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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_yd1865_0m_a_sq
_database_code_depnum_ccdc_archive 'CCDC 2294662'
loop_
_audit_author_name
_audit_author_address
'Long Tang'
;Yan an University
China
;
_audit_update_record             
;
2023-09-13 deposited with the CCDC.	2024-01-18 downloaded from the CCDC.
;
_audit_creation_method           
;
FinalCif V88 by Daniel Kratzert, Freiburg 2022,
https://github.com/dkratzert/FinalCif
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C162 H126 Ag9 N51 O27'
_chemical_formula_moiety         ?
_chemical_formula_weight         4189.96
_chemical_melting_point          ?
_space_group_crystal_system      orthorhombic
_space_group_IT_number           48
_space_group_name_H-M_alt        'P n n n'
_space_group_name_Hall           '-P 2ab 2bc'
_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+1/2, z'
'-x+1/2, y, -z+1/2'
'x, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x-1/2, -y, z-1/2'
'-x, y-1/2, z-1/2'

_cell_length_a                   15.2521(9)
_cell_length_b                   27.1930(18)
_cell_length_c                   34.360(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     14250.8(15)
_cell_formula_units_Z            3
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9902
_cell_measurement_theta_min      2.178
_cell_measurement_theta_max      23.1485
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_F_000             6282
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    0.982
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2307
_exptl_absorpt_correction_T_max  0.2585
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction:
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   0.908
_shelx_estimated_absorpt_T_max   0.926
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      296(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           30.0
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            70610
_diffrn_reflns_av_unetI/netI     0.0250
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_theta_min         2.092
_diffrn_reflns_theta_max         25.014
_diffrn_reflns_theta_full        25.014
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       38
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             12551
_reflns_number_gt                7937
_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       
'Bruker BIS 2011.4.0.0/01-Apr-2011 && APEX2_2011.4-1'
_computing_cell_refinement       'SAINT V8.40C'
_computing_data_reduction        'SAINT V8.40C'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0722P)²+63.1863P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         12551
_refine_ls_number_parameters     1146
_refine_ls_number_restraints     2010
_refine_ls_R_factor_all          0.1032
_refine_ls_R_factor_gt           0.0671
_refine_ls_wR_factor_ref         0.2038
_refine_ls_wR_factor_gt          0.1762
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.353
_refine_diff_density_min         -1.393
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

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'

_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_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 1.49666(5) 0.80623(2) 0.93856(2) 0.0802(2) Uani 1 1 d . . . . .
Ag02 Ag 0.50185(4) 0.54842(3) 0.75053(2) 0.0906(3) Uani 1 1 d . . . . .
Ag03 Ag -0.48260(5) 0.29800(3) 0.56675(2) 0.0978(3) Uani 1 1 d . . . . .
Ag04 Ag 0.000000 0.500000 0.500000 0.0830(5) Uani 0.5 2 d S . P . .
Ag05 Ag 0.3786(7) 0.6668(4) 0.0847(3) 0.148(3) Uani 0.125 1 d . . P . .
C1_1 C 1.3660(4) 0.7302(2) 0.90926(18) 0.0553(15) Uani 1 1 d D U . . .
H1_1 H 1.334489 0.733512 0.932275 0.066 Uiso 1 1 calc R U . . .
C2_1 C 1.4635(5) 0.7389(3) 0.8658(2) 0.073(2) Uani 1 1 d D U . . .
H2_1 H 1.513643 0.749181 0.852736 0.088 Uiso 1 1 calc R U . . .
C3_1 C 1.4025(4) 0.7079(3) 0.85124(19) 0.0667(18) Uani 1 1 d D U . . .
H3_1 H 1.402701 0.693474 0.826704 0.080 Uiso 1 1 calc R U . . .
C4_1 C 1.2652(3) 0.6711(2) 0.87855(16) 0.0485(14) Uani 1 1 d D U . . .
C5_1 C 1.2453(4) 0.6437(2) 0.91127(17) 0.0560(16) Uani 1 1 d D U . . .
H5_1 H 1.280291 0.646171 0.933355 0.067 Uiso 1 1 calc R U . . .
C6_1 C 1.1737(4) 0.6129(2) 0.91123(17) 0.0574(16) Uani 1 1 d D U . . .
H6_1 H 1.158944 0.595743 0.933715 0.069 Uiso 1 1 calc R U . . .
C7_1 C 1.1233(3) 0.6072(2) 0.87788(16) 0.0508(14) Uani 1 1 d D U . . .
C8_1 C 1.1436(4) 0.6354(2) 0.84539(16) 0.0508(15) Uani 1 1 d D U . . .
H8_1 H 1.109442 0.632560 0.823071 0.061 Uiso 1 1 calc R U . . .
C9_1 C 1.2137(4) 0.6674(2) 0.84581(16) 0.0521(15) Uani 1 1 d D U . . .
H9_1 H 1.226089 0.686509 0.824039 0.062 Uiso 1 1 calc R U . . .
C10_1 C 1.0589(3) 0.5307(2) 0.90196(16) 0.0507(14) Uani 1 1 d D U . . .
C11_1 C 0.9897(4) 0.5189(2) 0.92653(16) 0.0513(14) Uani 1 1 d D U . . .
H11_1 H 0.937709 0.536660 0.925024 0.062 Uiso 1 1 calc R U . . .
C12_1 C 0.9972(3) 0.4807(2) 0.95339(18) 0.0547(15) Uani 1 1 d D U . . .
H12_1 H 0.950247 0.472850 0.969511 0.066 Uiso 1 1 calc R U . . .
C13_1 C 1.0747(4) 0.4546(2) 0.95596(17) 0.0529(15) Uani 1 1 d D U . . .
C14_1 C 1.1427(4) 0.4647(2) 0.93028(18) 0.0588(16) Uani 1 1 d D U . . .
