# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2022

####################################################################### 
# 
# 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_a_a_sq_sq
_audit_block_doi                 10.5517/ccdc.csd.cc279h46
_database_code_depnum_ccdc_archive 'CCDC 2064697'
loop_
_audit_author_name
_audit_author_address
'Yue Zhao'
;Nanjing Univeristy
China
;
_audit_update_record             
;
2022-05-19 deposited with the CCDC.	2022-06-06 downloaded from the CCDC.
;
_audit_creation_date             2022-05-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C324 H276 N84 O12 Zn12, 11(F6 Si1), 0.667(H3 O3), 3[CH3CN], 20[H2O], 3[CH3CN], 20[H2O], 1[CH3CN], 24[H2O]'
_chemical_formula_sum            'C338 H427 F66 N91 O78 Si11 Zn12'
_chemical_formula_weight         9360.11
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_space_group_name_Hall           '-R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   36.301(4)
_cell_length_b                   36.301(4)
_cell_length_c                   29.712(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     33909(8)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    9880
_cell_measurement_temperature    193
_cell_measurement_theta_max      23.98
_cell_measurement_theta_min      2.24
_shelx_estimated_absorpt_T_max   0.928
_shelx_estimated_absorpt_T_min   0.908
_exptl_absorpt_coefficient_mu    0.757
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6941
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             14472
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0607
_diffrn_reflns_av_unetI/netI     0.0519
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            70371
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.343
_diffrn_reflns_theta_min         2.195
_diffrn_ambient_temperature      193.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON 100'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE TXS PHOTON 100'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   TXS
_diffrn_source_type              'Rotaing Anode'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8522
_reflns_number_total             13766
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (Bruker, 2019)'
_computing_data_collection       'APEX3 V2019.11-0 (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.813
_refine_diff_density_min         -1.073
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     984
_refine_ls_number_reflns         13766
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.1012
_refine_ls_R_factor_gt           0.0607
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0978P)²+72.2735P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1638
_refine_ls_wR_factor_ref         0.1891
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Restrained distances
 C4-C7'
 1.39 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(O3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Sof(C6')=Sof(H6')=Sof(C7')=Sof(H7')=Sof(C8')=Sof(H8')=Sof(C9')=Sof(H9')=
 Sof(C12')=Sof(H12')=Sof(C13')=Sof(H13')=Sof(C14')=Sof(H14')=Sof(C15')=
 Sof(H15')=Sof(C18')=Sof(H18')=Sof(C19')=Sof(H19')=Sof(C20')=Sof(H20')=
 Sof(C21')=Sof(H21')=1-FVAR(1)
 Sof(C6)=Sof(H6)=Sof(C7)=Sof(H7)=Sof(C8)=Sof(H8)=Sof(C9)=Sof(H9)=Sof(C12)=
 Sof(H12)=Sof(C13)=Sof(H13)=Sof(C14)=Sof(H14)=Sof(C15)=Sof(H15)=Sof(C18)=
 Sof(H18)=Sof(C19)=Sof(H19)=Sof(C20)=Sof(H20)=Sof(C21)=Sof(H21)=FVAR(1)
 Sof(C30')=Sof(H30')=Sof(C31')=Sof(H31')=Sof(C32')=Sof(H32')=Sof(C33')=
 Sof(H33')=Sof(C36)=Sof(H36)=Sof(C37)=Sof(H37)=Sof(C38')=Sof(H38')=Sof(C39')=
 Sof(H39')=Sof(C45')=Sof(H45')=Sof(C43')=Sof(H43')=Sof(C42')=Sof(H42')=
 Sof(C44')=Sof(H44')=1-FVAR(2)
 Sof(C30)=Sof(H30)=Sof(C31)=Sof(H31)=Sof(C32)=Sof(H32)=Sof(C33)=Sof(H33)=
 Sof(C36')=Sof(H36')=Sof(C37')=Sof(H37')=Sof(C38)=Sof(H38)=Sof(C39)=Sof(H39)=
 Sof(C42)=Sof(H42)=Sof(C43)=Sof(H43)=Sof(C44)=Sof(H44)=Sof(C45)=Sof(H45)=FVAR(2)
 Fixed Sof: H3A(0.33333)
5.a Everything fixed:
 O3
5.b Riding coordinates:
 O1(H1A,H1B), O2(H2A,H2B), O3(H3A)
5.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C6(H6), C7(H7), C8(H8), C9(H9), C12(H12), C13(H13),
 C14(H14), C15(H15), C18(H18), C19(H19), C20(H20), C21(H21), C6'(H6'), C7'(H7'),
  C8'(H8'), C9'(H9'), C12'(H12'), C13'(H13'), C14'(H14'), C15'(H15'),
 C18'(H18'), C19'(H19'), C20'(H20'), C21'(H21'), C22(H22), C23(H23), C24(H24),
 C25(H25), C26(H26), C27(H27), C30(H30), C31(H31), C32(H32), C33(H33),
 C30'(H30'), C31'(H31'), C32'(H32'), C33'(H33'), C36'(H36'), C37'(H37'),
 C38(H38), C39(H39), C36(H36), C37(H37), C38'(H38'), C39'(H39'), C42(H42),
 C43(H43), C44(H44), C45(H45), C45'(H45'), C43'(H43'), C42'(H42'), C44'(H44'),
 C46(H46), C47(H47), C48(H48), C49(H49), C50(H50), C51(H51), C52(H52), C53(H53),
  C54(H54)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4053(2) 0.82146(16) -0.06715(19) 0.0884(19) Uani 1 1 d . . . . .
H1 H 0.389235 0.806380 -0.092834 0.106 Uiso 1 1 calc R U . . .
C2 C 0.4118(2) 0.80357(16) -0.03046(19) 0.090(2) Uani 1 1 d . . . . .
H2 H 0.401185 0.774113 -0.025445 0.108 Uiso 1 1 calc R U . . .
C3 C 0.44363(13) 0.87213(13) -0.02183(13) 0.0469(10) Uani 1 1 d . . . . .
H3 H 0.459797 0.899591 -0.008817 0.056 Uiso 1 1 calc R U . . .
C4 C 0.45202(13) 0.83269(13) 0.04148(13) 0.0470(10) Uani 1 1 d D . . . .
C5 C 0.48298(16) 0.82645(16) 0.12379(14) 0.0553(11) Uani 1 1 d . . . . .
C6 C 0.4906(3) 0.8634(3) 0.0567(3) 0.063(3) Uani 0.504(4) 1 d . . P A 1
H6 H 0.506822 0.887836 0.038522 0.076 Uiso 0.504(4) 1 calc R U P A 1
C7 C 0.4269(3) 0.7996(3) 0.0720(3) 0.057(2) Uani 0.504(4) 1 d . . P A 1
H7 H 0.398280 0.779419 0.064540 0.068 Uiso 0.504(4) 1 calc R U P A 1
C8 C 0.4436(3) 0.7965(3) 0.1124(3) 0.061(3) Uani 0.504(4) 1 d . . P A 1
H8 H 0.427262 0.773315 0.132113 0.073 Uiso 0.504(4) 1 calc R U P A 1
C9 C 0.5073(3) 0.8606(3) 0.0980(3) 0.071(3) Uani 0.504(4) 1 d . . P A 1
H9 H 0.534810 0.881957 0.107480 0.085 Uiso 0.504(4) 1 calc R U P A 1
C12 C 0.4812(3) 0.8611(3) 0.2742(3) 0.056(2) Uani 0.504(4) 1 d . . P A 1
H12 H 0.494305 0.885877 0.292486 0.067 Uiso 0.504(4) 1 calc R U P A 1
C13 C 0.4405(3) 0.7930(3) 0.2154(3) 0.066(3) Uani 0.504(4) 1 d . . P A 1
H13 H 0.425651 0.770985 0.194051 0.079 Uiso 0.504(4) 1 calc R U P A 1
C14 C 0.4999(3) 0.8596(3) 0.2344(3) 0.061(3) Uani 0.504(4) 1 d . . P A 1
H14 H 0.526501 0.883210 0.225873 0.074 Uiso 0.504(4) 1 calc R U P A 1
C15 C 0.4206(3) 0.7930(3) 0.2561(3) 0.065(3) Uani 0.504(4) 1 d . . P A 1
H15 H 0.392401 0.771195 0.262659 0.078 Uiso 0.504(4) 1 calc R U P A 1
C18 C 0.5673(4) 0.8392(5) 0.2031(3) 0.067(3) Uani 0.504(4) 1 d . . P A 1
H18 H 0.559099 0.849025 0.228761 0.080 Uiso 0.504(4) 1 calc R U P A 1
C19 C 0.6062(4) 0.8403(4) 0.2041(3) 0.057(2) Uani 0.504(4) 1 d . . P A 1
H19 H 0.624359 0.851055 0.229581 0.069 Uiso 0.504(4) 1 calc R U P A 1
C20 C 0.5924(3) 0.8105(4) 0.1302(3) 0.053(2) Uani 0.504(4) 1 d . . P A 1
H20 H 0.601437 0.800938 0.105035 0.064 Uiso 0.504(4) 1 calc R U P A 1
C21 C 0.5543(3) 0.8095(4) 0.1299(3) 0.057(2) Uani 0.504(4) 1 d . . P A 1
H21 H 0.536480 0.798474 0.104247 0.069 Uiso 0.504(4) 1 calc R U P A 1
C6' C 0.4612(3) 0.8628(3) 0.0708(3) 0.050(2) Uani 0.496(4) 1 d . . P A 2
H6' H 0.457534 0.886247 0.063760 0.060 Uiso 0.496(4) 1 calc R U P A 2
C7' C 0.4567(4) 0.7982(3) 0.0499(3) 0.086(4) Uani 0.496(4) 1 d D . P A 2
H7' H 0.450316 0.777014 0.027776 0.103 Uiso 0.496(4) 1 calc R U P A 2
C8' C 0.4711(6) 0.7957(4) 0.0919(4) 0.108(5) Uani 0.496(4) 1 d . . P A 2
H8' H 0.472902 0.771101 0.099109 0.130 Uiso 0.496(4) 1 calc R U P A 2
C9' C 0.4766(3) 0.8598(3) 0.1129(3) 0.050(2) Uani 0.496(4) 1 d . . P A 2
H9' H 0.482893 0.881279 0.134663 0.060 Uiso 0.496(4) 1 calc R U P A 2
C12' C 0.4534(3) 0.8556(3) 0.2563(3) 0.054(2) Uani 0.496(4) 1 d . . P A 2
H12' H 0.449039 0.878856 0.262198 0.065 Uiso 0.496(4) 1 calc R U P A 2
C13' C 0.4738(5) 0.7934(4) 0.2415(3) 0.095(4) Uani 0.496(4) 1 d . . P A 2
H13' H 0.480527 0.771690 0.235921 0.114 Uiso 0.496(4) 1 calc R U P A 2
C14' C 0.4698(3) 0.8531(3) 0.2154(3) 0.050(2) Uani 0.496(4) 1 d . . P A 2
H14' H 0.473306 0.872865 0.192576 0.060 Uiso 0.496(4) 1 calc R U P A 2
C15' C 0.4574(4) 0.7956(4) 0.2820(3) 0.090(4) Uani 0.496(4) 1 d . . P A 2
H15' H 0.455006 0.777337 0.306111 0.108 Uiso 0.496(4) 1 calc R U P A 2
C18' C 0.5509(3) 0.8100(3) 0.2044(3) 0.047(2) Uani 0.496(4) 1 d . . P A 2
H18' H 0.531982 0.799417 0.229307 0.056 Uiso 0.496(4) 1 calc R U P A 2
C19' C 0.5888(3) 0.8110(3) 0.2054(3) 0.040(2) Uani 0.496(4) 1 d . . P A 2
H19' H 0.596379 0.801381 0.231753 0.049 Uiso 0.496(4) 1 calc R U P A 2
C20' C 0.6057(3) 0.8414(3) 0.1311(3) 0.050(2) Uani 0.496(4) 1 d . . P A 2
H20' H 0.624315 0.851972 0.105929 0.060 Uiso 0.496(4) 1 calc R U P A 2
C21' C 0.5678(3) 0.8417(4) 0.1301(3) 0.054(2) Uani 0.496(4) 1 d . . P A 2
H21' H 0.560574 0.853156 0.105103 0.065 Uiso 0.496(4) 1 calc R U P A 2
C10 C 0.48083(16) 0.82449(17) 0.20673(15) 0.0614(12) Uani 1 1 d . . . . .
C11 C 0.44384(15) 0.82667(15) 0.28714(15) 0.0592(11) Uani 1 1 d . . . . .
C16 C 0.61749(13) 0.82582(13) 0.16851(12) 0.0450(9) Uani 1 1 d . . . . .
C17 C 0.54032(14) 0.82457(14) 0.16681(13) 0.0521(11) Uani 1 1 d . . . . .
C22 C 0.4006(2) 0.79436(19) 0.3565(2) 0.117(3) Uani 1 1 d . . . . .
H22 H 0.393389 0.765612 0.352047 0.141 Uiso 1 1 calc R U . . .
C23 C 0.3888(2) 0.8103(2) 0.3911(2) 0.112(2) Uani 1 1 d . . . . .
H23 H 0.371589 0.794243 0.415707 0.135 Uiso 1 1 calc R U . . .
C24 C 0.42728(15) 0.86303(15) 0.34757(14) 0.0570(11) Uani 1 1 d . . . . .
H24 H 0.442681 0.890758 0.334999 0.068 Uiso 1 1 calc R U . . .
C25 C 0.67502(15) 0.81496(18) 0.13538(14) 0.0665(13) Uani 1 1 d . . . . .
H25 H 0.664425 0.806938 0.105621 0.080 Uiso 1 1 calc R U . . .
C26 C 0.71099(16) 0.81838(18) 0.15197(14) 0.0676(14) Uani 1 1 d . . . . .
H26 H 0.730255 0.812859 0.135722 0.081 Uiso 1 1 calc R U . . .
C27 C 0.68202(13) 0.83465(13) 0.20557(12) 0.0479(10) Uani 1 1 d . . . . .
H27 H 0.676455 0.842761 0.234036 0.057 Uiso 1 1 calc R U . . .
C28 C 0.73357(14) 0.73253(13) 0.37290(14) 0.0504(10) Uani 1 1 d . . . . .
C29 C 0.69802(16) 0.69104(15) 0.45249(15) 0.0594(12) Uani 1 1 d . . . . .
C30 C 0.7235(3) 0.6902(3) 0.3770(3) 0.071(3) Uani 0.510(5) 1 d . . P B 1
H30 H 0.728406 0.675938 0.352937 0.085 Uiso 0.510(5) 1 calc R U P B 1
C31 C 0.7064(4) 0.6703(3) 0.4162(4) 0.083(3) Uani 0.510(5) 1 d . . P B 1
H31 H 0.699825 0.641613 0.419844 0.100 Uiso 0.510(5) 1 calc R U P B 1
C32 C 0.7242(3) 0.7526(3) 0.4044(3) 0.054(2) Uani 0.510(5) 1 d . . P B 1
H32 H 0.729685 0.780787 0.399602 0.065 Uiso 0.510(5) 1 calc R U P B 1
C33 C 0.7070(3) 0.7322(3) 0.4428(3) 0.062(3) Uani 0.510(5) 1 d . . P B 1
H33 H 0.700479 0.746801 0.465142 0.074 Uiso 0.510(5) 1 calc R U P B 1
C30' C 0.7610(3) 0.7331(3) 0.4092(3) 0.058(2) Uani 0.490(5) 1 d . . P B 2
H30' H 0.791034 0.747821 0.405937 0.069 Uiso 0.490(5) 1 calc R U P B 2
C31' C 0.7418(3) 0.7115(3) 0.4485(3) 0.065(3) Uani 0.490(5) 1 d . . P B 2
H31' H 0.758670 0.710720 0.472571 0.078 Uiso 0.490(5) 1 calc R U P B 2
C32' C 0.6927(3) 0.7149(4) 0.3815(4) 0.080(4) Uani 0.490(5) 1 d . . P B 2
H32' H 0.674843 0.716785 0.359285 0.096 Uiso 0.490(5) 1 calc R U P B 2
C33' C 0.6744(4) 0.6939(4) 0.4208(4) 0.092(4) Uani 0.490(5) 1 d . . P B 2
H33' H 0.644592 0.681287 0.425067 0.110 Uiso 0.490(5) 1 calc R U P B 2
C34 C 0.58049(16) 0.54355(15) 0.49789(15) 0.0661(13) Uani 1 1 d . . . . .
C35 C 0.64554(16) 0.62741(15) 0.49391(15) 0.0627(12) Uani 1 1 d . . . . .
C36' C 0.5872(4) 0.5710(4) 0.5320(4) 0.061(3) Uani 0.510(5) 1 d . . P B 1
H36' H 0.569308 0.561040 0.557744 0.073 Uiso 0.510(5) 1 calc R U P B 1
C37' C 0.6187(4) 0.6123(4) 0.5303(4) 0.065(3) Uani 0.510(5) 1 d . . P B 1
H37' H 0.622251 0.630911 0.554522 0.078 Uiso 0.510(5) 1 calc R U P B 1
C38 C 0.6090(5) 0.5576(4) 0.4618(4) 0.103(5) Uani 0.510(5) 1 d . . P B 1
H38 H 0.606260 0.538591 0.438381 0.123 Uiso 0.510(5) 1 calc R U P B 1
C39 C 0.6413(5) 0.5998(4) 0.4609(4) 0.095(4) Uani 0.510(5) 1 d . . P B 1
H39 H 0.660888 0.609477 0.436549 0.114 Uiso 0.510(5) 1 calc R U P B 1
C36 C 0.6064(6) 0.5623(5) 0.5330(4) 0.095(5) Uani 0.490(5) 1 d . . P B 2
H36 H 0.601693 0.546494 0.559923 0.114 Uiso 0.490(5) 1 calc R U P B 2
C37 C 0.6391(6) 0.6030(4) 0.5314(5) 0.102(6) Uani 0.490(5) 1 d . . P B 2
H37 H 0.657577 0.614666 0.556527 0.123 Uiso 0.490(5) 1 calc R U P B 2
C38' C 0.5823(3) 0.5677(3) 0.4600(3) 0.059(3) Uani 0.490(5) 1 d . . P B 2
H38' H 0.561656 0.556000 0.436695 0.071 Uiso 0.490(5) 1 calc R U P B 2
C39' C 0.6156(4) 0.6094(3) 0.4582(3) 0.064(3) Uani 0.490(5) 1 d . . P B 2
H39' H 0.618467 0.626356 0.432601 0.076 Uiso 0.490(5) 1 calc R U P B 2
C40 C 0.73023(14) 0.72516(14) 0.61790(15) 0.0546(11) Uani 1 1 d . . . . .
