ag1 2.752(4) 3_596 ?
Ag2 O1 2.174(14) . ?
Ag2 O2 2.233(12) 3_676 ?
Ag2 N1D 2.31(3) . ?
Ag2 Ag2 2.810(4) 3_676 ?
Ag3 O4 2.221(10) . ?
Ag3 O7 2.225(10) 3_646 ?
Ag3 Ag4 2.848(2) . ?
Ag4 O8 2.177(11) 3_646 ?
Ag4 O3 2.211(10) . ?
Ag5 O11 2.212(11) 3_546 ?
Ag5 O6 2.215(9) . ?
Ag5 O4 2.572(11) 2_656 ?
Ag5 Ag6 2.844(2) . ?
Ag6 O5 2.123(11) . ?
Ag6 O12 2.179(10) 3_546 ?
O1 C13 1.27(2) . ?
O2 C13 1.30(2) . ?
O3 C20 1.321(19) . ?
O4 C20 1.27(2) . ?
O5 C27 1.27(2) . ?
O6 C27 1.26(2) . ?
O7 C40 1.220(18) . ?
O8 C40 1.32(2) . ?
O9 C47 1.24(2) . ?
O10 C47 1.26(2) . ?
O11 C54 1.26(2) . ?
O12 C54 1.239(18) . ?
C1 C2 1.38(2) . ?
C1 C6 1.38(2) . ?
C1 C7 1.49(2) . ?
C2 C3 1.34(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.42(2) . ?
C3 C14 1.51(2) . ?
C4 C5 1.36(2) . ?
C4 H4 0.9500 . ?
C4D C5D 1.28(4) . ?
C4D C3D 1.36(4) . ?
C4D H4D 0.9500 . ?
C5 C6 1.43(2) . ?
C5 C21 1.463(19) . ?
C6 H6 0.9500 . ?
C7 C8 1.38(2) . ?
C7 C12 1.43(3) . ?
C8 C9 1.34(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.34(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.42(2) . ?
C10 C13 1.55(3) . ?
C11 C12 1.41(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C14 C19 1.412(19) . ?
C14 C15 1.42(2) . ?
C15 C16 1.32(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.46(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.36(2) . ?
C17 C20 1.46(2) . ?
C18 C19 1.41(2) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C21 C26 1.38(2) . ?
C21 C22 1.38(2) . ?
C22 C23 1.31(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.36(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.37(2) . ?
C24 C27 1.52(2) . ?
C25 C26 1.38(2) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C28 C33 1.40(2) . ?
C28 C29 1.47(2) . ?
C28 C34 1.48(2) . ?
C29 C30 1.38(2) . ?
C29 H29 0.9500 . ?
C30 C31 1.38(2) . ?
C30 C41 1.47(3) . ?
C31 C32 1.42(2) . ?
C31 H31 0.9500 . ?
C32 C33 1.36(2) . ?
C32 C48 1.52(2) . ?
C33 H33 0.9500 . ?
C34 C39 1.35(2) . ?
C34 C35 1.40(2) . ?
C35 C36 1.38(2) . ?
C35 H35 0.9500 . ?
C36 C37 1.34(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.38(2) . ?
C37 C40 1.43(2) . ?
C38 C39 1.36(2) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C41 C46 1.38(3) . ?
C41 C42 1.42(3) . ?
C42 C43 1.36(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.43(3) . ?
C43 H43 0.9500 . ?
C44 C45 1.41(3) . ?
C44 C47 1.46(3) . ?
C45 C46 1.36(3) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C48 C53 1.37(2) . ?
C48 C49 1.41(3) . ?
C49 C50 1.36(2) . ?
C49 H49 0.9500 . ?
C50 C51 1.42(2) . ?
C50 H50 0.9500 . ?
C51 C52 1.35(2) . ?
C51 C54 1.54(2) . ?
C52 C53 1.32(2) . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
N1D C1D 1.24(4) . ?
N1D C5D 1.40(4) . ?
C1D C2D 1.27(4) . ?
C1D H1D 0.9500 . ?
C2D C3D 1.32(4) . ?
C2D H2D 0.9500 . ?
C3D C11D 1.43(3) . ?
C5D H5D 0.9500 . ?
C11D N3D 1.3900 . ?
