# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_1-100K
_database_code_depnum_ccdc_archive 'CCDC 1959292'
loop_
_audit_author_name
_audit_author_address
'Cui-Juan Zhang'
;Sun Yat sen University
China
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2019-12-24 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(C128 H64 Ag16 Fe8 N64 O8), 3(C10 H7 F)'
_chemical_formula_sum            'C62 H37 Ag4 F3 Fe2 N16 O2'
_chemical_formula_weight         1638.25
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe -1.1336 3.1974 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   20.3892(3)
_cell_length_b                   28.2589(4)
_cell_length_c                   13.7329(2)
_cell_angle_alpha                90
_cell_angle_beta                 131.787(2)
_cell_angle_gamma                90
_cell_volume                     5899.8(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10984
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      75.6690
_cell_measurement_theta_min      3.1280
_shelx_estimated_absorpt_T_max   0.524
_shelx_estimated_absorpt_T_min   0.365
_exptl_absorpt_coefficient_mu    14.866
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.10974
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3216
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.005
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0658
_diffrn_reflns_av_unetI/netI     0.0506
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            24865
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         76.330
_diffrn_reflns_theta_min         3.128
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5124
_reflns_number_total             5964
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    ?
_computing_publication_material  ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    ?
_refine_diff_density_max         3.709
_refine_diff_density_min         -2.353
_refine_diff_density_rms         0.255
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         5964
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0832
_refine_ls_R_factor_gt           0.0734
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0926P)²+206.3875P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1906
_refine_ls_wR_factor_ref         0.2029
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 F3-C28
 1.35 with sigma of 0.01
 C27-C28 = C27-C31 = C30-C31 = C30-C29
 1.38 with sigma of 0.01
 C18-F1
 1.35 with sigma of 0.01
 C23-F2
 1.35 with sigma of 0.01
 F3-C27 = F3-C29_$1
 2.34 with sigma of 0.01
 C28-C31 = C27-C30 = C31-C29
 2.39 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
F3 \\sim C27 \\sim C28: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
F1 \\sim C18: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: F1(0.3) F2(0.7) H18(0.7) H23(0.3) F3(0.5) H28(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C8(H8), C9(H9), C13(H13), C14(H14), C15(H15), C16(H16),
 C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23), C24(H24), C25(H25),
  C27(H27), C28(H28), C29(H29), C30(H30)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.5000 0.20643(3) 0.7500 0.0192(2) Uani 1 2 d S T P . .
Ag2 Ag 0.5000 0.21471(3) 0.2500 0.0202(2) Uani 1 2 d S T P . .
Ag3 Ag 0.0000 0.17898(3) -0.2500 0.0202(2) Uani 1 2 d S T P . .
Ag4 Ag 0.0000 0.18002(3) 0.2500 0.0193(2) Uani 1 2 d S T P . .
Fe1 Fe 0.25020(7) 0.19144(4) 0.24938(11) 0.0106(3) Uani 1 1 d . . . . .
O1 O 0.2004(4) 0.44092(18) 0.2255(6) 0.0176(11) Uani 1 1 d . . . . .
N1 N 0.3416(4) 0.2002(2) 0.4389(7) 0.0172(13) Uani 1 1 d . . . . .
N2 N 0.3373(5) 0.2052(2) 0.2349(7) 0.0181(14) Uani 1 1 d . . . . .
N3 N 0.1598(5) 0.1825(2) 0.0603(7) 0.0174(14) Uani 1 1 d . . . . .
N4 N 0.1627(5) 0.1802(2) 0.2642(7) 0.0177(14) Uani 1 1 d . . . . .
N5 N 0.2196(5) 0.2602(2) 0.2270(7) 0.0155(13) Uani 1 1 d . . . . .
N6 N 0.0667(5) 0.4169(2) 0.1366(7) 0.0218(15) Uani 1 1 d . . . . .
N7 N 0.0684(5) 0.4660(2) 0.1408(7) 0.0203(14) Uani 1 1 d . . . . .
N8 N 0.2206(4) 0.6233(2) 0.2305(6) 0.0124(12) Uani 1 1 d . . . . .
C1 C 0.3974(5) 0.2036(3) 0.5505(8) 0.0189(16) Uani 1 1 d . . . . .
C2 C 0.3932(6) 0.2113(3) 0.2375(9) 0.0216(18) Uani 1 1 d . . . . .
C3 C 0.1044(6) 0.1791(3) -0.0503(8) 0.0201(17) Uani 1 1 d . . . . .
C4 C 0.1072(6) 0.1788(3) 0.2639(9) 0.0197(17) Uani 1 1 d . . . . .
C5 C 0.1352(5) 0.2730(3) 0.1469(7) 0.0155(15) Uani 1 1 d . . . . .
H5 H 0.0912 0.2491 0.0997 0.019 Uiso 1 1 calc R . . . .
C6 C 0.1095(6) 0.3199(3) 0.1304(8) 0.0177(16) Uani 1 1 d . . . . .
H6 H 0.0489 0.3281 0.0714 0.021 Uiso 1 1 calc R . . . .
C7 C 0.1742(5) 0.3546(3) 0.2022(8) 0.0174(16) Uani 1 1 d . . . . .
C8 C 0.2610(6) 0.3425(3) 0.2827(8) 0.0208(17) Uani 1 1 d . . . . .
H8 H 0.3058 0.3659 0.3302 0.025 Uiso 1 1 calc R . . . .
C9 C 0.2820(6) 0.2941(3) 0.2931(8) 0.0193(16) Uani 1 1 d . . . . .
H9 H 0.3421 0.2851 0.3486 0.023 Uiso 1 1 calc R . . . .
C10 C 0.1447(5) 0.4035(3) 0.1875(8) 0.0190(16) Uani 1 1 d . . . . .
C11 C 0.1469(6) 0.4785(3) 0.1922(8) 0.0203(16) Uani 1 1 d . . . . .
C12 C 0.1766(6) 0.5276(3) 0.2087(8) 0.0190(16) Uani 1 1 d . . . . .
C13 C 0.1130(5) 0.5623(3) 0.1531(8) 0.0170(15) Uani 1 1 d . . . . .
H13 H 0.0536 0.5541 0.1076 0.020 Uiso 1 1 calc R . . . .
C14 C 0.1372(5) 0.6095(3) 0.1645(8) 0.0184(16) Uani 1 1 d . . . . .
H14 H 0.0927 0.6331 0.1238 0.022 Uiso 1 1 calc R . . . .
C15 C 0.2821(5) 0.5885(3) 0.2838(8) 0.0156(15) Uani 1 1 d . . . . .
H15 H 0.3413 0.5975 0.3302 0.019 Uiso 1 1 calc R . . . .
C16 C 0.2632(5) 0.5404(3) 0.2742(8) 0.0157(15) Uani 1 1 d . . . . .
H16 H 0.3078 0.5171 0.3111 0.019 Uiso 1 1 calc R . . . .
F1 F 0.3528(14) 0.5956(7) 0.061(2) 0.050(5) Uani 0.3 1 d D U . A 1
F2 F 0.0583(5) 0.3877(3) -0.1109(8) 0.0321(17) Uani 0.7 1 d D . . B 1
C17 C 0.3124(7) 0.5185(4) 0.0428(10) 0.032(2) Uani 1 1 d . . . . .
H17 H 0.3688 0.5091 0.0760 0.038 Uiso 1 1 calc R . . . .
C18 C 0.2916(7) 0.5649(4) 0.0300(10) 0.035(2) Uani 1 1 d D U . . .
H18 H 0.3351 0.5876 0.0562 0.042 Uiso 0.7 1 calc R . . A 2
C19 C 0.2109(7) 0.5810(3) -0.0190(9) 0.030(2) Uani 1 1 d . . . . .
H19 H 0.1996 0.6140 -0.0254 0.036 Uiso 1 1 calc R . . . .
C20 C 0.1474(7) 0.5492(4) -0.0580(10) 0.031(2) Uani 1 1 d . . . . .
H20 H 0.0913 0.5601 -0.0930 0.037 Uiso 1 1 calc R . . . .
C21 C 0.1638(6) 0.5001(3) -0.0472(9) 0.0270(19) Uani 1 1 d . . . . .
C22 C 0.0990(7) 0.4661(4) -0.0868(9) 0.029(2) Uani 1 1 d . . . . .
H22 H 0.0423 0.4757 -0.1218 0.035 Uiso 1 1 calc R . . . .
C23 C 0.1198(6) 0.4192(4) -0.0738(9) 0.033(2) Uani 1 1 d D . . . .
H23 H 0.0760 0.3966 -0.1006 0.040 Uiso 0.3 1 calc R . . B 2
C24 C 0.2018(7) 0.4029(3) -0.0231(9) 0.029(2) Uani 1 1 d . . . . .
H24 H 0.2127 0.3699 -0.0168 0.034 Uiso 1 1 calc R . . . .
C25 C 0.2657(7) 0.4342(3) 0.0171(9) 0.029(2) Uani 1 1 d . . . . .
H25 H 0.3219 0.4231 0.0528 0.035 Uiso 1 1 calc R . . . .
C26 C 0.2487(7) 0.4842(3) 0.0059(9) 0.0280(19) Uani 1 1 d . . . . .
F3 F 0.4247(14) 0.3860(4) 0.3061(14) 0.099(6) Uani 0.5 1 d D U . C 1
C27 C 0.4605(8) 0.4667(3) 0.3550(11) 0.052(3) Uani 1 1 d D U . . .
H27 H 0.4429 0.4719 0.2721 0.063 Uiso 1 1 calc R . . . .
C28 C 0.4572(8) 0.4218(3) 0.3909(11) 0.051(3) Uani 1 1 d D U . . .
H28 H 0.4410 0.3962 0.3338 0.061 Uiso 0.5 1 calc R . . C 2
C29 C 0.5232(8) 0.5874(4) 0.4931(10) 0.048(3) Uani 1 1 d D . . . .
H29 H 0.5298 0.6183 0.4730 0.058 Uiso 1 1 calc R . . . .
C30 C 0.4939(8) 0.5503(3) 0.4083(11) 0.045(3) Uani 1 1 d D . . . .
H30 H 0.4762 0.5561 0.3256 0.054 Uiso 1 1 calc R . . . .
C31 C 0.4895(7) 0.5046(3) 0.4403(10) 0.041(3) Uani 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag4 3.2087(11) 7_556 ?
Ag1 C1 2.061(8) . ?
Ag1 C1 2.061(8) 2_656 ?
Ag2 Ag3 3.0041(11) 7 ?
Ag2 C2 2.070(8) 2_655 ?
Ag2 C2 2.070(8) . ?
Ag3 Ag2 3.0042(11) 7 ?
Ag3 C3 2.067(8) 2_554 ?
Ag3 C3 2.067(8) . ?
Ag4 Ag1 3.2088(11) 7_556 ?
Ag4 C4 2.064(8) 2 ?
Ag4 C4 2.064(8) . ?
Fe1 N1 1.961(7) . ?
Fe1 N2 1.953(7) . ?
Fe1 N3 1.955(7) . ?
Fe1 N4 1.951(7) . ?
Fe1 N5 2.001(6) . ?
Fe1 N8 1.980(6) 4_545 ?
O1 C10 1.374(10) . ?
O1 C11 1.364(10) . ?
N1 C1 1.153(11) . ?
N2 C2 1.130(11) . ?
N3 C3 1.143(11) . ?
N4 C4 1.130(11) . ?
N5 C5 1.334(11) . ?
N5 C9 1.349(10) . ?
N6 N7 1.387(10) . ?
N6 C10 1.296(11) . ?
N7 C11 1.297(11) . ?
N8 Fe1 1.979(6) 4 ?
N8 C14 1.346(11) . ?
N8 C15 1.360(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.387(11) . ?
C6 H6 0.9500 . ?
C6 C7 1.395(11) . ?
C7 C8 1.364(12) . ?
C7 C10 1.466(11) . ?
C8 H8 0.9500 . ?
C8 C9 1.413(11) . ?
C9 H9 0.9500 . ?
C11 C12 1.470(11) . ?
C12 C13 1.380(11) . ?
C12 C16 1.392(12) . ?
C13 H13 0.9500 . ?
C13 C14 1.394(11) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.397(10) . ?
C16 H16 0.9500 . ?
F1 C18 1.335(10) . ?
F2 C23 1.332(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.354(15) . ?
C17 C26 1.416(15) . ?
C18 H18 0.9500 . ?
C18 C19 1.375(16) . ?
C19 H19 0.9500 . ?
C19 C20 1.358(15) . ?
C20 H20 0.9500 . ?
C20 C21 1.413(13) . ?
C21 C22 1.415(14) . ?
C21 C26 1.433(14) . ?
C22 H22 0.9500 . ?
C22 C23 1.364(15) . ?
C23 H23 0.9500 . ?
C23 C24 1.394(14) . ?
C24 H24 0.9500 . ?
C24 C25 1.351(14) . ?
C25 H25 0.9500 . ?
C25 C26 1.438(13) . ?
F3 C28 1.337(9) . ?
C27 H27 0.9500 . ?
C27 C28 1.378(9) . ?
C27 C31 1.394(8) . ?
C28 H28 0.9500 . ?
C28 C29 1.385(15) 5_666 ?
C29 C28 1.385(15) 5_666 ?
C29 H29 0.9500 . ?
C29 C30 1.373(9) . ?
C30 H30 0.9500 . ?
C30 C31 1.389(8) . ?
C31 C31 1.41(2) 5_666 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ag1 Ag4 92.2(2) . 7_556 ?
C1 Ag1 Ag4 92.2(2) 2_656 7_556 ?
C1 Ag1 C1 175.6(4) . 2_656 ?
C2 Ag2 Ag3 92.6(2) 2_655 7 ?
C2 Ag2 Ag3 92.6(2) . 7 ?
C2 Ag2 C2 174.7(4) . 2_655 ?
C3 Ag3 Ag2 89.9(2) 2_554 7 ?
C3 Ag3 Ag2 89.9(2) . 7 ?
C3 Ag3 C3 179.9(5) 2_554 . ?
C4 Ag4 Ag1 91.0(2) . 7_556 ?
C4 Ag4 Ag1 91.0(2) 2 7_556 ?
C4 Ag4 C4 178.0(4) . 2 ?
N1 Fe1 N5 90.2(3) . . ?
N1 Fe1 N8 90.4(3) . 4_545 ?
N2 Fe1 N1 89.2(3) . . ?
N2 Fe1 N3 90.4(3) . . ?
N2 Fe1 N5 90.2(3) . . ?
N2 Fe1 N8 89.9(3) . 4_545 ?
N3 Fe1 N1 179.5(3) . . ?
N3 Fe1 N5 90.0(3) . . ?
N3 Fe1 N8 89.4(3) . 4_545 ?
N4 Fe1 N1 90.5(3) . . ?
N4 Fe1 N2 177.9(3) . . ?
N4 Fe1 N3 89.9(3) . . ?
N4 Fe1 N5 87.8(3) . . ?
N4 Fe1 N8 92.2(3) . 4_545 ?
N8 Fe1 N5 179.4(3) 4_545 . ?
C11 O1 C10 101.4(6) . . ?
C1 N1 Fe1 176.8(7) . . ?
C2 N2 Fe1 173.7(7) . . ?
C3 N3 Fe1 176.4(7) . . ?
C4 N4 Fe1 171.3(7) . . ?
C5 N5 Fe1 119.2(5) . . ?
C5 N5 C9 118.9(7) . . ?
C9 N5 Fe1 121.9(6) . . ?
C10 N6 N7 106.4(7) . . ?
C11 N7 N6 106.4(7) . . ?
C14 N8 Fe1 120.2(5) . 4 ?
C14 N8 C15 116.8(7) . . ?
C15 N8 Fe1 122.9(5) . 4 ?
N1 C1 Ag1 177.0(7) . . ?
N2 C2 Ag2 173.4(7) . . ?
N3 C3 Ag3 174.6(7) . . ?
N4 C4 Ag4 175.1(8) . . ?
N5 C5 H5 118.9 . . ?
N5 C5 C6 122.1(7) . . ?
C6 C5 H5 118.9 . . ?
C5 C6 H6 120.6 . . ?
C5 C6 C7 118.7(8) . . ?
C7 C6 H6 120.6 . . ?
C6 C7 C10 117.3(7) . . ?
C8 C7 C6 120.1(7) . . ?
C8 C7 C10 122.7(8) . . ?
C7 C8 H8 121.1 . . ?
C7 C8 C9 117.9(8) . . ?
C9 C8 H8 121.1 . . ?
N5 C9 C8 122.2(8) . . ?
N5 C9 H9 118.9 . . ?
C8 C9 H9 118.9 . . ?
O1 C10 C7 120.8(7) . . ?
N6 C10 O1 112.7(7) . . ?
N6 C10 C7 126.4(8) . . ?
O1 C11 C12 121.9(7) . . ?
N7 C11 O1 113.0(7) . . ?
N7 C11 C12 125.0(8) . . ?
C13 C12 C11 116.5(8) . . ?
C13 C12 C16 119.5(7) . . ?
C16 C12 C11 123.9(7) . . ?
C12 C13 H13 120.5 . . ?
C12 C13 C14 119.1(8) . . ?
C14 C13 H13 120.5 . . ?
N8 C14 C13 123.1(7) . . ?
N8 C14 H14 118.5 . . ?
C13 C14 H14 118.5 . . ?
N8 C15 H15 118.1 . . ?
N8 C15 C16 123.7(7) . . ?
C16 C15 H15 118.1 . . ?
C12 C16 C15 117.7(7) . . ?
C12 C16 H16 121.2 . . ?
C15 C16 H16 121.2 . . ?
C18 C17 H17 120.5 . . ?
C18 C17 C26 119.0(10) . . ?
C26 C17 H17 120.5 . . ?
F1 C18 C17 116.3(15) . . ?
F1 C18 C19 120.0(15) . . ?
C17 C18 H18 118.2 . . ?
C17 C18 C19 123.6(10) . . ?
C19 C18 H18 118.2 . . ?
C18 C19 H19 120.4 . . ?
C20 C19 C18 119.3(9) . . ?
C20 C19 H19 120.4 . . ?
C19 C20 H20 119.6 . . ?
C19 C20 C21 120.9(9) . . ?
C21 C20 H20 119.6 . . ?
C20 C21 C22 122.2(9) . . ?
C20 C21 C26 118.8(9) . . ?
C22 C21 C26 119.0(9) . . ?
C21 C22 H22 120.7 . . ?
C23 C22 C21 118.7(9) . . ?
C23 C22 H22 120.7 . . ?
F2 C23 C22 117.9(9) . . ?
F2 C23 C24 118.7(9) . . ?
C22 C23 H23 118.3 . . ?
C22 C23 C24 123.4(9) . . ?
C24 C23 H23 118.3 . . ?
C23 C24 H24 120.1 . . ?
C25 C24 C23 119.8(9) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C26 120.1(9) . . ?
C26 C25 H25 120.0 . . ?
C17 C26 C21 118.4(9) . . ?
C17 C26 C25 122.5(10) . . ?
C21 C26 C25 119.1(9) . . ?
C28 C27 H27 120.0 . . ?
C28 C27 C31 120.1(9) . . ?
C31 C27 H27 120.0 . . ?
F3 C28 C27 120.0(10) . . ?
F3 C28 C29 117.0(10) . 5_666 ?
C27 C28 H28 118.7 . . ?
C27 C28 C29 122.6(9) . 5_666 ?
C29 C28 H28 118.7 5_666 . ?
C28 C29 H29 121.3 5_666 . ?
C30 C29 C28 117.4(10) . 5_666 ?
C30 C29 H29 121.3 . . ?
C29 C30 H30 119.1 . . ?
C29 C30 C31 121.8(10) . . ?
C31 C30 H30 119.1 . . ?
C27 C31 C31 117.7(10) . 5_666 ?
C30 C31 C27 122.0(9) . . ?
C30 C31 C31 120.2(10) . 5_666 ?

####################################################################### 
# 
# 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_1-298K
_database_code_depnum_ccdc_archive 'CCDC 1959296'
loop_
_audit_author_name
_audit_author_address
'Cui-Juan Zhang'
;Sun Yat sen University
China
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2019-12-24 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(C128 H64 Ag16 Fe8 N64 O8), 3(C10 H7 F)'
_chemical_formula_sum            'C62 H37 Ag4 F3 Fe2 N16 O2'
_chemical_formula_weight         1638.25
_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'
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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.068(3)
_cell_length_b                   28.8921(10)
_cell_length_c                   14.1739(12)
_cell_angle_alpha                90
_cell_angle_beta                 131.579(14)
_cell_angle_gamma                90
_cell_volume                     6453.8(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    17589
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.7190
_cell_measurement_theta_min      3.6300
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.691
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.86930
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.686
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3216
_exptl_crystal_size_max          0.085
_exptl_crystal_size_mid          0.064
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.921
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            49870
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.921
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.566
_diffrn_reflns_theta_min         3.413
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6405
_reflns_number_total             9130
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    ?