C41 C 0.69815(17) 0.69007(15) 0.53483(16) 0.0638(12) Uani 1 1 d . . . . .
C42 C 0.7110(5) 0.7405(5) 0.5922(5) 0.081(4) Uani 0.510(5) 1 d . . P B 1
H42 H 0.707263 0.763101 0.603051 0.098 Uiso 0.510(5) 1 calc R U P B 1
C43 C 0.7339(4) 0.6907(3) 0.6056(3) 0.066(3) Uani 0.510(5) 1 d . . P B 1
H43 H 0.746279 0.679070 0.625028 0.079 Uiso 0.510(5) 1 calc R U P B 1
C44 C 0.6972(5) 0.7246(5) 0.5521(4) 0.080(4) Uani 0.510(5) 1 d . . P B 1
H44 H 0.685756 0.737934 0.533761 0.096 Uiso 0.510(5) 1 calc R U P B 1
C45 C 0.7185(4) 0.6737(4) 0.5630(4) 0.075(3) Uani 0.510(5) 1 d . . P B 1
H45 H 0.721648 0.650692 0.552488 0.090 Uiso 0.510(5) 1 calc R U P B 1
C45' C 0.7382(4) 0.6997(4) 0.5445(3) 0.064(3) Uani 0.490(5) 1 d . . P B 2
H45' H 0.754427 0.694213 0.523207 0.077 Uiso 0.490(5) 1 calc R U P B 2
C43' C 0.7552(3) 0.7174(3) 0.5855(3) 0.057(2) Uani 0.490(5) 1 d . . P B 2
H43' H 0.783595 0.724690 0.592607 0.069 Uiso 0.490(5) 1 calc R U P B 2
C42' C 0.6916(4) 0.7197(4) 0.6031(4) 0.062(3) Uani 0.490(5) 1 d . . P B 2
H42' H 0.676761 0.729518 0.621246 0.074 Uiso 0.490(5) 1 calc R U P B 2
C44' C 0.6746(4) 0.7006(4) 0.5629(5) 0.069(3) Uani 0.490(5) 1 d . . P B 2
H44' H 0.646919 0.694647 0.554426 0.083 Uiso 0.490(5) 1 calc R U P B 2
C46 C 0.74110(13) 0.78043(13) 0.31100(14) 0.0495(10) Uani 1 1 d . . . . .
H46 H 0.720237 0.786708 0.321851 0.059 Uiso 1 1 calc R U . . .
C47 C 0.7894(2) 0.7802(3) 0.2719(2) 0.126(3) Uani 1 1 d . . . . .
H47 H 0.809544 0.785630 0.248687 0.151 Uiso 1 1 calc R U . . .
C48 C 0.7828(3) 0.7554(3) 0.3073(3) 0.136(3) Uani 1 1 d . . . . .
H48 H 0.797789 0.740889 0.314202 0.163 Uiso 1 1 calc R U . . .
C49 C 0.52775(16) 0.47193(16) 0.46734(15) 0.0708(14) Uani 1 1 d . . . . .
H49 H 0.528710 0.478612 0.436296 0.085 Uiso 1 1 calc R U . . .
C50 C 0.50525(16) 0.43314(16) 0.48633(14) 0.0677(14) Uani 1 1 d . . . . .
H50 H 0.487393 0.407422 0.470690 0.081 Uiso 1 1 calc R U . . .
C51 C 0.53805(18) 0.47695(17) 0.53952(14) 0.0755(15) Uani 1 1 d . . . . .
H51 H 0.548010 0.488815 0.568507 0.091 Uiso 1 1 calc R U . . .
C52 C 0.7700(3) 0.7334(3) 0.6890(2) 0.135(3) Uani 1 1 d . . . . .
H52 H 0.779041 0.713376 0.683239 0.162 Uiso 1 1 calc R U . . .
C53 C 0.74212(15) 0.77353(14) 0.68131(15) 0.0565(11) Uani 1 1 d . . . . .
H53 H 0.727543 0.786683 0.668647 0.068 Uiso 1 1 calc R U . . .
C54 C 0.7782(3) 0.7576(2) 0.7259(2) 0.126(3) Uani 1 1 d . . . . .
H54 H 0.793726 0.757112 0.751375 0.151 Uiso 1 1 calc R U . . .
F1 F 0.36518(18) 0.65768(19) 0.3996(2) 0.202(3) Uani 1 1 d . . . . .
F2 F 0.37483(13) 0.69770(15) 0.3351(3) 0.203(3) Uani 1 1 d . . . . .
F3 F 0.62990(7) 0.79319(7) 0.30236(7) 0.0486(6) Uani 1 1 d . . . . .
F4 F 0.66074(7) 0.86802(7) 0.30137(7) 0.0495(5) Uani 1 1 d . . . . .
F5 F 0.62759(6) 0.82922(7) 0.36849(6) 0.0435(5) Uani 1 1 d . . . . .
F6 F 0.49633(11) 0.46858(10) 0.30358(9) 0.0820(9) Uani 1 1 d . . . . .
F7 F 0.53191(10) 0.54318(9) 0.30082(9) 0.0849(9) Uani 1 1 d . . . . .
F8 F 0.45703(10) 0.50401(11) 0.30582(10) 0.0902(9) Uani 1 1 d . . . . .
F9 F 0.49880(9) 0.54594(8) 0.36861(8) 0.0693(7) Uani 1 1 d . . . . .
F10 F 0.46228(11) 0.47020(10) 0.37125(10) 0.0983(11) Uani 1 1 d . . . . .
F11 F 0.53677(11) 0.50836(12) 0.36567(9) 0.0960(10) Uani 1 1 d . . . . .
N1 N 0.50033(13) 0.82280(15) 0.16577(11) 0.0671(11) Uani 1 1 d . . . . .
N2 N 0.42496(13) 0.82823(12) 0.32924(13) 0.0635(10) Uani 1 1 d . . . . .
N3 N 0.40544(13) 0.85378(13) 0.38527(13) 0.0656(10) Uani 1 1 d . . . . .
N4 N 0.43646(11) 0.83609(10) -0.00201(11) 0.0482(8) Uani 1 1 d . . . . .
N5 N 0.42541(12) 0.86470(11) -0.06175(11) 0.0520(9) Uani 1 1 d . . . . .
N6 N 0.65648(11) 0.82531(11) 0.16971(9) 0.0462(8) Uani 1 1 d . . . . .
N7 N 0.71561(11) 0.83128(11) 0.19675(10) 0.0495(8) Uani 1 1 d . . . . .
N8 N 0.76293(11) 0.79647(11) 0.27386(11) 0.0518(8) Uani 1 1 d . . . . .
N9 N 0.75144(11) 0.75443(11) 0.33171(11) 0.0527(9) Uani 1 1 d . . . . .
N10 N 0.67923(14) 0.66969(13) 0.49319(13) 0.0726(12) Uani 1 1 d . . . . .
N11 N 0.74629(12) 0.74332(12) 0.66133(13) 0.0607(10) Uani 1 1 d . . . . .
N12 N 0.76074(14) 0.78310(12) 0.72103(13) 0.0653(10) Uani 1 1 d . . . . .
N13 N 0.54878(13) 0.49954(12) 0.50136(11) 0.0653(11) Uani 1 1 d . . . . .
N14 N 0.51234(13) 0.43684(13) 0.53199(12) 0.0661(11) Uani 1 1 d . . . . .
O1 O 0.80456(11) 0.84645(12) 0.18722(10) 0.0765(10) Uani 1 1 d . . . . .
H1A H 0.833272 0.862828 0.197898 0.115 Uiso 1 1 d R U . . .
H1B H 0.800922 0.860018 0.161228 0.115 Uiso 1 1 d R U . . .
O2 O 0.50000(15) 0.34744(14) 0.53369(13) 0.1092(14) Uani 1 1 d . . . . .
H2A H 0.494699 0.322872 0.550893 0.164 Uiso 1 1 d R U . . .
H2B H 0.526879 0.358701 0.518613 0.164 Uiso 1 1 d R U . . .
Si1 Si 0.333333 0.666667 0.3633(2) 0.160(2) Uani 1 3 d S T P . .
Si2 Si 0.666667 0.833333 0.333333 0.0324(3) Uani 1 2 d S . P . .
Si3 Si 0.49706(4) 0.50680(4) 0.33571(4) 0.0520(3) Uani 1 1 d . . . . .
Zn1 Zn 0.76349(2) 0.84215(2) 0.23621(2) 0.05245(16) Uani 1 1 d . . . . .
Zn2 Zn 0.50108(2) 0.39278(2) 0.57691(2) 0.0710(2) Uani 1 1 d . . . . .
O3 O 0.333333 0.666667 0.225710 0.298 Uani 1 3 d S TU P . .
H3A H 0.344450 0.669770 0.199810 0.447 Uiso 0.3333 1 d 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
C1 H1 0.9500 . ?
C1 C2 1.348(7) . ?
C1 N5 1.370(6) . ?
C2 H2 0.9500 . ?
C2 N4 1.361(6) . ?
C3 H3 0.9500 . ?
C3 N4 1.336(5) . ?
C3 N5 1.319(5) . ?
C4 C6 1.360(10) . ?
C4 C7 1.415(9) . ?
C4 C6' 1.304(9) . ?
C4 C7' 1.368(7) . ?
C4 N4 1.440(5) . ?
C5 C8 1.337(11) . ?
C5 C9 1.346(11) . ?
C5 C8' 1.359(11) . ?
C5 C9' 1.378(10) . ?
C5 N1 1.433(5) . ?
C6 H6 0.9500 . ?
C6 C9 1.394(12) . ?
C7 H7 0.9500 . ?
C7 C8 1.375(13) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C12 H12 0.9500 . ?
C12 C14 1.379(12) . ?
C12 C11 1.362(10) . ?
C13 H13 0.9500 . ?
C13 C15 1.408(13) . ?
C13 C10 1.358(11) . ?
C14 H14 0.9500 . ?
C14 C10 1.377(11) . ?
C15 H15 0.9500 . ?
C15 C11 1.422(10) . ?
C18 H18 0.9500 . ?
C18 C19 1.394(14) . ?
C18 C17 1.374(12) . ?
C19 H19 0.9500 . ?
C19 C16 1.331(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.367(12) . ?
C20 C16 1.387(9) . ?
C21 H21 0.9500 . ?
C21 C17 1.425(10) . ?
C6' H6' 0.9500 . ?
C6' C9' 1.395(11) . ?
C7' H7' 0.9500 . ?
C7' C8' 1.374(14) . ?
C8' H8' 0.9500 . ?
C9' H9' 0.9500 . ?
C12' H12' 0.9500 . ?
C12' C14' 1.376(12) . ?
C12' C11 1.303(10) . ?
C13' H13' 0.9500 . ?
C13' C15' 1.363(14) . ?
C13' C10 1.454(11) . ?
C14' H14' 0.9500 . ?
C14' C10 1.311(10) . ?
C15' H15' 0.9500 . ?
C15' C11 1.447(11) . ?
C18' H18' 0.9500 . ?
C18' C19' 1.362(12) . ?
C18' C17 1.369(10) . ?
C19' H19' 0.9500 . ?
C19' C16 1.420(9) . ?
C20' H20' 0.9500 . ?
C20' C21' 1.384(13) . ?
C20' C16 1.406(10) . ?
C21' H21' 0.9500 . ?
C21' C17 1.396(10) . ?
C10 N1 1.424(6) . ?
C11 N2 1.441(5) . ?
C16 N6 1.425(5) . ?
C17 N1 1.421(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.351(8) . ?
C22 N2 1.365(7) . ?
C23 H23 0.9500 . ?
C23 N3 1.389(7) . ?
C24 H24 0.9500 . ?
C24 N2 1.339(6) . ?
C24 N3 1.315(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.342(6) . ?
C25 N6 1.374(5) . ?
C26 H26 0.9500 . ?
C26 N7 1.393(5) . ?
C27 H27 0.9500 . ?
C27 N6 1.340(5) . ?
C27 N7 1.311(5) . ?
C28 C30 1.395(10) . ?
C28 C32 1.329(9) . ?
C28 C30' 1.461(10) . ?
C28 C32' 1.315(11) . ?
C28 N9 1.427(5) . ?
C29 C31 1.435(12) . ?
C29 C33 1.391(11) . ?
C29 C31' 1.384(11) . ?
C29 C33' 1.311(12) . ?
C29 N10 1.414(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.347(13) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C32 C33 1.335(12) . ?
C33 H33 0.9500 . ?
C30' H30' 0.9500 . ?
C30' C31' 1.384(12) . ?
C31' H31' 0.9500 . ?
C32' H32' 0.9500 . ?
C32' C33' 1.371(14) . ?
C33' H33' 0.9500 . ?
C34 C36' 1.354(13) . ?
C34 C38 1.396(11) . ?
C34 C36 1.339(14) . ?
C34 C38' 1.409(10) . ?
C34 N13 1.431(6) . ?
C35 C37' 1.373(12) . ?
C35 C39 1.357(13) . ?
C35 C37 1.369(13) . ?
C35 C39' 1.422(11) . ?
C35 N10 1.405(6) . ?
C36' H36' 0.9500 . ?
C36' C37' 1.360(17) . ?
C37' H37' 0.9500 . ?
C38 H38 0.9500 . ?
C38 C39 1.388(16) . ?
C39 H39 0.9500 . ?
C36 H36 0.9500 . ?
C36 C37 1.357(19) . ?
C37 H37 0.9500 . ?
C38' H38' 0.9500 . ?
C38' C39' 1.388(14) . ?
C39' H39' 0.9500 . ?
C40 C42 1.331(14) . ?
C40 C43 1.372(10) . ?
C40 C43' 1.443(11) . ?
C40 C42' 1.385(14) . ?
C40 N11 1.434(6) . ?
C41 C44 1.373(14) . ?
C41 C45 1.428(12) . ?
C41 C45' 1.345(12) . ?
C41 C44' 1.379(14) . ?
C41 N10 1.429(6) . ?
C42 H42 0.9500 . ?
C42 C44 1.310(19) . ?
C43 H43 0.9500 . ?
C43 C45 1.398(14) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C45' H45' 0.9500 . ?
C45' C43' 1.374(13) . ?
C43' H43' 0.9500 . ?
C42' H42' 0.9500 . ?
C42' C44' 1.363(17) . ?
C44' H44' 0.9500 . ?
C46 H46 0.9500 . ?
C46 N8 1.313(5) . ?
C46 N9 1.328(5) . ?
C47 H47 0.9500 . ?
C47 C48 1.326(8) . ?
C47 N8 1.360(6) . ?
C48 H48 0.9500 . ?
C48 N9 1.334(6) . ?
C49 H49 0.9500 . ?
C49 C50 1.348(7) . ?
C49 N13 1.358(6) . ?
C50 H50 0.9500 . ?
C50 N14 1.375(5) . ?
C51 H51 0.9500 . ?
C51 N13 1.338(5) . ?
C51 N14 1.297(6) . ?
C52 H52 0.9500 . ?
C52 C54 1.342(8) . ?
C52 N11 1.363(7) . ?
C53 H53 0.9500 . ?
C53 N11 1.320(5) . ?
C53 N12 1.317(6) . ?
C54 H54 0.9500 . ?
C54 N12 1.366(7) . ?
F1 Si1 1.728(7) . ?
F2 Si1 1.594(6) . ?
F3 Si2 1.675(2) . ?
F4 Si2 1.675(2) . ?
F5 Si2 1.707(2) . ?
F6 Si3 1.673(3) . ?
F7 Si3 1.658(3) . ?
F8 Si3 1.662(3) . ?
F9 Si3 1.700(3) . ?
F10 Si3 1.672(3) . ?
F11 Si3 1.671(3) . ?
N3 Zn2 2.000(4) 11_566 ?
N5 Zn1 1.993(3) 9_564 ?
N7 Zn1 1.966(3) . ?
N8 Zn1 1.992(3) . ?
N12 Zn2 1.970(4) 15_556 ?
N14 Zn2 1.963(4) . ?
O1 H1A 0.9596 . ?
O1 H1B 0.9600 . ?
O1 Zn1 2.033(3) . ?
O2 H2A 0.9603 . ?
O2 H2B 0.9598 . ?
O2 Zn2 2.072(5) . ?
O3 H3A 1(10) 2_665 ?
O3 H3A 1(10) 3_565 ?
O3 H3A 0.8499 . ?

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
C2 C1 H1 125.2 . . ?
C2 C1 N5 109.6(4) . . ?
N5 C1 H1 125.2 . . ?
C1 C2 H2 126.8 . . ?
C1 C2 N4 106.4(4) . . ?
N4 C2 H2 126.8 . . ?
N4 C3 H3 124.3 . . ?
N5 C3 H3 124.3 . . ?
N5 C3 N4 111.3(3) . . ?
C6 C4 C7 116.5(6) . . ?
C6 C4 N4 121.1(5) . . ?
C7 C4 N4 122.2(5) . . ?
C6' C4 C7' 123.1(6) . . ?
C6' C4 N4 118.4(5) . . ?
C7' C4 N4 118.5(5) . . ?
C8 C5 C9 123.2(6) . . ?
C8 C5 N1 119.0(5) . . ?
C9 C5 N1 117.7(6) . . ?
C8' C5 C9' 115.8(6) . . ?
C8' C5 N1 120.2(6) . . ?
C9' C5 N1 124.0(5) . . ?
C4 C6 H6 118.6 . . ?
C4 C6 C9 122.7(8) . . ?
C9 C6 H6 118.6 . . ?
C4 C7 H7 119.8 . . ?