C11D N6D 1.3900 . ?
N3D N4D 1.3900 . ?
N4D C12D 1.3900 . ?
C12D C8D 1.38(2) . ?
C12D N5D 1.3900 . ?
N5D N6D 1.3900 . ?
N2D C6D 1.3900 . ?
N2D C10D 1.3900 . ?
C6D C7D 1.3900 . ?
C6D H6D 0.9500 . ?
C7D C8D 1.3900 . ?
C7D H7D 0.9500 . ?
C8D C9D 1.3900 . ?
C9D C10D 1.3900 . ?
C9D H9D 0.9500 . ?
C10D H10D 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O9 Ag1 O10 164.6(6) 3_596 . ?
O9 Ag1 N2D 110.0(7) 3_596 . ?
O10 Ag1 N2D 83.3(7) . . ?
O9 Ag1 Ag1 84.5(4) 3_596 3_596 ?
O10 Ag1 Ag1 81.7(4) . 3_596 ?
N2D Ag1 Ag1 164.5(6) . 3_596 ?
O1 Ag2 O2 158.7(7) . 3_676 ?
O1 Ag2 N1D 98.7(9) . . ?
O2 Ag2 N1D 92.0(8) 3_676 . ?
O1 Ag2 Ag2 82.7(4) . 3_676 ?
O2 Ag2 Ag2 82.9(4) 3_676 3_676 ?
N1D Ag2 Ag2 167.0(7) . 3_676 ?
O4 Ag3 O7 161.1(5) . 3_646 ?
O4 Ag3 Ag4 79.1(3) . . ?
O7 Ag3 Ag4 84.2(3) 3_646 . ?
O8 Ag4 O3 160.4(5) 3_646 . ?
O8 Ag4 Ag3 78.0(3) 3_646 . ?
O3 Ag4 Ag3 85.0(3) . . ?
O11 Ag5 O6 160.3(4) 3_546 . ?
O11 Ag5 O4 82.5(4) 3_546 2_656 ?
O6 Ag5 O4 115.6(4) . 2_656 ?
O11 Ag5 Ag6 78.2(3) 3_546 . ?
O6 Ag5 Ag6 84.7(3) . . ?
O4 Ag5 Ag6 124.0(3) 2_656 . ?
O5 Ag6 O12 157.0(5) . 3_546 ?
O5 Ag6 Ag5 77.5(3) . . ?
O12 Ag6 Ag5 84.1(3) 3_546 . ?
C13 O1 Ag2 120.9(12) . . ?
C13 O2 Ag2 117.9(12) . 3_676 ?
C20 O3 Ag4 119.8(11) . . ?
C20 O4 Ag3 127.3(10) . . ?
C20 O4 Ag5 125.9(9) . 2_646 ?
Ag3 O4 Ag5 98.8(4) . 2_646 ?
C27 O5 Ag6 133.9(11) . . ?
C27 O6 Ag5 120.7(12) . . ?
C40 O7 Ag3 122.3(12) . 3_646 ?
C40 O8 Ag4 127.9(9) . 3_646 ?
C47 O9 Ag1 120.8(12) . 3_596 ?
C47 O10 Ag1 124.1(12) . . ?
C54 O11 Ag5 126.7(10) . 3_546 ?
C54 O12 Ag6 121.9(11) . 3_546 ?
C2 C1 C6 121.3(16) . . ?
C2 C1 C7 119.9(14) . . ?
C6 C1 C7 118.7(15) . . ?
C3 C2 C1 121.7(14) . . ?
C3 C2 H2 119.1 . . ?
C1 C2 H2 119.1 . . ?
C2 C3 C4 117.4(15) . . ?
C2 C3 C14 122.6(14) . . ?
C4 C3 C14 120.0(15) . . ?
C5 C4 C3 123.8(16) . . ?
C5 C4 H4 118.1 . . ?
C3 C4 H4 118.1 . . ?
C5D C4D C3D 118(3) . . ?
C5D C4D H4D 121.2 . . ?
C3D C4D H4D 121.2 . . ?
C4 C5 C6 116.9(13) . . ?
C4 C5 C21 122.4(14) . . ?
C6 C5 C21 120.4(13) . . ?
C1 C6 C5 118.8(14) . . ?