H14_1 H 1.193771 0.446062 0.931166 0.071 Uiso 1 1 calc R U . . .
C15_1 C 1.1348(4) 0.5021(2) 0.90353(19) 0.0610(17) Uani 1 1 d D U . . .
H15_1 H 1.180588 0.508436 0.886343 0.073 Uiso 1 1 calc R U . . .
C16_1 C 1.0262(4) 0.3884(2) 1.00059(18) 0.0611(17) Uani 1 1 d D U . . .
H16_1 H 0.968693 0.386424 0.991770 0.073 Uiso 1 1 calc R U . . .
C17_1 C 1.1445(4) 0.3766(3) 1.0327(2) 0.074(2) Uani 1 1 d D U . . .
H17_1 H 1.184222 0.364029 1.050701 0.089 Uiso 1 1 calc R U . . .
C18_1 C 1.1625(4) 0.4118(3) 1.0068(2) 0.070(2) Uani 1 1 d D U . . .
H18_1 H 1.215568 0.428127 1.003494 0.083 Uiso 1 1 calc R U . . .
C19_1 C 0.9739(3) 0.58184(19) 0.85693(17) 0.0491(14) Uani 1 1 d D U . . .
C20_1 C 0.9277(4) 0.5433(2) 0.84060(18) 0.0585(16) Uani 1 1 d D U . . .
H20_1 H 0.950401 0.511585 0.841642 0.070 Uiso 1 1 calc R U . . .
C21_1 C 0.8479(4) 0.5517(2) 0.82272(19) 0.0593(17) Uani 1 1 d D U . . .
H21_1 H 0.817609 0.525623 0.811527 0.071 Uiso 1 1 calc R U . . .
C22_1 C 0.8128(3) 0.5985(2) 0.82133(16) 0.0512(14) Uani 1 1 d D U . . .
C23_1 C 0.8589(4) 0.6371(2) 0.8372(2) 0.0617(17) Uani 1 1 d D U . . .
H23_1 H 0.836272 0.668782 0.836059 0.074 Uiso 1 1 calc R U . . .
C24_1 C 0.9390(4) 0.6286(2) 0.8548(2) 0.0628(18) Uani 1 1 d D U . . .
H24_1 H 0.969952 0.654890 0.865398 0.075 Uiso 1 1 calc R U . . .
C25_1 C 0.6770(4) 0.5723(3) 0.7880(2) 0.0652(18) Uani 1 1 d D U . . .
H25_1 H 0.691694 0.539163 0.786303 0.078 Uiso 1 1 calc R U . . .
C26_1 C 0.6078(5) 0.6397(3) 0.7835(3) 0.096(3) Uani 1 1 d D U . . .
H26_1 H 0.563991 0.662476 0.778044 0.115 Uiso 1 1 calc R U . . .
C27_1 C 0.6846(5) 0.6506(3) 0.8007(3) 0.090(2) Uani 1 1 d D U . . .
H27_1 H 0.703640 0.681383 0.808908 0.108 Uiso 1 1 calc R U . . .
N1_1 N 1.4409(3) 0.7525(2) 0.90207(16) 0.0619(14) Uani 1 1 d D U . . .
N2_1 N 1.3409(3) 0.70195(17) 0.87922(14) 0.0506(12) Uani 1 1 d D U . . .
N3_1 N 1.0543(3) 0.57180(18) 0.87656(14) 0.0544(13) Uani 1 1 d D U . . .
N4_1 N 1.0873(3) 0.41887(19) 0.98605(15) 0.0566(13) Uani 1 1 d D U . . .
N5_1 N 1.0588(4) 0.3616(2) 1.02894(16) 0.0651(15) Uani 1 1 d D U . . .
N6_1 N 0.7291(3) 0.6068(2) 0.80369(15) 0.0568(13) Uani 1 1 d D U . . .
N7_1 N 0.6031(3) 0.5909(2) 0.77532(17) 0.0729(17) Uani 1 1 d D U . . .
C1_2 C 0.3275(4) 0.5271(3) 0.7119(2) 0.0675(18) Uani 1 1 d D U . . .
H1_2 H 0.314861 0.560502 0.713517 0.081 Uiso 1 1 calc R U . . .
C2_2 C 0.3929(6) 0.4593(3) 0.7172(4) 0.134(4) Uani 1 1 d D U . . .
H2_2 H 0.434248 0.435552 0.723720 0.160 Uiso 1 1 calc R U . . .
C3_2 C 0.3171(6) 0.4507(3) 0.6978(4) 0.132(4) Uani 1 1 d D U . . .
H3_2 H 0.298112 0.420700 0.688003 0.158 Uiso 1 1 calc R U . . .
C4_2 C 0.1924(4) 0.5042(2) 0.67710(18) 0.0569(16) Uani 1 1 d D U . . .
C5_2 C 0.1473(4) 0.4672(2) 0.6581(2) 0.071(2) Uani 1 1 d D U . . .
H5_2 H 0.169611 0.435366 0.657485 0.085 Uiso 1 1 calc R U . . .
C6_2 C 0.0692(4) 0.4779(2) 0.6402(2) 0.0703(19) Uani 1 1 d D U . . .
H6_2 H 0.039021 0.452852 0.627485 0.084 Uiso 1 1 calc R U . . .
C7_2 C 0.0342(4) 0.5247(2) 0.64043(18) 0.0549(15) Uani 1 1 d D U . . .
C8_2 C 0.0804(4) 0.5614(2) 0.65939(19) 0.0591(16) Uani 1 1 d D U . . .
H8_2 H 0.058106 0.593214 0.660027 0.071 Uiso 1 1 calc R U . . .
C9_2 C 0.1591(4) 0.5513(2) 0.6773(2) 0.0638(18) Uani 1 1 d D U . . .
H9_2 H 0.189911 0.576373 0.689540 0.077 Uiso 1 1 calc R U . . .