_computing_publication_material  ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    ?
_refine_diff_density_max         1.093
_refine_diff_density_min         -0.625
_refine_diff_density_rms         0.080
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         9130
_refine_ls_number_restraints     85
_refine_ls_R_factor_all          0.0680
_refine_ls_R_factor_gt           0.0409
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0441P)²+8.4128P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0955
_refine_ls_wR_factor_ref         0.1092
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 F3-C28
 1.35 with sigma of 0.01
 C27-C28 = C27-C31 = C30-C31 = C30-C29
 1.38 with sigma of 0.01
 C21-C22 = C22-C23 = C23-C24 = C24-C25 = C25-C26
 1.38 with sigma of 0.01
 F2-C23
 1.35 with sigma of 0.02
 C18-F1
 1.35 with sigma of 0.02
 C22-C24 = C23-C25 = C24-C26 = C25-C21
 2.39 with sigma of 0.02
 F3-C27 = F3-C29_$1
 2.34 with sigma of 0.01
 C28-C31 = C27-C30 = C31-C29
 2.39 with sigma of 0.02
3. Rigid bond restraints
 C23, C24
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C29, C30, C31
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
F3 \\sim C27 \\sim C28: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
F1 \\sim C18: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
F1 \\sim C17 \\sim C18: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C29 \\sim C30 \\sim C31: within 1.7A with sigma of 0.04 and sigma for terminal
atoms of 0.08
Uanis(F3) \\sim Ueq, Uanis(C23) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
5. Others
 Fixed Sof: F1(0.3) F2(0.7) H18(0.7) H23(0.3) F3(0.5) H28(0.5)
6.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C8(H8), C9(H9), C13(H13), C14(H14), C15(H15), C16(H16),
 C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23), C24(H24), C25(H25),
  C27(H27), C28(H28), C29(H29), C30(H30)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.5000 0.20707(2) 0.7500 0.06197(12) Uani 1 2 d S T P . .
Ag2 Ag 0.5000 0.21559(2) 0.2500 0.06678(13) Uani 1 2 d S T P . .
Ag3 Ag 0.0000 0.17807(2) -0.2500 0.06362(13) Uani 1 2 d S T P . .
Ag4 Ag 0.0000 0.17905(2) 0.2500 0.06435(13) Uani 1 2 d S T P . .
Fe1 Fe 0.25038(2) 0.19078(2) 0.24954(3) 0.02583(9) Uani 1 1 d . . . . .
O1 O 0.19119(12) 0.44036(6) 0.21823(19) 0.0408(4) Uani 1 1 d . . . . .
N1 N 0.34798(16) 0.20061(9) 0.4519(2) 0.0457(6) Uani 1 1 d . . . . .
N2 N 0.34371(16) 0.20768(8) 0.2366(3) 0.0470(6) Uani 1 1 d . . . . .
N3 N 0.15346(17) 0.18012(8) 0.0485(2) 0.0477(6) Uani 1 1 d . . . . .
N4 N 0.15684(16) 0.17715(8) 0.2642(3) 0.0451(6) Uani 1 1 d . . . . .
N5 N 0.21477(15) 0.26475(7) 0.2227(2) 0.0400(5) Uani 1 1 d . . . . .
N6 N 0.06315(16) 0.41657(8) 0.1337(2) 0.0477(6) Uani 1 1 d . . . . .
N7 N 0.06432(15) 0.46522(8) 0.1365(2) 0.0463(6) Uani 1 1 d . . . . .
N8 N 0.21675(13) 0.61684(7) 0.22767(19) 0.0315(4) Uani 1 1 d . . . . .
C1 C 0.4011(2) 0.20405(11) 0.5576(3) 0.0503(8) Uani 1 1 d . . . . .
C2 C 0.3989(2) 0.21263(11) 0.2404(4) 0.0558(9) Uani 1 1 d . . . . .
C3 C 0.0997(2) 0.17791(11) -0.0581(3) 0.0543(8) Uani 1 1 d . . . . .
C4 C 0.1021(2) 0.17742(11) 0.2619(4) 0.0546(8) Uani 1 1 d . . . . .
C5 C 0.13348(18) 0.27694(9) 0.1463(3) 0.0450(7) Uani 1 1 d . . . . .
H5 H 0.0927 0.2538 0.1011 0.054 Uiso 1 1 calc R . . . .
C6 C 0.10640(19) 0.32183(9) 0.1303(3) 0.0466(7) Uani 1 1 d . . . . .
H6 H 0.0488 0.3287 0.0763 0.056 Uiso 1 1 calc R . . . .
C7 C 0.16649(18) 0.35652(9) 0.1963(3) 0.0412(6) Uani 1 1 d . . . . .
C8 C 0.25146(19) 0.34449(10) 0.2741(3) 0.0583(9) Uani 1 1 d . . . . .
H8 H 0.2938 0.3669 0.3188 0.070 Uiso 1 1 calc R . . . .
C9 C 0.2712(2) 0.29853(10) 0.2832(3) 0.0544(9) Uani 1 1 d . . . . .
H9 H 0.3283 0.2906 0.3355 0.065 Uiso 1 1 calc R . . . .
C10 C 0.13796(18) 0.40402(9) 0.1815(3) 0.0406(6) Uani 1 1 d . . . . .
C11 C 0.13991(17) 0.47717(9) 0.1857(3) 0.0373(6) Uani 1 1 d . . . . .
C12 C 0.16984(17) 0.52466(9) 0.2029(2) 0.0346(5) Uani 1 1 d . . . . .
C13 C 0.11113(17) 0.55991(8) 0.1551(3) 0.0399(6) Uani 1 1 d . . . . .
H13 H 0.0550 0.5532 0.1150 0.048 Uiso 1 1 calc R . . . .
C14 C 0.13678(17) 0.60491(9) 0.1679(3) 0.0400(6) Uani 1 1 d . . . . .
H14 H 0.0964 0.6282 0.1331 0.048 Uiso 1 1 calc R . . . .
C15 C 0.27342(17) 0.58248(9) 0.2739(3) 0.0387(6) Uani 1 1 d . . . . .
H15 H 0.3293 0.5903 0.3154 0.046 Uiso 1 1 calc R . . . .
C16 C 0.25311(17) 0.53611(9) 0.2632(3) 0.0401(6) Uani 1 1 d . . . . .
H16 H 0.2941 0.5133 0.2956 0.048 Uiso 1 1 calc R . . . .
F1 F 0.3488(7) 0.5897(4) 0.0578(10) 0.119(3) Uani 0.3 1 d D U . A 1
F2 F 0.0633(3) 0.39338(18) -0.1091(4) 0.1265(15) Uani 0.7 1 d D . . B 1
C17 C 0.3080(4) 0.5175(2) 0.0362(5) 0.0968(15) Uani 1 1 d . U . . .
H17 H 0.3606 0.5079 0.0659 0.116 Uiso 1 1 calc R . . . .
C18 C 0.2909(4) 0.5631(2) 0.0265(5) 0.1044(17) Uani 1 1 d D U . . .
H18 H 0.3330 0.5842 0.0518 0.125 Uiso 0.7 1 calc R . . A 2
C19 C 0.2132(4) 0.5798(2) -0.0196(5) 0.0969(16) Uani 1 1 d . . . . .
H19 H 0.2034 0.6115 -0.0247 0.116 Uiso 1 1 calc R . . . .
C20 C 0.1520(4) 0.54923(18) -0.0570(4) 0.0848(14) Uani 1 1 d . . . . .
H20 H 0.0994 0.5603 -0.0897 0.102 Uiso 1 1 calc R . . . .
C21 C 0.1653(3) 0.50054(15) -0.0479(4) 0.0716(12) Uani 1 1 d D . . . .
C22 C 0.1030(3) 0.46849(18) -0.0861(4) 0.0816(13) Uani 1 1 d D . . . .
H22 H 0.0497 0.4784 -0.1189 0.098 Uiso 1 1 calc R . . . .
C23 C 0.1205(3) 0.42311(19) -0.0750(4) 0.0873(13) Uani 1 1 d D U . . .
H23 H 0.0783 0.4021 -0.1002 0.105 Uiso 0.3 1 calc R . . B 2
C24 C 0.1989(4) 0.40583(17) -0.0273(4) 0.0921(15) Uani 1 1 d D U . . .
H24 H 0.2086 0.3741 -0.0213 0.111 Uiso 1 1 calc R . . . .
C25 C 0.2608(3) 0.43668(17) 0.0100(4) 0.0858(14) Uani 1 1 d D . . . .
H25 H 0.3134 0.4259 0.0415 0.103 Uiso 1 1 calc R . . . .
C26 C 0.2461(3) 0.48423(16) 0.0014(3) 0.0745(11) Uani 1 1 d D . . . .
F3 F 0.4254(8) 0.3941(4) 0.3024(10) 0.287(6) Uani 0.5 1 d D U . C 1
C27 C 0.4583(5) 0.4717(3) 0.3525(8) 0.171(3) Uani 1 1 d D U . . .
H27 H 0.4410 0.4778 0.2739 0.205 Uiso 1 1 calc R . . . .
C28 C 0.4564(6) 0.4270(3) 0.3902(9) 0.176(4) Uani 1 1 d D U . . .
H28 H 0.4375 0.4041 0.3307 0.212 Uiso 0.5 1 calc R . . C 2
C29 C 0.5227(4) 0.5884(4) 0.5018(8) 0.176(4) Uani 1 1 d D U . . .
H29 H 0.5283 0.6187 0.4866 0.211 Uiso 1 1 calc R . . . .
C30 C 0.4925(5) 0.5527(3) 0.4192(8) 0.155(3) Uani 1 1 d D U . . .
H30 H 0.4726 0.5599 0.3396 0.186 Uiso 1 1 calc R . . . .
C31 C 0.4884(3) 0.5060(3) 0.4426(6) 0.122(2) Uani 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag4 3.2903(6) 7_556 ?
Ag1 C1 2.060(3) 2_656 ?
Ag1 C1 2.060(3) . ?
Ag2 Ag3 3.0723(6) 7 ?
Ag2 C2 2.044(3) . ?
Ag2 C2 2.044(3) 2_655 ?
Ag3 Ag2 3.0723(6) 7 ?
Ag3 C3 2.056(3) . ?
Ag3 C3 2.056(3) 2_554 ?
Ag4 Ag1 3.2902(6) 7_556 ?
Ag4 C4 2.044(3) . ?
Ag4 C4 2.044(3) 2 ?
Fe1 N1 2.169(2) . ?
Fe1 N2 2.148(2) . ?
Fe1 N3 2.159(2) . ?
Fe1 N4 2.151(2) . ?
Fe1 N5 2.213(2) . ?
Fe1 N8 2.203(2) 4_545 ?
O1 C10 1.362(3) . ?
O1 C11 1.360(3) . ?
N1 C1 1.133(4) . ?
N2 C2 1.137(4) . ?
N3 C3 1.139(4) . ?
N4 C4 1.131(4) . ?
N5 C5 1.330(4) . ?
N5 C9 1.322(4) . ?
N6 N7 1.406(3) . ?
N6 C10 1.287(4) . ?
N7 C11 1.292(4) . ?
N8 Fe1 2.202(2) 4 ?
N8 C14 1.334(3) . ?
N8 C15 1.342(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.374(4) . ?
C6 H6 0.9300 . ?
C6 C7 1.382(4) . ?
C7 C8 1.386(4) . ?
C7 C10 1.457(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.372(4) . ?
C9 H9 0.9300 . ?
C11 C12 1.461(4) . ?
C12 C13 1.384(4) . ?
C12 C16 1.388(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.373(4) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C15 C16 1.384(4) . ?
C16 H16 0.9300 . ?
F1 C18 1.248(10) . ?
F2 C23 1.285(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.348(7) . ?
C17 C26 1.419(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.385(8) . ?
C19 H19 0.9300 . ?
C19 C20 1.348(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.424(6) . ?
C21 C22 1.390(5) . ?
C21 C26 1.425(6) . ?
C22 H22 0.9300 . ?
C22 C23 1.343(6) . ?
C23 H23 0.9300 . ?
C23 C24 1.399(6) . ?
C24 H24 0.9300 . ?
C24 C25 1.363(6) . ?
C25 H25 0.9300 . ?
C25 C26 1.396(5) . ?
F3 C28 1.342(8) . ?
C27 H27 0.9300 . ?
C27 C28 1.408(8) . ?
C27 C31 1.392(7) . ?
C28 H28 0.9300 . ?
C28 C29 1.357(12) 5_666 ?
C29 C28 1.357(12) 5_666 ?
C29 H29 0.9300 . ?
C29 C30 1.359(7) . ?
C30 H30 0.9300 . ?
C30 C31 1.407(7) . ?
C31 C31 1.396(12) 5_666 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ag1 Ag4 92.43(9) . 7_556 ?
C1 Ag1 Ag4 92.43(9) 2_656 7_556 ?
C1 Ag1 C1 175.13(18) 2_656 . ?
C2 Ag2 Ag3 92.39(9) . 7 ?
C2 Ag2 Ag3 92.39(9) 2_655 7 ?
C2 Ag2 C2 175.21(18) 2_655 . ?
C3 Ag3 Ag2 90.13(9) 2_554 7 ?
C3 Ag3 Ag2 90.13(9) . 7 ?
C3 Ag3 C3 179.74(17) . 2_554 ?
C4 Ag4 Ag1 91.31(9) . 7_556 ?
C4 Ag4 Ag1 91.31(9) 2 7_556 ?
C4 Ag4 C4 177.37(18) 2 . ?
N1 Fe1 N5 90.94(9) . . ?
N1 Fe1 N8 90.18(8) . 4_545 ?
N2 Fe1 N1 87.97(10) . . ?
N2 Fe1 N3 92.14(11) . . ?
N2 Fe1 N4 177.36(9) . . ?
N2 Fe1 N5 89.48(9) . . ?
N2 Fe1 N8 90.94(8) . 4_545 ?
N3 Fe1 N1 179.32(9) . . ?
N3 Fe1 N5 89.73(9) . . ?
N3 Fe1 N8 89.15(8) . 4_545 ?
N4 Fe1 N1 91.23(10) . . ?
N4 Fe1 N3 88.69(11) . . ?
N4 Fe1 N5 88.02(9) . . ?
N4 Fe1 N8 91.57(9) . 4_545 ?
N8 Fe1 N5 178.81(9) 4_545 . ?
C11 O1 C10 101.9(2) . . ?
C1 N1 Fe1 176.7(3) . . ?
C2 N2 Fe1 171.8(3) . . ?
C3 N3 Fe1 174.4(3) . . ?
C4 N4 Fe1 167.8(3) . . ?
C5 N5 Fe1 120.15(18) . . ?
C9 N5 Fe1 123.0(2) . . ?
C9 N5 C5 116.8(2) . . ?
C10 N6 N7 105.9(2) . . ?
C11 N7 N6 105.9(2) . . ?
C14 N8 Fe1 119.03(17) . 4 ?
C14 N8 C15 117.3(2) . . ?
C15 N8 Fe1 123.68(17) . 4 ?
N1 C1 Ag1 177.0(3) . . ?
N2 C2 Ag2 175.1(3) . . ?
N3 C3 Ag3 176.2(3) . . ?
N4 C4 Ag4 177.6(3) . . ?
N5 C5 H5 118.2 . . ?
N5 C5 C6 123.6(3) . . ?
C6 C5 H5 118.2 . . ?
C5 C6 H6 120.7 . . ?
C5 C6 C7 118.6(3) . . ?
C7 C6 H6 120.7 . . ?
C6 C7 C8 118.4(3) . . ?
C6 C7 C10 118.7(3) . . ?
C8 C7 C10 122.9(3) . . ?
C7 C8 H8 121.0 . . ?
C9 C8 C7 118.0(3) . . ?
C9 C8 H8 121.0 . . ?
N5 C9 C8 124.5(3) . . ?
N5 C9 H9 117.7 . . ?
C8 C9 H9 117.7 . . ?
O1 C10 C7 121.0(2) . . ?
N6 C10 O1 113.2(2) . . ?
N6 C10 C7 125.8(3) . . ?
O1 C11 C12 121.3(2) . . ?
N7 C11 O1 113.0(2) . . ?
N7 C11 C12 125.6(2) . . ?
C13 C12 C11 117.6(2) . . ?
C13 C12 C16 118.7(2) . . ?
C16 C12 C11 123.7(2) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 C12 119.1(3) . . ?
C14 C13 H13 120.4 . . ?
N8 C14 C13 123.3(2) . . ?
N8 C14 H14 118.4 . . ?
C13 C14 H14 118.4 . . ?
N8 C15 H15 118.2 . . ?
N8 C15 C16 123.5(2) . . ?
C16 C15 H15 118.2 . . ?
C12 C16 H16 121.0 . . ?
C15 C16 C12 118.1(2) . . ?
C15 C16 H16 121.0 . . ?
C18 C17 H17 119.9 . . ?
C18 C17 C26 120.3(5) . . ?
C26 C17 H17 119.9 . . ?
F1 C18 C17 115.6(8) . . ?
F1 C18 C19 121.5(9) . . ?
C17 C18 H18 118.6 . . ?
C17 C18 C19 122.8(6) . . ?
C19 C18 H18 118.6 . . ?
C18 C19 H19 120.7 . . ?
C20 C19 C18 118.6(6) . . ?
C20 C19 H19 120.7 . . ?
C19 C20 H20 118.9 . . ?
C19 C20 C21 122.2(5) . . ?
C21 C20 H20 118.9 . . ?
C20 C21 C26 118.1(4) . . ?
C22 C21 C20 123.0(4) . . ?
C22 C21 C26 118.9(4) . . ?
C21 C22 H22 120.3 . . ?
C23 C22 C21 119.3(4) . . ?
C23 C22 H22 120.3 . . ?
F2 C23 C22 119.5(5) . . ?
F2 C23 C24 117.1(5) . . ?
C22 C23 H23 118.3 . . ?
C22 C23 C24 123.3(5) . . ?
C24 C23 H23 118.3 . . ?
C23 C24 H24 120.9 . . ?
C25 C24 C23 118.3(4) . . ?
C25 C24 H24 120.9 . . ?
C24 C25 H25 119.7 . . ?
C24 C25 C26 120.7(4) . . ?
C26 C25 H25 119.7 . . ?
C17 C26 C21 118.0(4) . . ?
C25 C26 C17 122.5(5) . . ?
C25 C26 C21 119.5(5) . . ?
C28 C27 H27 122.8 . . ?
C31 C27 H27 122.8 . . ?
C31 C27 C28 114.4(8) . . ?
F3 C28 C27 114.6(8) . . ?
F3 C28 C29 114.1(9) . 5_666 ?
C27 C28 H28 114.4 . . ?
C29 C28 C27 131.3(9) 5_666 . ?
C29 C28 H28 114.4 5_666 . ?
C28 C29 H29 125.1 5_666 . ?
C28 C29 C30 109.8(10) 5_666 . ?
C30 C29 H29 125.1 . . ?
C29 C30 H30 116.9 . . ?
C29 C30 C31 126.3(9) . . ?
C31 C30 H30 116.9 . . ?
C27 C31 C30 121.9(7) . . ?
C27 C31 C31 119.2(9) . 5_666 ?
C31 C31 C30 118.9(9) 5_666 . ?


# start Validation Reply Form
_vrf_PLAT242_1-298K              
;
PROBLEM: Low  'MainMol' Ueq as compared to Neighbors of    C28 Check.  
RESPONSE: The C28 atom is connected to the F3 atom, which is disordered to cause
the differences in thermal ellipsoids.
;
# 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_1-168K
_database_code_depnum_ccdc_archive 'CCDC 1959293'
loop_
_audit_author_name
_audit_author_address
'Cui-Juan Zhang'
;Sun Yat sen University
China
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2019-12-24 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C64 H32 Ag8 Fe4 N32 O4, 6(C10 H7 F)'
_chemical_formula_sum            'C124 H74 Ag8 F6 Fe4 N32 O4'
_chemical_formula_weight         3276.51
_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'
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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   27.9359(9)
_cell_length_b                   17.4453(6)
_cell_length_c                   13.8221(6)
_cell_angle_alpha                67.020(4)
_cell_angle_beta                 76.211(3)
_cell_angle_gamma                87.830(3)
_cell_volume                     6011.4(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    20904
_cell_measurement_temperature    168(2)
_cell_measurement_theta_max      30.0790
_cell_measurement_theta_min      3.7120
_shelx_estimated_absorpt_T_max   0.923
_shelx_estimated_absorpt_T_min   0.870
_exptl_absorpt_coefficient_mu    1.816
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81237
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.810
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3216
_exptl_crystal_size_max          0.085
_exptl_crystal_size_mid          0.064
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0892
_diffrn_reflns_av_unetI/netI     0.1085
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.871
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            100289
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.871
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.660
_diffrn_reflns_theta_min         3.293
_diffrn_ambient_temperature      168(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.871
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15697
_reflns_number_total             32389
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    ?