C1 C6 H6 120.6 . . ?
C5 C6 H6 120.6 . . ?
C8 C7 C12 117.7(17) . . ?
C8 C7 C1 124.0(17) . . ?
C12 C7 C1 118.3(16) . . ?
C9 C8 C7 120(2) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C8 C9 C10 125(2) . . ?
C8 C9 H9 117.5 . . ?
C10 C9 H9 117.5 . . ?
C9 C10 C11 119.1(17) . . ?
C9 C10 C13 125.2(17) . . ?
C11 C10 C13 115.7(16) . . ?
C12 C11 C10 117.6(18) . . ?
C12 C11 H11 121.2 . . ?
C10 C11 H11 121.2 . . ?
C11 C12 C7 120.8(19) . . ?
C11 C12 H12 119.6 . . ?
C7 C12 H12 119.6 . . ?
O1 C13 O2 130.3(18) . . ?
O1 C13 C10 118.2(17) . . ?
O2 C13 C10 111.5(16) . . ?
C19 C14 C15 115.9(14) . . ?
C19 C14 C3 120.1(15) . . ?
C15 C14 C3 124.0(13) . . ?
C16 C15 C14 121.2(15) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C15 C16 C17 122.6(17) . . ?
C15 C16 H16 118.7 . . ?
C17 C16 H16 118.7 . . ?
C18 C17 C16 117.9(16) . . ?
C18 C17 C20 122.8(16) . . ?
C16 C17 C20 119.2(17) . . ?
C17 C18 C19 119.1(15) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C18 C19 C14 123.2(16) . . ?
C18 C19 H19 118.4 . . ?
C14 C19 H19 118.4 . . ?
O4 C20 O3 124.7(15) . . ?
O4 C20 C17 122.4(15) . . ?
O3 C20 C17 112.9(16) . . ?
C26 C21 C22 114.2(15) . . ?
C26 C21 C5 123.9(15) . . ?
C22 C21 C5 121.9(16) . . ?
C23 C22 C21 123.3(18) . . ?
C23 C22 H22 118.4 . . ?
C21 C22 H22 118.4 . . ?
C22 C23 C24 122.2(17) . . ?
C22 C23 H23 118.9 . . ?
C24 C23 H23 118.9 . . ?
C23 C24 C25 118.3(15) . . ?
C23 C24 C27 121.1(16) . . ?
C25 C24 C27 120.0(16) . . ?
C24 C25 C26 118.6(16) . . ?
C24 C25 H25 120.7 . . ?
C26 C25 H25 120.7 . . ?
C25 C26 C21 123.2(15) . . ?
C25 C26 H26 118.4 . . ?
C21 C26 H26 118.4 . . ?
O6 C27 O5 121.2(16) . . ?
O6 C27 C24 121.0(18) . . ?
O5 C27 C24 117.6(16) . . ?
C33 C28 C29 116.1(15) . . ?
C33 C28 C34 122.8(16) . . ?
C29 C28 C34 121.0(15) . . ?
C30 C29 C28 119.8(15) . . ?
C30 C29 H29 120.1 . . ?
C28 C29 H29 120.1 . . ?
C29 C30 C31 121.5(15) . . ?
C29 C30 C41 117.7(15) . . ?
C31 C30 C41 120.7(14) . . ?
C30 C31 C32 119.7(14) . . ?
C30 C31 H31 120.2 . . ?
C32 C31 H31 120.2 . . ?
C33 C32 C31 119.1(15) . . ?
C33 C32 C48 122.5(17) . . ?
C31 C32 C48 118.3(14) . . ?
C32 C33 C28 123.7(17) . . ?
C32 C33 H33 118.1 . . ?
C28 C33 H33 118.1 . . ?
C39 C34 C35 114.8(15) . . ?
C39 C34 C28 123.6(16) . . ?
C35 C34 C28 121.2(17) . . ?
C36 C35 C34 120.2(18) . . ?
C36 C35 H35 119.9 . . ?
C34 C35 H35 119.9 . . ?
C37 C36 C35 124.6(17) . . ?
C37 C36 H36 117.7 . . ?
C35 C36 H36 117.7 . . ?
C36 C37 C38 113.8(17) . . ?
C36 C37 C40 121.0(15) . . ?