C8 C7 C4 120.4(8) . . ?
C8 C7 H7 119.8 . . ?
C5 C8 C7 119.4(8) . . ?
C5 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C5 C9 C6 117.3(9) . . ?
C5 C9 H9 121.3 . . ?
C6 C9 H9 121.3 . . ?
C14 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C11 C12 C14 119.4(8) . . ?
C15 C13 H13 120.0 . . ?
C10 C13 H13 120.0 . . ?
C10 C13 C15 120.0(8) . . ?
C12 C14 H14 119.4 . . ?
C10 C14 C12 121.2(8) . . ?
C10 C14 H14 119.4 . . ?
C13 C15 H15 120.9 . . ?
C13 C15 C11 118.2(8) . . ?
C11 C15 H15 120.9 . . ?
C19 C18 H18 118.5 . . ?
C17 C18 H18 118.5 . . ?
C17 C18 C19 122.9(8) . . ?
C18 C19 H19 120.7 . . ?
C16 C19 C18 118.6(8) . . ?
C16 C19 H19 120.7 . . ?
C21 C20 H20 121.0 . . ?
C21 C20 C16 117.9(8) . . ?
C16 C20 H20 121.0 . . ?
C20 C21 H21 118.8 . . ?
C20 C21 C17 122.3(8) . . ?
C17 C21 H21 118.8 . . ?
C4 C6' H6' 120.7 . . ?
C4 C6' C9' 118.6(8) . . ?
C9' C6' H6' 120.7 . . ?
C4 C7' H7' 121.5 . . ?
C4 C7' C8' 117.1(8) . . ?
C8' C7' H7' 121.5 . . ?
C5 C8' C7' 123.4(9) . . ?
C5 C8' H8' 118.3 . . ?
C7' C8' H8' 118.3 . . ?
C5 C9' C6' 121.9(7) . . ?
C5 C9' H9' 119.0 . . ?
C6' C9' H9' 119.0 . . ?
C14' C12' H12' 119.4 . . ?
C11 C12' H12' 119.4 . . ?
C11 C12' C14' 121.1(8) . . ?
C15' C13' H13' 120.2 . . ?
C15' C13' C10 119.7(9) . . ?
C10 C13' H13' 120.2 . . ?
C12' C14' H14' 118.6 . . ?
C10 C14' C12' 122.7(8) . . ?
C10 C14' H14' 118.6 . . ?
C13' C15' H15' 121.1 . . ?
C13' C15' C11 117.8(8) . . ?
C11 C15' H15' 121.1 . . ?
C19' C18' H18' 120.5 . . ?
C19' C18' C17 118.9(8) . . ?
C17 C18' H18' 120.5 . . ?
C18' C19' H19' 118.9 . . ?
C18' C19' C16 122.1(7) . . ?
C16 C19' H19' 118.9 . . ?
C21' C20' H20' 119.2 . . ?
C21' C20' C16 121.6(8) . . ?
C16 C20' H20' 119.2 . . ?
C20' C21' H21' 120.9 . . ?
C20' C21' C17 118.2(7) . . ?
C17 C21' H21' 120.9 . . ?
C13 C10 C14 119.8(6) . . ?
C13 C10 N1 118.5(6) . . ?
C14 C10 N1 121.2(6) . . ?
C14' C10 C13' 118.0(6) . . ?
C14' C10 N1 123.9(5) . . ?
N1 C10 C13' 118.1(6) . . ?
C12 C11 C15 119.8(6) . . ?
C12 C11 N2 118.9(5) . . ?
C15 C11 N2 120.4(5) . . ?
C12' C11 C15' 119.8(6) . . ?
C12' C11 N2 121.2(6) . . ?
N2 C11 C15' 118.4(5) . . ?
C19 C16 C20 122.7(7) . . ?
C19 C16 N6 119.2(5) . . ?
C20 C16 N6 118.2(5) . . ?
C19' C16 N6 121.3(4) . . ?
C20' C16 C19' 116.8(6) . . ?
C20' C16 N6 121.8(5) . . ?
C18 C17 C21 115.5(6) . . ?
C18 C17 N1 123.4(5) . . ?
C18' C17 C21' 122.2(6) . . ?
C18' C17 N1 118.5(5) . . ?
C21' C17 N1 119.3(5) . . ?
N1 C17 C21 121.1(5) . . ?
C23 C22 H22 127.3 . . ?
C23 C22 N2 105.4(5) . . ?
N2 C22 H22 127.3 . . ?
C22 C23 H23 125.0 . . ?
C22 C23 N3 110.0(5) . . ?
N3 C23 H23 125.0 . . ?
N2 C24 H24 124.5 . . ?
N3 C24 H24 124.5 . . ?
N3 C24 N2 111.1(4) . . ?
C26 C25 H25 126.6 . . ?
C26 C25 N6 106.8(4) . . ?
N6 C25 H25 126.6 . . ?
C25 C26 H26 125.4 . . ?
C25 C26 N7 109.3(4) . . ?
N7 C26 H26 125.4 . . ?
N6 C27 H27 124.0 . . ?
N7 C27 H27 124.0 . . ?
N7 C27 N6 112.1(3) . . ?
C30 C28 N9 118.9(5) . . ?
C32 C28 C30 123.0(6) . . ?
C32 C28 N9 117.9(5) . . ?
C32' C28 C30' 117.3(6) . . ?
C32' C28 N9 121.7(5) . . ?
N9 C28 C30' 120.6(5) . . ?
C33 C29 C31 114.3(7) . . ?
C33 C29 N10 123.7(6) . . ?
C31' C29 N10 118.5(5) . . ?
C33' C29 C31' 121.2(7) . . ?
C33' C29 N10 120.1(6) . . ?
N10 C29 C31 121.8(6) . . ?
C28 C30 H30 121.2 . . ?
C31 C30 C28 117.6(9) . . ?
C31 C30 H30 121.2 . . ?
C29 C31 H31 119.0 . . ?
C30 C31 C29 122.0(9) . . ?
C30 C31 H31 119.0 . . ?
C28 C32 H32 120.8 . . ?
C28 C32 C33 118.3(8) . . ?
C33 C32 H32 120.8 . . ?
C29 C33 H33 117.7 . . ?
C32 C33 C29 124.5(8) . . ?
C32 C33 H33 117.7 . . ?
C28 C30' H30' 121.0 . . ?
C31' C30' C28 118.0(8) . . ?
C31' C30' H30' 121.0 . . ?
C29 C31' C30' 119.5(8) . . ?
C29 C31' H31' 120.2 . . ?
C30' C31' H31' 120.2 . . ?
C28 C32' H32' 118.3 . . ?
C28 C32' C33' 123.3(9) . . ?
C33' C32' H32' 118.3 . . ?
C29 C33' C32' 120.2(10) . . ?
C29 C33' H33' 119.9 . . ?
C32' C33' H33' 119.9 . . ?
C36' C34 C38 118.6(8) . . ?
C36' C34 N13 121.0(6) . . ?
C38 C34 N13 119.9(6) . . ?
C36 C34 C38' 120.2(8) . . ?
C36 C34 N13 118.7(7) . . ?
C38' C34 N13 120.9(6) . . ?
C37' C35 N10 120.3(6) . . ?
C39 C35 C37' 118.6(8) . . ?
C39 C35 N10 120.8(6) . . ?
C37 C35 C39' 117.8(8) . . ?
C37 C35 N10 119.5(7) . . ?
N10 C35 C39' 122.5(5) . . ?
C34 C36' H36' 119.1 . . ?
C34 C36' C37' 121.8(10) . . ?
C37' C36' H36' 119.1 . . ?
C35 C37' H37' 119.8 . . ?
C36' C37' C35 120.5(10) . . ?
C36' C37' H37' 119.8 . . ?
C34 C38 H38 120.6 . . ?
C39 C38 C34 118.8(10) . . ?
C39 C38 H38 120.6 . . ?
C35 C39 C38 121.5(10) . . ?
C35 C39 H39 119.3 . . ?
C38 C39 H39 119.3 . . ?
C34 C36 H36 118.8 . . ?
C34 C36 C37 122.5(11) . . ?
C37 C36 H36 118.8 . . ?
C35 C37 H37 119.8 . . ?
C36 C37 C35 120.4(11) . . ?
C36 C37 H37 119.8 . . ?
C34 C38' H38' 121.5 . . ?
C39' C38' C34 117.0(8) . . ?
C39' C38' H38' 121.5 . . ?
C35 C39' H39' 119.3 . . ?
C38' C39' C35 121.4(8) . . ?
C38' C39' H39' 119.3 . . ?
C42 C40 C43 122.8(9) . . ?
C42 C40 N11 120.0(8) . . ?
C43 C40 N11 117.1(5) . . ?
C42' C40 C43' 116.7(7) . . ?
C42' C40 N11 120.1(6) . . ?
N11 C40 C43' 122.6(5) . . ?
C44 C41 C45 114.6(8) . . ?
C44 C41 N10 124.9(7) . . ?
C45 C41 N10 120.4(6) . . ?
C45' C41 C44' 122.6(8) . . ?
C45' C41 N10 119.7(6) . . ?
C44' C41 N10 117.6(6) . . ?
C40 C42 H42 119.9 . . ?
C44 C42 C40 120.1(12) . . ?
C44 C42 H42 119.9 . . ?
C40 C43 H43 121.8 . . ?
C40 C43 C45 116.4(8) . . ?
C45 C43 H43 121.8 . . ?
C41 C44 H44 117.8 . . ?
C42 C44 C41 124.4(10) . . ?
C42 C44 H44 117.8 . . ?
C41 C45 H45 119.2 . . ?
C43 C45 C41 121.5(9) . . ?
C43 C45 H45 119.2 . . ?
C41 C45' H45' 120.5 . . ?
C41 C45' C43' 119.0(9) . . ?
C43' C45' H45' 120.5 . . ?
C40 C43' H43' 119.9 . . ?
C45' C43' C40 120.2(9) . . ?
C45' C43' H43' 119.9 . . ?
C40 C42' H42' 119.3 . . ?
C44' C42' C40 121.4(11) . . ?
C44' C42' H42' 119.3 . . ?
C41 C44' H44' 120.5 . . ?
C42' C44' C41 119.0(11) . . ?
C42' C44' H44' 120.5 . . ?
N8 C46 H46 123.8 . . ?
N8 C46 N9 112.5(4) . . ?
N9 C46 H46 123.8 . . ?
C48 C47 H47 125.3 . . ?
C48 C47 N8 109.4(5) . . ?
N8 C47 H47 125.3 . . ?
C47 C48 H48 125.9 . . ?
C47 C48 N9 108.2(5) . . ?
N9 C48 H48 125.9 . . ?
C50 C49 H49 126.8 . . ?
C50 C49 N13 106.4(4) . . ?
N13 C49 H49 126.8 . . ?
C49 C50 H50 125.5 . . ?
C49 C50 N14 109.0(4) . . ?
N14 C50 H50 125.5 . . ?
N13 C51 H51 124.2 . . ?
N14 C51 H51 124.2 . . ?
N14 C51 N13 111.6(4) . . ?
C54 C52 H52 126.8 . . ?
C54 C52 N11 106.3(5) . . ?
N11 C52 H52 126.8 . . ?
N11 C53 H53 124.3 . . ?
N12 C53 H53 124.3 . . ?
N12 C53 N11 111.4(4) . . ?
C52 C54 H54 125.3 . . ?
C52 C54 N12 109.4(5) . . ?
N12 C54 H54 125.3 . . ?
C10 N1 C5 119.3(4) . . ?
C17 N1 C5 120.1(3) . . ?
C17 N1 C10 119.9(3) . . ?
C22 N2 C11 125.9(4) . . ?
C24 N2 C11 125.7(4) . . ?
C24 N2 C22 108.4(4) . . ?
C23 N3 Zn2 126.3(3) . 11_566 ?
C24 N3 C23 105.1(4) . . ?
C24 N3 Zn2 128.3(3) . 11_566 ?
C2 N4 C4 126.8(4) . . ?
C3 N4 C2 107.3(4) . . ?
C3 N4 C4 125.9(3) . . ?
C1 N5 Zn1 124.3(3) . 9_564 ?
C3 N5 C1 105.4(4) . . ?
C3 N5 Zn1 127.2(3) . 9_564 ?
C25 N6 C16 127.6(3) . . ?
C27 N6 C16 125.6(3) . . ?
C27 N6 C25 106.7(3) . . ?
C26 N7 Zn1 125.7(3) . . ?
C27 N7 C26 105.1(3) . . ?
C27 N7 Zn1 129.2(3) . . ?
C46 N8 C47 104.2(4) . . ?
C46 N8 Zn1 126.5(3) . . ?
C47 N8 Zn1 128.5(4) . . ?
C46 N9 C28 125.6(4) . . ?
C46 N9 C48 105.7(4) . . ?
C48 N9 C28 128.7(4) . . ?
C29 N10 C41 118.8(4) . . ?
C35 N10 C29 122.0(4) . . ?
C35 N10 C41 118.9(4) . . ?
C52 N11 C40 125.9(4) . . ?
C53 N11 C40 126.7(4) . . ?
C53 N11 C52 107.4(4) . . ?
C53 N12 C54 105.5(4) . . ?
C53 N12 Zn2 125.8(3) . 15_556 ?
C54 N12 Zn2 126.4(4) . 15_556 ?
C49 N13 C34 127.7(4) . . ?
C51 N13 C34 124.8(4) . . ?
C51 N13 C49 107.1(4) . . ?
C50 N14 Zn2 129.7(3) . . ?
C51 N14 C50 105.9(4) . . ?
C51 N14 Zn2 122.5(3) . . ?
H1A O1 H1B 109.5 . . ?
Zn1 O1 H1A 109.8 . . ?
Zn1 O1 H1B 109.4 . . ?
H2A O2 H2B 109.4 . . ?
Zn2 O2 H2A 108.9 . . ?
Zn2 O2 H2B 109.8 . . ?
F1 Si1 F1 85.1(4) 2_665 3_565 ?
F1 Si1 F1 85.1(4) 3_565 . ?
F1 Si1 F1 85.1(4) 2_665 . ?
F2 Si1 F1 172.8(5) . 3_565 ?
F2 Si1 F1 88.7(3) . . ?
F2 Si1 F1 172.8(5) 2_665 . ?
F2 Si1 F1 88.7(3) 3_565 3_565 ?
F2 Si1 F1 90.9(3) 2_665 3_565 ?
F2 Si1 F1 172.8(5) 3_565 2_665 ?
F2 Si1 F1 88.7(3) 2_665 2_665 ?
F2 Si1 F1 90.9(3) . 2_665 ?
F2 Si1 F1 90.9(3) 3_565 . ?
F2 Si1 F2 95.0(4) 2_665 . ?
F2 Si1 F2 95.0(4) . 3_565 ?
F2 Si1 F2 95.0(4) 2_665 3_565 ?
F3 Si2 F3 180.0 . 16_665 ?
F3 Si2 F5 90.33(10) . 16_665 ?
F3 Si2 F5 90.33(10) 16_665 . ?
F3 Si2 F5 89.67(10) 16_665 16_665 ?
F3 Si2 F5 89.67(10) . . ?
F4 Si2 F3 90.21(11) 16_665 . ?
F4 Si2 F3 89.79(11) 16_665 16_665 ?
F4 Si2 F3 90.21(11) . 16_665 ?
F4 Si2 F3 89.79(11) . . ?
F4 Si2 F4 180.00(16) 16_665 . ?
F4 Si2 F5 89.95(10) 16_665 16_665 ?
F4 Si2 F5 90.05(10) . 16_665 ?
F4 Si2 F5 90.05(10) 16_665 . ?
F4 Si2 F5 89.95(10) . . ?
F5 Si2 F5 180.0 16_665 . ?
F6 Si3 F9 178.89(17) . . ?
F7 Si3 F6 89.62(16) . . ?
F7 Si3 F8 90.57(17) . . ?
F7 Si3 F9 89.94(15) . . ?
F7 Si3 F10 179.5(2) . . ?
F7 Si3 F11 90.26(18) . . ?
F8 Si3 F6 89.64(16) . . ?
F8 Si3 F9 91.38(16) . . ?
F8 Si3 F10 89.96(19) . . ?
F8 Si3 F11 178.66(19) . . ?
F10 Si3 F6 90.51(17) . . ?
F10 Si3 F9 89.92(15) . . ?
F11 Si3 F6 89.31(17) . . ?
F11 Si3 F9 89.68(16) . . ?
F11 Si3 F10 89.22(19) . . ?
N5 Zn1 O1 99.48(14) 5_665 . ?
N7 Zn1 N5 129.45(15) . 5_665 ?
N7 Zn1 N8 121.86(15) . . ?
N7 Zn1 O1 97.43(13) . . ?
N8 Zn1 N5 101.61(14) . 5_665 ?
N8 Zn1 O1 99.67(15) . . ?
N3 Zn2 O2 100.45(18) 12_656 . ?
N12 Zn2 N3 107.62(17) 14_456 12_656 ?
N12 Zn2 O2 98.75(17) 14_456 . ?
N14 Zn2 N3 113.68(17) . 12_656 ?
N14 Zn2 N12 131.33(18) . 14_456 ?
N14 Zn2 O2 98.01(17) . . ?
H3A O3 H3A 43.1 2_665 3_565 ?
H3A O3 H3A 43.1 . 3_565 ?
H3A O3 H3A 43.1 . 2_665 ?

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
C1 C2 N4 C3 0.8(7) . . . . ?
C1 C2 N4 C4 -179.4(5) . . . . ?
C2 C1 N5 C3 -0.1(7) . . . . ?
C2 C1 N5 Zn1 -161.3(4) . . . 9_564 ?
C4 C6 C9 C5 -2.4(16) . . . . ?
C4 C7 C8 C5 3.9(14) . . . . ?
C4 C6' C9' C5 1.1(13) . . . . ?
C4 C7' C8' C5 -4(2) . . . . ?
C6 C4 C7 C8 -8.2(12) . . . . ?
C6 C4 N4 C2 146.3(7) . . . . ?
C6 C4 N4 C3 -33.9(8) . . . . ?
C7 C4 C6 C9 7.5(14) . . . . ?