C10_2 C -0.1184(4) 0.5039(2) 0.62232(17) 0.0544(15) Uani 1 1 d D U . . .
C11_2 C -0.1306(4) 0.4718(2) 0.65337(18) 0.0605(17) Uani 1 1 d D U . . .
H11_2 H -0.091010 0.471908 0.673971 0.073 Uiso 1 1 calc R U . . .
C12_2 C -0.2014(4) 0.4396(2) 0.65390(18) 0.0624(17) Uani 1 1 d D U . . .
H12_2 H -0.207835 0.417532 0.674374 0.075 Uiso 1 1 calc R U . . .
C13_2 C -0.2619(4) 0.4403(2) 0.62416(18) 0.0604(17) Uani 1 1 d D U . . .
C14_2 C -0.2515(4) 0.4727(3) 0.59336(18) 0.0665(18) Uani 1 1 d D U . . .
H14_2 H -0.292724 0.473482 0.573427 0.080 Uiso 1 1 calc R U . . .
C15_2 C -0.1803(4) 0.5039(2) 0.59220(18) 0.0602(17) Uani 1 1 d D U . . .
H15_2 H -0.173194 0.525066 0.571197 0.072 Uiso 1 1 calc R U . . .
C16_2 C -0.3627(5) 0.3807(3) 0.5934(2) 0.081(2) Uani 1 1 d D U . . .
H16_2 H -0.339193 0.382904 0.568471 0.097 Uiso 1 1 calc R U . . .
C17_2 C -0.4403(7) 0.3598(4) 0.6420(2) 0.121(3) Uani 1 1 d D U . . .
H17_2 H -0.482359 0.344076 0.657128 0.146 Uiso 1 1 calc R U . . .
C18_2 C -0.3840(6) 0.3935(4) 0.6551(2) 0.106(3) Uani 1 1 d D U . . .
H18_2 H -0.379674 0.405254 0.680446 0.128 Uiso 1 1 calc R U . . .
C19_2 C -0.0484(4) 0.5786(2) 0.59684(17) 0.0551(15) Uani 1 1 d D U . . .
C20_2 C -0.1169(4) 0.6118(2) 0.59977(18) 0.0625(17) Uani 1 1 d D U . . .
H20_2 H -0.159420 0.607307 0.618861 0.075 Uiso 1 1 calc R U . . .
C21_2 C -0.1231(4) 0.6514(2) 0.57478(18) 0.0625(17) Uani 1 1 d D U . . .
H21_2 H -0.169252 0.673519 0.577072 0.075 Uiso 1 1 calc R U . . .
C22_2 C -0.0600(3) 0.6578(2) 0.54629(17) 0.0537(15) Uani 1 1 d D U . . .
C23_2 C 0.0112(4) 0.6265(2) 0.54441(18) 0.0602(17) Uani 1 1 d D U . . .
H23_2 H 0.055393 0.632030 0.526288 0.072 Uiso 1 1 calc R U . . .
C24_2 C 0.0167(3) 0.5866(2) 0.56965(17) 0.0575(16) Uani 1 1 d D U . . .
H24_2 H 0.064365 0.565310 0.568212 0.069 Uiso 1 1 calc R U . . .
C25_2 C -0.0097(4) 0.7173(3) 0.49614(19) 0.0652(18) Uani 1 1 d D U . . .
H25_2 H 0.049959 0.710554 0.498030 0.078 Uiso 1 1 calc R U . . .
C26_2 C -0.1313(4) 0.7477(3) 0.4785(3) 0.089(2) Uani 1 1 d D U . . .
H26_2 H -0.172628 0.766561 0.465282 0.107 Uiso 1 1 calc R U . . .
C27_2 C -0.1497(4) 0.7158(3) 0.5067(3) 0.089(3) Uani 1 1 d D U . . .
H27_2 H -0.204852 0.708392 0.516616 0.107 Uiso 1 1 calc R U . . .
N1_2 N 0.3993(4) 0.5072(2) 0.72564(19) 0.0770(18) Uani 1 1 d D U . . .
N2_2 N 0.2743(3) 0.49412(19) 0.69550(16) 0.0615(14) Uani 1 1 d D U . . .
N3_2 N -0.0465(3) 0.53634(19) 0.62154(15) 0.0602(14) Uani 1 1 d D U . . .
N4_2 N -0.3346(3) 0.4071(2) 0.62426(16) 0.0720(17) Uani 1 1 d D U . . .
N5_2 N -0.4275(4) 0.3516(3) 0.60310(19) 0.092(2) Uani 1 1 d D U . . .
N6_2 N -0.0712(3) 0.69590(19) 0.51808(15) 0.0573(13) Uani 1 1 d D U . . .
N7_2 N -0.0436(4) 0.7489(2) 0.47168(17) 0.0688(15) Uani 1 1 d D U . . .