_computing_publication_material  ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    ?
_refine_diff_density_max         4.039
_refine_diff_density_min         -3.158
_refine_diff_density_rms         0.203
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1621
_refine_ls_number_reflns         32389
_refine_ls_number_restraints     163
_refine_ls_R_factor_all          0.1460
_refine_ls_R_factor_gt           0.0792
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0992P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2128
_refine_ls_wR_factor_ref         0.2652
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C27-C28 = C120-C121 = C121-C122
 1.38 with sigma of 0.01
 C27-C31 = C30-C31 = C30-C29 = C123-C124 = C120-C124
 1.38 with sigma of 0.01
 C123-C122_$2 = C124-C124_$2
 1.38 with sigma of 0.01
 C62-C58 = C58-C59 = C59-C60 = C60-C61
 1.38 with sigma of 0.01
 C91-C92 = C92-C93 = C93-C89 = C89-C90
 1.38 with sigma of 0.01
 F1-C18
 1.35 with sigma of 0.01
 F2-C28
 1.35 with sigma of 0.01
 F3-C49
 1.35 with sigma of 0.01
 F4-C59
 1.35 with sigma of 0.01
 C80-F5
 1.35 with sigma of 0.01
 F6-C90
 1.35 with sigma of 0.01
 C111-F7
 1.35 with sigma of 0.01
 C121-F8
 1.35 with sigma of 0.01
 F2-C27 = F8-C120 = F8-C122
 2.34 with sigma of 0.01
 C30-C28_$1
 2.39 with sigma of 0.02
 C120-C122 = C121-C123_$2 = C124-C123_$2
 2.39 with sigma of 0.02
 C58-C60 = C59-C61 = C59-C62
 2.39 with sigma of 0.02
 C90-C93 = C93-C91 = C92-C89
 2.39 with sigma of 0.01
 F2-C27
 2.34 with sigma of 0.04
 F8-C122
 2.34 with sigma of 0.04
 F8-C120
 2.34 with sigma of 0.04
 F4-C60
 2.34 with sigma of 0.04
 F4-C58
 2.34 with sigma of 0.04
 F6-C89
 2.34 with sigma of 0.04
 C29-C30 \\sim C30-C31 \\sim C31-C31_$1 \\sim C31_$1-C27_$1 \\sim C27_$1-C28_$1
\\sim C28_$1-C29
 with sigma of 0.01
 C29-C31 \\sim C29-C27_$1 \\sim C30-C28_$1 \\sim C30-C31_$1 \\sim C31-C27_$1
\\sim C31_$1-C28_$1
 with sigma of 0.02
3. Restrained planarity
 F8, C121, C122, C123, C124
 with sigma of 0.1
4. Rigid bond restraints
 N3, C3
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C122, C121
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
N3 \\sim C3: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
F2 \\sim C28 \\sim C27: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
F4 \\sim C59 \\sim C58 \\sim C60: within 3.8A with sigma of 0.01 and sigma for
terminal atoms of 0.02
F8 \\sim C121 \\sim C122: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C122) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
6. Others
 Fixed Sof: F2(0.5) H28(0.5) F4(0.5) H59(0.5) F6(0.5) H90(0.5) F8(0.5) H121(0.5)
7.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C8(H8), C9(H9), C13(H13), C14(H14), C15(H15), C16(H16),
 C36(H36), C37(H37), C39(H39), C40(H40), C44(H44), C45(H45), C46(H46), C47(H47),
  C67(H67), C68(H68), C70(H70), C71(H71), C75(H75), C76(H76), C77(H77),
 C78(H78), C98(H98), C99(H99), C101(H101), C102(H102), C106(H106), C107(H107),
 C108(H108), C109(H109), C17(H17), C19(H19), C20(H20), C22(H22), C23(H23),
 C24(H24), C25(H25), C27(H27), C28(H28), C29(H29), C30(H30), C48(H48), C50(H50),
  C51(H51), C53(H53), C54(H54), C55(H55), C56(H56), C58(H58), C59(H59),
 C60(H60), C61(H61), C79(H79), C81(H81), C82(H82), C84(H84), C85(H85), C86(H86),
  C87(H87), C89(H89), C90(H90), C91(H91), C92(H92), C110(H110), C112(H112),
 C113(H113), C115(H115), C116(H116), C117(H117), C118(H118), C120(H120),
 C121(H121), C122(H122), C123(H123)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.41316(2) -0.23152(3) 0.65890(4) 0.03034(15) Uani 1 1 d . . . . .
Ag2 Ag 0.64092(2) 0.07354(3) 0.39292(5) 0.03213(15) Uani 1 1 d . . . . .
Ag3 Ag 0.64465(2) 0.06052(3) -0.10259(4) 0.02943(14) Uani 1 1 d . . . . .
Ag4 Ag 0.41239(2) -0.23076(3) 0.15890(5) 0.02927(14) Uani 1 1 d . . . . .
Ag5 Ag 0.90530(2) 0.26699(3) 0.66241(5) 0.03408(15) Uani 1 1 d . . . . .
Ag6 Ag 0.90598(2) 0.26623(3) 0.16661(4) 0.03453(16) Uani 1 1 d . . . . .
Ag7 Ag 1.15231(2) 0.56284(4) 0.38956(4) 0.03418(15) Uani 1 1 d . . . . .
Ag8 Ag 1.14942(2) 0.57635(4) 0.88609(5) 0.03730(16) Uani 1 1 d . . . . .
Fe1 Fe 0.28394(3) 0.66166(5) 0.02572(6) 0.0158(2) Uani 1 1 d . . . . .
Fe2 Fe 0.52983(3) -0.08755(5) 0.27959(6) 0.01488(19) Uani 1 1 d . . . . .
Fe3 Fe 0.77524(3) 0.16267(5) 0.53060(6) 0.0155(2) Uani 1 1 d . . . . .
Fe4 Fe 1.02983(3) 0.41226(5) 0.77947(6) 0.0163(2) Uani 1 1 d . . . . .
O1 O 0.18363(15) 1.0584(3) -0.0952(3) 0.0239(10) Uani 1 1 d . . . . .
O2 O 0.38093(16) 0.2591(2) 0.1555(4) 0.0239(10) Uani 1 1 d . . . . .
O3 O 0.67905(15) -0.4360(2) 0.4049(3) 0.0209(9) Uani 1 1 d . . . . .
O4 O 0.87548(16) 0.7627(3) 0.6536(4) 0.0254(10) Uani 1 1 d . . . . .
N1 N 0.23442(19) 0.6397(3) -0.0394(4) 0.0214(11) Uani 1 1 d . . . . .
N2 N 0.2342(2) 0.6284(3) 0.1654(4) 0.0236(12) Uani 1 1 d . . . . .
N3 N 0.33296(19) 0.6878(3) 0.0912(4) 0.0224(11) Uani 1 1 d . U . . .
N4 N 0.33392(18) 0.6934(3) -0.1137(4) 0.0205(11) Uani 1 1 d . . . . .
N5 N 0.26511(19) 0.7800(3) -0.0170(4) 0.0205(11) Uani 1 1 d . . . . .
N6 N 0.2609(2) 1.0900(3) -0.1044(4) 0.0268(13) Uani 1 1 d . . . . .
N7 N 0.23518(19) 1.1632(3) -0.1269(4) 0.0252(12) Uani 1 1 d . . . . .
N8 N 0.08140(19) 1.3170(3) -0.1882(4) 0.0228(12) Uani 1 1 d . . . . .
N9 N 0.48947(18) -0.1467(3) 0.4264(4) 0.0222(12) Uani 1 1 d . . . . .
N10 N 0.49210(19) -0.1489(3) 0.2264(4) 0.0197(11) Uani 1 1 d . . . . .
N11 N 0.57084(18) -0.0288(3) 0.1315(4) 0.0209(11) Uani 1 1 d . . . . .
N12 N 0.56633(19) -0.0216(3) 0.3306(4) 0.0240(12) Uani 1 1 d . . . . .
N13 N 0.48038(18) 0.0005(3) 0.2525(4) 0.0165(10) Uani 1 1 d . . . . .
N14 N 0.32745(19) 0.1577(3) 0.1892(4) 0.0244(12) Uani 1 1 d . . . . .
N15 N 0.30359(19) 0.2322(3) 0.1613(4) 0.0252(12) Uani 1 1 d . . . . .
N16 N 0.30279(17) 0.5433(3) 0.0659(4) 0.0161(10) Uani 1 1 d . . . . .
N17 N 0.72477(19) 0.1408(3) 0.4651(4) 0.0209(11) Uani 1 1 d . . . . .
N18 N 0.72522(19) 0.1286(3) 0.6710(4) 0.0200(11) Uani 1 1 d . . . . .
N19 N 0.82364(19) 0.1877(3) 0.5952(4) 0.0240(12) Uani 1 1 d . . . . .
N20 N 0.82443(19) 0.1940(3) 0.3928(4) 0.0229(12) Uani 1 1 d . . . . .
N21 N 0.75705(19) -0.7182(3) 0.4899(4) 0.0215(12) Uani 1 1 d . . . . .
N22 N 0.75631(19) -0.4067(3) 0.3941(5) 0.0265(13) Uani 1 1 d . . . . .
N23 N 0.7318(2) -0.3328(3) 0.3718(4) 0.0263(13) Uani 1 1 d . . . . .
N24 N 0.57839(18) -0.1761(3) 0.3094(4) 0.0186(11) Uani 1 1 d . . . . .
N25 N 0.9856(2) 0.3483(3) 0.9383(5) 0.0309(14) Uani 1 1 d . . . . .
N26 N 0.9891(2) 0.3449(4) 0.7232(5) 0.0285(13) Uani 1 1 d . . . . .
N27 N 1.0746(2) 0.4756(3) 0.6202(5) 0.0293(13) Uani 1 1 d . . . . .
N28 N 1.0694(2) 0.4846(4) 0.8301(5) 0.0289(13) Uani 1 1 d . . . . .
N29 N 0.97639(19) 0.5064(3) 0.7498(4) 0.0248(12) Uani 1 1 d . . . . .
N30 N 0.8219(2) 0.6591(3) 0.6882(4) 0.0267(13) Uani 1 1 d . . . . .
N31 N 0.7979(2) 0.7340(3) 0.6617(4) 0.0267(13) Uani 1 1 d . . . . .
N32 N 0.79474(18) 1.0443(3) 0.5695(4) 0.0210(11) Uani 1 1 d . . . . .
C1 C 0.2039(2) 0.6218(4) -0.0692(6) 0.0308(16) Uani 1 1 d . . . . .
C2 C 0.2053(3) 0.6078(4) 0.2438(6) 0.0326(17) Uani 1 1 d . . . . .
C3 C 0.3609(2) 0.7139(4) 0.1201(6) 0.0264(14) Uani 1 1 d . U . . .
C4 C 0.3620(2) 0.7155(4) -0.1934(5) 0.0271(15) Uani 1 1 d . . . . .
C5 C 0.2994(2) 0.8436(4) -0.0605(5) 0.0243(14) Uani 1 1 d . . . . .
H5 H 0.3330 0.8309 -0.0754 0.029 Uiso 1 1 calc R . . . .
C6 C 0.2893(2) 0.9255(4) -0.0849(5) 0.0260(15) Uani 1 1 d . . . . .
H6 H 0.3152 0.9680 -0.1149 0.031 Uiso 1 1 calc R . . . .
C7 C 0.2401(2) 0.9446(4) -0.0645(5) 0.0235(14) Uani 1 1 d . . . . .
C8 C 0.2045(3) 0.8818(4) -0.0225(6) 0.0315(16) Uani 1 1 d . . . . .
H8 H 0.1706 0.8933 -0.0091 0.038 Uiso 1 1 calc R . . . .
C9 C 0.2184(2) 0.8006(4) 0.0005(6) 0.0271(15) Uani 1 1 d . . . . .
H9 H 0.1931 0.7571 0.0306 0.032 Uiso 1 1 calc R . . . .
C10 C 0.2295(3) 1.0318(4) -0.0870(5) 0.0263(15) Uani 1 1 d . . . . .
C11 C 0.1909(2) 1.1415(4) -0.1204(5) 0.0226(14) Uani 1 1 d . . . . .
C12 C 0.1519(2) 1.1986(4) -0.1421(5) 0.0230(14) Uani 1 1 d . . . . .
C13 C 0.1643(2) 1.2834(4) -0.1812(5) 0.0212(13) Uani 1 1 d . . . . .
H13 H 0.1976 1.3019 -0.1930 0.025 Uiso 1 1 calc R . . . .
C14 C 0.1297(2) 1.3400(4) -0.2029(5) 0.0252(14) Uani 1 1 d . . . . .
H14 H 0.1393 1.3976 -0.2291 0.030 Uiso 1 1 calc R . . . .
C15 C 0.0690(2) 1.2344(4) -0.1510(5) 0.0265(15) Uani 1 1 d . . . . .
H15 H 0.0356 1.2173 -0.1402 0.032 Uiso 1 1 calc R . . . .
C16 C 0.1030(3) 1.1738(4) -0.1278(5) 0.0283(15) Uani 1 1 d . . . . .
H16 H 0.0930 1.1164 -0.1026 0.034 Uiso 1 1 calc R . . . .
C32 C 0.4649(2) -0.1795(4) 0.5115(5) 0.0275(15) Uani 1 1 d . . . . .
C33 C 0.4652(2) -0.1798(4) 0.2001(6) 0.0258(14) Uani 1 1 d . . . . .
C34 C 0.5954(2) 0.0049(4) 0.0468(5) 0.0286(15) Uani 1 1 d . . . . .
C35 C 0.5904(2) 0.0158(4) 0.3534(6) 0.0285(15) Uani 1 1 d . . . . .
C36 C 0.4317(2) -0.0235(4) 0.2834(5) 0.0237(14) Uani 1 1 d . . . . .
H36 H 0.4219 -0.0812 0.3199 0.028 Uiso 1 1 calc R . . . .
C37 C 0.3963(2) 0.0334(4) 0.2633(5) 0.0233(14) Uani 1 1 d . . . . .
H37 H 0.3623 0.0151 0.2866 0.028 Uiso 1 1 calc R . . . .
C38 C 0.4105(2) 0.1186(4) 0.2084(5) 0.0197(13) Uani 1 1 d . . . . .
C39 C 0.4606(2) 0.1423(4) 0.1774(5) 0.0265(15) Uani 1 1 d . . . . .
H39 H 0.4716 0.1996 0.1410 0.032 Uiso 1 1 calc R . . . .
C40 C 0.4939(3) 0.0824(4) 0.1999(6) 0.0269(15) Uani 1 1 d . . . . .
H40 H 0.5280 0.0993 0.1776 0.032 Uiso 1 1 calc R . . . .
C41 C 0.3715(2) 0.1764(4) 0.1843(5) 0.0215(13) Uani 1 1 d . . . . .
C42 C 0.3363(2) 0.2898(4) 0.1428(5) 0.0234(14) Uani 1 1 d . . . . .
C43 C 0.3273(2) 0.3780(4) 0.1161(5) 0.0199(13) Uani 1 1 d . . . . .
C44 C 0.2785(2) 0.3988(4) 0.1214(5) 0.0232(14) Uani 1 1 d . . . . .
H44 H 0.2528 0.3576 0.1403 0.028 Uiso 1 1 calc R . . . .
C45 C 0.2687(2) 0.4812(4) 0.0981(5) 0.0234(14) Uani 1 1 d . . . . .
H45 H 0.2351 0.4949 0.1056 0.028 Uiso 1 1 calc R . . . .
C46 C 0.3503(2) 0.5213(4) 0.0622(5) 0.0207(13) Uani 1 1 d . . . . .
H46 H 0.3754 0.5638 0.0415 0.025 Uiso 1 1 calc R . . . .
C47 C 0.3635(2) 0.4397(4) 0.0873(5) 0.0217(14) Uani 1 1 d . . . . .
H47 H 0.3970 0.4265 0.0848 0.026 Uiso 1 1 calc R . . . .
C63 C 0.6948(2) 0.1225(4) 0.4341(6) 0.0273(15) Uani 1 1 d . . . . .
C64 C 0.6969(2) 0.1080(4) 0.7495(5) 0.0261(15) Uani 1 1 d . . . . .
C65 C 0.8529(2) 0.2127(4) 0.6227(6) 0.0279(15) Uani 1 1 d . . . . .
C66 C 0.8538(3) 0.2147(4) 0.3141(6) 0.0306(16) Uani 1 1 d . . . . .
C67 C 0.7921(2) -0.6555(4) 0.4432(5) 0.0250(14) Uani 1 1 d . . . . .
H67 H 0.8255 -0.6692 0.4272 0.030 Uiso 1 1 calc R . . . .
C68 C 0.7828(2) -0.5727(4) 0.4169(5) 0.0230(14) Uani 1 1 d . . . . .
H68 H 0.8089 -0.5305 0.3846 0.028 Uiso 1 1 calc R . . . .
C69 C 0.7335(2) -0.5529(4) 0.4395(5) 0.0236(14) Uani 1 1 d . . . . .
C70 C 0.6966(2) -0.6160(4) 0.4814(6) 0.0287(16) Uani 1 1 d . . . . .
H70 H 0.6628 -0.6036 0.4930 0.034 Uiso 1 1 calc R . . . .
C71 C 0.7095(2) -0.6959(4) 0.5056(5) 0.0231(14) Uani 1 1 d . . . . .
H71 H 0.6838 -0.7388 0.5353 0.028 Uiso 1 1 calc R . . . .
C72 C 0.7242(2) -0.4647(4) 0.4133(5) 0.0246(15) Uani 1 1 d . . . . .
C73 C 0.6870(2) -0.3541(4) 0.3779(5) 0.0216(13) Uani 1 1 d . . . . .
C74 C 0.6478(2) -0.2967(4) 0.3566(5) 0.0218(14) Uani 1 1 d . . . . .
C75 C 0.6613(2) -0.2121(4) 0.3163(5) 0.0213(13) Uani 1 1 d . . . . .
H75 H 0.6947 -0.1944 0.3044 0.026 Uiso 1 1 calc R . . . .
C76 C 0.6268(2) -0.1544(4) 0.2936(5) 0.0196(13) Uani 1 1 d . . . . .
H76 H 0.6370 -0.0970 0.2657 0.023 Uiso 1 1 calc R . . . .
C77 C 0.5662(2) -0.2580(4) 0.3478(5) 0.0227(14) Uani 1 1 d . . . . .
H77 H 0.5325 -0.2743 0.3595 0.027 Uiso 1 1 calc R . . . .
C78 C 0.5984(2) -0.3202(4) 0.3715(5) 0.0201(13) Uani 1 1 d . . . . .
H78 H 0.5876 -0.3772 0.3972 0.024 Uiso 1 1 calc R . . . .
C94 C 0.9591(2) 0.3157(4) 1.0226(6) 0.0304(16) Uani 1 1 d . . . . .
C95 C 0.9597(3) 0.3156(4) 0.7003(6) 0.0314(16) Uani 1 1 d . . . . .
C96 C 1.1013(3) 0.5094(4) 0.5375(6) 0.0296(15) Uani 1 1 d . . . . .
C97 C 1.0972(3) 0.5207(4) 0.8499(6) 0.0315(16) Uani 1 1 d . . . . .
C98 C 0.9281(2) 0.4824(4) 0.7824(5) 0.0266(15) Uani 1 1 d . . . . .
H98 H 0.9187 0.4247 0.8214 0.032 Uiso 1 1 calc R . . . .
C99 C 0.8916(2) 0.5371(4) 0.7623(6) 0.0294(16) Uani 1 1 d . . . . .
H99 H 0.8579 0.5178 0.7860 0.035 Uiso 1 1 calc R . . . .
C100 C 0.9056(2) 0.6226(4) 0.7055(5) 0.0253(14) Uani 1 1 d . . . . .
C101 C 0.9553(2) 0.6486(4) 0.6746(6) 0.0344(18) Uani 1 1 d . . . . .
H101 H 0.9659 0.7061 0.6394 0.041 Uiso 1 1 calc R . . . .
C102 C 0.9890(3) 0.5875(5) 0.6970(7) 0.041(2) Uani 1 1 d . . . . .
H102 H 1.0231 0.6047 0.6731 0.050 Uiso 1 1 calc R . . . .