C38 C37 C40 124.7(19) . . ?
C39 C38 C37 123(2) . . ?
C39 C38 H38 118.5 . . ?
C37 C38 H38 118.5 . . ?
C34 C39 C38 123.4(17) . . ?
C34 C39 H39 118.3 . . ?
C38 C39 H39 118.3 . . ?
O7 C40 O8 122.1(14) . . ?
O7 C40 C37 123.7(18) . . ?
O8 C40 C37 114.0(14) . . ?
C46 C41 C42 115(2) . . ?
C46 C41 C30 123.1(17) . . ?
C42 C41 C30 121.1(17) . . ?
C43 C42 C41 123(2) . . ?
C43 C42 H42 118.7 . . ?
C41 C42 H42 118.7 . . ?
C42 C43 C44 122(2) . . ?
C42 C43 H43 119.1 . . ?
C44 C43 H43 119.1 . . ?
C45 C44 C43 113.6(19) . . ?
C45 C44 C47 123.9(17) . . ?
C43 C44 C47 122.5(18) . . ?
C46 C45 C44 123(2) . . ?
C46 C45 H45 118.4 . . ?
C44 C45 H45 118.4 . . ?
C45 C46 C41 122(2) . . ?
C45 C46 H46 118.9 . . ?
C41 C46 H46 118.9 . . ?
O9 C47 O10 127.3(18) . . ?
O9 C47 C44 116.2(16) . . ?
O10 C47 C44 116.3(16) . . ?
C53 C48 C49 118.2(16) . . ?
C53 C48 C32 123.1(18) . . ?
C49 C48 C32 118.6(15) . . ?
C50 C49 C48 118.0(16) . . ?
C50 C49 H49 121.0 . . ?
C48 C49 H49 121.0 . . ?
C49 C50 C51 122.4(17) . . ?
C49 C50 H50 118.8 . . ?
C51 C50 H50 118.8 . . ?
C52 C51 C50 116.5(14) . . ?
C52 C51 C54 122.3(14) . . ?
C50 C51 C54 121.1(16) . . ?
C53 C52 C51 122.4(16) . . ?
C53 C52 H52 118.8 . . ?
C51 C52 H52 118.8 . . ?
C52 C53 C48 122.4(19) . . ?
C52 C53 H53 118.8 . . ?
C48 C53 H53 118.8 . . ?
O12 C54 O11 125.3(14) . . ?
O12 C54 C51 116.1(16) . . ?
O11 C54 C51 118.5(14) . . ?
C1D N1D C5D 114(3) . . ?
C1D N1D Ag2 115(2) . . ?
C5D N1D Ag2 130(2) . . ?
N1D C1D C2D 119(3) . . ?
N1D C1D H1D 120.4 . . ?
C2D C1D H1D 120.4 . . ?
C1D C2D C3D 130(4) . . ?
C1D C2D H2D 115.1 . . ?
C3D C2D H2D 115.1 . . ?
C2D C3D C4D 112(3) . . ?
C2D C3D C11D 124(3) . . ?
C4D C3D C11D 123(3) . . ?
C4D C5D N1D 126(4) . . ?
C4D C5D H5D 117.1 . . ?
N1D C5D H5D 117.1 . . ?
N3D C11D N6D 120.0 . . ?
N3D C11D C3D 120(2) . . ?
N6D C11D C3D 120(2) . . ?
N4D N3D C11D 120.0 . . ?
N3D N4D C12D 120.0 . . ?
C8D C12D N4D 121(2) . . ?
C8D C12D N5D 119(2) . . ?
N4D C12D N5D 120.0 . . ?
C12D N5D N6D 120.0 . . ?
N5D N6D C11D 120.0 . . ?
C6D N2D C10D 120.0 . . ?
C6D N2D Ag1 122.8(13) . . ?
C10D N2D Ag1 117.2(13) . . ?
C7D C6D N2D 120.0 . . ?
C7D C6D H6D 120.0 . . ?
N2D C6D H6D 120.0 . . ?
C6D C7D C8D 120.0 . . ?
C6D C7D H7D 120.0 . . ?
C8D C7D H7D 120.0 . . ?
C12D C8D C9D 121(2) . . ?
C12D C8D C7D 119(2) . . ?