C1_3 C 0.3240(17) 0.7100(9) 0.1611(5) 0.078(2) Uani 0.25 1 d D U P A -1
H1_3 H 0.363183 0.687853 0.172199 0.093 Uiso 0.25 1 calc R U P A -1
C2_3 C 0.2672(17) 0.7564(9) 0.1193(4) 0.079(3) Uani 0.25 1 d D U P A -1
H2_3 H 0.263326 0.774080 0.096191 0.095 Uiso 0.25 1 calc R U P A -1
C3_3 C 0.2348(19) 0.7706(10) 0.1543(5) 0.079(2) Uani 0.25 1 d D U P A -1
H3_3 H 0.191453 0.793920 0.158907 0.094 Uiso 0.25 1 calc R U P A -1
C4_3 C 0.2730(16) 0.7458(7) 0.2225(3) 0.074(2) Uani 0.25 1 d D U P A -1
C5_3 C 0.264(2) 0.7026(7) 0.2430(4) 0.073(2) Uani 0.25 1 d D U P A -1
H5_3 H 0.256547 0.672996 0.229799 0.088 Uiso 0.25 1 calc R U P A -1
C6_3 C 0.266(2) 0.7031(7) 0.2830(4) 0.070(2) Uani 0.25 1 d D U P A -1
H6_3 H 0.266354 0.673493 0.296472 0.084 Uiso 0.25 1 calc R U P A -1
C7_3 C 0.2679(15) 0.7468(7) 0.3036(3) 0.0681(17) Uani 0.25 1 d D U P A -1
C8_3 C 0.2781(17) 0.7898(6) 0.2825(4) 0.071(2) Uani 0.25 1 d D U P A -1
H8_3 H 0.282446 0.819582 0.295641 0.085 Uiso 0.25 1 calc R U P A -1
C9_3 C 0.2818(18) 0.7894(7) 0.2424(4) 0.072(2) Uani 0.25 1 d D U P A -1
H9_3 H 0.290282 0.818558 0.228801 0.087 Uiso 0.25 1 calc R U P A -1
C10_3 C 0.2036(12) 0.7189(10) 0.3653(5) 0.0629(16) Uani 0.25 1 d D U P A -1
C11_3 C 0.2236(13) 0.6968(12) 0.4009(7) 0.0623(18) Uani 0.25 1 d D U P A -1
H11_3 H 0.279067 0.701203 0.411591 0.075 Uiso 0.25 1 calc R U P A -1
C12_3 C 0.1627(17) 0.6685(17) 0.4208(8) 0.0610(18) Uani 0.25 1 d D U P A -1
H12_3 H 0.175822 0.656525 0.445473 0.073 Uiso 0.25 1 calc R U P A -1
C13_3 C 0.0823(13) 0.6578(11) 0.4040(7) 0.0604(18) Uani 0.25 1 d D U P A -1
C14_3 C 0.0645(12) 0.6761(9) 0.3673(5) 0.0616(19) Uani 0.25 1 d D U P A -1
H14_3 H 0.012304 0.667603 0.355049 0.074 Uiso 0.25 1 calc R U P A -1
C15_3 C 0.1228(11) 0.7068(9) 0.3485(5) 0.0629(18) Uani 0.25 1 d D U P A -1
H15_3 H 0.108214 0.719548 0.324212 0.075 Uiso 0.25 1 calc R U P A -1
C16_3 C 0.044417 0.587920 0.446847 0.058(2) Uani 0.25 1 d D U P A -1
H16_3 H 0.101893 0.578758 0.452241 0.069 Uiso 0.25 1 calc R U P A -1
C17_3 C -0.0940(9) 0.5934(9) 0.4484(8) 0.057(2) Uani 0.25 1 d D U P A -1
H17_3 H -0.152222 0.588044 0.455351 0.068 Uiso 0.25 1 calc R U P A -1
C18_3 C -0.0663(9) 0.6298(9) 0.4253(8) 0.057(2) Uani 0.25 1 d D U P A -1
H18_3 H -0.100810 0.652964 0.412618 0.069 Uiso 0.25 1 calc R U P A -1
C19_3 C 0.3268(9) 0.7768(7) 0.3672(5) 0.0625(16) Uani 0.25 1 d DG U P A -1
C20_3 C 0.2941(10) 0.8016(10) 0.3995(6) 0.0615(18) Uani 0.25 1 d DG U P A -1
H20_3 H 0.236640 0.796319 0.407510 0.074 Uiso 0.25 1 calc R U P A -1
C21_3 C 0.3473(12) 0.8343(11) 0.4197(7) 0.0598(18) Uani 0.25 1 d DG U P A -1
H21_3 H 0.325425 0.850848 0.441324 0.072 Uiso 0.25 1 calc R U P A -1
C22_3 C 0.4332(11) 0.8422(8) 0.4077(6) 0.0592(18) Uani 0.25 1 d DG U P A -1
C23_3 C 0.4659(8) 0.8174(6) 0.3755(5) 0.0601(19) Uani 0.25 1 d DG U P A -1
H23_3 H 0.523323 0.822656 0.367416 0.072 Uiso 0.25 1 calc R U P A -1
C24_3 C 0.4127(9) 0.7847(6) 0.3552(4) 0.0614(19) Uani 0.25 1 d DG U P A -1
H24_3 H 0.434538 0.768128 0.333601 0.074 Uiso 0.25 1 calc R U P A -1
C25_3 C 0.4527(10) 0.9183(6) 0.4454(6) 0.056(2) Uani 0.25 1 d D U P A -1
H25_3 H 0.393586 0.926806 0.445018 0.067 Uiso 0.25 1 calc R U P A -1
C26_3 C 0.5889(10) 0.9202(8) 0.4556(8) 0.056(2) Uani 0.25 1 d D U P A -1
H26_3 H 0.643810 0.929800 0.464574 0.067 Uiso 0.25 1 calc R U P A -1
C27_3 C 0.5734(10) 0.8800(9) 0.4339(9) 0.056(2) Uani 0.25 1 d D U P A -1
H27_3 H 0.614896 0.857954 0.424428 0.067 Uiso 0.25 1 calc R U P A -1
N1_3 N 0.3060(18) 0.7123(9) 0.1237(5) 0.080(2) Uani 0.25 1 d D U P A -1
N2_3 N 0.2785(15) 0.7438(8) 0.1811(3) 0.077(2) Uani 0.25 1 d D U P A -1
N3_3 N 0.2687(10) 0.7461(7) 0.3451(3) 0.0646(16) Uani 0.25 1 d D U P A -1
N4_3 N 0.0225(9) 0.6263(9) 0.4243(9) 0.0581(19) Uani 0.25 1 d D U P A -1
N5_3 N -0.0247(8) 0.5648(8) 0.4604(9) 0.057(2) Uani 0.25 1 d D U P A -1
N6_3 N 0.4844(10) 0.8779(9) 0.4284(9) 0.0567(19) Uani 0.25 1 d D U P A -1
N7_3 N 0.5129(11) 0.9450(8) 0.4625(9) 0.055(2) Uani 0.25 1 d D U P A -1
N1_4 N 0.2422(7) 0.5541(6) 0.5028(3) 0.196(5) Uani 1 1 d D U . . .