C7 C4 N4 C2 -39.4(8) . . . . ?
C7 C4 N4 C3 140.4(6) . . . . ?
C8 C5 C9 C6 -2.5(14) . . . . ?
C8 C5 N1 C10 -63.6(8) . . . . ?
C8 C5 N1 C17 126.7(7) . . . . ?
C9 C5 C8 C7 1.7(14) . . . . ?
C9 C5 N1 C10 115.4(7) . . . . ?
C9 C5 N1 C17 -54.3(8) . . . . ?
C12 C14 C10 C13 8.7(13) . . . . ?
C12 C14 C10 N1 -179.5(7) . . . . ?
C12 C11 N2 C22 -149.4(8) . . . . ?
C12 C11 N2 C24 32.9(8) . . . . ?
C13 C15 C11 C12 10.6(12) . . . . ?
C13 C15 C11 N2 179.9(7) . . . . ?
C13 C10 N1 C5 64.6(8) . . . . ?
C13 C10 N1 C17 -125.7(7) . . . . ?
C14 C12 C11 C15 -11.7(13) . . . . ?
C14 C12 C11 N2 178.8(7) . . . . ?
C14 C10 N1 C5 -107.3(7) . . . . ?
C14 C10 N1 C17 62.4(8) . . . . ?
C15 C13 C10 C14 -9.6(13) . . . . ?
C15 C13 C10 N1 178.3(7) . . . . ?
C15 C11 N2 C22 41.2(9) . . . . ?
C15 C11 N2 C24 -136.5(6) . . . . ?
C18 C19 C16 C20 1.2(15) . . . . ?
C18 C19 C16 N6 -177.8(9) . . . . ?
C18 C17 N1 C5 151.3(8) . . . . ?
C18 C17 N1 C10 -18.3(10) . . . . ?
C19 C18 C17 C21 1.2(16) . . . . ?
C19 C18 C17 N1 179.1(10) . . . . ?
C19 C16 N6 C25 -174.3(7) . . . . ?
C19 C16 N6 C27 6.5(9) . . . . ?
C20 C21 C17 C18 -1.4(15) . . . . ?
C20 C21 C17 N1 -179.3(9) . . . . ?
C20 C16 N6 C25 6.7(8) . . . . ?
C20 C16 N6 C27 -172.5(6) . . . . ?
C21 C20 C16 C19 -1.4(14) . . . . ?
C21 C20 C16 N6 177.6(8) . . . . ?
C21 C17 N1 C5 -30.9(9) . . . . ?
C21 C17 N1 C10 159.5(7) . . . . ?
C6' C4 C7' C8' 1.2(18) . . . . ?
C6' C4 N4 C2 -155.0(7) . . . . ?
C6' C4 N4 C3 24.7(8) . . . . ?
C7' C4 C6' C9' 0.0(14) . . . . ?
C7' C4 N4 C2 25.4(10) . . . . ?
C7' C4 N4 C3 -154.9(8) . . . . ?
C8' C5 C9' C6' -3.5(14) . . . . ?
C8' C5 N1 C10 -124.2(10) . . . . ?
C8' C5 N1 C17 66.1(11) . . . . ?
C9' C5 C8' C7' 5(2) . . . . ?
C9' C5 N1 C10 54.9(8) . . . . ?
C9' C5 N1 C17 -114.8(7) . . . . ?
C12' C14' C10 C13' 2.3(14) . . . . ?
C12' C14' C10 N1 -175.9(7) . . . . ?
C12' C11 N2 C22 155.6(8) . . . . ?
C12' C11 N2 C24 -22.2(9) . . . . ?
C13' C15' C11 C12' -10.6(17) . . . . ?
C13' C15' C11 N2 177.6(10) . . . . ?
C13' C10 N1 C5 135.0(8) . . . . ?
C13' C10 N1 C17 -55.3(9) . . . . ?
C14' C12' C11 C15' 11.2(14) . . . . ?
C14' C12' C11 N2 -177.3(7) . . . . ?
C14' C10 N1 C5 -46.8(9) . . . . ?
C14' C10 N1 C17 122.9(7) . . . . ?
C15' C13' C10 C14' -2.0(17) . . . . ?
C15' C13' C10 N1 176.3(11) . . . . ?
C15' C11 N2 C22 -32.8(10) . . . . ?
C15' C11 N2 C24 149.4(8) . . . . ?
C18' C19' C16 C20' 2.7(12) . . . . ?
C18' C19' C16 N6 -178.0(8) . . . . ?
C18' C17 N1 C5 -162.9(6) . . . . ?
C18' C17 N1 C10 27.4(8) . . . . ?
C19' C18' C17 C21' -2.1(13) . . . . ?
C19' C18' C17 N1 179.0(8) . . . . ?
C19' C16 N6 C25 140.1(6) . . . . ?
C19' C16 N6 C27 -39.2(8) . . . . ?
C20' C21' C17 C18' 3.8(13) . . . . ?
C20' C21' C17 N1 -177.3(8) . . . . ?
C20' C16 N6 C25 -40.6(8) . . . . ?
C20' C16 N6 C27 140.1(6) . . . . ?
C21' C20' C16 C19' -0.9(13) . . . . ?
C21' C20' C16 N6 179.8(8) . . . . ?
C21' C17 N1 C5 18.2(8) . . . . ?
C21' C17 N1 C10 -151.4(7) . . . . ?
C10 C13 C15 C11 0.2(14) . . . . ?
C10 C13' C15' C11 6(2) . . . . ?
C11 C12 C14 C10 2.1(14) . . . . ?
C11 C12' C14' C10 -7.3(15) . . . . ?
C16 C20 C21 C17 1.5(16) . . . . ?
C16 C20' C21' C17 -2.2(15) . . . . ?
C17 C18 C19 C16 -1.1(19) . . . . ?
C17 C18' C19' C16 -1.2(15) . . . . ?
C22 C23 N3 C24 -0.7(8) . . . . ?
C22 C23 N3 Zn2 173.1(5) . . . 11_566 ?
C23 C22 N2 C11 -178.0(6) . . . . ?
C23 C22 N2 C24 0.0(8) . . . . ?
C25 C26 N7 C27 0.7(6) . . . . ?
C25 C26 N7 Zn1 -178.7(4) . . . . ?
C26 C25 N6 C16 -179.2(4) . . . . ?
C26 C25 N6 C27 0.2(6) . . . . ?
C28 C30 C31 C29 1.2(16) . . . . ?
C28 C32 C33 C29 0.0(13) . . . . ?
C28 C30' C31' C29 -1.2(14) . . . . ?
C28 C32' C33' C29 1(2) . . . . ?
C30 C28 C32 C33 4.7(12) . . . . ?
C30 C28 N9 C46 138.0(7) . . . . ?
C30 C28 N9 C48 -46.0(9) . . . . ?
C31 C29 C33 C32 -3.5(12) . . . . ?
C31 C29 N10 C35 -41.1(9) . . . . ?
C31 C29 N10 C41 131.8(7) . . . . ?
C32 C28 C30 C31 -5.2(14) . . . . ?
C32 C28 N9 C46 -36.8(7) . . . . ?
C32 C28 N9 C48 139.2(8) . . . . ?
C33 C29 C31 C30 2.9(14) . . . . ?
C33 C29 N10 C35 134.1(7) . . . . ?
C33 C29 N10 C41 -53.0(8) . . . . ?
C30' C28 C32' C33' -6.2(17) . . . . ?
C30' C28 N9 C46 -132.0(6) . . . . ?
C30' C28 N9 C48 44.0(9) . . . . ?
C31' C29 C33' C32' 4.5(18) . . . . ?
C31' C29 N10 C35 -129.5(7) . . . . ?
C31' C29 N10 C41 43.4(8) . . . . ?
C32' C28 C30' C31' 6.2(13) . . . . ?
C32' C28 N9 C46 41.1(9) . . . . ?
C32' C28 N9 C48 -142.9(9) . . . . ?
C33' C29 C31' C30' -4.1(14) . . . . ?
C33' C29 N10 C35 55.5(10) . . . . ?
C33' C29 N10 C41 -131.6(9) . . . . ?
C34 C36' C37' C35 -1.2(18) . . . . ?
C34 C38 C39 C35 0(3) . . . . ?
C34 C36 C37 C35 3(3) . . . . ?
C34 C38' C39' C35 -2.4(17) . . . . ?
C36' C34 C38 C39 -4(2) . . . . ?
C36' C34 N13 C49 154.5(8) . . . . ?
C36' C34 N13 C51 -33.6(10) . . . . ?
C37' C35 C39 C38 4(2) . . . . ?
C37' C35 N10 C29 -157.5(8) . . . . ?
C37' C35 N10 C41 29.6(10) . . . . ?
C38 C34 C36' C37' 5.0(17) . . . . ?
C38 C34 N13 C49 -34.4(12) . . . . ?
C38 C34 N13 C51 137.5(10) . . . . ?
C39 C35 C37' C36' -3.4(17) . . . . ?
C39 C35 N10 C29 28.7(11) . . . . ?
C39 C35 N10 C41 -144.2(10) . . . . ?
C36 C34 C38' C39' 9.0(17) . . . . ?
C36 C34 N13 C49 -160.3(11) . . . . ?
C36 C34 N13 C51 11.5(13) . . . . ?
C37 C35 C39' C38' -3.7(18) . . . . ?
C37 C35 N10 C29 155.1(11) . . . . ?
C37 C35 N10 C41 -17.8(13) . . . . ?
C38' C34 C36 C37 -10(3) . . . . ?
C38' C34 N13 C49 24.9(10) . . . . ?
C38' C34 N13 C51 -163.2(7) . . . . ?
C39' C35 C37 C36 4(2) . . . . ?
C39' C35 N10 C29 -29.5(10) . . . . ?
C39' C35 N10 C41 157.7(8) . . . . ?
C40 C42 C44 C41 5(3) . . . . ?
C40 C43 C45 C41 -3.0(17) . . . . ?
C40 C42' C44' C41 -6(2) . . . . ?
C41 C45' C43' C40 0.8(15) . . . . ?
C42 C40 C43 C45 3.7(16) . . . . ?
C42 C40 N11 C52 -173.3(10) . . . . ?
C42 C40 N11 C53 4.3(11) . . . . ?
C43 C40 C42 C44 -5(2) . . . . ?
C43 C40 N11 C52 9.7(10) . . . . ?
C43 C40 N11 C53 -172.7(7) . . . . ?
C44 C41 C45 C43 3.2(16) . . . . ?
C44 C41 N10 C29 71.3(11) . . . . ?
C44 C41 N10 C35 -115.6(10) . . . . ?
C45 C41 C44 C42 -4(2) . . . . ?
C45 C41 N10 C29 -111.5(8) . . . . ?
C45 C41 N10 C35 61.6(9) . . . . ?
C45' C41 C44' C42' -3.2(18) . . . . ?
C45' C41 N10 C29 -61.7(8) . . . . ?
C45' C41 N10 C35 111.4(8) . . . . ?
C43' C40 C42' C44' 11.8(17) . . . . ?
C43' C40 N11 C52 -41.9(9) . . . . ?
C43' C40 N11 C53 135.7(7) . . . . ?
C42' C40 C43' C45' -9.2(14) . . . . ?
C42' C40 N11 C52 147.1(9) . . . . ?
C42' C40 N11 C53 -35.3(9) . . . . ?
C44' C41 C45' C43' 5.6(15) . . . . ?
C44' C41 N10 C29 115.8(9) . . . . ?
C44' C41 N10 C35 -71.1(9) . . . . ?
C47 C48 N9 C28 -179.3(6) . . . . ?
C47 C48 N9 C46 -2.6(9) . . . . ?
C48 C47 N8 C46 -0.2(9) . . . . ?
C48 C47 N8 Zn1 169.7(6) . . . . ?
C49 C50 N14 C51 0.7(6) . . . . ?
C49 C50 N14 Zn2 -163.7(4) . . . . ?
C50 C49 N13 C34 172.3(5) . . . . ?
C50 C49 N13 C51 -0.8(6) . . . . ?
C52 C54 N12 C53 0.4(9) . . . . ?
C52 C54 N12 Zn2 -162.9(6) . . . 15_556 ?
C54 C52 N11 C40 180.0(6) . . . . ?
C54 C52 N11 C53 2.0(9) . . . . ?
N1 C5 C8 C7 -179.4(7) . . . . ?
N1 C5 C9 C6 178.6(8) . . . . ?
N1 C5 C8' C7' -175.9(13) . . . . ?
N1 C5 C9' C6' 177.3(7) . . . . ?
N2 C22 C23 N3 0.4(9) . . . . ?
N2 C24 N3 C23 0.7(6) . . . . ?
N2 C24 N3 Zn2 -173.0(3) . . . 11_566 ?
N3 C24 N2 C11 177.6(4) . . . . ?
N3 C24 N2 C22 -0.5(6) . . . . ?
N4 C3 N5 C1 0.6(5) . . . . ?
N4 C3 N5 Zn1 161.1(3) . . . 9_564 ?
N4 C4 C6 C9 -177.9(8) . . . . ?
N4 C4 C7 C8 177.3(7) . . . . ?
N4 C4 C6' C9' -179.5(7) . . . . ?
N4 C4 C7' C8' -179.2(11) . . . . ?
N5 C1 C2 N4 -0.4(8) . . . . ?
N5 C3 N4 C2 -0.9(5) . . . . ?
N5 C3 N4 C4 179.4(4) . . . . ?
N6 C25 C26 N7 -0.6(6) . . . . ?
N6 C27 N7 C26 -0.6(5) . . . . ?
N6 C27 N7 Zn1 178.7(3) . . . . ?
N7 C27 N6 C16 179.7(4) . . . . ?
N7 C27 N6 C25 0.3(5) . . . . ?
N8 C46 N9 C28 179.4(4) . . . . ?
N8 C46 N9 C48 2.6(6) . . . . ?
N8 C47 C48 N9 1.8(11) . . . . ?
N9 C28 C30 C31 -179.7(8) . . . . ?
N9 C28 C32 C33 179.2(7) . . . . ?
N9 C28 C30' C31' 179.6(7) . . . . ?
N9 C28 C32' C33' -179.5(10) . . . . ?
N9 C46 N8 C47 -1.5(6) . . . . ?
N9 C46 N8 Zn1 -171.7(3) . . . . ?
N10 C29 C31 C30 178.5(9) . . . . ?
N10 C29 C33 C32 -179.1(7) . . . . ?
N10 C29 C31' C30' -179.1(8) . . . . ?
N10 C29 C33' C32' 179.4(10) . . . . ?
N10 C35 C37' C36' -177.3(9) . . . . ?
N10 C35 C39 C38 178.0(13) . . . . ?
N10 C35 C37 C36 179.2(15) . . . . ?
N10 C35 C39' C38' -179.2(9) . . . . ?
N10 C41 C44 C42 173.1(13) . . . . ?
N10 C41 C45 C43 -174.3(9) . . . . ?
N10 C41 C45' C43' -177.0(8) . . . . ?
N10 C41 C44' C42' 179.4(10) . . . . ?
N11 C40 C42 C44 178.4(12) . . . . ?
N11 C40 C43 C45 -179.3(9) . . . . ?
N11 C40 C43' C45' 179.5(8) . . . . ?
N11 C40 C42' C44' -176.7(11) . . . . ?
N11 C52 C54 N12 -1.5(10) . . . . ?
N11 C53 N12 C54 0.9(7) . . . . ?
N11 C53 N12 Zn2 164.3(3) . . . 15_556 ?
N12 C53 N11 C40 -179.8(4) . . . . ?
N12 C53 N11 C52 -1.8(7) . . . . ?
N13 C34 C36' C37' 176.2(9) . . . . ?
N13 C34 C38 C39 -175.5(12) . . . . ?
N13 C34 C36 C37 175.5(16) . . . . ?
N13 C34 C38' C39' -176.3(9) . . . . ?
N13 C49 C50 N14 0.1(6) . . . . ?
N13 C51 N14 C50 -1.2(7) . . . . ?
N13 C51 N14 Zn2 164.6(4) . . . . ?
N14 C51 N13 C34 -172.0(5) . . . . ?
N14 C51 N13 C49 1.2(7) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  
;
A solvent mask was calculated and 2372 electrons were 
found in a volume of 9275Å³ in 3 voids per unit cell. 
This is consistent with the presence of 
3[CH3CN], 20[H2O], 3[CH3CN], 20[H2O], 1[CH3CN], 24[H2O] per Formula Unit 
which account for 2382 electrons 
per unit cell.
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 3097 790 '9 CH3CN,60 H2O'
2 0.333 0.667 0.667 3088 791 '9 CH3CN,60 H2O'
3 0.667 0.333 0.333 3090 791 '3 CH3CN,72 H2O'

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_PLAT420_a_a_sq_sq           
;
PROBLEM: D-H Bond Without Acceptor  O1       --H1A      .     Please Check 
RESPONSE: The heavily disordered solvents were removed using the SQUEEZE routine 
of PLATON and there are no suitable acceptors around this H atom.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_94e1_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 2160519'
loop_
_audit_author_name
_audit_author_address
'Yue Zhao'
;Nanjing University
China
;
_audit_update_record             
;
2022-05-16 deposited with the CCDC.	2022-06-06 downloaded from the CCDC.