C103 C 0.8671(2) 0.6805(4) 0.6824(5) 0.0242(14) Uani 1 1 d . . . . .
C104 C 0.8303(2) 0.7918(4) 0.6427(5) 0.0226(14) Uani 1 1 d . . . . .
C105 C 0.8204(2) 0.8811(4) 0.6162(5) 0.0223(14) Uani 1 1 d . . . . .
C106 C 0.7714(2) 0.9008(4) 0.6216(5) 0.0213(13) Uani 1 1 d . . . . .
H106 H 0.7461 0.8592 0.6395 0.026 Uiso 1 1 calc R . . . .
C107 C 0.7609(2) 0.9820(4) 0.6002(5) 0.0232(14) Uani 1 1 d . . . . .
H107 H 0.7273 0.9951 0.6078 0.028 Uiso 1 1 calc R . . . .
C108 C 0.8425(2) 1.0242(4) 0.5646(5) 0.0208(13) Uani 1 1 d . . . . .
H108 H 0.8672 1.0674 0.5438 0.025 Uiso 1 1 calc R . . . .
C109 C 0.8566(2) 0.9425(4) 0.5889(5) 0.0244(14) Uani 1 1 d . . . . .
H109 H 0.8901 0.9296 0.5866 0.029 Uiso 1 1 calc R . . . .
F1 F 0.2754(2) 1.0533(4) -0.3356(5) 0.089(2) Uani 1 1 d D . . . .
C17 C 0.2160(3) 1.1493(5) -0.3693(6) 0.043(2) Uani 1 1 d . . . . .
H17 H 0.2389 1.1922 -0.3792 0.052 Uiso 1 1 calc R . . . .
C18 C 0.2295(3) 1.0693(6) -0.3449(6) 0.048(2) Uani 1 1 d D . . . .
C19 C 0.1981(4) 1.0028(6) -0.3278(7) 0.050(2) Uani 1 1 d . . . . .
H19 H 0.2095 0.9483 -0.3120 0.060 Uiso 1 1 calc R . . . .
C20 C 0.1504(3) 1.0183(5) -0.3344(7) 0.046(2) Uani 1 1 d . . . . .
H20 H 0.1277 0.9739 -0.3207 0.055 Uiso 1 1 calc R . . . .
C21 C 0.1350(3) 1.1004(5) -0.3614(6) 0.0389(19) Uani 1 1 d . . . . .
C22 C 0.0868(3) 1.1203(5) -0.3727(6) 0.050(2) Uani 1 1 d . . . . .
H22 H 0.0644 1.0762 -0.3612 0.059 Uiso 1 1 calc R . . . .
C23 C 0.0697(4) 1.2000(6) -0.3993(7) 0.063(3) Uani 1 1 d . . . . .
H23 H 0.0368 1.2106 -0.4065 0.076 Uiso 1 1 calc R . . . .
C24 C 0.1029(4) 1.2630(6) -0.4148(6) 0.053(2) Uani 1 1 d . . . . .
H24 H 0.0927 1.3183 -0.4319 0.064 Uiso 1 1 calc R . . . .
C25 C 0.1505(4) 1.2467(5) -0.4059(6) 0.049(2) Uani 1 1 d . . . . .
H25 H 0.1726 1.2915 -0.4183 0.058 Uiso 1 1 calc R . . . .
C26 C 0.1675(3) 1.1672(5) -0.3795(6) 0.0379(18) Uani 1 1 d . . . . .
C27 C 0.0345(3) 0.9689(6) -0.1074(7) 0.078(3) Uani 1 1 d D U . . .
H27 H 0.0381 0.9824 -0.1825 0.093 Uiso 1 1 calc R . . . .
F2 F 0.0960(5) 0.8718(9) -0.0954(13) 0.135(5) Uani 0.5 1 d D U P A 1
C28 C 0.0609(4) 0.9073(6) -0.0497(7) 0.081(3) Uani 1 1 d D U . . .
H28 H 0.0832 0.8796 -0.0868 0.097 Uiso 0.5 1 calc R . P A 2
C29 C -0.0565(3) 1.1160(6) -0.0594(8) 0.083(4) Uani 1 1 d D . . . .
H29 H -0.0756 1.1581 -0.0973 0.099 Uiso 1 1 calc R . . . .
C30 C -0.0232(3) 1.0758(5) -0.1117(6) 0.074(3) Uani 1 1 d D . . . .
H30 H -0.0178 1.0928 -0.1879 0.088 Uiso 1 1 calc R . . . .
C31 C 0.0026(3) 1.0111(4) -0.0552(3) 0.054(2) Uani 1 1 d D . . . .
F3 F 0.3369(2) 0.1127(4) 0.4472(5) 0.090(2) Uani 1 1 d D . . . .
C48 C 0.3189(3) 0.2488(5) 0.4041(6) 0.0391(19) Uani 1 1 d . . . . .
H48 H 0.2861 0.2348 0.4064 0.047 Uiso 1 1 calc R . . . .
C49 C 0.3504(3) 0.1912(5) 0.4242(7) 0.044(2) Uani 1 1 d D . . . .
C50 C 0.4009(3) 0.2066(6) 0.4220(6) 0.048(2) Uani 1 1 d . . . . .
H50 H 0.4228 0.1628 0.4357 0.057 Uiso 1 1 calc R . . . .
C51 C 0.4158(3) 0.2848(5) 0.3999(6) 0.0371(18) Uani 1 1 d . . . . .
H51 H 0.4487 0.2964 0.3999 0.045 Uiso 1 1 calc R . . . .
C52 C 0.3839(3) 0.3505(5) 0.3767(6) 0.0348(18) Uani 1 1 d . . . . .
C53 C 0.3971(3) 0.4322(5) 0.3554(6) 0.0399(19) Uani 1 1 d . . . . .
H53 H 0.4298 0.4439 0.3572 0.048 Uiso 1 1 calc R . . . .
C54 C 0.3668(3) 0.4983(7) 0.3319(6) 0.054(3) Uani 1 1 d . . . . .
H54 H 0.3781 0.5538 0.3153 0.064 Uiso 1 1 calc R . . . .
C55 C 0.3174(3) 0.4775(6) 0.3342(6) 0.049(2) Uani 1 1 d . . . . .
H55 H 0.2947 0.5201 0.3194 0.058 Uiso 1 1 calc R . . . .
C56 C 0.3020(3) 0.3960(6) 0.3576(6) 0.043(2) Uani 1 1 d . . . . .
H56 H 0.2689 0.3838 0.3590 0.051 Uiso 1 1 calc R . . . .
C57 C 0.3339(3) 0.3328(5) 0.3787(6) 0.0338(17) Uani 1 1 d . . . . .
F4 F 0.5137(6) 0.2932(9) 0.2131(12) 0.159(6) Uani 0.5 1 d D U P B 1
C58 C 0.4968(4) 0.4320(6) 0.1414(7) 0.075(3) Uani 1 1 d D U . . .
H58 H 0.4864 0.4319 0.2121 0.090 Uiso 1 1 calc R . . . .
C59 C 0.5165(4) 0.3630(6) 0.1266(8) 0.079(3) Uani 1 1 d D U . . .
H59 H 0.5204 0.3172 0.1895 0.095 Uiso 0.5 1 calc R . P B 2
C60 C 0.5313(4) 0.3535(7) 0.0300(8) 0.083(3) Uani 1 1 d D U . . .
H60 H 0.5430 0.3030 0.0249 0.100 Uiso 1 1 calc R . . . .
C61 C 0.5275(3) 0.4239(7) -0.0593(8) 0.072(3) Uani 1 1 d D . . . .
H61 H 0.5386 0.4225 -0.1290 0.086 Uiso 1 1 calc R . . . .
C62 C 0.4922(3) 0.5017(6) 0.0523(7) 0.057(2) Uani 1 1 d D . . . .
F5 F 0.7737(2) -0.4448(4) 0.1650(5) 0.090(2) Uani 1 1 d D . . . .
C79 C 0.7145(3) -0.3494(5) 0.1309(6) 0.0385(18) Uani 1 1 d . . . . .
H79 H 0.7378 -0.3065 0.1193 0.046 Uiso 1 1 calc R . . . .
C80 C 0.7275(3) -0.4273(6) 0.1558(6) 0.046(2) Uani 1 1 d D . . . .
C81 C 0.6959(3) -0.4941(5) 0.1728(6) 0.042(2) Uani 1 1 d . . . . .
H81 H 0.7074 -0.5485 0.1878 0.051 Uiso 1 1 calc R . . . .
C82 C 0.6485(3) -0.4793(5) 0.1673(7) 0.046(2) Uani 1 1 d . . . . .
H82 H 0.6260 -0.5241 0.1817 0.055 Uiso 1 1 calc R . . . .
C83 C 0.6322(3) -0.3970(5) 0.1400(6) 0.0358(18) Uani 1 1 d . . . . .
C84 C 0.5851(3) -0.3765(5) 0.1263(6) 0.0406(19) Uani 1 1 d . . . . .
H84 H 0.5623 -0.4192 0.1356 0.049 Uiso 1 1 calc R . . . .
C85 C 0.5702(4) -0.2954(6) 0.0996(7) 0.050(2) Uani 1 1 d . . . . .
H85 H 0.5376 -0.2835 0.0919 0.060 Uiso 1 1 calc R . . . .
C86 C 0.6026(3) -0.2333(5) 0.0843(6) 0.044(2) Uani 1 1 d . . . . .
H86 H 0.5922 -0.1781 0.0674 0.053 Uiso 1 1 calc R . . . .
C87 C 0.6509(3) -0.2499(5) 0.0933(6) 0.045(2) Uani 1 1 d . . . . .
H87 H 0.6735 -0.2054 0.0798 0.054 Uiso 1 1 calc R . . . .
C88 C 0.6664(3) -0.3308(5) 0.1218(6) 0.0353(17) Uani 1 1 d . . . . .
F6 F 0.5943(6) -0.6287(10) 0.3977(14) 0.142(7) Uani 0.5 1 d D . P C 1
C89 C 0.5365(3) -0.5261(6) 0.3892(7) 0.065(3) Uani 1 1 d D . . . .
H89 H 0.5427 -0.5077 0.3127 0.078 Uiso 1 1 calc R . . . .
C90 C 0.5602(4) -0.5923(6) 0.4471(9) 0.073(3) Uani 1 1 d D . . . .
H90 H 0.5815 -0.6208 0.4095 0.088 Uiso 0.5 1 calc R . P C 2
C91 C 0.4453(3) -0.3814(6) 0.4444(9) 0.074(3) Uani 1 1 d D . . . .
H91 H 0.4270 -0.3373 0.4074 0.088 Uiso 1 1 calc R . . . .
C92 C 0.4782(3) -0.4201(5) 0.3887(7) 0.066(3) Uani 1 1 d D . . . .
H92 H 0.4835 -0.4009 0.3123 0.080 Uiso 1 1 calc R . . . .
C93 C 0.5034(3) -0.4866(5) 0.4433(6) 0.055(2) Uani 1 1 d D . . . .
F7 F 0.8320(3) 0.6116(4) 0.9454(5) 0.090(2) Uani 1 1 d D . . . .
C110 C 0.8132(3) 0.7491(5) 0.9043(6) 0.0417(19) Uani 1 1 d . . . . .
H110 H 0.7802 0.7352 0.9067 0.050 Uiso 1 1 calc R . . . .
C111 C 0.8458(3) 0.6902(5) 0.9243(6) 0.046(2) Uani 1 1 d D . . . .
C112 C 0.8961(3) 0.7056(5) 0.9218(6) 0.046(2) Uani 1 1 d . . . . .
H112 H 0.9180 0.6618 0.9360 0.055 Uiso 1 1 calc R . . . .
C113 C 0.9111(3) 0.7845(6) 0.8985(6) 0.041(2) Uani 1 1 d . . . . .
H113 H 0.9442 0.7961 0.8972 0.049 Uiso 1 1 calc R . . . .
C114 C 0.8795(3) 0.8501(5) 0.8762(6) 0.041(2) Uani 1 1 d . . . . .
C115 C 0.8922(3) 0.9319(6) 0.8564(7) 0.048(2) Uani 1 1 d . . . . .
H115 H 0.9248 0.9427 0.8591 0.057 Uiso 1 1 calc R . . . .
C116 C 0.8622(3) 1.0019(7) 0.8323(7) 0.066(3) Uani 1 1 d . . . . .
H116 H 0.8732 1.0572 0.8168 0.079 Uiso 1 1 calc R . . . .
C117 C 0.8129(4) 0.9777(6) 0.8346(7) 0.052(2) Uani 1 1 d . . . . .
H117 H 0.7901 1.0198 0.8181 0.063 Uiso 1 1 calc R . . . .
C118 C 0.7973(3) 0.8965(6) 0.8595(6) 0.048(2) Uani 1 1 d . . . . .
H118 H 0.7638 0.8854 0.8628 0.058 Uiso 1 1 calc R . . . .
C119 C 0.8281(3) 0.8298(5) 0.8803(5) 0.0348(17) Uani 1 1 d . . . . .
F8 F 0.9470(6) 1.2065(7) 0.4772(13) 0.212(8) Uani 0.5 1 d D U P D 1
C120 C 0.9691(4) 1.0707(6) 0.5577(8) 0.079(3) Uani 1 1 d D . . . .
H120 H 0.9550 1.0722 0.6266 0.095 Uiso 1 1 calc R . . . .
C121 C 0.9674(3) 1.1389(6) 0.4656(9) 0.102(4) Uani 1 1 d D U . . .
H121 H 0.9534 1.1867 0.4750 0.122 Uiso 0.5 1 calc R . P D 2
C122 C 0.9841(4) 1.1447(7) 0.3593(9) 0.106(4) Uani 1 1 d D U . . .
H122 H 0.9816 1.1922 0.2969 0.128 Uiso 1 1 calc R . . . .
C123 C 0.9948(4) 0.9290(6) 0.6431(7) 0.080(3) Uani 1 1 d D . . . .
H123 H 0.9820 0.9313 0.7120 0.096 Uiso 1 1 calc R . . . .
C124 C 0.9913(3) 0.9993(5) 0.5517(4) 0.055(2) Uani 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag2 3.0083(7) 2_656 ?
Ag1 C4 2.074(7) 1_546 ?
Ag1 C32 2.077(6) . ?
Ag2 Ag1 3.0083(7) 2_656 ?
Ag2 C35 2.050(7) . ?
Ag2 C63 2.051(7) . ?
Ag3 Ag4 3.2238(7) 2_655 ?
Ag3 C34 2.069(7) . ?
Ag3 C64 2.084(7) 1_554 ?
Ag4 Ag3 3.2239(7) 2_655 ?
Ag4 C3 2.042(6) 1_545 ?
Ag4 C33 2.047(7) . ?
Ag5 Ag7 3.2316(7) 2_766 ?
Ag5 C65 2.058(7) . ?
Ag5 C95 2.031(7) . ?
Ag6 Ag8 3.0203(7) 2_766 ?
Ag6 C66 2.083(7) . ?
Ag6 C94 2.062(7) 1_554 ?
Ag7 Ag5 3.2316(7) 2_766 ?
Ag7 C2 2.073(7) 1_655 ?
Ag7 C96 2.074(7) . ?
Ag8 Ag6 3.0203(7) 2_766 ?
Ag8 C1 2.062(7) 1_656 ?
Ag8 C97 2.038(7) . ?
Fe1 N1 1.942(5) . ?
Fe1 N2 1.975(5) . ?
Fe1 N3 1.965(6) . ?
Fe1 N4 1.978(5) . ?
Fe1 N5 2.001(5) . ?
Fe1 N16 2.003(4) . ?
Fe2 N9 1.954(5) . ?
Fe2 N10 1.966(6) . ?
Fe2 N11 1.971(5) . ?
Fe2 N12 1.981(6) . ?
Fe2 N13 2.011(4) . ?
Fe2 N24 2.002(4) . ?
Fe3 N17 1.968(5) . ?
Fe3 N18 1.986(5) . ?
Fe3 N19 1.935(6) . ?
Fe3 N20 1.952(5) . ?
Fe3 N21 2.009(5) 1_565 ?
Fe3 N32 2.009(5) 1_545 ?
Fe4 N8 2.140(5) 1_646 ?
Fe4 N25 2.119(6) . ?
Fe4 N26 2.125(6) . ?
Fe4 N27 2.127(6) . ?
Fe4 N28 2.114(6) . ?
Fe4 N29 2.162(5) . ?
O1 C10 1.362(7) . ?
O1 C11 1.364(7) . ?
O2 C41 1.356(7) . ?
O2 C42 1.362(7) . ?
O3 C72 1.353(7) . ?
O3 C73 1.341(7) . ?
O4 C103 1.344(8) . ?
O4 C104 1.363(7) . ?
N1 C1 1.132(8) . ?
N2 C2 1.122(8) . ?
N3 C3 1.137(8) . ?
N4 C4 1.121(8) . ?
N5 C5 1.339(8) . ?
N5 C9 1.331(7) . ?
N6 N7 1.404(6) . ?
N6 C10 1.278(9) . ?
N7 C11 1.280(8) . ?
N8 Fe4 2.141(5) 1_464 ?
N8 C14 1.367(8) . ?
N8 C15 1.354(8) . ?
N9 C32 1.141(8) . ?
N10 C33 1.141(8) . ?
N11 C34 1.139(8) . ?
N12 C35 1.129(8) . ?
N13 C36 1.353(8) . ?
N13 C40 1.347(8) . ?
N14 N15 1.395(6) . ?
N14 C41 1.264(8) . ?
N15 C42 1.291(9) . ?
N16 C45 1.334(8) . ?
N16 C46 1.361(7) . ?
N17 C63 1.133(8) . ?
N18 C64 1.113(8) . ?
N19 C65 1.143(8) . ?
N20 C66 1.131(8) . ?
N21 Fe3 2.009(5) 1_545 ?
N21 C67 1.343(8) . ?
N21 C71 1.361(7) . ?
N22 N23 1.395(6) . ?
N22 C72 1.283(9) . ?
N23 C73 1.293(8) . ?
N24 C76 1.362(7) . ?
N24 C77 1.341(8) . ?
N25 C94 1.155(8) . ?
N26 C95 1.149(9) . ?
N27 C96 1.145(8) . ?
N28 C97 1.162(9) . ?
N29 C98 1.344(8) . ?
N29 C102 1.330(9) . ?
N30 N31 1.403(6) . ?
N30 C103 1.306(8) . ?
N31 C104 1.287(8) . ?
N32 Fe3 2.009(5) 1_565 ?
N32 C107 1.334(8) . ?
N32 C108 1.359(7) . ?
C1 Ag8 2.062(7) 1_454 ?
C2 Ag7 2.073(7) 1_455 ?
C3 Ag4 2.042(6) 1_565 ?
C4 Ag1 2.074(7) 1_564 ?
C5 C6 1.368(8) . ?
C6 C7 1.391(8) . ?
C7 C8 1.356(9) . ?
C7 C10 1.462(8) . ?
C8 C9 1.388(9) . ?
C11 C12 1.453(8) . ?
C12 C13 1.387(9) . ?
C12 C16 1.393(9) . ?
C13 C14 1.355(8) . ?
C15 C16 1.388(8) . ?
C36 C37 1.373(8) . ?
C37 C38 1.402(8) . ?
C38 C39 1.392(8) . ?
C38 C41 1.462(7) . ?
C39 C40 1.364(8) . ?
C42 C43 1.462(8) . ?
C43 C44 1.390(8) . ?
C43 C47 1.376(9) . ?
C44 C45 1.377(8) . ?
C46 C47 1.386(8) . ?
C64 Ag3 2.084(7) 1_556 ?
C67 C68 1.376(8) . ?
C68 C69 1.398(8) . ?
C69 C70 1.384(9) . ?
C69 C72 1.465(8) . ?
C70 C71 1.356(8) . ?
C73 C74 1.460(8) . ?
C74 C75 1.389(8) . ?
C74 C78 1.398(8) . ?
C75 C76 1.365(7) . ?
C77 C78 1.372(8) . ?
C94 Ag6 2.062(7) 1_556 ?
C98 C99 1.370(8) . ?
C99 C100 1.405(9) . ?
C100 C101 1.391(9) . ?
C100 C103 1.451(8) . ?
C101 C102 1.385(9) . ?
C104 C105 1.484(8) . ?
C105 C106 1.391(8) . ?
C105 C109 1.378(9) . ?
C106 C107 1.365(8) . ?
C108 C109 1.396(8) . ?
F1 C18 1.328(7) . ?
C17 C18 1.364(11) . ?
C17 C26 1.405(11) . ?
C18 C19 1.389(12) . ?
C19 C20 1.368(12) . ?
C20 C21 1.409(11) . ?