C9D C8D C7D 120.0 . . ?
C8D C9D C10D 120.0 . . ?
C8D C9D H9D 120.0 . . ?
C10D C9D H9D 120.0 . . ?
C9D C10D N2D 120.0 . . ?
C9D C10D H10D 120.0 . . ?
N2D C10D H10D 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -5(3) . . . . ?
C7 C1 C2 C3 179.0(16) . . . . ?
C1 C2 C3 C4 2(3) . . . . ?
C1 C2 C3 C14 179.7(16) . . . . ?
C2 C3 C4 C5 0(3) . . . . ?
C14 C3 C4 C5 -177.5(15) . . . . ?
C3 C4 C5 C6 1(3) . . . . ?
C3 C4 C5 C21 173.8(16) . . . . ?
C2 C1 C6 C5 6(3) . . . . ?
C7 C1 C6 C5 -178.1(16) . . . . ?
C4 C5 C6 C1 -4(3) . . . . ?
C21 C5 C6 C1 -177.2(17) . . . . ?
C2 C1 C7 C8 29(3) . . . . ?
C6 C1 C7 C8 -146.9(19) . . . . ?
C2 C1 C7 C12 -151.7(17) . . . . ?
C6 C1 C7 C12 33(2) . . . . ?
C12 C7 C8 C9 2(3) . . . . ?
C1 C7 C8 C9 -178.1(18) . . . . ?
C7 C8 C9 C10 -4(4) . . . . ?
C8 C9 C10 C11 2(4) . . . . ?
C8 C9 C10 C13 -179(2) . . . . ?
C9 C10 C11 C12 2(3) . . . . ?
C13 C10 C11 C12 -177.2(16) . . . . ?
C10 C11 C12 C7 -3(3) . . . . ?
C8 C7 C12 C11 1(3) . . . . ?
C1 C7 C12 C11 -178.4(17) . . . . ?
Ag2 O1 C13 O2 -16(3) . . . . ?
Ag2 O1 C13 C10 161.8(13) . . . . ?
Ag2 O2 C13 O1 -5(3) 3_676 . . . ?
Ag2 O2 C13 C10 176.4(12) 3_676 . . . ?
C9 C10 C13 O1 163(2) . . . . ?
C11 C10 C13 O1 -18(3) . . . . ?
C9 C10 C13 O2 -18(3) . . . . ?
C11 C10 C13 O2 160.8(17) . . . . ?
C2 C3 C14 C19 25(2) . . . . ?
C4 C3 C14 C19 -156.8(16) . . . . ?
C2 C3 C14 C15 -153.6(16) . . . . ?
C4 C3 C14 C15 24(2) . . . . ?
C19 C14 C15 C16 0(2) . . . . ?
C3 C14 C15 C16 179.1(16) . . . . ?
C14 C15 C16 C17 1(3) . . . . ?
C15 C16 C17 C18 -2(3) . . . . ?
C15 C16 C17 C20 179.3(16) . . . . ?
C16 C17 C18 C19 3(2) . . . . ?
C20 C17 C18 C19 -178.7(15) . . . . ?
C17 C18 C19 C14 -2(2) . . . . ?
C15 C14 C19 C18 1(2) . . . . ?
C3 C14 C19 C18 -178.4(15) . . . . ?
Ag3 O4 C20 O3 -14(2) . . . . ?
Ag5 O4 C20 O3 127.6(13) 2_646 . . . ?
Ag3 O4 C20 C17 165.0(11) . . . . ?
Ag5 O4 C20 C17 -53(2) 2_646 . . . ?
Ag4 O3 C20 O4 -6(2) . . . . ?
Ag4 O3 C20 C17 174.8(10) . . . . ?
C18 C17 C20 O4 -176.2(16) . . . . ?
C16 C17 C20 O4 3(2) . . . . ?
C18 C17 C20 O3 3(2) . . . . ?
C16 C17 C20 O3 -178.0(14) . . . . ?
C4 C5 C21 C26 -18(3) . . . . ?
C6 C5 C21 C26 155.4(18) . . . . ?
C4 C5 C21 C22 163.7(17) . . . . ?
C6 C5 C21 C22 -23(3) . . . . ?
C26 C21 C22 C23 -5(3) . . . . ?