O1_4 O 0.2030(7) 0.5946(5) 0.5020(4) 0.254(6) Uani 1 1 d D U . . .
O2_4 O 0.1914(9) 0.5167(6) 0.5056(4) 0.265(6) Uani 1 1 d D U . . .
O3_4 O 0.3174(5) 0.5541(5) 0.4970(2) 0.198(5) Uani 1 1 d D U . . .
N1_5 N 0.3308(8) 0.6574(5) 0.7532(3) 0.081(3) Uani 0.5 1 d D U P B -1
O1_5 O 0.2699(8) 0.6286(4) 0.7496(7) 0.087(4) Uani 0.5 1 d D U P B -1
O2_5 O 0.4041(7) 0.6459(5) 0.7573(3) 0.094(3) Uani 0.5 1 d D U P B -1
O3_5 O 0.3166(10) 0.7025(4) 0.7531(4) 0.116(4) Uani 0.5 1 d D U P B -1
N1_6 N 0.1702(12) 0.5578(6) 0.2487(4) 0.142(6) Uani 0.5 1 d D U P C -1
O1_6 O 0.2291(13) 0.5285(5) 0.2460(7) 0.159(7) Uani 0.5 1 d D U P C -1
O2_6 O 0.0953(11) 0.5464(5) 0.2460(4) 0.147(6) Uani 0.5 1 d D U P C -1
O3_6 O 0.1969(11) 0.6003(5) 0.2519(5) 0.159(7) Uani 0.5 1 d D U P C -1
N1_7 N 0.2126(9) 0.7884(6) 0.4966(4) 0.114(5) Uani 0.5 1 d D U P D -1
O1_7 O 0.1531(6) 0.8176(5) 0.4948(3) 0.083(3) Uani 0.5 1 d D U P D -1
O2_7 O 0.2910(9) 0.7985(7) 0.4974(5) 0.151(6) Uani 0.5 1 d D U P D -1
O3_7 O 0.2017(10) 0.7433(7) 0.5020(6) 0.157(7) Uani 0.5 1 d D U P D -1
N1_8 N -0.250000 0.750000 0.6129(4) 0.096(3) Uani 1 2 d S TU P . .
O1_8 O -0.250000 0.750000 0.6484(4) 0.179(6) Uani 1 2 d S TU P . .
O2_8 O -0.3026(5) 0.7241(3) 0.5941(2) 0.114(2) Uani 1 1 d . U . . .
N1_9 N -0.2979(16) 0.6724(9) 0.3823(8) 0.208(11) Uani 0.375 1 d D U P E 1
O1_9 O -0.3460(18) 0.7060(9) 0.3730(9) 0.207(10) Uani 0.375 1 d D U P E 1
O2_9 O -0.2479(18) 0.6516(10) 0.3606(8) 0.207(10) Uani 0.375 1 d D U P E 1
O3_9 O -0.302(2) 0.6598(8) 0.4159(8) 0.208(11) Uani 0.375 1 d D U P E 1


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 N5_1 2.101(5) 6_667 ?
Ag01 N1_1 2.104(5) . ?
Ag02 N1_2 2.105(6) . ?
Ag02 N7_1 2.108(5) . ?
Ag03 N5_2 2.095(6) . ?
Ag03 N7_2 2.095(5) 6_556 ?
Ag04 N5_3 2.258(14) . ?
Ag05 N1_3 2.136(18) . ?
C1_1 N1_1 1.318(7) . ?
C1_1 N2_1 1.342(6) . ?
C2_1 N1_1 1.345(8) . ?
C2_1 C3_1 1.352(8) . ?
C3_1 N2_1 1.354(7) . ?
C4_1 C9_1 1.376(7) . ?
C4_1 C5_1 1.381(7) . ?
C4_1 N2_1 1.427(6) . ?
C5_1 C6_1 1.377(7) . ?
C6_1 C7_1 1.388(7) . ?
C7_1 C8_1 1.388(7) . ?
C7_1 N3_1 1.427(6) . ?
C8_1 C9_1 1.380(7) . ?
C10_1 C11_1 1.390(7) . ?
C10_1 C15_1 1.396(7) . ?
C10_1 N3_1 1.419(6) . ?
C11_1 C12_1 1.394(7) . ?
C12_1 C13_1 1.382(7) . ?
C13_1 C14_1 1.389(7) . ?
C13_1 N4_1 1.431(6) . ?
C14_1 C15_1 1.377(7) . ?
C16_1 N5_1 1.313(7) . ?
C16_1 N4_1 1.344(7) . ?
C17_1 C18_1 1.336(8) . ?
C17_1 N5_1 1.375(8) . ?
C18_1 N4_1 1.364(7) . ?
C19_1 C24_1 1.381(6) . ?
C19_1 C20_1 1.382(6) . ?
C19_1 N3_1 1.426(6) . ?
C20_1 C21_1 1.382(6) . ?
C21_1 C22_1 1.381(6) . ?
C22_1 C23_1 1.375(6) . ?
C22_1 N6_1 1.431(6) . ?
C23_1 C24_1 1.383(6) . ?
C25_1 N7_1 1.311(7) . ?
C25_1 N6_1 1.343(7) . ?
C26_1 C27_1 1.344(8) . ?
C26_1 N7_1 1.360(8) . ?
C27_1 N6_1 1.374(7) . ?
C1_2 N1_2 1.310(7) . ?
C1_2 N2_2 1.334(7) . ?
C2_2 N1_2 1.337(9) . ?
C2_2 C3_2 1.356(9) . ?