C21 C22 1.407(12) . ?
C21 C26 1.411(11) . ?
C22 C23 1.389(12) . ?
C23 C24 1.386(14) . ?
C24 C25 1.373(12) . ?
C25 C26 1.385(11) . ?
C27 C28 1.373(6) . ?
C27 C31 1.385(5) . ?
F2 C28 1.305(8) . ?
C28 C29 1.376(7) 2_575 ?
C29 C28 1.376(7) 2_575 ?
C29 C30 1.381(6) . ?
C30 C31 1.385(5) . ?
C31 C31 1.391(7) 2_575 ?
F3 C49 1.328(7) . ?
C48 C49 1.300(10) . ?
C48 C57 1.421(11) . ?
C49 C50 1.435(12) . ?
C50 C51 1.337(12) . ?
C51 C52 1.408(10) . ?
C52 C53 1.386(11) . ?
C52 C57 1.433(10) . ?
C53 C54 1.384(11) . ?
C54 C55 1.433(13) . ?
C55 C56 1.389(12) . ?
C56 C57 1.377(10) . ?
F4 C59 1.320(9) . ?
C58 C59 1.373(8) . ?
C58 C62 1.381(8) . ?
C59 C60 1.373(8) . ?
C60 C61 1.383(8) . ?
C61 C62 1.419(12) 2_665 ?
C62 C61 1.419(12) 2_665 ?
C62 C62 1.430(17) 2_665 ?
F5 C80 1.339(7) . ?
C79 C80 1.324(11) . ?
C79 C88 1.392(11) . ?
C80 C81 1.399(12) . ?
C81 C82 1.353(12) . ?
C82 C83 1.421(10) . ?
C83 C84 1.388(11) . ?
C83 C88 1.433(11) . ?
C84 C85 1.389(11) . ?
C85 C86 1.355(13) . ?
C86 C87 1.395(12) . ?
C87 C88 1.391(10) . ?
F6 C90 1.326(9) . ?
C89 C90 1.373(8) . ?
C89 C93 1.384(7) . ?
C90 C91 1.357(14) 2_646 ?
C91 C90 1.357(14) 2_646 ?
C91 C92 1.383(8) . ?
C92 C93 1.384(7) . ?
C93 C93 1.417(15) 2_646 ?
F7 C111 1.337(7) . ?
C110 C111 1.338(11) . ?
C110 C119 1.372(11) . ?
C111 C112 1.430(12) . ?
C112 C113 1.344(12) . ?
C113 C114 1.401(10) . ?
C114 C115 1.387(11) . ?
C114 C119 1.474(11) . ?
C115 C116 1.429(12) . ?
C116 C117 1.444(14) . ?
C117 C118 1.381(13) . ?
C118 C119 1.400(10) . ?
F8 C121 1.340(8) . ?
C120 C121 1.372(8) . ?
C120 C124 1.393(8) . ?
C121 C122 1.395(8) . ?
C122 C123 1.403(8) 2_776 ?
C123 C122 1.403(8) 2_776 ?
C123 C124 1.396(8) . ?
C124 C124 1.385(9) 2_776 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C4 Ag1 Ag2 89.85(16) 1_546 2_656 ?
C4 Ag1 C32 179.4(2) 1_546 . ?
C32 Ag1 Ag2 90.76(16) . 2_656 ?
C35 Ag2 Ag1 91.96(18) . 2_656 ?
C35 Ag2 C63 175.2(2) . . ?
C63 Ag2 Ag1 92.84(17) . 2_656 ?
C34 Ag3 Ag4 91.98(17) . 2_655 ?
C34 Ag3 C64 175.6(2) . 1_554 ?
C64 Ag3 Ag4 92.38(17) 1_554 2_655 ?
C3 Ag4 Ag3 91.02(17) 1_545 2_655 ?
C3 Ag4 C33 177.7(2) 1_545 . ?
C33 Ag4 Ag3 91.22(17) . 2_655 ?
C65 Ag5 Ag7 90.65(17) . 2_766 ?
C95 Ag5 Ag7 92.40(17) . 2_766 ?
C95 Ag5 C65 176.8(2) . . ?
C66 Ag6 Ag8 88.65(17) . 2_766 ?
C94 Ag6 Ag8 92.55(17) 1_554 2_766 ?
C94 Ag6 C66 178.5(3) 1_554 . ?
C2 Ag7 Ag5 94.46(18) 1_655 2_766 ?
C2 Ag7 C96 175.9(3) 1_655 . ?
C96 Ag7 Ag5 89.64(17) . 2_766 ?
C1 Ag8 Ag6 95.29(18) 1_656 2_766 ?
C97 Ag8 Ag6 89.64(17) . 2_766 ?
C97 Ag8 C1 174.7(3) . 1_656 ?
N1 Fe1 N2 89.5(2) . . ?
N1 Fe1 N3 177.89(19) . . ?
N1 Fe1 N4 90.4(2) . . ?
N1 Fe1 N5 89.4(2) . . ?
N1 Fe1 N16 89.9(2) . . ?
N2 Fe1 N4 179.26(19) . . ?
N2 Fe1 N5 90.9(2) . . ?
N2 Fe1 N16 89.8(2) . . ?
N3 Fe1 N2 90.1(2) . . ?
N3 Fe1 N4 90.0(2) . . ?
N3 Fe1 N5 88.5(2) . . ?
N3 Fe1 N16 92.19(19) . . ?
N4 Fe1 N5 89.9(2) . . ?
N4 Fe1 N16 89.44(19) . . ?
N5 Fe1 N16 179.0(2) . . ?
N9 Fe2 N10 89.6(2) . . ?
N9 Fe2 N11 179.5(2) . . ?
N9 Fe2 N12 90.9(2) . . ?
N9 Fe2 N13 90.00(19) . . ?
N9 Fe2 N24 88.98(19) . . ?
N10 Fe2 N11 90.2(2) . . ?
N10 Fe2 N12 177.62(18) . . ?
N10 Fe2 N13 88.0(2) . . ?
N10 Fe2 N24 92.1(2) . . ?
N11 Fe2 N12 89.2(2) . . ?
N11 Fe2 N13 90.51(19) . . ?
N11 Fe2 N24 90.52(19) . . ?
N12 Fe2 N13 89.7(2) . . ?
N12 Fe2 N24 90.2(2) . . ?
N24 Fe2 N13 179.0(2) . . ?
N17 Fe3 N18 89.1(2) . . ?
N17 Fe3 N21 90.4(2) . 1_565 ?
N17 Fe3 N32 90.2(2) . 1_545 ?
N18 Fe3 N21 90.8(2) . 1_565 ?
N18 Fe3 N32 90.1(2) . 1_545 ?
N19 Fe3 N17 177.95(19) . . ?
N19 Fe3 N18 90.2(2) . . ?
N19 Fe3 N20 90.1(2) . . ?
N19 Fe3 N21 87.7(2) . 1_565 ?
N19 Fe3 N32 91.8(2) . 1_545 ?
N20 Fe3 N17 90.6(2) . . ?
N20 Fe3 N18 179.0(2) . . ?
N20 Fe3 N21 90.2(2) . 1_565 ?
N20 Fe3 N32 88.9(2) . 1_545 ?
N32 Fe3 N21 178.9(2) 1_545 1_565 ?
N8 Fe4 N29 178.6(2) 1_646 . ?
N25 Fe4 N8 89.03(19) . 1_646 ?
N25 Fe4 N26 89.0(2) . . ?
N25 Fe4 N27 179.5(2) . . ?
N25 Fe4 N29 89.7(2) . . ?
N26 Fe4 N8 91.5(2) . 1_646 ?
N26 Fe4 N27 91.0(2) . . ?
N26 Fe4 N29 88.0(2) . . ?
N27 Fe4 N8 90.49(19) . 1_646 ?
N27 Fe4 N29 90.8(2) . . ?
N28 Fe4 N8 90.8(2) . 1_646 ?
N28 Fe4 N25 92.5(2) . . ?
N28 Fe4 N26 177.26(19) . . ?
N28 Fe4 N27 87.6(2) . . ?
N28 Fe4 N29 89.7(2) . . ?
C10 O1 C11 101.2(5) . . ?
C41 O2 C42 101.7(5) . . ?
C73 O3 C72 102.2(5) . . ?
C103 O4 C104 101.9(5) . . ?
C1 N1 Fe1 174.3(6) . . ?
C2 N2 Fe1 177.9(6) . . ?
C3 N3 Fe1 170.6(5) . . ?
C4 N4 Fe1 176.6(5) . . ?
C5 N5 Fe1 121.4(4) . . ?
C9 N5 Fe1 122.7(4) . . ?
C9 N5 C5 115.8(5) . . ?
C10 N6 N7 105.8(5) . . ?
C11 N7 N6 106.0(5) . . ?
C14 N8 Fe4 118.6(4) . 1_464 ?
C15 N8 Fe4 124.1(4) . 1_464 ?
C15 N8 C14 117.3(5) . . ?
C32 N9 Fe2 177.9(5) . . ?
C33 N10 Fe2 171.4(5) . . ?
C34 N11 Fe2 178.6(5) . . ?
C35 N12 Fe2 174.4(6) . . ?
C36 N13 Fe2 118.9(4) . . ?
C40 N13 Fe2 122.5(4) . . ?
C40 N13 C36 118.4(5) . . ?
C41 N14 N15 106.6(5) . . ?
C42 N15 N14 105.8(5) . . ?
C45 N16 Fe1 120.9(4) . . ?
C45 N16 C46 116.3(5) . . ?
C46 N16 Fe1 122.8(4) . . ?
C63 N17 Fe3 174.7(5) . . ?
C64 N18 Fe3 178.4(6) . . ?
C65 N19 Fe3 170.9(5) . . ?
C66 N20 Fe3 177.0(6) . . ?
C67 N21 Fe3 120.7(4) . 1_545 ?
C67 N21 C71 116.2(5) . . ?
C71 N21 Fe3 123.1(4) . 1_545 ?
C72 N22 N23 106.6(5) . . ?
C73 N23 N22 105.0(5) . . ?
C76 N24 Fe2 119.8(4) . . ?
C77 N24 Fe2 123.9(4) . . ?
C77 N24 C76 116.2(5) . . ?
C94 N25 Fe4 175.9(5) . . ?
C95 N26 Fe4 167.1(5) . . ?
C96 N27 Fe4 175.4(6) . . ?
C97 N28 Fe4 170.1(5) . . ?
C98 N29 Fe4 119.0(4) . . ?
C102 N29 Fe4 123.2(5) . . ?
C102 N29 C98 117.7(5) . . ?
C103 N30 N31 104.9(5) . . ?
C104 N31 N30 106.4(5) . . ?
C107 N32 Fe3 120.8(4) . 1_565 ?
C107 N32 C108 117.2(5) . . ?
C108 N32 Fe3 122.0(4) . 1_565 ?
N1 C1 Ag8 174.0(6) . 1_454 ?
N2 C2 Ag7 176.7(6) . 1_455 ?
N3 C3 Ag4 175.0(6) . 1_565 ?
N4 C4 Ag1 174.1(6) . 1_564 ?
N5 C5 C6 124.6(6) . . ?
C5 C6 C7 118.0(6) . . ?
C6 C7 C10 117.9(6) . . ?
C8 C7 C6 118.9(6) . . ?
C8 C7 C10 123.2(6) . . ?
C7 C8 C9 118.8(6) . . ?
N5 C9 C8 123.8(6) . . ?
O1 C10 C7 120.9(6) . . ?
N6 C10 O1 113.7(5) . . ?
N6 C10 C7 125.4(6) . . ?
O1 C11 C12 121.9(6) . . ?
N7 C11 O1 113.4(5) . . ?
N7 C11 C12 124.7(6) . . ?
C13 C12 C11 117.8(6) . . ?
C13 C12 C16 118.0(5) . . ?
C16 C12 C11 124.2(6) . . ?
C14 C13 C12 120.8(6) . . ?
C13 C14 N8 122.2(6) . . ?
N8 C15 C16 122.9(6) . . ?
C15 C16 C12 118.7(6) . . ?
N9 C32 Ag1 173.1(6) . . ?
N10 C33 Ag4 175.2(6) . . ?
N11 C34 Ag3 175.3(6) . . ?
N12 C35 Ag2 172.7(6) . . ?
N13 C36 C37 121.8(6) . . ?
C36 C37 C38 119.6(6) . . ?
C37 C38 C41 117.5(5) . . ?
C39 C38 C37 118.0(5) . . ?
C39 C38 C41 124.5(5) . . ?
C40 C39 C38 119.3(6) . . ?
N13 C40 C39 122.9(6) . . ?
O2 C41 C38 119.9(5) . . ?
N14 C41 O2 113.4(5) . . ?
N14 C41 C38 126.7(6) . . ?
O2 C42 C43 122.2(6) . . ?
N15 C42 O2 112.4(5) . . ?
N15 C42 C43 125.4(6) . . ?
C44 C43 C42 116.2(6) . . ?
C47 C43 C42 124.4(6) . . ?
C47 C43 C44 119.4(5) . . ?
C45 C44 C43 117.7(6) . . ?
N16 C45 C44 124.8(6) . . ?
N16 C46 C47 122.9(6) . . ?
C43 C47 C46 118.8(6) . . ?
N17 C63 Ag2 172.3(6) . . ?
N18 C64 Ag3 175.9(6) . 1_556 ?
N19 C65 Ag5 175.4(6) . . ?
N20 C66 Ag6 173.7(6) . . ?
N21 C67 C68 124.2(6) . . ?
C67 C68 C69 117.6(6) . . ?
C68 C69 C72 117.1(6) . . ?
C70 C69 C68 119.1(5) . . ?
C70 C69 C72 123.7(6) . . ?
C71 C70 C69 118.8(6) . . ?
C70 C71 N21 123.8(6) . . ?
O3 C72 C69 121.6(6) . . ?
N22 C72 O3 112.6(5) . . ?
N22 C72 C69 125.8(6) . . ?
O3 C73 C74 121.4(6) . . ?
N23 C73 O3 113.6(5) . . ?
N23 C73 C74 125.0(6) . . ?
C75 C74 C73 116.7(6) . . ?
C75 C74 C78 118.1(5) . . ?
C78 C74 C73 125.1(6) . . ?
C76 C75 C74 120.2(6) . . ?
N24 C76 C75 122.6(6) . . ?
N24 C77 C78 125.2(6) . . ?
C77 C78 C74 117.6(6) . . ?
N25 C94 Ag6 173.7(6) . 1_556 ?
N26 C95 Ag5 177.4(6) . . ?
N27 C96 Ag7 176.0(6) . . ?
N28 C97 Ag8 175.5(6) . . ?
N29 C98 C99 123.3(6) . . ?
C98 C99 C100 118.3(6) . . ?
C99 C100 C103 118.4(6) . . ?
C101 C100 C99 119.1(5) . . ?
C101 C100 C103 122.5(6) . . ?
C102 C101 C100 117.5(7) . . ?
N29 C102 C101 124.1(7) . . ?
O4 C103 C100 121.7(6) . . ?
N30 C103 O4 113.7(5) . . ?
N30 C103 C100 124.6(6) . . ?
O4 C104 C105 122.0(6) . . ?
N31 C104 O4 113.1(5) . . ?
N31 C104 C105 124.9(6) . . ?
C106 C105 C104 116.2(6) . . ?
C109 C105 C104 123.5(6) . . ?
C109 C105 C106 120.3(6) . . ?
C107 C106 C105 117.6(6) . . ?
N32 C107 C106 124.5(6) . . ?
N32 C108 C109 122.5(6) . . ?
C105 C109 C108 117.8(6) . . ?
C18 C17 C26 118.7(8) . . ?
F1 C18 C17 118.1(9) . . ?
F1 C18 C19 117.6(8) . . ?
C17 C18 C19 124.3(8) . . ?
C20 C19 C18 118.0(8) . . ?
C19 C20 C21 119.7(9) . . ?
C20 C21 C26 121.5(8) . . ?
C22 C21 C20 122.1(8) . . ?
C22 C21 C26 116.4(7) . . ?
C23 C22 C21 124.6(9) . . ?
C24 C23 C22 116.5(10) . . ?
C25 C24 C23 121.0(9) . . ?
C24 C25 C26 122.4(9) . . ?
C17 C26 C21 117.8(7) . . ?
C25 C26 C17 123.1(8) . . ?
C25 C26 C21 119.1(8) . . ?
C28 C27 C31 119.4(6) . . ?
C27 C28 C29 122.8(6) . 2_575 ?
F2 C28 C27 122.9(9) . . ?
F2 C28 C29 113.9(10) . 2_575 ?
C28 C29 C30 117.4(6) 2_575 . ?
C29 C30 C31 121.2(6) . . ?
C27 C31 C31 119.0(6) . 2_575 ?
C30 C31 C27 120.9(5) . . ?
C30 C31 C31 120.1(6) . 2_575 ?
C49 C48 C57 119.8(7) . . ?
F3 C49 C50 115.7(8) . . ?
C48 C49 F3 120.2(8) . . ?
C48 C49 C50 124.0(8) . . ?
C51 C50 C49 117.5(7) . . ?
C50 C51 C52 121.7(7) . . ?
C51 C52 C57 119.2(7) . . ?
C53 C52 C51 124.0(7) . . ?
C53 C52 C57 116.7(6) . . ?
C54 C53 C52 125.6(8) . . ?
C53 C54 C55 115.4(9) . . ?
C56 C55 C54 121.1(8) . . ?
C57 C56 C55 121.0(8) . . ?
C48 C57 C52 117.7(7) . . ?
C56 C57 C48 122.2(7) . . ?
C56 C57 C52 120.1(8) . . ?
C59 C58 C62 119.2(9) . . ?
F4 C59 C58 118.0(11) . . ?
F4 C59 C60 114.3(12) . . ?
C58 C59 C60 126.6(9) . . ?
C59 C60 C61 113.9(9) . . ?
C60 C61 C62 123.5(9) . 2_665 ?
C58 C62 C61 123.3(8) . 2_665 ?
C58 C62 C62 118.1(11) . 2_665 ?
C61 C62 C62 118.5(10) 2_665 2_665 ?
C80 C79 C88 119.6(8) . . ?
F5 C80 C81 116.6(8) . . ?
C79 C80 F5 119.2(9) . . ?
C79 C80 C81 124.2(8) . . ?
C82 C81 C80 118.3(8) . . ?
C81 C82 C83 120.4(9) . . ?
C82 C83 C88 118.7(8) . . ?
C84 C83 C82 123.5(8) . . ?
C84 C83 C88 117.8(7) . . ?
C83 C84 C85 122.1(8) . . ?
C86 C85 C84 119.8(9) . . ?
C85 C86 C87 120.5(8) . . ?
C88 C87 C86 120.7(8) . . ?
C79 C88 C83 118.8(7) . . ?
C87 C88 C79 122.2(8) . . ?
C87 C88 C83 119.0(8) . . ?
C90 C89 C93 119.4(8) . . ?
F6 C90 C89 121.2(12) . . ?
F6 C90 C91 115.5(12) . 2_646 ?
C91 C90 C89 122.9(9) 2_646 . ?
C90 C91 C92 118.6(9) 2_646 . ?
C91 C92 C93 120.7(8) . . ?
C89 C93 C93 118.7(8) . 2_646 ?
C92 C93 C89 121.6(7) . . ?
C92 C93 C93 119.7(8) . 2_646 ?
C111 C110 C119 118.9(8) . . ?
F7 C111 C110 119.4(8) . . ?
F7 C111 C112 116.3(8) . . ?
C110 C111 C112 124.3(8) . . ?
C113 C112 C111 117.3(7) . . ?
C112 C113 C114 122.3(8) . . ?
C113 C114 C119 117.5(8) . . ?
C115 C114 C113 124.8(8) . . ?
C115 C114 C119 117.5(7) . . ?
C114 C115 C116 127.9(8) . . ?
C115 C116 C117 111.3(10) . . ?
C118 C117 C116 123.5(8) . . ?
C117 C118 C119 123.5(8) . . ?
C110 C119 C114 119.7(7) . . ?
C110 C119 C118 124.2(8) . . ?
C118 C119 C114 116.1(8) . . ?
C121 C120 C124 120.9(9) . . ?
F8 C121 C120 117.8(8) . . ?
F8 C121 C122 116.0(8) . . ?
C120 C121 C122 126.3(8) . . ?
C121 C122 C123 110.9(9) . 2_776 ?
C124 C123 C122 124.8(9) . 2_776 ?
C120 C124 C123 123.0(7) . . ?
C124 C124 C120 115.8(9) 2_776 . ?
C124 C124 C123 121.2(10) 2_776 . ?

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
Fe1 N5 C5 C6 -175.4(5) . . . . ?
Fe1 N5 C9 C8 176.1(6) . . . . ?