;
_audit_creation_date             2022-05-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C216 H168 Ag12 N56, 11(N O3), C27 H20 Ag N7, 10[H2O], 2[CH3CN], 10[H2O]'
_chemical_formula_sum            'C247 H234 Ag13 N76 O53'
_chemical_formula_weight         6517.40
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag 0.0782 3.3823 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           48
_space_group_name_H-M_alt        'P n n n'
_space_group_name_Hall           '-P 2ab 2bc'
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                   15.2129(7)
_cell_length_b                   27.1725(12)
_cell_length_c                   34.1250(15)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     14106.3(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    193.00
_cell_measurement_reflns_used    9855
_cell_measurement_theta_min      2.77
_cell_measurement_theta_max      50.12
_shelx_estimated_absorpt_T_max   0.621
_shelx_estimated_absorpt_T_min   0.547
_exptl_absorpt_coefficient_mu    5.274
_exptl_absorpt_correction_T_max  0.3100
_exptl_absorpt_correction_T_min  0.1954
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6566
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0508
_diffrn_reflns_av_unetI/netI     0.0236
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            153223
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        52.985
_diffrn_reflns_theta_max         52.985
_diffrn_reflns_theta_min         1.808
_diffrn_ambient_temperature      193.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON II'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE Metaljet PHOTON II'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   MetalJet
_diffrn_source_type              'Liquid Metal source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8973
_reflns_number_total             12455
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
SAINT V8.40B (Bruker, 2019)
;
_computing_data_collection       'APEX3 V2019.11-0 (Bruker, 2019)'
_computing_data_reduction        
;
SAINT V8.40B (Bruker, 2019)
;
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.800
_refine_diff_density_min         -0.894
_refine_diff_density_rms         0.115
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1018
_refine_ls_number_reflns         12455
_refine_ls_number_restraints     276
_refine_ls_R_factor_all          0.0907
_refine_ls_R_factor_gt           0.0702
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1537P)²+21.6811P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2279
_refine_ls_wR_factor_ref         0.2490
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
C2B_2 \\sim C2A \\sim C3A \\sim C3B_2: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
N1_9 \\sim N2_9 \\sim C1_9 \\sim C2_9 \\sim C3_9 \\sim C4_9 \\sim C5_9 \\sim
C6_9 \\sim C7_9 \\sim C8_9 \\sim C9_9 \\sim C19_9 \\sim C20_9 \\sim C21_9 \\sim
C22_9 \\sim C23_9 \\sim C24_9 \\sim C25_9 \\sim N6_9 \\sim N3_9 \\sim C26_9
\\sim C27_9 \\sim N7_9: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
O1_7 \\sim N1_7 \\sim O2_7 \\sim O3_7: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
O2_4 \\sim N1_4 \\sim O1_4 \\sim O3_4: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
O2_3 \\sim N1_3 \\sim O1_3 \\sim O3_3: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
O3_10 \\sim N1_10 \\sim O1_10 \\sim O2_10: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
3. Rigid body (RIGU) restrains
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(Ag4A)=1-FVAR(1)
 Sof(Ag4)=FVAR(1)
 Sof(C3B)=Sof(H3B)=Sof(C2B)=Sof(H2B)=1-FVAR(2)
 Sof(C2A)=Sof(H2A)=Sof(C3A)=Sof(H3A)=FVAR(2)
 Fixed Sof: N1(0.5) O1(0.5) O2(0.5) O3(0.5) N1(0.75) O1(0.75) O2(0.75)
 O3(0.75) N1(0.5) O1(0.5) O2(0.5) O3(0.5) N1(0.5) O1(0.5) O2(0.5) O3(0.5)
 Ag1(0.25) N1(0.5) N2(0.5) C1(0.5) H1(0.5) C2(0.5) H2(0.5) C3(0.5) H3(0.5)
 C4(0.5) C5(0.5) H5(0.5) C6(0.5) H6(0.5) C7(0.5) C8(0.5) H8(0.5) C9(0.5)
 H9(0.5) C19(0.25) C20(0.25) H20(0.25) C21(0.25) H21(0.25) C22(0.25) C23(0.25)
 H23(0.25) C24(0.25) H24(0.25) C25(0.25) C26(0.25) H26(0.25) C27(0.25)
 H27(0.25) N6(0.25) N7(0.25) N3(0.25) N1(0.5) O1(0.5) O2(0.5) O3(0.5)
 Fixed X: N3(0.75)
 Fixed Y: N3(0.75)
 Fixed Z: N3(0.154901)
5.a Free rotating group:
 C19(C20,H20,C21,H21,C22,C23,H23,C24,H24,C25,C26,H26,C27,H27,N6,N7)
5.b Aromatic/amide H refined with riding coordinates:
 C2A(H2A), C3A(H3A), C1(H1), C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9),
 C11(H11), C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20),
  C21(H21), C23(H23), C24(H24), C25(H25), C26(H26), C27(H27), C1(H1), C2(H2),
 C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C8(H8), C20(H20), C15(H15), C21(H21),
 C12(H12), C11(H11), C1(H1), C14(H14), C9(H9), C5(H5), C23(H23), C16(H16),
 C24(H24), C6(H6), C25(H25), C17(H17), C18(H18), C3B(H3B), C26(H26), C2B(H2B),
 C27(H27)
5.c Fitted hexagon refined as free rotating group:
 C4(C5,C6,C7,C8,C9)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag2 Ag 0.99829(4) 0.69256(2) -0.06240(2) 0.0840(2) Uani 1 1 d . . . . .
Ag3 Ag 0.50155(3) 0.45526(3) 0.24862(2) 0.0877(2) Uani 1 1 d . . . . .
Ag4 Ag 0.01003(17) 0.19775(11) 0.56660(3) 0.0894(7) Uani 0.795(10) 1 d . . P A
1
Ag4A Ag 0.0487(11) 0.2178(4) 0.5713(2) 0.119(3) Uani 0.205(10) 1 d . . P A 2
C2A C 0.3995(10) 0.5452(5) 0.2906(5) 0.087(3) Uani 0.602(15) 1 d . U P B 1
H2A H 0.445292 0.568732 0.288008 0.104 Uiso 0.602(15) 1 calc R U P B 1
C3A C 0.3263(9) 0.5509(5) 0.3100(5) 0.085(3) Uani 0.602(15) 1 d . U P B 1
H3A H 0.310264 0.579104 0.324822 0.102 Uiso 0.602(15) 1 calc R U P B 1
N1_3 N 0.3294(9) 0.3459(5) 0.2464(3) 0.081(3) Uani 0.5 1 d . U P C -1
O1_3 O 0.2705(7) 0.3749(3) 0.2522(5) 0.064(3) Uani 0.5 1 d . U P C -1
O2_3 O 0.4043(5) 0.3572(3) 0.2420(2) 0.073(2) Uani 0.5 1 d . U P C -1
O3_3 O 0.3128(8) 0.2989(4) 0.2481(3) 0.099(3) Uani 0.5 1 d . U P C -1
N1_4 N 0.7452(8) 0.5558(6) -0.0031(3) 0.126(4) Uani 0.75 1 d . U P D 1
O1_4 O 0.7056(6) 0.5951(5) -0.0034(3) 0.172(5) Uani 0.75 1 d . U P D 1
O2_4 O 0.8169(4) 0.5551(4) 0.00239(18) 0.119(3) Uani 0.75 1 d . U P D 1
O3_4 O 0.6927(7) 0.5162(6) -0.0070(3) 0.150(4) Uani 0.75 1 d . U P D 1
N1_5 N 0.759(4) 0.253(2) 0.1157(4) 0.087(12) Uani 0.5 1 d . . P E -1
O1_5 O 0.798(2) 0.2790(10) 0.0939(9) 0.096(8) Uani 0.5 1 d . . P E -1
O2_5 O 0.7800(10) 0.2491(8) 0.1496(3) 0.113(7) Uani 0.5 1 d . . P E -1
O3_5 O 0.697(2) 0.2269(10) 0.0998(9) 0.105(11) Uani 0.5 1 d . . P E -1
N1_7 N 0.6673(15) 0.5565(6) 0.2518(4) 0.107(4) Uani 0.5 1 d . U P F -1
O1_7 O 0.7250(11) 0.5322(5) 0.2517(6) 0.117(5) Uani 0.5 1 d . U P F -1
O2_7 O 0.5975(8) 0.5475(4) 0.2543(3) 0.093(3) Uani 0.5 1 d . U P F -1
O3_7 O 0.6997(10) 0.6025(5) 0.2490(4) 0.132(4) Uani 0.5 1 d . U P F -1
N1_8 N 0.6027(3) 0.4130(2) 0.22367(15) 0.0720(14) Uani 1 1 d . . . . .
N2_8 N 0.7287(3) 0.39622(17) 0.19552(12) 0.0545(10) Uani 1 1 d . . . . .
N3_8 N 1.0566(3) 0.42829(16) 0.12385(13) 0.0554(11) Uani 1 1 d . . . . .
N4_8 N 1.0899(3) 0.57952(18) 0.01294(13) 0.0619(12) Uani 1 1 d . . . . .
C1_8 C 0.6782(4) 0.4309(2) 0.21202(16) 0.0635(14) Uani 1 1 d . . . . .
H1_8 H 0.695124 0.464396 0.214917 0.076 Uiso 1 1 calc R U . . .
C2_8 C 0.6040(5) 0.3641(3) 0.2134(2) 0.092(2) Uani 1 1 d . . . . .
H2_8 H 0.557618 0.341463 0.217921 0.110 Uiso 1 1 calc R U . . .
C3_8 C 0.6819(5) 0.3531(3) 0.1958(2) 0.089(2) Uani 1 1 d . . . . .
H3_8 H 0.700009 0.322043 0.185869 0.107 Uiso 1 1 calc R U . . .
C4_8 C 0.8141(3) 0.40373(19) 0.17868(14) 0.0500(11) Uani 1 1 d . . . . .
C5_8 C 0.8594(4) 0.3648(2) 0.16306(17) 0.0637(15) Uani 1 1 d . . . . .
H5_8 H 0.835049 0.332660 0.163961 0.076 Uiso 1 1 calc R U . . .
C6_8 C 0.9410(4) 0.3725(2) 0.14592(18) 0.0650(15) Uani 1 1 d . . . . .
H6_8 H 0.972925 0.345277 0.135837 0.078 Uiso 1 1 calc R U . . .
C7_8 C 0.9765(3) 0.4192(2) 0.14328(15) 0.0497(12) Uani 1 1 d . . . . .
C8_8 C 0.9308(4) 0.4577(2) 0.15974(16) 0.0569(13) Uani 1 1 d . . . . .
H8_8 H 0.955598 0.489764 0.159143 0.068 Uiso 1 1 calc R U . . .
C9_8 C 0.8502(4) 0.4507(2) 0.17703(17) 0.0602(14) Uani 1 1 d . . . . .
H9_8 H 0.819168 0.477922 0.187792 0.072 Uiso 1 1 calc R U . . .
C10_8 C 1.0618(4) 0.46923(19) 0.09825(15) 0.0538(12) Uani 1 1 d . . . . .
C11_8 C 1.1384(4) 0.4967(2) 0.09587(17) 0.0635(15) Uani 1 1 d . . . . .
H11_8 H 1.185752 0.489875 0.113196 0.076 Uiso 1 1 calc R U . . .
C12_8 C 1.1466(4) 0.5342(2) 0.06838(16) 0.0619(14) Uani 1 1 d . . . . .
H12_8 H 1.199511 0.552594 0.066611 0.074 Uiso 1 1 calc R U . . .
C13_8 C 1.0773(4) 0.5443(2) 0.04374(15) 0.0551(12) Uani 1 1 d . . . . .
C14_8 C 0.9993(3) 0.5188(2) 0.04677(17) 0.0566(13) Uani 1 1 d . . . . .
H14_8 H 0.951193 0.527011 0.030299 0.068 Uiso 1 1 calc R U . . .
C15_8 C 0.9913(3) 0.4816(2) 0.07352(16) 0.0548(13) Uani 1 1 d . . . . .
H15_8 H 0.937606 0.463893 0.075394 0.066 Uiso 1 1 calc R U . . .
C16_8 C 1.1650(4) 0.5863(3) -0.00896(19) 0.0711(17) Uani 1 1 d . . . . .
H16_8 H 1.218727 0.568853 -0.006201 0.085 Uiso 1 1 calc R U . . .
C17_8 C 1.1479(4) 0.6223(3) -0.0350(2) 0.0757(17) Uani 1 1 d . . . . .
H17_8 H 1.188450 0.635439 -0.053454 0.091 Uiso 1 1 calc R U . . .
C18_8 C 1.0288(4) 0.6110(2) -0.00122(17) 0.0630(14) Uani 1 1 d . . . . .
H18_8 H 0.970621 0.613820 0.008614 0.076 Uiso 1 1 calc R U . . .
C19_8 C 1.1255(3) 0.39255(19) 0.12304(14) 0.0491(11) Uani 1 1 d . . . . .
C20_8 C 1.1758(3) 0.3859(2) 0.08917(16) 0.0552(12) Uani 1 1 d . . . . .
H20_8 H 1.160434 0.402919 0.065855 0.066 Uiso 1 1 calc R U . . .
C21_8 C 1.2469(4) 0.3550(2) 0.08918(16) 0.0571(13) Uani 1 1 d . . . . .
H21_8 H 1.282343 0.351999 0.066391 0.068 Uiso 1 1 calc R U . . .
C22_8 C 1.2670(3) 0.32831(19) 0.12256(15) 0.0514(12) Uani 1 1 d . . . . .
C23_8 C 1.2155(4) 0.3318(2) 0.15527(15) 0.0561(13) Uani 1 1 d . . . . .
H23_8 H 1.228251 0.312165 0.177614 0.067 Uiso 1 1 calc R U . . .
C24_8 C 1.1447(4) 0.3639(2) 0.15582(16) 0.0567(13) Uani 1 1 d . . . . .
H24_8 H 1.109210 0.366432 0.178629 0.068 Uiso 1 1 calc R U . . .
C25_8 C 1.3675(4) 0.2684(2) 0.09148(18) 0.0614(14) Uani 1 1 d . . . . .
H25_8 H 1.335626 0.265107 0.067674 0.074 Uiso 1 1 calc R U . . .
C26_8 C 1.4036(4) 0.2911(2) 0.15028(19) 0.0696(16) Uani 1 1 d . . . . .
H26_8 H 1.403530 0.306257 0.175373 0.084 Uiso 1 1 calc R U . . .
C27_8 C 1.4653(5) 0.2599(2) 0.1358(2) 0.0724(16) Uani 1 1 d . . . . .
H27_8 H 1.516600 0.249357 0.149244 0.087 Uiso 1 1 calc R U . . .
N5_8 N 1.0606(4) 0.63701(18) -0.03037(15) 0.0700(13) Uani 1 1 d . . . . .
N6_8 N 1.3425(3) 0.29631(15) 0.12200(13) 0.0542(10) Uani 1 1 d . . . . .
N7_8 N 1.4424(3) 0.24623(17) 0.09928(15) 0.0652(12) Uani 1 1 d . . . . .
Ag1_9 Ag 0.500000 0.500000 0.000000 0.1026(7) Uani 0.5 2 d S . P . .
N1_9 N 0.4786(8) 0.5584(5) 0.0370(3) 0.086(3) Uani 0.5 1 d . U P G .
N2_9 N 0.5173(9) 0.6240(5) 0.0719(4) 0.086(3) Uani 0.5 1 d . U P . .
C1_9 C 0.5437(10) 0.5846(6) 0.0536(4) 0.079(3) Uani 0.5 1 d . U P G .
H1_9 H 0.603749 0.575183 0.052189 0.095 Uiso 0.5 1 calc R U P . .
C2_9 C 0.4051(11) 0.5876(7) 0.0465(5) 0.096(3) Uani 0.5 1 d . U P . .
H2_9 H 0.346880 0.580348 0.038284 0.115 Uiso 0.5 1 calc R U P G .
C3_9 C 0.4252(11) 0.6248(7) 0.0674(5) 0.093(3) Uani 0.5 1 d . U P G .
H3_9 H 0.385801 0.648471 0.077881 0.111 Uiso 0.5 1 calc R U P . .
C4_9 C 0.5761(7) 0.6577(3) 0.0943(3) 0.074(3) Uani 0.5 1 d G U P G -1
C5_9 C 0.5487(6) 0.6789(4) 0.1293(3) 0.108(4) Uani 0.5 1 d G U P G -1
H5_9 H 0.492146 0.671559 0.139524 0.130 Uiso 0.5 1 calc R U P G -1
C6_9 C 0.6041(8) 0.7109(4) 0.1493(3) 0.122(4) Uani 0.5 1 d G U P G -1
H6_9 H 0.585352 0.725430 0.173220 0.147 Uiso 0.5 1 calc R U P G -1
C7_9 C 0.6868(8) 0.7217(4) 0.1343(3) 0.113(4) Uani 0.5 1 d G U P G -1
C8_9 C 0.7142(6) 0.7005(4) 0.0993(3) 0.097(3) Uani 0.5 1 d G U P G -1
H8_9 H 0.770737 0.707910 0.089069 0.117 Uiso 0.5 1 calc R U P G -1
C9_9 C 0.6588(7) 0.6685(3) 0.0793(2) 0.081(3) Uani 0.5 1 d G U P G -1
H9_9 H 0.677530 0.654039 0.055372 0.097 Uiso 0.5 1 calc R U P G -1
C19_9 C 0.737(2) 0.7506(16) 0.1971(4) 0.130(6) Uani 0.25 1 d G U P G -1
C20_9 C 0.734(2) 0.7963(14) 0.2159(5) 0.140(7) Uani 0.25 1 d G U P G -1
H20_9 H 0.740523 0.824737 0.201006 0.168 Uiso 0.25 1 d G U P G -1
C21_9 C 0.721(2) 0.8005(10) 0.2548(5) 0.147(7) Uani 0.25 1 d G U P G -1
H21_9 H 0.716716 0.831398 0.266424 0.176 Uiso 0.25 1 d G U P G -1
C22_9 C 0.7151(10) 0.7577(8) 0.2776(4) 0.152(7) Uani 0.25 1 d G U P G -1
C23_9 C 0.723(2) 0.7117(10) 0.2606(5) 0.145(7) Uani 0.25 1 d G U P G -1
H23_9 H 0.719907 0.683459 0.275984 0.174 Uiso 0.25 1 d G U P G -1
C24_9 C 0.734(2) 0.7081(14) 0.2197(5) 0.139(7) Uani 0.25 1 d G U P G -1
H24_9 H 0.740265 0.677457 0.207815 0.166 Uiso 0.25 1 d G U P G -1
C25_9 C 0.7394(18) 0.7949(9) 0.3417(5) 0.174(8) Uani 0.25 1 d G U P G -1
C26_9 C 0.6445(18) 0.7354(9) 0.3414(5) 0.176(8) Uani 0.25 1 d G U P G -1
H26_9 H 0.592329 0.715880 0.334953 0.212 Uiso 0.25 1 d G U P G -1
C27_9 C 0.651(2) 0.7532(10) 0.3783(5) 0.180(8) Uani 0.25 1 d G U P G -1
H27_9 H 0.622514 0.740911 0.400234 0.216 Uiso 0.25 1 d G U P G -1
N6_9 N 0.7025(12) 0.7614(7) 0.3195(4) 0.167(7) Uani 0.25 1 d G U P G -1
N7_9 N 0.707(2) 0.7912(10) 0.3780(5) 0.180(8) Uani 0.25 1 d G U P G -1
N3_9 N 0.750000 0.750000 0.154901 0.120(5) Uani 0.5 2 d S TU P . .