C3_2 N2_2 1.350(8) . ?
C4_2 C9_2 1.379(7) . ?
C4_2 C5_2 1.382(7) . ?
C4_2 N2_2 1.426(6) . ?
C5_2 C6_2 1.372(7) . ?
C6_2 C7_2 1.381(7) . ?
C7_2 C8_2 1.385(7) . ?
C7_2 N3_2 1.426(6) . ?
C8_2 C9_2 1.375(7) . ?
C10_2 C11_2 1.391(7) . ?
C10_2 C15_2 1.400(7) . ?
C10_2 N3_2 1.409(6) . ?
C11_2 C12_2 1.391(7) . ?
C12_2 C13_2 1.378(7) . ?
C13_2 C14_2 1.387(8) . ?
C13_2 N4_2 1.429(7) . ?
C14_2 C15_2 1.378(7) . ?
C16_2 N5_2 1.309(7) . ?
C16_2 N4_2 1.351(7) . ?
C17_2 C18_2 1.334(9) . ?
C17_2 N5_2 1.368(8) . ?
C18_2 N4_2 1.353(8) . ?
C19_2 C24_2 1.381(6) . ?
C19_2 C20_2 1.384(6) . ?
C19_2 N3_2 1.429(6) . ?
C20_2 C21_2 1.380(6) . ?
C21_2 C22_2 1.384(6) . ?
C22_2 C23_2 1.382(6) . ?
C22_2 N6_2 1.430(6) . ?
C23_2 C24_2 1.391(6) . ?
C25_2 N7_2 1.309(7) . ?
C25_2 N6_2 1.337(7) . ?
C26_2 C27_2 1.331(8) . ?
C26_2 N7_2 1.358(8) . ?
C27_2 N6_2 1.371(7) . ?
C1_3 N1_3 1.315(10) . ?
C1_3 N2_3 1.342(10) . ?
C2_3 N1_3 1.344(11) . ?
C2_3 C3_3 1.358(11) . ?
C3_3 N2_3 1.350(10) . ?
C4_3 C9_3 1.373(10) . ?
C4_3 C5_3 1.379(10) . ?
C4_3 N2_3 1.423(9) . ?
C5_3 C6_3 1.374(10) . ?
C6_3 C7_3 1.383(10) . ?
C7_3 C8_3 1.385(10) . ?
C7_3 N3_3 1.427(9) . ?
C8_3 C9_3 1.380(10) . ?
C10_3 C11_3 1.397(10) . ?
C10_3 C15_3 1.402(10) . ?
C10_3 N3_3 1.420(9) . ?
C11_3 C12_3 1.387(10) . ?
C12_3 C13_3 1.384(10) . ?
C13_3 C14_3 1.384(10) . ?
C13_3 N4_3 1.433(9) . ?
C14_3 C15_3 1.379(10) . ?
C16_3 N5_3 1.313(10) . ?
C16_3 N4_3 1.343(9) . ?
C17_3 C18_3 1.339(11) . ?
C17_3 N5_3 1.375(11) . ?
C18_3 N4_3 1.358(10) . ?
C19_3 C20_3 1.3900 . ?
C19_3 C24_3 1.3900 . ?
C19_3 N3_3 1.433(8) . ?
C20_3 C21_3 1.3900 . ?
C21_3 C22_3 1.3900 . ?
C22_3 C23_3 1.3900 . ?
C22_3 N6_3 1.435(8) . ?
C23_3 C24_3 1.3900 . ?
C25_3 N7_3 1.309(10) . ?
C25_3 N6_3 1.336(10) . ?
C26_3 C27_3 1.345(11) . ?
C26_3 N7_3 1.361(10) . ?
C27_3 N6_3 1.372(10) . ?
N1_4 O3_4 1.165(10) . ?
N1_4 O1_4 1.253(12) . ?
N1_4 O2_4 1.282(12) . ?
N1_5 O2_5 1.169(11) . ?
N1_5 O1_5 1.222(11) . ?
N1_5 O3_5 1.245(11) . ?
N1_6 O2_6 1.187(13) . ?
N1_6 O1_6 1.204(14) . ?
N1_6 O3_6 1.230(12) . ?
N1_7 O1_7 1.207(12) . ?
N1_7 O2_7 1.228(13) . ?
N1_7 O3_7 1.253(13) . ?
N1_8 O1_8 1.217(14) . ?
N1_8 O2_8 1.248(8) 2_465 ?
N1_8 O2_8 1.248(8) . ?
N1_9 O3_9 1.207(14) . ?
N1_9 O2_9 1.207(14) . ?
N1_9 O1_9 1.214(14) . ?

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
N5_1 Ag01 N1_1 175.2(2) 6_667 . ?
N1_2 Ag02 N7_1 178.9(2) . . ?
N5_2 Ag03 N7_2 175.4(3) . 6_556 ?
N1_1 C1_1 N2_1 111.6(5) . . ?
N1_1 C2_1 C3_1 109.8(6) . . ?
C2_1 C3_1 N2_1 106.8(5) . . ?
C9_1 C4_1 C5_1 120.1(5) . . ?
C9_1 C4_1 N2_1 121.2(5) . . ?
C5_1 C4_1 N2_1 118.8(5) . . ?
C6_1 C5_1 C4_1 120.1(5) . . ?
C5_1 C6_1 C7_1 120.5(5) . . ?
C8_1 C7_1 C6_1 118.7(5) . . ?
C8_1 C7_1 N3_1 120.7(5) . . ?
C6_1 C7_1 N3_1 120.6(5) . . ?
C9_1 C8_1 C7_1 120.8(5) . . ?
C4_1 C9_1 C8_1 119.8(5) . . ?
C11_1 C10_1 C15_1 118.5(5) . . ?
C11_1 C10_1 N3_1 121.2(5) . . ?
C15_1 C10_1 N3_1 120.2(5) . . ?