C5 C21 C22 C23 174.2(18) . . . . ?
C21 C22 C23 C24 1(3) . . . . ?
C22 C23 C24 C25 2(3) . . . . ?
C22 C23 C24 C27 -169.2(18) . . . . ?
C23 C24 C25 C26 -2(3) . . . . ?
C27 C24 C25 C26 169.6(16) . . . . ?
C24 C25 C26 C21 -2(3) . . . . ?
C22 C21 C26 C25 5(3) . . . . ?
C5 C21 C26 C25 -174.0(17) . . . . ?
Ag5 O6 C27 O5 1(2) . . . . ?
Ag5 O6 C27 C24 176.8(11) . . . . ?
Ag6 O5 C27 O6 13(3) . . . . ?
Ag6 O5 C27 C24 -162.4(11) . . . . ?
C23 C24 C27 O6 -9(3) . . . . ?
C25 C24 C27 O6 -179.8(16) . . . . ?
C23 C24 C27 O5 167.0(17) . . . . ?
C25 C24 C27 O5 -4(2) . . . . ?
C33 C28 C29 C30 1(3) . . . . ?
C34 C28 C29 C30 -176.1(19) . . . . ?
C28 C29 C30 C31 -2(3) . . . . ?
C28 C29 C30 C41 -179.0(17) . . . . ?
C29 C30 C31 C32 1(3) . . . . ?
C41 C30 C31 C32 178.5(17) . . . . ?
C30 C31 C32 C33 0(3) . . . . ?
C30 C31 C32 C48 177.0(17) . . . . ?
C31 C32 C33 C28 0(3) . . . . ?
C48 C32 C33 C28 -177.3(17) . . . . ?
C29 C28 C33 C32 0(3) . . . . ?
C34 C28 C33 C32 176.9(18) . . . . ?
C33 C28 C34 C39 -21(3) . . . . ?
C29 C28 C34 C39 156(2) . . . . ?
C33 C28 C34 C35 166.8(19) . . . . ?
C29 C28 C34 C35 -16(3) . . . . ?
C39 C34 C35 C36 1(3) . . . . ?
C28 C34 C35 C36 174.3(18) . . . . ?
C34 C35 C36 C37 -4(3) . . . . ?
C35 C36 C37 C38 4(3) . . . . ?
C35 C36 C37 C40 -168.5(19) . . . . ?
C36 C37 C38 C39 -1(3) . . . . ?
C40 C37 C38 C39 171(2) . . . . ?
C35 C34 C39 C38 1(3) . . . . ?
C28 C34 C39 C38 -172(2) . . . . ?
C37 C38 C39 C34 -1(3) . . . . ?
Ag3 O7 C40 O8 -7(2) 3_646 . . . ?
Ag3 O7 C40 C37 178.4(13) 3_646 . . . ?
Ag4 O8 C40 O7 27(3) 3_646 . . . ?
Ag4 O8 C40 C37 -157.4(12) 3_646 . . . ?
C36 C37 C40 O7 -13(3) . . . . ?
C38 C37 C40 O7 175.9(19) . . . . ?
C36 C37 C40 O8 172.3(18) . . . . ?
C38 C37 C40 O8 1(3) . . . . ?
C29 C30 C41 C46 -40(3) . . . . ?
C31 C30 C41 C46 143(2) . . . . ?
C29 C30 C41 C42 151(2) . . . . ?
C31 C30 C41 C42 -26(3) . . . . ?
C46 C41 C42 C43 11(3) . . . . ?
C30 C41 C42 C43 -179(2) . . . . ?
C41 C42 C43 C44 -3(4) . . . . ?
C42 C43 C44 C45 -8(3) . . . . ?
C42 C43 C44 C47 173(2) . . . . ?
C43 C44 C45 C46 11(3) . . . . ?
C47 C44 C45 C46 -170(2) . . . . ?
C44 C45 C46 C41 -2(4) . . . . ?
C42 C41 C46 C45 -9(3) . . . . ?
C30 C41 C46 C45 -178(2) . . . . ?
Ag1 O9 C47 O10 13(3) 3_596 . . . ?
Ag1 O9 C47 C44 -171.6(14) 3_596 . . . ?