N1_10 N 0.7871(12) 0.7155(10) 0.0033(4) 0.125(5) Uani 0.5 1 d . U P H -1
O1_10 O 0.7090(12) 0.6983(9) 0.0039(5) 0.161(6) Uani 0.5 1 d . U P H -1
O2_10 O 0.7947(11) 0.7626(8) -0.0051(5) 0.129(5) Uani 0.5 1 d . U P H -1
O3_10 O 0.8510(5) 0.6811(4) 0.0044(2) 0.078(3) Uani 0.5 1 d . U P H -1
C4_2 C 0.1922(4) 0.4973(2) 0.32374(16) 0.0592(14) Uani 1 1 d . . . . .
C8_2 C 0.0818(4) 0.4394(2) 0.34169(16) 0.0602(14) Uani 1 1 d . . . . .
H8_2 H 0.059729 0.406714 0.341292 0.072 Uiso 1 1 calc R U . . .
C10_2 C -0.0480(4) 0.4214(2) 0.40388(16) 0.0601(14) Uani 1 1 d . . . . .
C13_2 C -0.0586(4) 0.3416(2) 0.45353(16) 0.0584(13) Uani 1 1 d . . . . .
C20_2 C -0.1796(4) 0.4961(2) 0.40885(17) 0.0628(14) Uani 1 1 d . . . . .
H20_2 H -0.171008 0.475221 0.430859 0.075 Uiso 1 1 calc R U . . .
C15_2 C 0.0182(4) 0.4121(2) 0.43095(17) 0.0608(14) Uani 1 1 d . . . . .
H15_2 H 0.067323 0.433570 0.432611 0.073 Uiso 1 1 calc R U . . .
C21_2 C -0.2520(4) 0.5265(2) 0.40774(18) 0.0672(16) Uani 1 1 d . . . . .
H21_2 H -0.293963 0.525686 0.428351 0.081 Uiso 1 1 calc R U . . .
C12_2 C -0.1238(4) 0.3496(2) 0.42551(17) 0.0637(14) Uani 1 1 d . . . . .
H12_2 H -0.172084 0.327624 0.423528 0.076 Uiso 1 1 calc R U . . .
C11_2 C -0.1180(4) 0.3886(2) 0.40130(18) 0.0652(15) Uani 1 1 d . . . . .
H11_2 H -0.162415 0.393720 0.382152 0.078 Uiso 1 1 calc R U . . .
C19_2 C -0.1187(4) 0.4953(2) 0.37824(16) 0.0575(13) Uani 1 1 d . . . . .
C7_2 C 0.0347(4) 0.4763(2) 0.36100(16) 0.0592(13) Uani 1 1 d . . . . .
C1_2 C 0.3275(4) 0.4755(2) 0.28838(17) 0.0662(15) Uani 1 1 d . . . . .
H1_2 H 0.315488 0.441278 0.287014 0.079 Uiso 1 1 calc R U . . .
C14_2 C 0.0127(4) 0.3719(2) 0.45533(18) 0.0643(15) Uani 1 1 d . . . . .
H14_2 H 0.058608 0.365316 0.473447 0.077 Uiso 1 1 calc R U . . .
C22_2 C -0.2634(4) 0.5584(2) 0.37641(19) 0.0688(16) Uani 1 1 d . . . . .
C9_2 C 0.1592(4) 0.4500(2) 0.32344(18) 0.0650(15) Uani 1 1 d . . . . .
H9_2 H 0.190733 0.424631 0.310412 0.078 Uiso 1 1 calc R U . . .
C5_2 C 0.1477(4) 0.5344(2) 0.3422(2) 0.0743(18) Uani 1 1 d . . . . .
H5_2 H 0.169926 0.567044 0.342126 0.089 Uiso 1 1 calc R U . . .
C23_2 C -0.2037(4) 0.5587(2) 0.34610(19) 0.0725(16) Uani 1 1 d . . . . .
H23_2 H -0.212024 0.580285 0.324535 0.087 Uiso 1 1 calc R U . . .
C16_2 C -0.0108(5) 0.2810(3) 0.50385(19) 0.0729(18) Uani 1 1 d . . . . .
H16_2 H 0.050303 0.287903 0.502579 0.088 Uiso 1 1 calc R U . . .
C24_2 C -0.1314(4) 0.5276(2) 0.34682(17) 0.0668(15) Uani 1 1 d . . . . .
H24_2 H -0.090232 0.528264 0.325887 0.080 Uiso 1 1 calc R U . . .
C6_2 C 0.0677(4) 0.5231(2) 0.3613(2) 0.0719(17) Uani 1 1 d . . . . .
H6_2 H 0.036558 0.548349 0.374589 0.086 Uiso 1 1 calc R U . . .
C25_2 C -0.3657(5) 0.6169(3) 0.4072(2) 0.0802(19) Uani 1 1 d . . . . .
H25_2 H -0.340628 0.615399 0.432661 0.096 Uiso 1 1 calc R U . . .
C17_2 C -0.1487(5) 0.2816(3) 0.4917(3) 0.104(3) Uani 1 1 d . . . . .
H17_2 H -0.204790 0.288427 0.480633 0.125 Uiso 1 1 calc R U . . .
C18_2 C -0.1305(6) 0.2502(3) 0.5197(3) 0.102(3) Uani 1 1 d . . . . .
H18_2 H -0.172978 0.230463 0.532735 0.123 Uiso 1 1 calc R U . . .
C3B_2 C 0.2963(14) 0.5513(8) 0.2864(8) 0.084(4) Uani 0.398(15) 1 d . U P B 2
H3B_2 H 0.263214 0.580902 0.286003 0.100 Uiso 0.398(15) 1 calc R U P B 2
C26_2 C -0.3903(7) 0.6008(4) 0.3462(3) 0.124(4) Uani 1 1 d . . . . .
H26_2 H -0.387201 0.587225 0.320611 0.149 Uiso 1 1 calc R U . . .
C2B_2 C 0.3722(15) 0.5431(9) 0.2690(8) 0.084(4) Uani 0.398(15) 1 d . U P B 2
H2B_2 H 0.404444 0.567219 0.254823 0.101 Uiso 0.398(15) 1 calc R U P B 2
C27_2 C -0.4494(8) 0.6345(5) 0.3596(3) 0.153(5) Uani 1 1 d . . . . .
H27_2 H -0.495489 0.648441 0.344468 0.183 Uiso 1 1 calc R U . . .
N1_2 N 0.3982(3) 0.4962(2) 0.27391(16) 0.0773(15) Uani 1 1 d . . . . .
N2_2 N 0.2748(3) 0.50810(19) 0.30513(15) 0.0682(13) Uani 1 1 d . . . . .
N3_2 N -0.0460(3) 0.46390(18) 0.37961(14) 0.0626(12) Uani 1 1 d . . . . .
N5_2 N -0.0707(3) 0.30237(18) 0.48172(14) 0.0652(12) Uani 1 1 d . . . . .
N4_2 N -0.0456(4) 0.2494(2) 0.52744(18) 0.0823(16) Uani 1 1 d . . . . .
N6_2 N -0.3386(4) 0.5908(2) 0.37596(16) 0.0775(15) Uani 1 1 d . . . . .
N7_2 N -0.4331(5) 0.6451(3) 0.39686(19) 0.100(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
Ag2 N5_8 2.091(5) . ?
Ag2 N7_8 2.106(5) 6_565 ?
Ag3 N1_8 2.101(5) . ?
Ag3 N1_2 2.110(5) . ?
Ag4 N4_2 2.114(6) . ?
Ag4 N7_2 2.086(6) 6_656 ?
Ag4A N4_2 2.242(13) . ?
Ag4A N7_2 2.273(9) 6_656 ?
C2A H2A 0.9500 . ?
C2A C3A 1.305(16) . ?
C2A N1_2 1.448(16) . ?
C3A H3A 0.9500 . ?
C3A N2_2 1.412(14) . ?
N1_3 O1_3 1.208(17) . ?
N1_3 O2_3 1.189(14) . ?
N1_3 O3_3 1.304(15) . ?
N1_4 O1_4 1.226(16) . ?
N1_4 O2_4 1.106(12) . ?
N1_4 O3_4 1.346(18) . ?
N1_5 O1_5 1.19(6) . ?
N1_5 O2_5 1.21(3) . ?
N1_5 O3_5 1.30(8) . ?
N1_7 O1_7 1.10(2) . ?
N1_7 O2_7 1.09(2) . ?
N1_7 O3_7 1.34(2) . ?
N1_8 C1_8 1.310(7) . ?
N1_8 C2_8 1.372(9) . ?
N2_8 C1_8 1.340(7) . ?
N2_8 C3_8 1.371(8) . ?
N2_8 C4_8 1.435(6) . ?
N3_8 C7_8 1.408(6) . ?
N3_8 C10_8 1.417(7) . ?
N3_8 C19_8 1.429(6) . ?
N4_8 C13_8 1.435(7) . ?
N4_8 C16_8 1.377(8) . ?
N4_8 C18_8 1.352(7) . ?
C1_8 H1_8 0.9500 . ?
C2_8 H2_8 0.9500 . ?
C2_8 C3_8 1.362(10) . ?
C3_8 H3_8 0.9500 . ?
C4_8 C5_8 1.370(7) . ?
C4_8 C9_8 1.391(8) . ?
C5_8 H5_8 0.9500 . ?
C5_8 C6_8 1.388(8) . ?
C6_8 H6_8 0.9500 . ?
C6_8 C7_8 1.381(8) . ?
C7_8 C8_8 1.376(7) . ?
C8_8 H8_8 0.9500 . ?
C8_8 C9_8 1.375(8) . ?
C9_8 H9_8 0.9500 . ?
C10_8 C11_8 1.387(8) . ?
C10_8 C15_8 1.405(8) . ?
C11_8 H11_8 0.9500 . ?
C11_8 C12_8 1.390(8) . ?
C12_8 H12_8 0.9500 . ?
C12_8 C13_8 1.377(8) . ?
C13_8 C14_8 1.378(8) . ?
C14_8 H14_8 0.9500 . ?
C14_8 C15_8 1.368(9) . ?
C15_8 H15_8 0.9500 . ?
C16_8 H16_8 0.9500 . ?
C16_8 C17_8 1.347(9) . ?
C17_8 H17_8 0.9500 . ?
C17_8 N5_8 1.397(8) . ?
C18_8 H18_8 0.9500 . ?
C18_8 N5_8 1.313(8) . ?
C19_8 C20_8 1.398(7) . ?
C19_8 C24_8 1.394(7) . ?
C20_8 H20_8 0.9500 . ?
C20_8 C21_8 1.368(7) . ?
C21_8 H21_8 0.9500 . ?
C21_8 C22_8 1.385(7) . ?
C22_8 C23_8 1.367(7) . ?
C22_8 N6_8 1.441(7) . ?
C23_8 H23_8 0.9500 . ?
C23_8 C24_8 1.387(8) . ?
C24_8 H24_8 0.9500 . ?
C25_8 H25_8 0.9500 . ?
C25_8 N6_8 1.344(7) . ?
C25_8 N7_8 1.316(8) . ?
C26_8 H26_8 0.9500 . ?
C26_8 C27_8 1.359(9) . ?
C26_8 N6_8 1.347(7) . ?
C27_8 H27_8 0.9500 . ?
C27_8 N7_8 1.345(8) . ?
Ag1_9 N1_9 2.053(15) 5_665 ?
Ag1_9 N1_9 2.054(15) . ?
N1_9 C1_9 1.35(2) . ?
N1_9 C2_9 1.41(2) . ?
N2_9 C1_9 1.303(19) . ?
N2_9 C3_9 1.41(2) . ?
N2_9 C4_9 1.491(17) . ?
C1_9 H1_9 0.9500 . ?
C2_9 H2_9 0.9500 . ?
C2_9 C3_9 1.27(2) . ?
C3_9 H3_9 0.9500 . ?
C4_9 C5_9 1.3900 . ?
C4_9 C9_9 1.3900 . ?
C5_9 H5_9 0.9500 . ?
C5_9 C6_9 1.3900 . ?
C6_9 H6_9 0.9500 . ?
C6_9 C7_9 1.3900 . ?
C7_9 C8_9 1.3900 . ?
C7_9 N3_9 1.417(8) . ?
C8_9 H8_9 0.9500 . ?
C8_9 C9_9 1.3900 . ?
C9_9 H9_9 0.9500 . ?
C19_9 C20_9 1.3981 . ?
C19_9 C24_9 1.3892 . ?
C19_9 N3_9 1.454(13) . ?
C20_9 H20_9 0.9305 . ?
C20_9 C21_9 1.3474 . ?
C21_9 H21_9 0.9300 . ?
C21_9 C22_9 1.4020 . ?
C22_9 C23_9 1.3832 . ?
C22_9 N6_9 1.4448 . ?
C23_9 H23_9 0.9299 . ?
C23_9 C24_9 1.4127 . ?
C24_9 H24_9 0.9302 . ?
C25_9 N6_9 1.3110 . ?
C25_9 N7_9 1.3387 . ?
C26_9 H26_9 0.9798 . ?
C26_9 C27_9 1.3526 . ?
C26_9 N6_9 1.3562 . ?
C27_9 H27_9 0.9299 . ?
C27_9 N7_9 1.3326 . ?
N1_10 O1_10 1.28(2) . ?
N1_10 O2_10 1.32(2) . ?
N1_10 O3_10 1.35(2) . ?
C4_2 C9_2 1.380(8) . ?
C4_2 C5_2 1.367(8) . ?
C4_2 N2_2 1.438(7) . ?
C8_2 H8_2 0.9500 . ?
C8_2 C7_2 1.397(8) . ?
C8_2 C9_2 1.363(8) . ?
C10_2 C15_2 1.390(8) . ?
C10_2 C11_2 1.392(8) . ?
C10_2 N3_2 1.422(7) . ?
C13_2 C12_2 1.394(8) . ?
C13_2 C14_2 1.363(8) . ?
C13_2 N5_2 1.448(8) . ?
C20_2 H20_2 0.9500 . ?
C20_2 C21_2 1.378(8) . ?
C20_2 C19_2 1.397(7) . ?
C15_2 H15_2 0.9500 . ?
C15_2 C14_2 1.375(9) . ?
C21_2 H21_2 0.9500 . ?
C21_2 C22_2 1.387(9) . ?
C12_2 H12_2 0.9500 . ?
C12_2 C11_2 1.345(9) . ?
C11_2 H11_2 0.9500 . ?
C19_2 C24_2 1.399(8) . ?
C19_2 N3_2 1.398(7) . ?
C7_2 C6_2 1.367(9) . ?
C7_2 N3_2 1.422(7) . ?
C1_2 H1_2 0.9500 . ?
C1_2 N1_2 1.309(8) . ?
C1_2 N2_2 1.324(7) . ?
C14_2 H14_2 0.9500 . ?
C22_2 C23_2 1.377(8) . ?
C22_2 N6_2 1.442(8) . ?
C9_2 H9_2 0.9500 . ?
C5_2 H5_2 0.9500 . ?
C5_2 C6_2 1.414(8) . ?
C23_2 H23_2 0.9500 . ?
C23_2 C24_2 1.386(8) . ?
C16_2 H16_2 0.9500 . ?
C16_2 N5_2 1.318(8) . ?
C16_2 N4_2 1.290(9) . ?
C24_2 H24_2 0.9500 . ?
C6_2 H6_2 0.9500 . ?
C25_2 H25_2 0.9500 . ?
C25_2 N6_2 1.346(8) . ?
C25_2 N7_2 1.327(9) . ?
C17_2 H17_2 0.9500 . ?
C17_2 C18_2 1.313(10) . ?
C17_2 N5_2 1.358(9) . ?
C18_2 H18_2 0.9500 . ?
C18_2 N4_2 1.318(10) . ?
C3B_2 H3B_2 0.9500 . ?
C3B_2 C2B_2 1.32(2) . ?
C3B_2 N2_2 1.38(2) . ?
C26_2 H26_2 0.9500 . ?
C26_2 C27_2 1.363(12) . ?
C26_2 N6_2 1.312(10) . ?
C2B_2 H2B_2 0.9500 . ?
C2B_2 N1_2 1.35(2) . ?
C27_2 H27_2 0.9500 . ?
C27_2 N7_2 1.326(11) . ?

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_8 Ag2 N7_8 174.6(2) . 6_565 ?
N1_8 Ag3 N1_2 178.6(2) . . ?
N7_2 Ag4 N4_2 177.5(3) 6_656 . ?
N4_2 Ag4A N7_2 136.9(10) . 6_656 ?
C3A C2A H2A 126.4 . . ?
C3A C2A N1_2 107.3(11) . . ?
N1_2 C2A H2A 126.4 . . ?
C2A C3A H3A 125.8 . . ?
C2A C3A N2_2 108.4(11) . . ?
N2_2 C3A H3A 125.8 . . ?
O1_3 N1_3 O3_3 119.2(13) . . ?
O2_3 N1_3 O1_3 124.3(12) . . ?
O2_3 N1_3 O3_3 116.2(14) . . ?
O1_4 N1_4 O3_4 113.8(12) . . ?
O2_4 N1_4 O1_4 120.1(18) . . ?
O2_4 N1_4 O3_4 126.0(16) . . ?
O1_5 N1_5 O2_5 121(6) . . ?
O1_5 N1_5 O3_5 115(2) . . ?
O2_5 N1_5 O3_5 123(5) . . ?
O1_7 N1_7 O3_7 105(2) . . ?
O2_7 N1_7 O1_7 130(2) . . ?