Fe1 N16 C45 C44 176.1(5) . . . . ?
Fe1 N16 C46 C47 -178.3(5) . . . . ?
Fe2 N13 C36 C37 -177.4(5) . . . . ?
Fe2 N13 C40 C39 177.3(5) . . . . ?
Fe2 N24 C76 C75 177.5(5) . . . . ?
Fe2 N24 C77 C78 -178.3(5) . . . . ?
Fe3 N21 C67 C68 -177.3(5) 1_545 . . . ?
Fe3 N21 C71 C70 178.1(5) 1_545 . . . ?
Fe3 N32 C107 C106 175.8(5) 1_565 . . . ?
Fe3 N32 C108 C109 -178.4(5) 1_565 . . . ?
Fe4 N8 C14 C13 178.1(5) 1_464 . . . ?
Fe4 N8 C15 C16 -178.2(5) 1_464 . . . ?
Fe4 N29 C98 C99 -176.5(5) . . . . ?
Fe4 N29 C102 C101 178.1(6) . . . . ?
O1 C11 C12 C13 -171.4(6) . . . . ?
O1 C11 C12 C16 7.6(10) . . . . ?
O2 C42 C43 C44 -170.7(6) . . . . ?
O2 C42 C43 C47 8.9(10) . . . . ?
O3 C73 C74 C75 -172.2(6) . . . . ?
O3 C73 C74 C78 6.4(9) . . . . ?
O4 C104 C105 C106 -171.7(6) . . . . ?
O4 C104 C105 C109 7.4(10) . . . . ?
N5 C5 C6 C7 -0.8(10) . . . . ?
N6 N7 C11 O1 -0.2(7) . . . . ?
N6 N7 C11 C12 -177.4(6) . . . . ?
N7 N6 C10 O1 -0.2(7) . . . . ?
N7 N6 C10 C7 177.4(6) . . . . ?
N7 C11 C12 C13 5.5(10) . . . . ?
N7 C11 C12 C16 -175.5(7) . . . . ?
N8 C15 C16 C12 0.8(10) . . . . ?
N13 C36 C37 C38 0.7(10) . . . . ?
N14 N15 C42 O2 0.6(7) . . . . ?
N14 N15 C42 C43 -176.7(6) . . . . ?
N15 N14 C41 O2 0.4(8) . . . . ?
N15 N14 C41 C38 179.0(6) . . . . ?
N15 C42 C43 C44 6.4(10) . . . . ?
N15 C42 C43 C47 -174.0(6) . . . . ?
N16 C46 C47 C43 0.8(9) . . . . ?
N21 C67 C68 C69 -0.7(10) . . . . ?
N22 N23 C73 O3 1.5(7) . . . . ?
N22 N23 C73 C74 -177.6(6) . . . . ?
N23 N22 C72 O3 0.5(8) . . . . ?
N23 N22 C72 C69 179.3(6) . . . . ?
N23 C73 C74 C75 6.8(9) . . . . ?
N23 C73 C74 C78 -174.6(6) . . . . ?
N24 C77 C78 C74 1.3(10) . . . . ?
N29 C98 C99 C100 -0.6(11) . . . . ?
N30 N31 C104 O4 0.3(8) . . . . ?
N30 N31 C104 C105 -177.2(6) . . . . ?
N31 N30 C103 O4 -0.5(7) . . . . ?
N31 N30 C103 C100 178.7(6) . . . . ?
N31 C104 C105 C106 5.6(10) . . . . ?
N31 C104 C105 C109 -175.3(7) . . . . ?
N32 C108 C109 C105 1.6(10) . . . . ?
C5 N5 C9 C8 -0.7(10) . . . . ?
C5 C6 C7 C8 -0.6(10) . . . . ?
C5 C6 C7 C10 177.9(6) . . . . ?
C6 C7 C8 C9 1.2(11) . . . . ?
C6 C7 C10 O1 163.4(6) . . . . ?
C6 C7 C10 N6 -14.1(10) . . . . ?
C7 C8 C9 N5 -0.6(11) . . . . ?
C8 C7 C10 O1 -18.2(10) . . . . ?
C8 C7 C10 N6 164.3(7) . . . . ?
C9 N5 C5 C6 1.4(10) . . . . ?
C10 O1 C11 N7 0.0(7) . . . . ?
C10 O1 C11 C12 177.3(6) . . . . ?
C10 N6 N7 C11 0.2(7) . . . . ?
C10 C7 C8 C9 -177.2(6) . . . . ?
C11 O1 C10 N6 0.1(7) . . . . ?
C11 O1 C10 C7 -177.7(6) . . . . ?
C11 C12 C13 C14 -179.8(6) . . . . ?
C11 C12 C16 C15 179.7(6) . . . . ?
C12 C13 C14 N8 -0.4(10) . . . . ?
C13 C12 C16 C15 -1.3(9) . . . . ?
C14 N8 C15 C16 0.0(9) . . . . ?
C15 N8 C14 C13 -0.2(9) . . . . ?
C16 C12 C13 C14 1.2(10) . . . . ?
C36 N13 C40 C39 0.6(10) . . . . ?
C36 C37 C38 C39 -0.9(10) . . . . ?
C36 C37 C38 C41 177.1(6) . . . . ?
C37 C38 C39 C40 0.9(10) . . . . ?
C37 C38 C41 O2 164.2(6) . . . . ?
C37 C38 C41 N14 -14.3(10) . . . . ?
C38 C39 C40 N13 -0.8(11) . . . . ?
C39 C38 C41 O2 -17.9(10) . . . . ?
C39 C38 C41 N14 163.6(7) . . . . ?
C40 N13 C36 C37 -0.6(9) . . . . ?
C41 O2 C42 N15 -0.4(7) . . . . ?
C41 O2 C42 C43 177.1(6) . . . . ?
C41 N14 N15 C42 -0.6(7) . . . . ?
C41 C38 C39 C40 -176.9(6) . . . . ?
C42 O2 C41 N14 -0.1(7) . . . . ?
C42 O2 C41 C38 -178.8(6) . . . . ?
C42 C43 C44 C45 179.1(6) . . . . ?
C42 C43 C47 C46 179.0(6) . . . . ?
C43 C44 C45 N16 3.4(10) . . . . ?
C44 C43 C47 C46 -1.3(9) . . . . ?
C45 N16 C46 C47 1.7(9) . . . . ?
C46 N16 C45 C44 -3.9(9) . . . . ?
C47 C43 C44 C45 -0.6(9) . . . . ?
C67 N21 C71 C70 -3.0(10) . . . . ?
C67 C68 C69 C70 -3.4(10) . . . . ?
C67 C68 C69 C72 178.7(6) . . . . ?
C68 C69 C70 C71 4.1(10) . . . . ?
C68 C69 C72 O3 162.5(6) . . . . ?
C68 C69 C72 N22 -16.2(10) . . . . ?
C69 C70 C71 N21 -0.9(11) . . . . ?
C70 C69 C72 O3 -15.3(10) . . . . ?
C70 C69 C72 N22 166.0(7) . . . . ?
C71 N21 C67 C68 3.8(10) . . . . ?
C72 O3 C73 N23 -1.2(7) . . . . ?
C72 O3 C73 C74 178.0(6) . . . . ?
C72 N22 N23 C73 -1.2(7) . . . . ?
C72 C69 C70 C71 -178.1(7) . . . . ?
C73 O3 C72 N22 0.3(7) . . . . ?
C73 O3 C72 C69 -178.5(6) . . . . ?
C73 C74 C75 C76 179.6(6) . . . . ?
C73 C74 C78 C77 179.8(6) . . . . ?
C74 C75 C76 N24 0.3(10) . . . . ?
C75 C74 C78 C77 -1.6(9) . . . . ?
C76 N24 C77 C78 -0.2(9) . . . . ?
C77 N24 C76 C75 -0.7(9) . . . . ?
C78 C74 C75 C76 0.8(9) . . . . ?
C98 N29 C102 C101 0.7(11) . . . . ?
C98 C99 C100 C101 -1.6(10) . . . . ?
C98 C99 C100 C103 178.9(6) . . . . ?
C99 C100 C101 C102 3.2(11) . . . . ?
C99 C100 C103 O4 163.1(6) . . . . ?
C99 C100 C103 N30 -16.1(10) . . . . ?
C100 C101 C102 N29 -2.9(12) . . . . ?
C101 C100 C103 O4 -16.3(10) . . . . ?
C101 C100 C103 N30 164.5(7) . . . . ?
C102 N29 C98 C99 1.1(11) . . . . ?
C103 O4 C104 N31 -0.6(7) . . . . ?
C103 O4 C104 C105 177.0(6) . . . . ?
C103 N30 N31 C104 0.1(7) . . . . ?
C103 C100 C101 C102 -177.3(7) . . . . ?
C104 O4 C103 N30 0.7(7) . . . . ?
C104 O4 C103 C100 -178.6(6) . . . . ?
C104 C105 C106 C107 178.4(6) . . . . ?
C104 C105 C109 C108 179.4(6) . . . . ?
C105 C106 C107 N32 3.4(10) . . . . ?
C106 C105 C109 C108 -1.6(9) . . . . ?
C107 N32 C108 C109 0.8(9) . . . . ?
C108 N32 C107 C106 -3.4(10) . . . . ?
C109 C105 C106 C107 -0.7(9) . . . . ?
F1 C18 C19 C20 178.2(8) . . . . ?
C17 C18 C19 C20 -0.9(13) . . . . ?
C18 C17 C26 C21 1.4(11) . . . . ?
C18 C17 C26 C25 -178.8(7) . . . . ?
C18 C19 C20 C21 2.1(13) . . . . ?
C19 C20 C21 C22 177.9(8) . . . . ?
C19 C20 C21 C26 -1.6(12) . . . . ?
C20 C21 C22 C23 -179.9(8) . . . . ?
C20 C21 C26 C17 -0.2(11) . . . . ?
C20 C21 C26 C25 -180.0(7) . . . . ?
C21 C22 C23 C24 -0.4(13) . . . . ?
C22 C21 C26 C17 -179.8(7) . . . . ?
C22 C21 C26 C25 0.5(11) . . . . ?
C22 C23 C24 C25 1.2(13) . . . . ?
C23 C24 C25 C26 -1.1(13) . . . . ?
C24 C25 C26 C17 -179.5(8) . . . . ?
C24 C25 C26 C21 0.3(12) . . . . ?
C26 C17 C18 F1 180.0(7) . . . . ?
C26 C17 C18 C19 -0.9(13) . . . . ?
C26 C21 C22 C23 -0.4(12) . . . . ?
C28 C27 C31 C30 177.4(10) . . . . ?
C28 C27 C31 C31 -1.2(18) . . . 2_575 ?
C28 C29 C30 C31 3.8(16) 2_575 . . . ?
C29 C30 C31 C27 177.4(10) . . . . ?
C29 C30 C31 C31 -4.0(17) . . . 2_575 ?
C31 C27 C28 F2 -171.4(14) . . . . ?
C31 C27 C28 C29 1.3(18) . . . 2_575 ?
F3 C49 C50 C51 -179.5(8) . . . . ?
C48 C49 C50 C51 1.4(13) . . . . ?
C49 C48 C57 C52 -0.2(11) . . . . ?
C49 C48 C57 C56 -179.5(7) . . . . ?
C49 C50 C51 C52 -1.7(12) . . . . ?
C50 C51 C52 C53 178.6(8) . . . . ?
C50 C51 C52 C57 1.2(11) . . . . ?
C51 C52 C53 C54 179.7(8) . . . . ?
C51 C52 C57 C48 -0.2(10) . . . . ?
C51 C52 C57 C56 179.2(7) . . . . ?
C52 C53 C54 C55 2.4(12) . . . . ?
C53 C52 C57 C48 -177.8(7) . . . . ?
C53 C52 C57 C56 1.5(10) . . . . ?
C53 C54 C55 C56 -0.7(12) . . . . ?
C54 C55 C56 C57 -0.4(12) . . . . ?
C55 C56 C57 C48 179.3(7) . . . . ?
C55 C56 C57 C52 -0.1(11) . . . . ?
C57 C48 C49 F3 -179.5(7) . . . . ?
C57 C48 C49 C50 -0.4(12) . . . . ?
C57 C52 C53 C54 -2.8(12) . . . . ?
F4 C59 C60 C61 171.3(12) . . . . ?
C58 C59 C60 C61 3.6(17) . . . . ?
C59 C58 C62 C61 -179.7(10) . . . 2_665 ?
C59 C58 C62 C62 0.8(18) . . . 2_665 ?
C59 C60 C61 C62 -3.2(16) . . . 2_665 ?
C62 C58 C59 F4 -169.9(13) . . . . ?
C62 C58 C59 C60 -2.6(18) . . . . ?
F5 C80 C81 C82 178.1(7) . . . . ?
C79 C80 C81 C82 -2.4(13) . . . . ?
C80 C79 C88 C83 0.1(11) . . . . ?
C80 C79 C88 C87 -178.4(7) . . . . ?
C80 C81 C82 C83 2.8(12) . . . . ?
C81 C82 C83 C84 175.9(7) . . . . ?
C81 C82 C83 C88 -1.9(12) . . . . ?
C82 C83 C84 C85 -179.9(8) . . . . ?
C82 C83 C88 C79 0.4(11) . . . . ?
C82 C83 C88 C87 178.9(7) . . . . ?
C83 C84 C85 C86 1.1(12) . . . . ?
C84 C83 C88 C79 -177.5(7) . . . . ?
C84 C83 C88 C87 1.0(10) . . . . ?
C84 C85 C86 C87 1.2(12) . . . . ?
C85 C86 C87 C88 -2.3(12) . . . . ?
C86 C87 C88 C79 179.6(7) . . . . ?
C86 C87 C88 C83 1.2(11) . . . . ?
C88 C79 C80 F5 -179.6(7) . . . . ?
C88 C79 C80 C81 0.9(12) . . . . ?
C88 C83 C84 C85 -2.2(11) . . . . ?
C90 C89 C93 C92 -179.5(10) . . . . ?
C90 C89 C93 C93 2.7(18) . . . 2_646 ?
C90 C91 C92 C93 2.6(15) 2_646 . . . ?
C91 C92 C93 C89 -179.9(10) . . . . ?
C91 C92 C93 C93 -2.1(17) . . . 2_646 ?
C93 C89 C90 F6 -176.0(14) . . . . ?
C93 C89 C90 C91 -3.4(18) . . . 2_646 ?
F7 C111 C112 C113 178.6(7) . . . . ?
C110 C111 C112 C113 0.5(12) . . . . ?
C111 C110 C119 C114 0.5(11) . . . . ?
C111 C110 C119 C118 -179.0(7) . . . . ?
C111 C112 C113 C114 -0.7(12) . . . . ?
C112 C113 C114 C115 177.0(8) . . . . ?
C112 C113 C114 C119 0.8(11) . . . . ?
C113 C114 C115 C116 179.5(8) . . . . ?
C113 C114 C119 C110 -0.6(10) . . . . ?
C113 C114 C119 C118 178.9(6) . . . . ?
C114 C115 C116 C117 2.3(13) . . . . ?
C115 C114 C119 C110 -177.2(7) . . . . ?
C115 C114 C119 C118 2.3(10) . . . . ?
C115 C116 C117 C118 1.4(12) . . . . ?
C116 C117 C118 C119 -3.1(13) . . . . ?
C117 C118 C119 C110 -179.5(8) . . . . ?
C117 C118 C119 C114 1.0(11) . . . . ?
C119 C110 C111 F7 -178.5(7) . . . . ?
C119 C110 C111 C112 -0.4(12) . . . . ?
C119 C114 C115 C116 -4.3(13) . . . . ?
F8 C121 C122 C123 179.2(11) . . . 2_776 ?
C120 C121 C122 C123 -1.8(15) . . . 2_776 ?
C121 C120 C124 C123 178.8(10) . . . . ?
C121 C120 C124 C124 -3.2(17) . . . 2_776 ?
C122 C123 C124 C120 178.6(11) 2_776 . . . ?
C122 C123 C124 C124 0.7(19) 2_776 . . 2_776 ?
C124 C120 C121 F8 -177.7(10) . . . . ?
C124 C120 C121 C122 3.4(17) . . . . ?


# start Validation Reply Form
_vrf_PLAT110_1-168K              
;
PROBLEM: ADDSYM Detects Potential Lattice Translation      ? Check  
RESPONSE: Symmetry breaking is happened at 168 K. The asymmetric unit
contains four crystallographically distinct Fe centers with different
Fe-N distances, which is consistent with the magnetic data. 
;
_vrf_PLAT112_1-168K              
;
PROBLEM: ADDSYM Detects New (Pseudo) Symm. Elem     I   100 %Fit  
RESPONSE: See PLAT110
;
_vrf_PLAT113_1-168K              
;
PROBLEM: ADDSYM Suggests Possible Pseudo/New  Space Group I2/a Check
Note: (Pseudo) Lattice Translation Implemented  
RESPONSE: See PLAT110
;
# 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_1-226K
_database_code_depnum_ccdc_archive 'CCDC 1959295'
loop_
_audit_author_name
_audit_author_address
'Cui-Juan Zhang'
;Sun Yat sen University
China
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2019-12-24 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(C128 H64 Ag16 Fe8 N64 O8), 3(C10 H7 F)'
_chemical_formula_sum            'C62 H37 Ag4 F3 Fe2 N16 O2'
_chemical_formula_weight         1638.25
_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'
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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   20.876(3)
_cell_length_b                   28.6679(7)
_cell_length_c                   14.0218(10)
_cell_angle_alpha                90
_cell_angle_beta                 131.461(12)
_cell_angle_gamma                90
_cell_volume                     6288.8(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    19364
_cell_measurement_temperature    226(2)
_cell_measurement_theta_max      29.4140
_cell_measurement_theta_min      3.6810
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.736
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.94037
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3216
_exptl_crystal_size_max          0.085
_exptl_crystal_size_mid          0.064
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_unetI/netI     0.0282
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.922
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            53135
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.922
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.629
_diffrn_reflns_theta_min         3.235
_diffrn_ambient_temperature      226(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6782
_reflns_number_total             8965
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    ?
_computing_publication_material  ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    ?
_refine_diff_density_max         0.923
_refine_diff_density_min         -0.594
_refine_diff_density_rms         0.085
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         8965
_refine_ls_number_restraints     104
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0424
_refine_ls_restrained_S_all      1.078
_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)+(0.0435P)²+10.1435P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0989
_refine_ls_wR_factor_ref         0.1089
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 F1-C18 = F3-C28
 1.35 with sigma of 0.02
 C27-C28 = C27-C31 = C30-C31 = C30-C29
 1.38 with sigma of 0.01
 C23-C22 = C23-C24
 1.38 with sigma of 0.01
 C28-C31 = C27-C30 = C31-C29
 2.39 with sigma of 0.02
 F3-C27 = F3-C29_$1
 2.34 with sigma of 0.01
3. Restrained planarity
 F3, C27, C28, C31
 with sigma of 0.1
4. Rigid bond restraints
 C22, C23, C24
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C29, C30, C31
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
F3 \\sim C27 \\sim C28: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
F1 \\sim C17 \\sim C18: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C22 \\sim C23 \\sim C24: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C29 \\sim C30 \\sim C31: within 1.7A with sigma of 0.04 and sigma for terminal
atoms of 0.08
Uanis(F3) \\sim Ueq, Uanis(F1) \\sim Ueq, Uanis(C23) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
6. Others
 Fixed Sof: F1(0.3) F2(0.7) H18(0.7) H23(0.3) F3(0.5) H28(0.5)
7.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C8(H8), C9(H9), C13(H13), C14(H14), C15(H15), C16(H16),
 C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23), C24(H24), C25(H25),
  C27(H27), C28(H28), C29(H29), C30(H30)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.5000 0.20743(2) 0.7500 0.05093(11) Uani 1 2 d S T P . .
Ag2 Ag 0.5000 0.21577(2) 0.2500 0.05723(12) Uani 1 2 d S T P . .
Ag3 Ag 0.0000 0.17780(2) -0.2500 0.05200(11) Uani 1 2 d S T P . .
Ag4 Ag 0.0000 0.17884(2) 0.2500 0.05124(11) Uani 1 2 d S T P . .
Fe1 Fe 0.25032(2) 0.19085(2) 0.24943(3) 0.02445(9) Uani 1 1 d . . . . .
O1 O 0.19153(12) 0.44043(6) 0.21852(19) 0.0346(4) Uani 1 1 d . . . . .
N1 N 0.34650(16) 0.20079(8) 0.4485(2) 0.0401(5) Uani 1 1 d . . . . .
N2 N 0.34141(17) 0.20732(8) 0.2351(3) 0.0423(6) Uani 1 1 d . . . . .