Ag1 O10 C47 O9 -3(3) . . . . ?
Ag1 O10 C47 C44 -178.5(14) . . . . ?
C45 C44 C47 O9 -164(2) . . . . ?
C43 C44 C47 O9 16(3) . . . . ?
C45 C44 C47 O10 12(3) . . . . ?
C43 C44 C47 O10 -169(2) . . . . ?
C33 C32 C48 C53 -159.0(19) . . . . ?
C31 C32 C48 C53 24(3) . . . . ?
C33 C32 C48 C49 21(3) . . . . ?
C31 C32 C48 C49 -156.4(18) . . . . ?
C53 C48 C49 C50 -1(3) . . . . ?
C32 C48 C49 C50 179.2(17) . . . . ?
C48 C49 C50 C51 1(3) . . . . ?
C49 C50 C51 C52 -2(3) . . . . ?
C49 C50 C51 C54 -177.7(16) . . . . ?
C50 C51 C52 C53 3(2) . . . . ?
C54 C51 C52 C53 178.8(16) . . . . ?
C51 C52 C53 C48 -3(3) . . . . ?
C49 C48 C53 C52 2(3) . . . . ?
C32 C48 C53 C52 -178.0(17) . . . . ?
Ag6 O12 C54 O11 -5(2) 3_546 . . . ?
Ag6 O12 C54 C51 171.8(10) 3_546 . . . ?
Ag5 O11 C54 O12 -14(2) 3_546 . . . ?
Ag5 O11 C54 C51 169.0(10) 3_546 . . . ?
C52 C51 C54 O12 11(2) . . . . ?
C50 C51 C54 O12 -173.6(15) . . . . ?
C52 C51 C54 O11 -172.1(15) . . . . ?
C50 C51 C54 O11 3(2) . . . . ?
C5D N1D C1D C2D -9(5) . . . . ?
Ag2 N1D C1D C2D 158(2) . . . . ?
N1D C1D C2D C3D 12(6) . . . . ?
C1D C2D C3D C4D -11(5) . . . . ?
C1D C2D C3D C11D -180(3) . . . . ?
C5D C4D C3D C2D 10(4) . . . . ?
C5D C4D C3D C11D 178(3) . . . . ?
C3D C4D C5D N1D -10(5) . . . . ?
C1D N1D C5D C4D 10(5) . . . . ?
Ag2 N1D C5D C4D -155(3) . . . . ?
C2D C3D C11D N3D -6(4) . . . . ?
C4D C3D C11D N3D -173(2) . . . . ?
C2D C3D C11D N6D 178(3) . . . . ?
C4D C3D C11D N6D 11(4) . . . . ?
N6D C11D N3D N4D 0.0 . . . . ?
C3D C11D N3D N4D -176(2) . . . . ?
C11D N3D N4D C12D 0.0 . . . . ?
N3D N4D C12D C8D 178(2) . . . . ?
N3D N4D C12D N5D 0.0 . . . . ?
C8D C12D N5D N6D -178(2) . . . . ?
N4D C12D N5D N6D 0.0 . . . . ?
C12D N5D N6D C11D 0.0 . . . . ?
N3D C11D N6D N5D 0.0 . . . . ?
C3D C11D N6D N5D 176(2) . . . . ?
C10D N2D C6D C7D 0.0 . . . . ?
Ag1 N2D C6D C7D 179.6(15) . . . . ?
N2D C6D C7D C8D 0.0 . . . . ?
N4D C12D C8D C9D -4(3) . . . . ?
N5D C12D C8D C9D 173.8(14) . . . . ?
N4D C12D C8D C7D 175.6(13) . . . . ?
N5D C12D C8D C7D -6(3) . . . . ?
C6D C7D C8D C12D -180(2) . . . . ?
C6D C7D C8D C9D 0.0 . . . . ?
C12D C8D C9D C10D 180(2) . . . . ?
C7D C8D C9D C10D 0.0 . . . . ?
C8D C9D C10D N2D 0.0 . . . . ?
C6D N2D C10D C9D 0.0 . . . . ?
Ag1 N2D C10D C9D -179.6(14) . . . . ?

_refine_diff_density_max         7.595
_refine_diff_density_min         -1.552
_refine_diff_density_rms         0.368