O2_7 N1_7 O3_7 125(2) . . ?
C1_8 N1_8 Ag3 124.1(5) . . ?
C1_8 N1_8 C2_8 105.7(5) . . ?
C2_8 N1_8 Ag3 130.0(4) . . ?
C1_8 N2_8 C3_8 107.5(5) . . ?
C1_8 N2_8 C4_8 125.9(5) . . ?
C3_8 N2_8 C4_8 126.5(5) . . ?
C7_8 N3_8 C10_8 118.5(4) . . ?
C7_8 N3_8 C19_8 121.6(4) . . ?
C10_8 N3_8 C19_8 118.7(4) . . ?
C16_8 N4_8 C13_8 126.7(5) . . ?
C18_8 N4_8 C13_8 126.3(5) . . ?
C18_8 N4_8 C16_8 107.0(5) . . ?
N1_8 C1_8 N2_8 111.5(6) . . ?
N1_8 C1_8 H1_8 124.2 . . ?
N2_8 C1_8 H1_8 124.2 . . ?
N1_8 C2_8 H2_8 125.1 . . ?
C3_8 C2_8 N1_8 109.8(6) . . ?
C3_8 C2_8 H2_8 125.1 . . ?
N2_8 C3_8 H3_8 127.3 . . ?
C2_8 C3_8 N2_8 105.4(6) . . ?
C2_8 C3_8 H3_8 127.3 . . ?
C5_8 C4_8 N2_8 120.1(5) . . ?
C5_8 C4_8 C9_8 119.6(5) . . ?
C9_8 C4_8 N2_8 120.2(5) . . ?
C4_8 C5_8 H5_8 120.1 . . ?
C4_8 C5_8 C6_8 119.8(5) . . ?
C6_8 C5_8 H5_8 120.1 . . ?
C5_8 C6_8 H6_8 119.5 . . ?
C7_8 C6_8 C5_8 121.0(5) . . ?
C7_8 C6_8 H6_8 119.5 . . ?
C6_8 C7_8 N3_8 122.0(5) . . ?
C8_8 C7_8 N3_8 119.7(5) . . ?
C8_8 C7_8 C6_8 118.3(5) . . ?
C7_8 C8_8 H8_8 119.3 . . ?
C9_8 C8_8 C7_8 121.5(5) . . ?
C9_8 C8_8 H8_8 119.3 . . ?
C4_8 C9_8 H9_8 120.2 . . ?
C8_8 C9_8 C4_8 119.7(5) . . ?
C8_8 C9_8 H9_8 120.2 . . ?
C11_8 C10_8 N3_8 120.4(5) . . ?
C11_8 C10_8 C15_8 118.5(5) . . ?
C15_8 C10_8 N3_8 121.0(5) . . ?
C10_8 C11_8 H11_8 119.7 . . ?
C10_8 C11_8 C12_8 120.6(5) . . ?
C12_8 C11_8 H11_8 119.7 . . ?
C11_8 C12_8 H12_8 120.3 . . ?
C13_8 C12_8 C11_8 119.4(5) . . ?
C13_8 C12_8 H12_8 120.3 . . ?
C12_8 C13_8 N4_8 118.6(5) . . ?
C12_8 C13_8 C14_8 120.9(5) . . ?
C14_8 C13_8 N4_8 120.4(5) . . ?
C13_8 C14_8 H14_8 120.0 . . ?
C15_8 C14_8 C13_8 119.9(5) . . ?
C15_8 C14_8 H14_8 120.0 . . ?
C10_8 C15_8 H15_8 119.7 . . ?
C14_8 C15_8 C10_8 120.6(5) . . ?
C14_8 C15_8 H15_8 119.7 . . ?
N4_8 C16_8 H16_8 126.4 . . ?
C17_8 C16_8 N4_8 107.2(6) . . ?
C17_8 C16_8 H16_8 126.4 . . ?
C16_8 C17_8 H17_8 125.8 . . ?
C16_8 C17_8 N5_8 108.4(6) . . ?
N5_8 C17_8 H17_8 125.8 . . ?
N4_8 C18_8 H18_8 124.5 . . ?
N5_8 C18_8 N4_8 111.0(5) . . ?
N5_8 C18_8 H18_8 124.5 . . ?
C20_8 C19_8 N3_8 120.4(4) . . ?
C24_8 C19_8 N3_8 121.2(4) . . ?
C24_8 C19_8 C20_8 118.4(5) . . ?
C19_8 C20_8 H20_8 119.6 . . ?
C21_8 C20_8 C19_8 120.8(5) . . ?
C21_8 C20_8 H20_8 119.6 . . ?
C20_8 C21_8 H21_8 120.1 . . ?
C20_8 C21_8 C22_8 119.7(5) . . ?
C22_8 C21_8 H21_8 120.1 . . ?
C21_8 C22_8 N6_8 118.8(4) . . ?
C23_8 C22_8 C21_8 120.6(5) . . ?
C23_8 C22_8 N6_8 120.6(5) . . ?
C22_8 C23_8 H23_8 120.0 . . ?
C22_8 C23_8 C24_8 120.0(5) . . ?
C24_8 C23_8 H23_8 120.0 . . ?
C19_8 C24_8 H24_8 119.9 . . ?
C23_8 C24_8 C19_8 120.3(5) . . ?
C23_8 C24_8 H24_8 119.9 . . ?
N6_8 C25_8 H25_8 124.9 . . ?
N7_8 C25_8 H25_8 124.9 . . ?
N7_8 C25_8 N6_8 110.3(5) . . ?
C27_8 C26_8 H26_8 126.9 . . ?
N6_8 C26_8 H26_8 126.9 . . ?
N6_8 C26_8 C27_8 106.3(6) . . ?
C26_8 C27_8 H27_8 125.3 . . ?
N7_8 C27_8 C26_8 109.3(6) . . ?
N7_8 C27_8 H27_8 125.3 . . ?
C17_8 N5_8 Ag2 125.3(4) . . ?
C18_8 N5_8 Ag2 128.2(4) . . ?
C18_8 N5_8 C17_8 106.4(5) . . ?
C25_8 N6_8 C22_8 125.2(5) . . ?
C25_8 N6_8 C26_8 107.5(5) . . ?
C26_8 N6_8 C22_8 127.1(4) . . ?
C25_8 N7_8 Ag2 123.1(4) . 6_655 ?
C25_8 N7_8 C27_8 106.6(5) . . ?
C27_8 N7_8 Ag2 129.8(4) . 6_655 ?
N1_9 Ag1_9 N1_9 180.0(7) 5_665 . ?
C1_9 N1_9 Ag1_9 123.5(10) . . ?
C1_9 N1_9 C2_9 100.9(14) . . ?
C2_9 N1_9 Ag1_9 134.7(12) . . ?
C1_9 N2_9 C3_9 105.4(15) . . ?
C1_9 N2_9 C4_9 124.4(13) . . ?
C3_9 N2_9 C4_9 130.1(14) . . ?
N1_9 C1_9 H1_9 122.9 . . ?
N2_9 C1_9 N1_9 114.2(14) . . ?
N2_9 C1_9 H1_9 122.9 . . ?
N1_9 C2_9 H2_9 123.7 . . ?
C3_9 C2_9 N1_9 112.7(16) . . ?
C3_9 C2_9 H2_9 123.7 . . ?
N2_9 C3_9 H3_9 126.6 . . ?
C2_9 C3_9 N2_9 106.8(16) . . ?
C2_9 C3_9 H3_9 126.6 . . ?
C5_9 C4_9 N2_9 121.0(8) . . ?
C5_9 C4_9 C9_9 120.0 . . ?
C9_9 C4_9 N2_9 119.0(8) . . ?
C4_9 C5_9 H5_9 120.0 . . ?
C4_9 C5_9 C6_9 120.0 . . ?
C6_9 C5_9 H5_9 120.0 . . ?
C5_9 C6_9 H6_9 120.0 . . ?
C5_9 C6_9 C7_9 120.0 . . ?
C7_9 C6_9 H6_9 120.0 . . ?
C6_9 C7_9 N3_9 123.1(7) . . ?
C8_9 C7_9 C6_9 120.0 . . ?
C8_9 C7_9 N3_9 116.6(7) . . ?
C7_9 C8_9 H8_9 120.0 . . ?
C9_9 C8_9 C7_9 120.0 . . ?
C9_9 C8_9 H8_9 120.0 . . ?
C4_9 C9_9 H9_9 120.0 . . ?
C8_9 C9_9 C4_9 120.0 . . ?
C8_9 C9_9 H9_9 120.0 . . ?
C20_9 C19_9 N3_9 118(2) . . ?
C24_9 C19_9 C20_9 118.9 . . ?
C24_9 C19_9 N3_9 123(2) . . ?
C19_9 C20_9 H20_9 118.9 . . ?
C21_9 C20_9 C19_9 122.2 . . ?
C21_9 C20_9 H20_9 119.0 . . ?
C20_9 C21_9 H21_9 120.4 . . ?
C20_9 C21_9 C22_9 119.1 . . ?
C22_9 C21_9 H21_9 120.5 . . ?
C21_9 C22_9 N6_9 120.0 . . ?
C23_9 C22_9 C21_9 120.8 . . ?
C23_9 C22_9 N6_9 119.2 . . ?
C22_9 C23_9 H23_9 120.4 . . ?
C22_9 C23_9 C24_9 119.2 . . ?
C24_9 C23_9 H23_9 120.4 . . ?
C19_9 C24_9 C23_9 119.6 . . ?
C19_9 C24_9 H24_9 120.1 . . ?
C23_9 C24_9 H24_9 120.3 . . ?
N6_9 C25_9 N7_9 108.9 . . ?
C27_9 C26_9 H26_9 117.8 . . ?
C27_9 C26_9 N6_9 106.0 . . ?
N6_9 C26_9 H26_9 133.2 . . ?
C26_9 C27_9 H27_9 125.7 . . ?
N7_9 C27_9 C26_9 108.6 . . ?
N7_9 C27_9 H27_9 125.7 . . ?
C25_9 N6_9 C22_9 124.3 . . ?
C25_9 N6_9 C26_9 108.8 . . ?
C26_9 N6_9 C22_9 126.6 . . ?
C27_9 N7_9 C25_9 107.4 . . ?
C7_9 N3_9 C19_9 113.7(15) . . ?
O1_10 N1_10 O2_10 116(3) . . ?
O1_10 N1_10 O3_10 115(3) . . ?
O2_10 N1_10 O3_10 128.0(17) . . ?
C9_2 C4_2 N2_2 120.2(5) . . ?
C5_2 C4_2 C9_2 120.7(5) . . ?
C5_2 C4_2 N2_2 119.1(5) . . ?
C7_2 C8_2 H8_2 119.8 . . ?
C9_2 C8_2 H8_2 119.8 . . ?
C9_2 C8_2 C7_2 120.5(6) . . ?
C15_2 C10_2 C11_2 118.7(6) . . ?
C15_2 C10_2 N3_2 121.2(5) . . ?
C11_2 C10_2 N3_2 120.0(5) . . ?
C12_2 C13_2 N5_2 118.7(5) . . ?
C14_2 C13_2 C12_2 120.2(6) . . ?
C14_2 C13_2 N5_2 121.1(5) . . ?
C21_2 C20_2 H20_2 119.4 . . ?
C21_2 C20_2 C19_2 121.2(6) . . ?
C19_2 C20_2 H20_2 119.4 . . ?
C10_2 C15_2 H15_2 119.9 . . ?
C14_2 C15_2 C10_2 120.1(6) . . ?
C14_2 C15_2 H15_2 119.9 . . ?
C20_2 C21_2 H21_2 120.1 . . ?
C20_2 C21_2 C22_2 119.7(5) . . ?
C22_2 C21_2 H21_2 120.1 . . ?
C13_2 C12_2 H12_2 120.1 . . ?
C11_2 C12_2 C13_2 119.8(6) . . ?
C11_2 C12_2 H12_2 120.1 . . ?
C10_2 C11_2 H11_2 119.5 . . ?
C12_2 C11_2 C10_2 121.0(6) . . ?
C12_2 C11_2 H11_2 119.5 . . ?
C20_2 C19_2 C24_2 118.2(5) . . ?
C20_2 C19_2 N3_2 120.6(5) . . ?
N3_2 C19_2 C24_2 121.2(5) . . ?
C8_2 C7_2 N3_2 118.9(5) . . ?
C6_2 C7_2 C8_2 118.8(5) . . ?
C6_2 C7_2 N3_2 122.3(5) . . ?
N1_2 C1_2 H1_2 124.0 . . ?
N1_2 C1_2 N2_2 112.0(6) . . ?
N2_2 C1_2 H1_2 124.0 . . ?
C13_2 C14_2 C15_2 120.0(6) . . ?
C13_2 C14_2 H14_2 120.0 . . ?
C15_2 C14_2 H14_2 120.0 . . ?
C21_2 C22_2 N6_2 119.2(5) . . ?
C23_2 C22_2 C21_2 120.0(6) . . ?
C23_2 C22_2 N6_2 120.8(6) . . ?
C4_2 C9_2 H9_2 119.8 . . ?
C8_2 C9_2 C4_2 120.5(5) . . ?
C8_2 C9_2 H9_2 119.8 . . ?
C4_2 C5_2 H5_2 120.7 . . ?
C4_2 C5_2 C6_2 118.6(6) . . ?
C6_2 C5_2 H5_2 120.7 . . ?
C22_2 C23_2 H23_2 119.8 . . ?
C22_2 C23_2 C24_2 120.5(6) . . ?
C24_2 C23_2 H23_2 119.8 . . ?
N5_2 C16_2 H16_2 124.2 . . ?
N4_2 C16_2 H16_2 124.2 . . ?
N4_2 C16_2 N5_2 111.6(7) . . ?
C19_2 C24_2 H24_2 119.8 . . ?
C23_2 C24_2 C19_2 120.3(5) . . ?
C23_2 C24_2 H24_2 119.8 . . ?
C7_2 C6_2 C5_2 121.0(5) . . ?
C7_2 C6_2 H6_2 119.5 . . ?
C5_2 C6_2 H6_2 119.5 . . ?
N6_2 C25_2 H25_2 125.3 . . ?
N7_2 C25_2 H25_2 125.3 . . ?
N7_2 C25_2 N6_2 109.3(6) . . ?
C18_2 C17_2 H17_2 127.3 . . ?
C18_2 C17_2 N5_2 105.5(7) . . ?
N5_2 C17_2 H17_2 127.3 . . ?
C17_2 C18_2 H18_2 124.3 . . ?
C17_2 C18_2 N4_2 111.3(8) . . ?
N4_2 C18_2 H18_2 124.3 . . ?
C2B_2 C3B_2 H3B_2 127.0 . . ?
C2B_2 C3B_2 N2_2 106.0(18) . . ?
N2_2 C3B_2 H3B_2 127.0 . . ?
C27_2 C26_2 H26_2 127.0 . . ?
N6_2 C26_2 H26_2 127.0 . . ?
N6_2 C26_2 C27_2 106.0(8) . . ?
C3B_2 C2B_2 H2B_2 124.4 . . ?
C3B_2 C2B_2 N1_2 111.1(18) . . ?
N1_2 C2B_2 H2B_2 124.4 . . ?
C26_2 C27_2 H27_2 125.0 . . ?
N7_2 C27_2 C26_2 110.1(8) . . ?
N7_2 C27_2 H27_2 125.0 . . ?
C2A N1_2 Ag3 129.4(6) . . ?
C1_2 N1_2 Ag3 122.7(5) . . ?
C1_2 N1_2 C2A 104.9(7) . . ?
C1_2 N1_2 C2B_2 102.2(10) . . ?
C2B_2 N1_2 Ag3 131.8(10) . . ?
C3A N2_2 C4_2 126.9(7) . . ?
C1_2 N2_2 C3A 105.4(7) . . ?
C1_2 N2_2 C4_2 125.7(5) . . ?
C1_2 N2_2 C3B_2 102.9(9) . . ?
C3B_2 N2_2 C4_2 126.0(10) . . ?
C19_2 N3_2 C10_2 119.9(4) . . ?
C19_2 N3_2 C7_2 121.6(5) . . ?
C7_2 N3_2 C10_2 118.1(5) . . ?
C16_2 N5_2 C13_2 128.2(6) . . ?
C16_2 N5_2 C17_2 106.1(6) . . ?
C17_2 N5_2 C13_2 125.6(5) . . ?
C16_2 N4_2 Ag4 132.2(5) . . ?
C16_2 N4_2 Ag4A 114.1(7) . . ?
C16_2 N4_2 C18_2 105.4(6) . . ?
C18_2 N4_2 Ag4 121.9(6) . . ?
C18_2 N4_2 Ag4A 140.0(7) . . ?
C25_2 N6_2 C22_2 123.8(6) . . ?
C26_2 N6_2 C22_2 127.6(6) . . ?
C26_2 N6_2 C25_2 108.6(6) . . ?
Ag4 N7_2 Ag4A 21.1(4) 6_566 6_566 ?
C25_2 N7_2 Ag4 123.9(5) . 6_566 ?
C25_2 N7_2 Ag4A 118.0(6) . 6_566 ?
C27_2 N7_2 Ag4 130.1(6) . 6_566 ?
C27_2 N7_2 Ag4A 128.6(7) . 6_566 ?
C27_2 N7_2 C25_2 105.9(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag3 N1_8 C1_8 N2_8 -177.0(4) . . . . ?
Ag3 N1_8 C2_8 C3_8 176.1(5) . . . . ?
C2A C3A N2_2 C4_2 175.0(10) . . . . ?
C2A C3A N2_2 C1_2 10.5(15) . . . . ?
C3A C2A N1_2 Ag3 -166.6(9) . . . . ?
C3A C2A N1_2 C1_2 -6.3(15) . . . . ?
N1_8 C2_8 C3_8 N2_8 0.1(9) . . . . ?
N2_8 C4_8 C5_8 C6_8 178.4(5) . . . . ?
N2_8 C4_8 C9_8 C8_8 -178.0(5) . . . . ?
N3_8 C7_8 C8_8 C9_8 176.3(5) . . . . ?