N3 N 0.15490(17) 0.18023(8) 0.0515(2) 0.0419(6) Uani 1 1 d . . . . .
N4 N 0.15883(16) 0.17742(8) 0.2653(2) 0.0399(6) Uani 1 1 d . . . . .
N5 N 0.21551(15) 0.26354(8) 0.2234(2) 0.0365(5) Uani 1 1 d . . . . .
N6 N 0.06265(15) 0.41654(8) 0.1340(2) 0.0393(5) Uani 1 1 d . . . . .
N7 N 0.06413(15) 0.46536(8) 0.1373(2) 0.0380(5) Uani 1 1 d . . . . .
N8 N 0.21711(13) 0.61805(7) 0.2281(2) 0.0295(4) Uani 1 1 d . . . . .
C1 C 0.4000(2) 0.20437(11) 0.5556(3) 0.0446(7) Uani 1 1 d . . . . .
C2 C 0.3969(2) 0.21260(11) 0.2387(4) 0.0499(8) Uani 1 1 d . . . . .
C3 C 0.1006(2) 0.17767(10) -0.0564(3) 0.0471(8) Uani 1 1 d . . . . .
C4 C 0.1039(2) 0.17702(11) 0.2637(3) 0.0449(7) Uani 1 1 d . . . . .
C5 C 0.13303(18) 0.27562(9) 0.1456(3) 0.0389(6) Uani 1 1 d . . . . .
H5 H 0.0914 0.2521 0.0994 0.047 Uiso 1 1 calc R . . . .
C6 C 0.10643(18) 0.32117(9) 0.1304(3) 0.0382(6) Uani 1 1 d . . . . .
H6 H 0.0479 0.3284 0.0754 0.046 Uiso 1 1 calc R . . . .
C7 C 0.16690(18) 0.35607(9) 0.1969(3) 0.0363(6) Uani 1 1 d . . . . .
C8 C 0.25298(19) 0.34394(11) 0.2755(3) 0.0485(8) Uani 1 1 d . . . . .
H8 H 0.2961 0.3667 0.3210 0.058 Uiso 1 1 calc R . . . .
C9 C 0.2727(2) 0.29761(11) 0.2841(3) 0.0459(7) Uani 1 1 d . . . . .
H9 H 0.3307 0.2895 0.3366 0.055 Uiso 1 1 calc R . . . .
C10 C 0.13821(18) 0.40391(9) 0.1820(3) 0.0350(6) Uani 1 1 d . . . . .
C11 C 0.14009(17) 0.47751(9) 0.1863(2) 0.0329(6) Uani 1 1 d . . . . .
C12 C 0.17020(17) 0.52522(9) 0.2035(2) 0.0306(5) Uani 1 1 d . . . . .
C13 C 0.11097(17) 0.56069(9) 0.1552(3) 0.0339(6) Uani 1 1 d . . . . .
H13 H 0.0539 0.5537 0.1141 0.041 Uiso 1 1 calc R . . . .
C14 C 0.13631(17) 0.60625(9) 0.1677(3) 0.0334(6) Uani 1 1 d . . . . .
H14 H 0.0952 0.6300 0.1323 0.040 Uiso 1 1 calc R . . . .
C15 C 0.27464(17) 0.58365(10) 0.2749(3) 0.0340(6) Uani 1 1 d . . . . .
H15 H 0.3315 0.5917 0.3168 0.041 Uiso 1 1 calc R . . . .
C16 C 0.25431(17) 0.53684(10) 0.2644(3) 0.0345(6) Uani 1 1 d . . . . .
H16 H 0.2961 0.5136 0.2974 0.041 Uiso 1 1 calc R . . . .
F1 F 0.3492(7) 0.5907(4) 0.0573(10) 0.107(3) Uani 0.3 1 d D U . A 1
F2 F 0.0627(2) 0.39219(13) -0.1086(3) 0.0788(10) Uani 0.7 1 d . . . B 2
C17 C 0.3097(3) 0.51854(18) 0.0364(4) 0.0706(11) Uani 1 1 d . U . . .
H17 H 0.3631 0.5088 0.0659 0.085 Uiso 1 1 calc R . . . .
C18 C 0.2918(4) 0.56458(19) 0.0263(4) 0.0778(13) Uani 1 1 d D U . . .
H18 H 0.3342 0.5863 0.0513 0.093 Uiso 0.7 1 calc R . . A 2
C19 C 0.2140(3) 0.58078(16) -0.0190(4) 0.0716(12) Uani 1 1 d . . . . .
H19 H 0.2040 0.6130 -0.0238 0.086 Uiso 1 1 calc R . . . .
C20 C 0.1523(3) 0.54999(14) -0.0566(3) 0.0620(11) Uani 1 1 d . . . . .
H20 H 0.0987 0.5612 -0.0896 0.074 Uiso 1 1 calc R . . . .
C21 C 0.1661(3) 0.50141(13) -0.0478(3) 0.0537(9) Uani 1 1 d . . . . .
C22 C 0.1030(3) 0.46850(14) -0.0855(3) 0.0601(9) Uani 1 1 d D U . . .
H22 H 0.0489 0.4784 -0.1181 0.072 Uiso 1 1 calc R . . . .
C23 C 0.1210(3) 0.42228(15) -0.0746(4) 0.0649(10) Uani 1 1 d D U . . .
H23 H 0.0784 0.4005 -0.1005 0.078 Uiso 0.3 1 calc R . . B 1
C24 C 0.2008(3) 0.40592(15) -0.0261(4) 0.0668(11) Uani 1 1 d D U . . .
H24 H 0.2115 0.3737 -0.0193 0.080 Uiso 1 1 calc R . . . .
C25 C 0.2623(3) 0.43676(15) 0.0108(4) 0.0636(11) Uani 1 1 d . . . . .
H25 H 0.3157 0.4258 0.0426 0.076 Uiso 1 1 calc R . . . .
C26 C 0.2479(2) 0.48508(13) 0.0026(3) 0.0539(9) Uani 1 1 d . . . . .
F3 F 0.4215(7) 0.3917(3) 0.3024(9) 0.225(5) Uani 0.5 1 d D U . C 1
C27 C 0.4571(4) 0.4701(2) 0.3525(6) 0.1131(19) Uani 1 1 d D U . . .
H27 H 0.4391 0.4760 0.2719 0.136 Uiso 1 1 calc R . . . .
C28 C 0.4546(4) 0.4253(3) 0.3883(7) 0.121(2) Uani 1 1 d D U . . .
H28 H 0.4347 0.4016 0.3280 0.145 Uiso 0.5 1 calc R . . C 2
C29 C 0.5227(3) 0.5883(3) 0.5002(6) 0.124(2) Uani 1 1 d D U . . .
H29 H 0.5275 0.6191 0.4828 0.148 Uiso 1 1 calc R . . . .
C30 C 0.4923(4) 0.5527(2) 0.4165(6) 0.108(2) Uani 1 1 d D U . . .
H30 H 0.4729 0.5599 0.3357 0.130 Uiso 1 1 calc R . . . .
C31 C 0.4874(3) 0.50566(19) 0.4403(4) 0.0850(15) Uani 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag4 3.2604(5) 7_556 ?
Ag1 C1 2.064(3) 2_656 ?
Ag1 C1 2.064(3) . ?
Ag2 Ag3 3.0512(5) 7 ?
Ag2 C2 2.052(3) . ?
Ag2 C2 2.052(3) 2_655 ?
Ag3 Ag2 3.0514(5) 7 ?
Ag3 C3 2.057(3) 2_554 ?
Ag3 C3 2.057(3) . ?
Ag4 Ag1 3.2605(5) 7_556 ?
Ag4 C4 2.047(3) 2 ?
Ag4 C4 2.047(3) . ?
Fe1 N1 2.117(3) . ?
Fe1 N2 2.094(3) . ?
Fe1 N3 2.107(3) . ?
Fe1 N4 2.100(3) . ?
Fe1 N5 2.157(2) . ?
Fe1 N8 2.152(2) 4_545 ?
O1 C10 1.357(3) . ?
O1 C11 1.358(3) . ?
N1 C1 1.136(4) . ?
N2 C2 1.137(4) . ?
N3 C3 1.144(4) . ?
N4 C4 1.132(4) . ?
N5 C5 1.337(4) . ?
N5 C9 1.326(4) . ?
N6 N7 1.400(3) . ?
N6 C10 1.291(4) . ?
N7 C11 1.291(4) . ?
N8 Fe1 2.153(2) 4 ?
N8 C14 1.336(3) . ?
N8 C15 1.342(3) . ?
C5 H5 0.9400 . ?
C5 C6 1.379(4) . ?
C6 H6 0.9400 . ?
C6 C7 1.380(4) . ?
C7 C8 1.394(4) . ?
C7 C10 1.455(4) . ?
C8 H8 0.9400 . ?
C8 C9 1.372(4) . ?
C9 H9 0.9400 . ?
C11 C12 1.457(4) . ?
C12 C13 1.383(4) . ?
C12 C16 1.392(4) . ?
C13 H13 0.9400 . ?
C13 C14 1.376(4) . ?
C14 H14 0.9400 . ?
C15 H15 0.9400 . ?
C15 C16 1.385(4) . ?
C16 H16 0.9400 . ?
F1 C18 1.224(10) . ?
F2 C23 1.298(5) . ?
C17 H17 0.9400 . ?
C17 C18 1.353(6) . ?
C17 C26 1.413(6) . ?
C18 H18 0.9400 . ?
C18 C19 1.374(7) . ?
C19 H19 0.9400 . ?
C19 C20 1.348(6) . ?
C20 H20 0.9400 . ?
C20 C21 1.411(5) . ?
C21 C22 1.407(5) . ?
C21 C26 1.428(5) . ?
C22 H22 0.9400 . ?
C22 C23 1.358(5) . ?
C23 H23 0.9400 . ?
C23 C24 1.400(5) . ?
C24 H24 0.9400 . ?
C24 C25 1.347(6) . ?
C25 H25 0.9400 . ?
C25 C26 1.406(5) . ?
F3 C28 1.324(8) . ?
C27 H27 0.9400 . ?
C27 C28 1.393(7) . ?
C27 C31 1.388(6) . ?
C28 H28 0.9400 . ?
C28 C29 1.356(9) 5_666 ?
C29 C28 1.356(9) 5_666 ?
C29 H29 0.9400 . ?
C29 C30 1.355(7) . ?
C30 H30 0.9400 . ?
C30 C31 1.408(6) . ?
C31 C31 1.419(9) 5_666 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ag1 Ag4 92.44(9) . 7_556 ?
C1 Ag1 Ag4 92.44(9) 2_656 7_556 ?
C1 Ag1 C1 175.12(18) 2_656 . ?
C2 Ag2 Ag3 92.54(8) . 7 ?
C2 Ag2 Ag3 92.54(8) 2_655 7 ?
C2 Ag2 C2 174.92(17) 2_655 . ?
C3 Ag3 Ag2 90.10(8) . 7 ?
C3 Ag3 Ag2 90.10(8) 2_554 7 ?
C3 Ag3 C3 179.8(2) 2_554 . ?
C4 Ag4 Ag1 91.46(9) 2 7_556 ?
C4 Ag4 Ag1 91.46(9) . 7_556 ?
C4 Ag4 C4 177.09(17) . 2 ?
N1 Fe1 N5 90.71(9) . . ?
N1 Fe1 N8 90.31(9) . 4_545 ?
N2 Fe1 N1 88.13(10) . . ?
N2 Fe1 N3 91.90(11) . . ?
N2 Fe1 N4 177.49(9) . . ?
N2 Fe1 N5 89.50(9) . . ?
N2 Fe1 N8 90.81(9) . 4_545 ?
N3 Fe1 N1 179.42(9) . . ?
N3 Fe1 N5 89.87(9) . . ?
N3 Fe1 N8 89.11(9) . 4_545 ?
N4 Fe1 N1 91.13(10) . . ?
N4 Fe1 N3 88.87(10) . . ?
N4 Fe1 N5 88.11(9) . . ?
N4 Fe1 N8 91.60(9) . 4_545 ?
N8 Fe1 N5 178.95(9) 4_545 . ?
C10 O1 C11 102.0(2) . . ?
C1 N1 Fe1 176.9(3) . . ?
C2 N2 Fe1 171.9(3) . . ?
C3 N3 Fe1 174.8(2) . . ?
C4 N4 Fe1 168.6(2) . . ?
C5 N5 Fe1 119.73(18) . . ?
C9 N5 Fe1 122.9(2) . . ?
C9 N5 C5 117.3(2) . . ?
C10 N6 N7 105.7(2) . . ?
C11 N7 N6 106.3(2) . . ?
C14 N8 Fe1 118.82(17) . 4 ?
C14 N8 C15 118.0(2) . . ?
C15 N8 Fe1 123.17(18) . 4 ?
N1 C1 Ag1 176.8(3) . . ?
N2 C2 Ag2 174.7(3) . . ?
N3 C3 Ag3 175.8(3) . . ?
N4 C4 Ag4 176.3(3) . . ?
N5 C5 H5 118.6 . . ?
N5 C5 C6 122.7(3) . . ?
C6 C5 H5 118.6 . . ?
C5 C6 H6 120.4 . . ?
C5 C6 C7 119.2(3) . . ?
C7 C6 H6 120.4 . . ?
C6 C7 C8 118.5(3) . . ?
C6 C7 C10 118.7(3) . . ?
C8 C7 C10 122.8(3) . . ?
C7 C8 H8 121.1 . . ?
C9 C8 C7 117.8(3) . . ?
C9 C8 H8 121.1 . . ?
N5 C9 C8 124.5(3) . . ?
N5 C9 H9 117.7 . . ?
C8 C9 H9 117.7 . . ?
O1 C10 C7 121.1(2) . . ?
N6 C10 O1 113.2(2) . . ?
N6 C10 C7 125.7(3) . . ?
O1 C11 C12 121.4(2) . . ?
N7 C11 O1 112.8(2) . . ?
N7 C11 C12 125.8(2) . . ?
C13 C12 C11 117.5(2) . . ?
C13 C12 C16 118.7(2) . . ?
C16 C12 C11 123.8(2) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 C12 119.5(3) . . ?
C14 C13 H13 120.3 . . ?
N8 C14 C13 122.6(2) . . ?
N8 C14 H14 118.7 . . ?
C13 C14 H14 118.7 . . ?
N8 C15 H15 118.4 . . ?
N8 C15 C16 123.2(2) . . ?
C16 C15 H15 118.4 . . ?
C12 C16 H16 121.0 . . ?
C15 C16 C12 118.0(2) . . ?
C15 C16 H16 121.0 . . ?
C18 C17 H17 120.0 . . ?
C18 C17 C26 120.0(4) . . ?
C26 C17 H17 120.0 . . ?
F1 C18 C17 115.0(7) . . ?
F1 C18 C19 122.5(8) . . ?
C17 C18 H18 118.7 . . ?
C17 C18 C19 122.5(5) . . ?
C19 C18 H18 118.7 . . ?
C18 C19 H19 120.3 . . ?
C20 C19 C18 119.3(5) . . ?
C20 C19 H19 120.3 . . ?
C19 C20 H20 119.1 . . ?
C19 C20 C21 121.7(4) . . ?
C21 C20 H20 119.1 . . ?
C20 C21 C26 118.3(4) . . ?
C22 C21 C20 122.9(4) . . ?
C22 C21 C26 118.8(3) . . ?
C21 C22 H22 120.3 . . ?
C23 C22 C21 119.5(4) . . ?
C23 C22 H22 120.3 . . ?
F2 C23 C22 119.0(4) . . ?
F2 C23 C24 118.8(4) . . ?
C22 C23 H23 118.9 . . ?
C22 C23 C24 122.2(4) . . ?
C24 C23 H23 118.9 . . ?
C23 C24 H24 120.3 . . ?
C25 C24 C23 119.4(4) . . ?
C25 C24 H24 120.3 . . ?
C24 C25 H25 119.4 . . ?
C24 C25 C26 121.2(4) . . ?
C26 C25 H25 119.4 . . ?
C17 C26 C21 118.1(4) . . ?
C25 C26 C17 123.0(4) . . ?
C25 C26 C21 118.9(4) . . ?
C28 C27 H27 121.3 . . ?
C31 C27 H27 121.3 . . ?
C31 C27 C28 117.4(6) . . ?
F3 C28 C27 117.6(7) . . ?
F3 C28 C29 114.5(7) . 5_666 ?
C27 C28 H28 116.1 . . ?
C29 C28 C27 127.8(7) 5_666 . ?
C29 C28 H28 116.1 5_666 . ?
C28 C29 H29 123.6 5_666 . ?
C30 C29 C28 112.8(7) . 5_666 ?
C30 C29 H29 123.6 . . ?
C29 C30 H30 117.2 . . ?
C29 C30 C31 125.6(6) . . ?
C31 C30 H30 117.2 . . ?
C27 C31 C30 123.7(5) . . ?
C27 C31 C31 118.3(6) . 5_666 ?
C30 C31 C31 118.0(6) . 5_666 ?

####################################################################### 
# 
# 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_1-195K
_database_code_depnum_ccdc_archive 'CCDC 1959294'
loop_
_audit_author_name
_audit_author_address
'Cui-Juan Zhang'
;Sun Yat sen University
China
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2019-12-24 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H16 Ag4 Fe2 N16 O2, 3(C10 H7 F)'
_chemical_formula_sum            'C62 H37 Ag4 F3 Fe2 N16 O2'
_chemical_formula_weight         1638.25
_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'
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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   15.4861(8)
_cell_length_b                   17.4641(9)
_cell_length_c                   13.9195(6)
_cell_angle_alpha                67.052(5)
_cell_angle_beta                 90.666(4)
_cell_angle_gamma                65.064(5)
_cell_volume                     3072.8(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    14537
_cell_measurement_temperature    195(2)
_cell_measurement_theta_max      29.8800
_cell_measurement_theta_min      3.7280
_shelx_estimated_absorpt_T_max   0.916
_shelx_estimated_absorpt_T_min   0.864
_exptl_absorpt_coefficient_mu    1.776
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79783
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.771
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.085
_exptl_crystal_size_mid          0.064
_exptl_crystal_size_min          0.050
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0897
_diffrn_reflns_av_unetI/netI     0.0888
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.872
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            50708
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.872
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.589
_diffrn_reflns_theta_min         3.446
_diffrn_ambient_temperature      195(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.872
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11105
_reflns_number_total             16468
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    ?
_computing_publication_material  ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    ?
_refine_diff_density_max         5.291
_refine_diff_density_min         -3.329
_refine_diff_density_rms         0.218
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     811
_refine_ls_number_reflns         16468
_refine_ls_number_restraints     70
_refine_ls_R_factor_all          0.1296
_refine_ls_R_factor_gt           0.0997
_refine_ls_restrained_S_all      1.041
_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)+(0.1256P)²+24.9457P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2629
_refine_ls_wR_factor_ref         0.2856
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 F2-C28
 1.35 with sigma of 0.01
 F4-C59
 1.35 with sigma of 0.01
 C30-C31 = C31-C27 = C27-C28 = C28-C29
 1.38 with sigma of 0.01
 C58-C59 = C59-C60 = C60-C61 = C61-C62
 1.38 with sigma of 0.01
 F1-C18
 1.35 with sigma of 0.01
 C49-F3
 1.35 with sigma of 0.01
 C30-C27 = C31-C28 = C27-C29
 2.39 with sigma of 0.02
 C58-C60 = C59-C61 = C60-C62
 2.39 with sigma of 0.02
 F2-C29
 2.34 with sigma of 0.04
 F2-C27
 2.34 with sigma of 0.04
 F4-C60
 2.34 with sigma of 0.04
 F4-C58
 2.34 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
F4 \\sim C59 \\sim C60: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
F2 \\sim C28 \\sim C29: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(F2) \\sim Ueq, Uanis(F4) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Others
 Fixed Sof: F2(0.5) H28(0.5) F4(0.5) H59(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C8(H8), C9(H9), C13(H13), C14(H14), C15(H15), C16(H16),
 C36(H36), C37(H37), C39(H39), C40(H40), C44(H44), C45(H45), C46(H46), C47(H47),
  C17(H17), C19(H19), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26),
 C27(H27), C28(H28), C29(H29), C30(H30), C48(H48), C50(H50), C51(H51), C53(H53),
  C54(H54), C55(H55), C56(H56), C58(H58), C59(H59), C60(H60), C61(H61)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.29591(6) 0.43071(5) 0.53298(6) 0.0444(2) Uani 1 1 d . . . . .
Ag2 Ag 0.30076(5) 0.41385(5) 1.03914(6) 0.04116(19) Uani 1 1 d . . . . .