C10_1 C11_1 C12_1 120.8(5) . . ?
C13_1 C12_1 C11_1 119.7(5) . . ?
C12_1 C13_1 C14_1 119.8(5) . . ?
C12_1 C13_1 N4_1 120.7(5) . . ?
C14_1 C13_1 N4_1 119.5(5) . . ?
C15_1 C14_1 C13_1 120.4(5) . . ?
C14_1 C15_1 C10_1 120.6(5) . . ?
N5_1 C16_1 N4_1 110.8(5) . . ?
C18_1 C17_1 N5_1 110.1(6) . . ?
C17_1 C18_1 N4_1 106.1(6) . . ?
C24_1 C19_1 C20_1 118.7(5) . . ?
C24_1 C19_1 N3_1 122.2(5) . . ?
C20_1 C19_1 N3_1 119.0(5) . . ?
C19_1 C20_1 C21_1 120.3(5) . . ?
C22_1 C21_1 C20_1 120.6(5) . . ?
C23_1 C22_1 C21_1 119.4(5) . . ?
C23_1 C22_1 N6_1 120.2(5) . . ?
C21_1 C22_1 N6_1 120.4(5) . . ?
C22_1 C23_1 C24_1 119.9(5) . . ?
C19_1 C24_1 C23_1 121.1(5) . . ?
N7_1 C25_1 N6_1 111.9(6) . . ?
C27_1 C26_1 N7_1 110.6(6) . . ?
C26_1 C27_1 N6_1 105.8(6) . . ?
C1_1 N1_1 C2_1 105.6(5) . . ?
C1_1 N1_1 Ag01 124.0(4) . . ?
C2_1 N1_1 Ag01 129.8(4) . . ?
C1_1 N2_1 C3_1 106.2(5) . . ?
C1_1 N2_1 C4_1 125.4(5) . . ?
C3_1 N2_1 C4_1 128.3(5) . . ?
C10_1 N3_1 C19_1 119.0(4) . . ?
C10_1 N3_1 C7_1 118.4(4) . . ?
C19_1 N3_1 C7_1 121.3(4) . . ?
C16_1 N4_1 C18_1 107.6(5) . . ?
C16_1 N4_1 C13_1 126.4(5) . . ?
C18_1 N4_1 C13_1 125.9(5) . . ?
C16_1 N5_1 C17_1 105.4(5) . . ?
C16_1 N5_1 Ag01 128.3(4) . 6_557 ?
C17_1 N5_1 Ag01 126.2(4) . 6_557 ?
C25_1 N6_1 C27_1 106.5(5) . . ?
C25_1 N6_1 C22_1 125.9(5) . . ?
C27_1 N6_1 C22_1 127.6(5) . . ?
C25_1 N7_1 C26_1 105.2(5) . . ?
C25_1 N7_1 Ag02 123.6(5) . . ?
C26_1 N7_1 Ag02 131.2(5) . . ?
N1_2 C1_2 N2_2 112.5(6) . . ?
N1_2 C2_2 C3_2 109.7(7) . . ?
N2_2 C3_2 C2_2 106.9(7) . . ?
C9_2 C4_2 C5_2 119.6(5) . . ?
C9_2 C4_2 N2_2 119.9(5) . . ?
C5_2 C4_2 N2_2 120.4(5) . . ?
C6_2 C5_2 C4_2 119.4(6) . . ?
C5_2 C6_2 C7_2 121.9(6) . . ?
C6_2 C7_2 C8_2 118.0(5) . . ?
C6_2 C7_2 N3_2 122.4(5) . . ?
C8_2 C7_2 N3_2 119.5(5) . . ?
C9_2 C8_2 C7_2 120.7(6) . . ?
C8_2 C9_2 C4_2 120.4(5) . . ?
C11_2 C10_2 C15_2 118.5(5) . . ?
C11_2 C10_2 N3_2 120.8(5) . . ?
C15_2 C10_2 N3_2 120.7(5) . . ?
C10_2 C11_2 C12_2 120.6(5) . . ?
C13_2 C12_2 C11_2 120.2(6) . . ?
C12_2 C13_2 C14_2 119.8(5) . . ?
C12_2 C13_2 N4_2 120.6(6) . . ?
C14_2 C13_2 N4_2 119.5(5) . . ?
C15_2 C14_2 C13_2 120.2(5) . . ?
C14_2 C15_2 C10_2 120.7(6) . . ?
N5_2 C16_2 N4_2 111.1(6) . . ?
C18_2 C17_2 N5_2 110.5(7) . . ?
C17_2 C18_2 N4_2 106.4(6) . . ?
C24_2 C19_2 C20_2 119.3(5) . . ?
C24_2 C19_2 N3_2 120.9(5) . . ?
C20_2 C19_2 N3_2 119.8(5) . . ?
C21_2 C20_2 C19_2 121.0(5) . . ?
C20_2 C21_2 C22_2 119.4(5) . . ?
C23_2 C22_2 C21_2 120.2(5) . . ?
C23_2 C22_2 N6_2 120.6(5) . . ?
C21_2 C22_2 N6_2 119.2(5) . . ?
C22_2 C23_2 C24_2 119.9(5) . . ?
C19_2 C24_2 C23_2 120.1(5) . . ?
N7_2 C25_2 N6_2 111.7(6) . . ?
C27_2 C26_2 N7_2 110.4(6) . . ?
C26_2 C27_2 N6_2 106.3(6) . . ?
C1_2 N1_2 C2_2 105.3(6) . . ?
C1_2 N1_2 Ag02 123.2(5) . . ?
C2_2 N1_2 Ag02 131.3(5) . . ?
C1_2 N2_2 C3_2 105.6(5) . . ?
C1_2 N2_2 C4_2 126.2(5) . . ?
C3_2 N2_2 C4_2 128.0(5) . . ?
C10_2 N3_2 C7_2 121.6(5) . . ?