N3_8 C10_8 C11_8 C12_8 174.3(5) . . . . ?
N3_8 C10_8 C15_8 C14_8 -174.9(5) . . . . ?
N3_8 C19_8 C20_8 C21_8 174.0(5) . . . . ?
N3_8 C19_8 C24_8 C23_8 -175.7(5) . . . . ?
N4_8 C13_8 C14_8 C15_8 172.9(5) . . . . ?
N4_8 C16_8 C17_8 N5_8 -2.1(8) . . . . ?
N4_8 C18_8 N5_8 Ag2 -178.0(4) . . . . ?
N4_8 C18_8 N5_8 C17_8 -1.1(7) . . . . ?
C1_8 N1_8 C2_8 C3_8 0.6(9) . . . . ?
C1_8 N2_8 C3_8 C2_8 -0.8(8) . . . . ?
C1_8 N2_8 C4_8 C5_8 179.3(5) . . . . ?
C1_8 N2_8 C4_8 C9_8 -2.7(8) . . . . ?
C2_8 N1_8 C1_8 N2_8 -1.1(7) . . . . ?
C3_8 N2_8 C1_8 N1_8 1.2(7) . . . . ?
C3_8 N2_8 C4_8 C5_8 -4.5(9) . . . . ?
C3_8 N2_8 C4_8 C9_8 173.5(6) . . . . ?
C4_8 N2_8 C1_8 N1_8 178.1(5) . . . . ?
C4_8 N2_8 C3_8 C2_8 -177.6(6) . . . . ?
C4_8 C5_8 C6_8 C7_8 -1.9(10) . . . . ?
C5_8 C4_8 C9_8 C8_8 0.0(8) . . . . ?
C5_8 C6_8 C7_8 N3_8 -175.9(5) . . . . ?
C5_8 C6_8 C7_8 C8_8 3.0(9) . . . . ?
C6_8 C7_8 C8_8 C9_8 -2.6(8) . . . . ?
C7_8 N3_8 C10_8 C11_8 143.3(5) . . . . ?
C7_8 N3_8 C10_8 C15_8 -39.6(7) . . . . ?
C7_8 N3_8 C19_8 C20_8 141.5(5) . . . . ?
C7_8 N3_8 C19_8 C24_8 -39.1(8) . . . . ?
C7_8 C8_8 C9_8 C4_8 1.2(9) . . . . ?
C9_8 C4_8 C5_8 C6_8 0.3(9) . . . . ?
C10_8 N3_8 C7_8 C6_8 135.3(6) . . . . ?
C10_8 N3_8 C7_8 C8_8 -43.6(7) . . . . ?
C10_8 N3_8 C19_8 C20_8 -25.7(7) . . . . ?
C10_8 N3_8 C19_8 C24_8 153.7(5) . . . . ?
C10_8 C11_8 C12_8 C13_8 0.9(9) . . . . ?
C11_8 C10_8 C15_8 C14_8 2.2(9) . . . . ?
C11_8 C12_8 C13_8 N4_8 -173.7(5) . . . . ?
C11_8 C12_8 C13_8 C14_8 1.9(9) . . . . ?
C12_8 C13_8 C14_8 C15_8 -2.5(9) . . . . ?
C13_8 N4_8 C16_8 C17_8 178.8(6) . . . . ?
C13_8 N4_8 C18_8 N5_8 -177.6(5) . . . . ?
C13_8 C14_8 C15_8 C10_8 0.5(9) . . . . ?
C15_8 C10_8 C11_8 C12_8 -2.9(9) . . . . ?
C16_8 N4_8 C13_8 C12_8 36.9(8) . . . . ?
C16_8 N4_8 C13_8 C14_8 -138.7(6) . . . . ?
C16_8 N4_8 C18_8 N5_8 -0.2(7) . . . . ?
C16_8 C17_8 N5_8 Ag2 179.0(5) . . . . ?
C16_8 C17_8 N5_8 C18_8 1.9(8) . . . . ?
C18_8 N4_8 C13_8 C12_8 -146.2(6) . . . . ?
C18_8 N4_8 C13_8 C14_8 38.2(9) . . . . ?
C18_8 N4_8 C16_8 C17_8 1.4(7) . . . . ?
C19_8 N3_8 C7_8 C6_8 -31.9(8) . . . . ?
C19_8 N3_8 C7_8 C8_8 149.2(5) . . . . ?
C19_8 N3_8 C10_8 C11_8 -49.1(7) . . . . ?
C19_8 N3_8 C10_8 C15_8 128.0(5) . . . . ?
C19_8 C20_8 C21_8 C22_8 3.1(9) . . . . ?
C20_8 C19_8 C24_8 C23_8 3.7(8) . . . . ?
C20_8 C21_8 C22_8 C23_8 1.2(8) . . . . ?
C20_8 C21_8 C22_8 N6_8 -179.6(5) . . . . ?
C21_8 C22_8 C23_8 C24_8 -2.9(8) . . . . ?
C21_8 C22_8 N6_8 C25_8 -39.0(8) . . . . ?
C21_8 C22_8 N6_8 C26_8 136.4(6) . . . . ?
C22_8 C23_8 C24_8 C19_8 0.4(8) . . . . ?
C23_8 C22_8 N6_8 C25_8 140.2(6) . . . . ?
C23_8 C22_8 N6_8 C26_8 -44.4(8) . . . . ?
C24_8 C19_8 C20_8 C21_8 -5.5(8) . . . . ?
C26_8 C27_8 N7_8 Ag2 -171.7(4) . . . 6_655 ?
C26_8 C27_8 N7_8 C25_8 -0.4(7) . . . . ?
C27_8 C26_8 N6_8 C22_8 -175.6(5) . . . . ?
C27_8 C26_8 N6_8 C25_8 0.4(7) . . . . ?
N6_8 C22_8 C23_8 C24_8 177.9(5) . . . . ?
N6_8 C25_8 N7_8 Ag2 172.7(4) . . . 6_655 ?
N6_8 C25_8 N7_8 C27_8 0.7(7) . . . . ?
N6_8 C26_8 C27_8 N7_8 0.0(8) . . . . ?
N7_8 C25_8 N6_8 C22_8 175.4(5) . . . . ?
N7_8 C25_8 N6_8 C26_8 -0.7(7) . . . . ?
Ag1_9 N1_9 C1_9 N2_9 171.4(8) . . . . ?
Ag1_9 N1_9 C2_9 C3_9 -170.8(9) . . . . ?
N1_9 C2_9 C3_9 N2_9 2.6(16) . . . . ?
N2_9 C4_9 C5_9 C6_9 -178.8(9) . . . . ?
N2_9 C4_9 C9_9 C8_9 178.9(9) . . . . ?
C1_9 N1_9 C2_9 C3_9 -2.4(14) . . . . ?
C1_9 N2_9 C3_9 C2_9 -1.7(14) . . . . ?
C1_9 N2_9 C4_9 C5_9 -141.5(10) . . . . ?
C1_9 N2_9 C4_9 C9_9 39.7(13) . . . . ?
C2_9 N1_9 C1_9 N2_9 1.2(13) . . . . ?
C3_9 N2_9 C1_9 N1_9 0.2(14) . . . . ?
C3_9 N2_9 C4_9 C5_9 34.4(15) . . . . ?
C3_9 N2_9 C4_9 C9_9 -144.5(11) . . . . ?
C4_9 N2_9 C1_9 N1_9 176.9(9) . . . . ?
C4_9 N2_9 C3_9 C2_9 -178.1(11) . . . . ?
C4_9 C5_9 C6_9 C7_9 0.0 . . . . ?
C5_9 C4_9 C9_9 C8_9 0.0 . . . . ?
C5_9 C6_9 C7_9 C8_9 0.0 . . . . ?
C5_9 C6_9 C7_9 N3_9 -173.5(10) . . . . ?
C6_9 C7_9 C8_9 C9_9 0.0 . . . . ?
C6_9 C7_9 N3_9 C19_9 22.5(19) . . . . ?
C7_9 C8_9 C9_9 C4_9 0.0 . . . . ?
C8_9 C7_9 N3_9 C19_9 -151.2(18) . . . . ?
C9_9 C4_9 C5_9 C6_9 0.0 . . . . ?
C19_9 C20_9 C21_9 C22_9 3.1 . . . . ?
C20_9 C19_9 C24_9 C23_9 4.6 . . . . ?
C20_9 C19_9 N3_9 C7_9 -128.1(16) . . . . ?
C20_9 C21_9 C22_9 C23_9 0.7 . . . . ?
C20_9 C21_9 C22_9 N6_9 179.4 . . . . ?
C21_9 C22_9 C23_9 C24_9 -1.6 . . . . ?
C21_9 C22_9 N6_9 C25_9 -37.7 . . . . ?
C21_9 C22_9 N6_9 C26_9 134.1 . . . . ?
C22_9 C23_9 C24_9 C19_9 -1.0 . . . . ?
C23_9 C22_9 N6_9 C25_9 141.1 . . . . ?
C23_9 C22_9 N6_9 C26_9 -47.1 . . . . ?
C24_9 C19_9 C20_9 C21_9 -5.7 . . . . ?
C24_9 C19_9 N3_9 C7_9 58(2) . . . . ?
C26_9 C27_9 N7_9 C25_9 -4.5 . . . . ?
C27_9 C26_9 N6_9 C22_9 -175.9 . . . . ?
C27_9 C26_9 N6_9 C25_9 -3.0 . . . . ?
N6_9 C22_9 C23_9 C24_9 179.6 . . . . ?
N6_9 C25_9 N7_9 C27_9 2.6 . . . . ?
N6_9 C26_9 C27_9 N7_9 4.6 . . . . ?
N7_9 C25_9 N6_9 C22_9 173.4 . . . . ?
N7_9 C25_9 N6_9 C26_9 0.3 . . . . ?
N3_9 C7_9 C8_9 C9_9 173.9(9) . . . . ?
N3_9 C19_9 C20_9 C21_9 180(2) . . . . ?
N3_9 C19_9 C24_9 C23_9 179(2) . . . . ?
C4_2 C5_2 C6_2 C7_2 -1.0(11) . . . . ?
C8_2 C7_2 C6_2 C5_2 0.7(10) . . . . ?
C8_2 C7_2 N3_2 C10_2 47.2(8) . . . . ?
C8_2 C7_2 N3_2 C19_2 -140.4(6) . . . . ?
C10_2 C15_2 C14_2 C13_2 -1.3(9) . . . . ?
C13_2 C12_2 C11_2 C10_2 -0.4(9) . . . . ?
C20_2 C21_2 C22_2 C23_2 1.6(9) . . . . ?
C20_2 C21_2 C22_2 N6_2 -178.8(5) . . . . ?
C20_2 C19_2 C24_2 C23_2 -1.3(9) . . . . ?
C20_2 C19_2 N3_2 C10_2 22.1(8) . . . . ?
C20_2 C19_2 N3_2 C7_2 -150.2(6) . . . . ?
C15_2 C10_2 C11_2 C12_2 2.7(9) . . . . ?
C15_2 C10_2 N3_2 C19_2 -127.2(6) . . . . ?
C15_2 C10_2 N3_2 C7_2 45.3(7) . . . . ?
C21_2 C20_2 C19_2 C24_2 2.2(9) . . . . ?
C21_2 C20_2 C19_2 N3_2 -179.4(5) . . . . ?
C21_2 C22_2 C23_2 C24_2 -0.7(10) . . . . ?
C21_2 C22_2 N6_2 C25_2 44.9(10) . . . . ?
C21_2 C22_2 N6_2 C26_2 -136.6(9) . . . . ?
C12_2 C13_2 C14_2 C15_2 3.6(9) . . . . ?
C12_2 C13_2 N5_2 C16_2 162.0(6) . . . . ?
C12_2 C13_2 N5_2 C17_2 -20.9(9) . . . . ?
C11_2 C10_2 C15_2 C14_2 -1.8(8) . . . . ?
C11_2 C10_2 N3_2 C19_2 51.6(8) . . . . ?
C11_2 C10_2 N3_2 C7_2 -135.9(6) . . . . ?
C19_2 C20_2 C21_2 C22_2 -2.4(9) . . . . ?
C7_2 C8_2 C9_2 C4_2 0.0(9) . . . . ?
C14_2 C13_2 C12_2 C11_2 -2.8(9) . . . . ?
C14_2 C13_2 N5_2 C16_2 -21.3(9) . . . . ?
C14_2 C13_2 N5_2 C17_2 155.8(7) . . . . ?
C22_2 C23_2 C24_2 C19_2 0.6(10) . . . . ?
C9_2 C4_2 C5_2 C6_2 0.8(10) . . . . ?
C9_2 C4_2 N2_2 C3A -165.0(11) . . . . ?
C9_2 C4_2 N2_2 C1_2 -3.5(10) . . . . ?
C9_2 C4_2 N2_2 C3B_2 146.3(14) . . . . ?
C9_2 C8_2 C7_2 C6_2 -0.2(9) . . . . ?
C9_2 C8_2 C7_2 N3_2 179.8(5) . . . . ?
C5_2 C4_2 C9_2 C8_2 -0.3(10) . . . . ?
C5_2 C4_2 N2_2 C3A 14.0(13) . . . . ?
C5_2 C4_2 N2_2 C1_2 175.6(6) . . . . ?
C5_2 C4_2 N2_2 C3B_2 -34.7(16) . . . . ?
C23_2 C22_2 N6_2 C25_2 -135.6(7) . . . . ?
C23_2 C22_2 N6_2 C26_2 42.9(12) . . . . ?
C24_2 C19_2 N3_2 C10_2 -159.6(6) . . . . ?
C24_2 C19_2 N3_2 C7_2 28.1(8) . . . . ?
C6_2 C7_2 N3_2 C10_2 -132.9(6) . . . . ?
C6_2 C7_2 N3_2 C19_2 39.5(9) . . . . ?
C17_2 C18_2 N4_2 Ag4 -173.3(7) . . . . ?
C17_2 C18_2 N4_2 Ag4A 171.3(8) . . . . ?
C17_2 C18_2 N4_2 C16_2 0.1(11) . . . . ?
C18_2 C17_2 N5_2 C13_2 -176.0(7) . . . . ?
C18_2 C17_2 N5_2 C16_2 1.5(10) . . . . ?
C3B_2 C2B_2 N1_2 Ag3 170.6(13) . . . . ?
C3B_2 C2B_2 N1_2 C1_2 11(2) . . . . ?
C26_2 C27_2 N7_2 Ag4 173.7(8) . . . 6_566 ?
C26_2 C27_2 N7_2 Ag4A 146.4(11) . . . 6_566 ?
C26_2 C27_2 N7_2 C25_2 -1.9(14) . . . . ?
C2B_2 C3B_2 N2_2 C4_2 -171.3(13) . . . . ?
C2B_2 C3B_2 N2_2 C1_2 -16(2) . . . . ?
C27_2 C26_2 N6_2 C22_2 -177.6(9) . . . . ?
C27_2 C26_2 N6_2 C25_2 1.1(13) . . . . ?
N1_2 C2A C3A N2_2 -2.6(17) . . . . ?
N1_2 C1_2 N2_2 C3A -15.1(10) . . . . ?
N1_2 C1_2 N2_2 C4_2 -179.9(6) . . . . ?
N1_2 C1_2 N2_2 C3B_2 24.8(13) . . . . ?
N2_2 C4_2 C9_2 C8_2 178.7(6) . . . . ?
N2_2 C4_2 C5_2 C6_2 -178.2(6) . . . . ?
N2_2 C1_2 N1_2 Ag3 175.5(4) . . . . ?
N2_2 C1_2 N1_2 C2A 13.5(10) . . . . ?
N2_2 C1_2 N1_2 C2B_2 -22.6(14) . . . . ?
N2_2 C3B_2 C2B_2 N1_2 3(3) . . . . ?
N3_2 C10_2 C15_2 C14_2 177.0(5) . . . . ?
N3_2 C10_2 C11_2 C12_2 -176.2(5) . . . . ?
N3_2 C19_2 C24_2 C23_2 -179.6(6) . . . . ?
N3_2 C7_2 C6_2 C5_2 -179.3(6) . . . . ?
N5_2 C13_2 C12_2 C11_2 174.0(5) . . . . ?
N5_2 C13_2 C14_2 C15_2 -173.1(5) . . . . ?
N5_2 C16_2 N4_2 Ag4 173.4(5) . . . . ?
N5_2 C16_2 N4_2 Ag4A -172.9(5) . . . . ?
N5_2 C16_2 N4_2 C18_2 0.9(9) . . . . ?
N5_2 C17_2 C18_2 N4_2 -1.0(12) . . . . ?
N4_2 C16_2 N5_2 C13_2 175.9(6) . . . . ?
N4_2 C16_2 N5_2 C17_2 -1.6(9) . . . . ?
N6_2 C22_2 C23_2 C24_2 179.7(6) . . . . ?
N6_2 C25_2 N7_2 Ag4 -173.4(5) . . . 6_566 ?
N6_2 C25_2 N7_2 Ag4A -149.8(8) . . . 6_566 ?
N6_2 C25_2 N7_2 C27_2 2.6(11) . . . . ?
N6_2 C26_2 C27_2 N7_2 0.5(15) . . . . ?
N7_2 C25_2 N6_2 C22_2 176.4(7) . . . . ?
N7_2 C25_2 N6_2 C26_2 -2.4(10) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  
;
A solvent mask was calculated and 448 electrons were 
found in a volume of 1905Å³ in 3 voids per unit cell. 
This is consistent with the presence of 
10[H2O], 2[CH3CN], 10[H2O] per Formula Unit 
which account for 488 electrons 
per unit cell.
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.750 0.250 0.750 796 199 '20 H2O'
2 0.750 0.250 0.250 156 25 '2 CH3CN'
3 0.250 0.750 0.250 797 199 '20 H2O'
4 0.250 0.750 0.750 156 25 '2 CH3CN'

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_PLAT308_94e1_0m_sq          
;
PROBLEM: Single Bonded Metal Atom in Structure  (Unusual)      Ag1_9 Check 
RESPONSE: Due to disorder, Ag1_9 is only half occupancy there and coordinated 
with two ligands, not single bonded.
;
# end Validation Reply Form