C10_2 N3_2 C19_2 119.9(4) . . ?
C7_2 N3_2 C19_2 117.8(5) . . ?
C16_2 N4_2 C18_2 107.0(5) . . ?
C16_2 N4_2 C13_2 125.5(5) . . ?
C18_2 N4_2 C13_2 127.4(5) . . ?
C16_2 N5_2 C17_2 105.0(6) . . ?
C16_2 N5_2 Ag03 124.8(5) . . ?
C17_2 N5_2 Ag03 129.7(5) . . ?
C25_2 N6_2 C27_2 106.3(5) . . ?
C25_2 N6_2 C22_2 127.9(5) . . ?
C27_2 N6_2 C22_2 125.7(5) . . ?
C25_2 N7_2 C26_2 105.3(5) . . ?
C25_2 N7_2 Ag03 130.3(4) . 6_666 ?
C26_2 N7_2 Ag03 124.1(5) . 6_666 ?
N1_3 C1_3 N2_3 111.1(10) . . ?
N1_3 C2_3 C3_3 108.2(11) . . ?
N2_3 C3_3 C2_3 105.8(10) . . ?
C9_3 C4_3 C5_3 119.4(9) . . ?
C9_3 C4_3 N2_3 121.6(11) . . ?
C5_3 C4_3 N2_3 118.9(11) . . ?
C6_3 C5_3 C4_3 119.9(11) . . ?
C5_3 C6_3 C7_3 121.5(11) . . ?
C6_3 C7_3 C8_3 117.3(9) . . ?
C6_3 C7_3 N3_3 120.1(11) . . ?
C8_3 C7_3 N3_3 122.2(11) . . ?
C9_3 C8_3 C7_3 121.4(11) . . ?
C4_3 C9_3 C8_3 120.1(11) . . ?
C11_3 C10_3 C15_3 116.9(9) . . ?
C11_3 C10_3 N3_3 120.0(11) . . ?
C15_3 C10_3 N3_3 122.4(10) . . ?
C12_3 C11_3 C10_3 121.6(11) . . ?
C13_3 C12_3 C11_3 120.3(11) . . ?
C12_3 C13_3 C14_3 118.6(9) . . ?
C12_3 C13_3 N4_3 119.1(11) . . ?
C14_3 C13_3 N4_3 122.2(11) . . ?
C15_3 C14_3 C13_3 121.2(11) . . ?
C14_3 C15_3 C10_3 121.0(11) . . ?
N5_3 C16_3 N4_3 112.2(8) . . ?
C18_3 C17_3 N5_3 110.6(10) . . ?
C17_3 C18_3 N4_3 106.2(9) . . ?
C20_3 C19_3 C24_3 120.0 . . ?
C20_3 C19_3 N3_3 118.8(8) . . ?
C24_3 C19_3 N3_3 121.0(8) . . ?
C19_3 C20_3 C21_3 120.0 . . ?
C20_3 C21_3 C22_3 120.0 . . ?
C23_3 C22_3 C21_3 120.0 . . ?
C23_3 C22_3 N6_3 121.9(8) . . ?
C21_3 C22_3 N6_3 118.0(8) . . ?
C24_3 C23_3 C22_3 120.0 . . ?
C23_3 C24_3 C19_3 120.0 . . ?
N7_3 C25_3 N6_3 113.4(9) . . ?
C27_3 C26_3 N7_3 110.5(10) . . ?
C26_3 C27_3 N6_3 106.5(9) . . ?
C1_3 N1_3 C2_3 104.2(10) . . ?
C1_3 N1_3 Ag05 118.5(13) . . ?
C2_3 N1_3 Ag05 132.4(15) . . ?
C1_3 N2_3 C3_3 105.9(9) . . ?
C1_3 N2_3 C4_3 124.7(11) . . ?
C3_3 N2_3 C4_3 129.1(12) . . ?
C10_3 N3_3 C7_3 119.3(10) . . ?
C10_3 N3_3 C19_3 118.5(9) . . ?
C7_3 N3_3 C19_3 121.8(10) . . ?
C16_3 N4_3 C18_3 106.7(8) . . ?
C16_3 N4_3 C13_3 126.0(11) . . ?
C18_3 N4_3 C13_3 127.3(11) . . ?
C16_3 N5_3 C17_3 104.0(9) . . ?
C16_3 N5_3 Ag04 117.0(9) . . ?
C17_3 N5_3 Ag04 138.6(9) . . ?
C25_3 N6_3 C27_3 105.3(8) . . ?
C25_3 N6_3 C22_3 125.2(11) . . ?
C27_3 N6_3 C22_3 129.4(11) . . ?
C25_3 N7_3 C26_3 104.3(9) . . ?
O3_4 N1_4 O1_4 117.8(15) . . ?
O3_4 N1_4 O2_4 127.4(15) . . ?
O1_4 N1_4 O2_4 114.3(11) . . ?
O2_5 N1_5 O1_5 124.6(13) . . ?
O2_5 N1_5 O3_5 115.5(13) . . ?
O1_5 N1_5 O3_5 119.8(13) . . ?
O2_6 N1_6 O1_6 122.7(17) . . ?
O2_6 N1_6 O3_6 124.7(17) . . ?
O1_6 N1_6 O3_6 112.4(16) . . ?
O1_7 N1_7 O2_7 125.9(18) . . ?
O1_7 N1_7 O3_7 123.5(15) . . ?
O2_7 N1_7 O3_7 110.2(15) . . ?
O1_8 N1_8 O2_8 121.2(6) . 2_465 ?
O1_8 N1_8 O2_8 121.2(6) . . ?
O2_8 N1_8 O2_8 117.5(12) 2_465 . ?
O3_9 N1_9 O2_9 119(2) . . ?
O3_9 N1_9 O1_9 116(2) . . ?
O2_9 N1_9 O1_9 125(2) . . ?