Ag3 Ag 0.81514(6) 0.35828(5) 1.06929(6) 0.04100(19) Uani 1 1 d . . . . .
Ag4 Ag 0.81753(5) 0.35703(5) 0.57456(6) 0.04116(19) Uani 1 1 d . . . . .
Fe1 Fe 0.56023(7) 0.38230(6) 0.80746(7) 0.0198(2) Uani 1 1 d . . . . .
Fe2 Fe 0.06074(7) 0.38215(7) 1.30919(7) 0.0209(2) Uani 1 1 d . . . . .
O1 O 0.3666(4) 0.8776(3) 0.5875(4) 0.0309(12) Uani 1 1 d . . . . .
O2 O 0.7541(4) -0.1151(3) 1.0314(4) 0.0285(11) Uani 1 1 d . . . . .
N1 N 0.4626(5) 0.4099(5) 0.6928(5) 0.0295(13) Uani 1 1 d . . . . .
N2 N 0.4613(5) 0.3990(4) 0.8959(5) 0.0287(13) Uani 1 1 d . . . . .
N3 N 0.6561(5) 0.3593(4) 0.9204(5) 0.0274(13) Uani 1 1 d . . . . .
N4 N 0.6592(5) 0.3646(4) 0.7195(5) 0.0274(13) Uani 1 1 d . . . . .
N5 N 0.5230(5) 0.5200(4) 0.7461(5) 0.0271(13) Uani 1 1 d . . . . .
N6 N 0.5204(5) 0.8321(4) 0.6541(6) 0.0351(15) Uani 1 1 d . . . . .
N7 N 0.4699(5) 0.9306(4) 0.6082(5) 0.0329(15) Uani 1 1 d . . . . .
N8 N 0.1654(5) 1.2340(4) 0.3940(5) 0.0271(13) Uani 1 1 d . . . . .
N9 N 0.9738(5) 0.3604(5) 0.4258(5) 0.0333(15) Uani 1 1 d . . . . .
N10 N 0.9798(5) 0.3544(5) 1.2133(6) 0.0351(15) Uani 1 1 d . . . . .
N11 N 0.1494(5) 0.4019(5) 1.1927(6) 0.0337(15) Uani 1 1 d . . . . .
N12 N 0.1399(5) 0.4170(5) 0.3985(5) 0.0332(15) Uani 1 1 d . . . . .
N13 N 0.9537(6) -0.4713(5) 1.2270(5) 0.0334(15) Uani 1 1 d . . . . .
N14 N 0.6478(5) -0.1654(4) 1.0131(5) 0.0323(15) Uani 1 1 d . . . . .
N15 N 0.6004(5) -0.0673(4) 0.9623(5) 0.0331(15) Uani 1 1 d . . . . .
N16 N 0.5979(4) 0.2445(4) 0.8671(5) 0.0239(12) Uani 1 1 d . . . . .
C1 C 0.4020(7) 0.4225(6) 0.6315(7) 0.0373(19) Uani 1 1 d . . . . .
C2 C 0.4030(7) 0.4074(6) 0.9455(7) 0.0337(17) Uani 1 1 d . . . . .
C3 C 0.7118(6) 0.3559(6) 0.9777(7) 0.0344(17) Uani 1 1 d . . . . .
C4 C 0.7162(7) 0.3568(6) 0.6692(7) 0.0339(18) Uani 1 1 d . . . . .
C5 C 0.5934(6) 0.5477(5) 0.7379(6) 0.0287(15) Uani 1 1 d . . . . .
H5 H 0.6596 0.5015 0.7565 0.034 Uiso 1 1 calc R . . . .
C6 C 0.5728(6) 0.6393(5) 0.7040(6) 0.0306(16) Uani 1 1 d . . . . .
H6 H 0.6243 0.6557 0.7006 0.037 Uiso 1 1 calc R . . . .
C7 C 0.4774(6) 0.7081(5) 0.6747(6) 0.0291(15) Uani 1 1 d . . . . .
C8 C 0.4048(6) 0.6801(6) 0.6809(7) 0.0345(17) Uani 1 1 d . . . . .
H8 H 0.3380 0.7253 0.6601 0.041 Uiso 1 1 calc R . . . .
C9 C 0.4307(6) 0.5868(6) 0.7173(7) 0.0364(18) Uani 1 1 d . . . . .
H9 H 0.3804 0.5687 0.7224 0.044 Uiso 1 1 calc R . . . .
C10 C 0.4562(6) 0.8054(5) 0.6404(6) 0.0293(16) Uani 1 1 d . . . . .
C11 C 0.3822(6) 0.9531(5) 0.5702(6) 0.0291(16) Uani 1 1 d . . . . .
C12 C 0.3029(6) 1.0494(5) 0.5073(6) 0.0274(15) Uani 1 1 d . . . . .
C13 C 0.3292(6) 1.1208(5) 0.4838(6) 0.0284(15) Uani 1 1 d . . . . .
H13 H 0.3942 1.1072 0.5066 0.034 Uiso 1 1 calc R . . . .
C14 C 0.2572(6) 1.2124(5) 0.4262(6) 0.0278(15) Uani 1 1 d . . . . .
H14 H 0.2741 1.2618 0.4089 0.033 Uiso 1 1 calc R . . . .
C15 C 0.1424(6) 1.1640(6) 0.4176(7) 0.0331(17) Uani 1 1 d . . . . .
H15 H 0.0770 1.1791 0.3941 0.040 Uiso 1 1 calc R . . . .
C16 C 0.2092(6) 1.0711(6) 0.4746(6) 0.0318(16) Uani 1 1 d . . . . .
H16 H 0.1901 1.0231 0.4906 0.038 Uiso 1 1 calc R . . . .
C32 C 0.9214(7) 0.3557(6) 0.4822(7) 0.040(2) Uani 1 1 d . . . . .
C33 C 0.9224(7) 0.3541(6) 1.1610(7) 0.0385(19) Uani 1 1 d . . . . .
C34 C 0.2019(7) 0.4093(6) 1.1364(7) 0.0384(19) Uani 1 1 d . . . . .
C35 C 0.1922(7) 0.4264(6) 0.4452(7) 0.0387(19) Uani 1 1 d . . . . .
C36 C 0.8582(6) -0.4475(6) 1.2122(7) 0.0362(18) Uani 1 1 d . . . . .
H36 H 0.8398 -0.4959 1.2426 0.043 Uiso 1 1 calc R . . . .
C37 C 0.7854(6) -0.3568(6) 1.1555(7) 0.0338(17) Uani 1 1 d . . . . .
H37 H 0.7189 -0.3433 1.1451 0.041 Uiso 1 1 calc R . . . .
C38 C 0.8124(6) -0.2855(5) 1.1137(6) 0.0308(16) Uani 1 1 d . . . . .
C39 C 0.9097(7) -0.3075(6) 1.1312(8) 0.040(2) Uani 1 1 d . . . . .
H39 H 0.9302 -0.2603 1.1050 0.048 Uiso 1 1 calc R . . . .
C40 C 0.9772(7) -0.4024(6) 1.1892(8) 0.042(2) Uani 1 1 d . . . . .
H40 H 1.0443 -0.4181 1.2020 0.051 Uiso 1 1 calc R . . . .
C41 C 0.7361(6) -0.1901(5) 1.0529(6) 0.0301(16) Uani 1 1 d . . . . .
C42 C 0.6649(6) -0.0411(5) 0.9751(6) 0.0288(16) Uani 1 1 d . . . . .
C43 C 0.6470(6) 0.0548(5) 0.9402(6) 0.0282(15) Uani 1 1 d . . . . .
C44 C 0.5495(6) 0.1255(5) 0.8963(6) 0.0291(15) Uani 1 1 d . . . . .
H44 H 0.4988 0.1098 0.8891 0.035 Uiso 1 1 calc R . . . .
C45 C 0.5294(6) 0.2167(5) 0.8644(6) 0.0285(15) Uani 1 1 d . . . . .
H45 H 0.4632 0.2634 0.8389 0.034 Uiso 1 1 calc R . . . .
C46 C 0.6910(5) 0.1779(5) 0.9084(6) 0.0276(15) Uani 1 1 d . . . . .
H46 H 0.7402 0.1962 0.9117 0.033 Uiso 1 1 calc R . . . .
C47 C 0.7176(6) 0.0827(5) 0.9465(6) 0.0286(15) Uani 1 1 d . . . . .
H47 H 0.7839 0.0372 0.9767 0.034 Uiso 1 1 calc R . . . .
F1 F 0.5431(6) 0.7846(6) 0.4359(8) 0.099(3) Uani 1 1 d D . . . .
C17 C 0.3918(10) 0.8086(8) 0.3688(9) 0.057(3) Uani 1 1 d . . . . .
H17 H 0.4142 0.7429 0.3973 0.069 Uiso 1 1 calc R . . . .
C18 C 0.4522(7) 0.8451(8) 0.3811(8) 0.052(2) Uani 1 1 d D . . . .
C19 C 0.4269(8) 0.9373(8) 0.3430(8) 0.047(2) Uani 1 1 d . . . . .
H19 H 0.4725 0.9574 0.3552 0.057 Uiso 1 1 calc R . . . .
C20 C 0.3322(8) 1.0020(8) 0.2855(8) 0.047(2) Uani 1 1 d . . . . .
C21 C 0.2645(8) 0.9697(8) 0.2704(8) 0.047(2) Uani 1 1 d . . . . .
C22 C 0.2973(9) 0.8717(8) 0.3133(9) 0.050(2) Uani 1 1 d . . . . .
H22 H 0.2535 0.8490 0.3036 0.060 Uiso 1 1 calc R . . . .
C23 C 0.2996(9) 1.0994(8) 0.2430(8) 0.053(3) Uani 1 1 d . . . . .
H23 H 0.3430 1.1222 0.2535 0.063 Uiso 1 1 calc R . . . .
C24 C 0.2046(11) 1.1626(9) 0.1857(9) 0.062(3) Uani 1 1 d . . . . .
H24 H 0.1839 1.2281 0.1573 0.075 Uiso 1 1 calc R . . . .
C25 C 0.1385(11) 1.1300(10) 0.1692(10) 0.066(3) Uani 1 1 d . . . . .
H25 H 0.0735 1.1726 0.1304 0.079 Uiso 1 1 calc R . . . .
C26 C 0.1720(9) 1.0346(9) 0.2116(9) 0.057(3) Uani 1 1 d . . . . .
H26 H 0.1286 1.0122 0.1995 0.069 Uiso 1 1 calc R . . . .
F2 F -0.1655(19) 1.2598(13) 0.3232(19) 0.168(8) Uani 0.5 1 d D U P A 1
C27 C -0.0463(10) 1.1002(9) 0.3680(10) 0.089(5) Uani 1 1 d D . . . .
H27 H -0.0377 1.1143 0.2967 0.107 Uiso 1 1 calc R . . . .
C28 C -0.1095(11) 1.1695(10) 0.3932(12) 0.106(5) Uani 1 1 d D U . . .
H28 H -0.1436 1.2311 0.3372 0.127 Uiso 0.5 1 calc R . P A 2
C29 C -0.1270(14) 1.1561(14) 0.4933(13) 0.112(5) Uani 1 1 d D U . . .
H29 H -0.1734 1.2048 0.5079 0.134 Uiso 1 1 calc R . . . .
C30 C 0.0694(11) 0.9373(9) 0.4261(12) 0.090(5) Uani 1 1 d D . . . .
H30 H 0.0758 0.9506 0.3543 0.108 Uiso 1 1 calc R . . . .
C31 C 0.0047(8) 1.0096(8) 0.4475(9) 0.064(3) Uani 1 1 d D . . . .
F3 F 0.6667(8) -0.2217(7) 1.2794(8) 0.105(3) Uani 1 1 d D . . . .
C48 C 0.6320(9) -0.0657(8) 1.2199(8) 0.053(3) Uani 1 1 d . . . . .
H48 H 0.5668 -0.0464 1.1895 0.063 Uiso 1 1 calc R . . . .
C49 C 0.6941(10) -0.1566(8) 1.2714(8) 0.056(3) Uani 1 1 d D . . . .
C50 C 0.7948(10) -0.1917(9) 1.3214(8) 0.059(3) Uani 1 1 d . . . . .
H50 H 0.8381 -0.2569 1.3581 0.071 Uiso 1 1 calc R . . . .
C51 C 0.8227(8) -0.1269(9) 1.3128(8) 0.054(3) Uani 1 1 d . . . . .
H51 H 0.8879 -0.1473 1.3443 0.065 Uiso 1 1 calc R . . . .
C52 C 0.7601(8) -0.0299(8) 1.2592(7) 0.047(2) Uani 1 1 d . . . . .
C53 C 0.7889(9) 0.0387(9) 1.2510(8) 0.057(3) Uani 1 1 d . . . . .
H53 H 0.8537 0.0189 1.2832 0.069 Uiso 1 1 calc R . . . .
C54 C 0.7267(11) 0.1330(9) 1.1981(9) 0.068(3) Uani 1 1 d . . . . .
H54 H 0.7480 0.1778 1.1935 0.082 Uiso 1 1 calc R . . . .
C55 C 0.6312(11) 0.1618(9) 1.1510(9) 0.067(4) Uani 1 1 d . . . . .
H55 H 0.5877 0.2269 1.1136 0.080 Uiso 1 1 calc R . . . .
C56 C 0.5995(8) 0.0981(8) 1.1576(7) 0.055(3) Uani 1 1 d . . . . .
H56 H 0.5340 0.1199 1.1260 0.066 Uiso 1 1 calc R . . . .
C57 C 0.6618(8) 0.0011(8) 1.2103(7) 0.045(2) Uani 1 1 d . . . . .
F4 F 1.0949(19) -0.2620(12) 1.083(2) 0.163(8) Uani 0.5 1 d D U P B 1
C58 C 1.0594(10) -0.1034(11) 0.9735(11) 0.083(4) Uani 1 1 d D . . . .
H58 H 1.0851 -0.1191 0.9183 0.099 Uiso 1 1 calc R . . . .
C59 C 1.0654(10) -0.1732(11) 1.0674(12) 0.101(4) Uani 1 1 d D U . . .
H59 H 1.0961 -0.2360 1.0757 0.122 Uiso 0.5 1 calc R . P B 2
C60 C 1.0287(11) -0.1561(10) 1.1508(12) 0.108(5) Uani 1 1 d D U . . .
H60 H 1.0306 -0.2051 1.2143 0.130 Uiso 1 1 calc R . . . .
C61 C 0.9891(11) -0.0647(9) 1.1378(10) 0.087(5) Uani 1 1 d D . . . .
H61 H 0.9643 -0.0507 1.1943 0.105 Uiso 1 1 calc R . . . .
C62 C 0.9845(9) 0.0070(9) 1.0446(10) 0.070(4) Uani 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag4 3.0312(10) 2_666 ?
Ag1 C1 2.048(9) . ?
Ag1 C35 2.051(9) . ?
Ag2 Ag3 3.2507(11) 2_667 ?
Ag2 C2 2.057(8) . ?
Ag2 C34 2.062(9) . ?
Ag3 Ag2 3.2506(10) 2_667 ?
Ag3 C3 2.059(9) . ?
Ag3 C33 2.043(9) . ?
Ag4 Ag1 3.0313(10) 2_666 ?
Ag4 C4 2.062(8) . ?
Ag4 C32 2.068(9) . ?
Fe1 N1 1.948(7) . ?
Fe1 N2 1.974(6) . ?
Fe1 N3 1.947(7) . ?
Fe1 N4 1.971(6) . ?
Fe1 N5 2.015(6) . ?
Fe1 N16 2.017(6) . ?
Fe2 N8 2.180(7) 1_546 ?
Fe2 N9 2.143(7) 1_456 ?
Fe2 N10 2.136(7) 1_455 ?
Fe2 N11 2.155(7) . ?
Fe2 N12 2.146(7) 1_556 ?
Fe2 N13 2.168(7) 1_465 ?
O1 C10 1.355(9) . ?
O1 C11 1.371(9) . ?
O2 C41 1.373(9) . ?
O2 C42 1.369(9) . ?
N1 C1 1.148(11) . ?
N2 C2 1.138(10) . ?
N3 C3 1.134(11) . ?
N4 C4 1.129(10) . ?
N5 C5 1.358(10) . ?
N5 C9 1.335(10) . ?
N6 N7 1.406(9) . ?
N6 C10 1.303(11) . ?
N7 C11 1.283(11) . ?
N8 Fe2 2.180(7) 1_564 ?
N8 C14 1.328(10) . ?
N8 C15 1.336(10) . ?
N9 Fe2 2.143(7) 1_654 ?
N9 C32 1.142(11) . ?
N10 Fe2 2.136(7) 1_655 ?
N10 C33 1.145(11) . ?
N11 C34 1.148(11) . ?
N12 Fe2 2.146(7) 1_554 ?
N12 C35 1.134(11) . ?
N13 Fe2 2.168(7) 1_645 ?
N13 C36 1.345(11) . ?
N13 C40 1.319(11) . ?
N14 N15 1.398(8) . ?
N14 C41 1.290(11) . ?
N15 C42 1.297(11) . ?
N16 C45 1.345(10) . ?
N16 C46 1.345(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.364(10) . ?
C6 H6 0.9500 . ?
C6 C7 1.378(11) . ?
C7 C8 1.396(12) . ?
C7 C10 1.454(10) . ?
C8 H8 0.9500 . ?
C8 C9 1.367(12) . ?
C9 H9 0.9500 . ?
C11 C12 1.480(11) . ?
C12 C13 1.393(11) . ?
C12 C16 1.358(11) . ?
C13 H13 0.9500 . ?
C13 C14 1.386(10) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.377(12) . ?
C16 H16 0.9500 . ?
C36 H36 0.9500 . ?
C36 C37 1.378(11) . ?
C37 H37 0.9500 . ?
C37 C38 1.395(11) . ?
C38 C39 1.381(12) . ?
C38 C41 1.451(10) . ?
C39 H39 0.9500 . ?
C39 C40 1.402(12) . ?
C40 H40 0.9500 . ?
C42 C43 1.446(10) . ?
C43 C44 1.413(11) . ?
C43 C47 1.387(12) . ?
C44 H44 0.9500 . ?
C44 C45 1.363(10) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C46 C47 1.393(11) . ?
C47 H47 0.9500 . ?
F1 C18 1.331(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.377(16) . ?
C17 C22 1.379(17) . ?
C18 C19 1.350(15) . ?
C19 H19 0.9500 . ?
C19 C20 1.393(16) . ?
C20 C21 1.431(15) . ?
C20 C23 1.408(15) . ?
C21 C22 1.417(15) . ?
C21 C26 1.373(16) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C23 C24 1.391(18) . ?
C24 H24 0.9500 . ?
C24 C25 1.417(19) . ?
C25 H25 0.9500 . ?
C25 C26 1.376(18) . ?
C26 H26 0.9500 . ?
F2 C28 1.349(9) . ?
C27 H27 0.9500 . ?
C27 C28 1.374(9) . ?
C27 C31 1.383(9) . ?
C28 H28 0.9500 . ?
C28 C29 1.370(9) . ?
C29 H29 0.9500 . ?
C29 C30 1.43(2) 2_576 ?
C30 C29 1.43(2) 2_576 ?
C30 H30 0.9500 . ?
C30 C31 1.386(9) . ?
C31 C31 1.39(2) 2_576 ?
F3 C49 1.340(8) . ?
C48 H48 0.9500 . ?
C48 C49 1.330(16) . ?
C48 C57 1.387(16) . ?
C49 C50 1.458(18) . ?
C50 H50 0.9500 . ?
C50 C51 1.337(17) . ?
C51 H51 0.9500 . ?
C51 C52 1.406(16) . ?
C52 C53 1.411(16) . ?
C52 C57 1.438(14) . ?
C53 H53 0.9500 . ?
C53 C54 1.372(18) . ?
C54 H54 0.9500 . ?
C54 C55 1.40(2) . ?
C55 H55 0.9500 . ?
C55 C56 1.367(18) . ?
C56 H56 0.9500 . ?
C56 C57 1.406(15) . ?
F4 C59 1.341(9) . ?
C58 H58 0.9500 . ?
C58 C59 1.365(9) . ?
C58 C62 1.44(2) 2_757 ?
C59 H59 0.9500 . ?
C59 C60 1.379(9) . ?
C60 H60 0.9500 . ?
C60 C61 1.380(9) . ?
C61 H61 0.9500 . ?
C61 C62 1.383(9) . ?
C62 C58 1.44(2) 2_757 ?
C62 C62 1.41(2) 2_757 ?

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
C1 Ag1 Ag4 96.2(2) . 2_666 ?
C1 Ag1 C35 174.5(3) . . ?
C35 Ag1 Ag4 88.7(2) . 2_666 ?
C2 Ag2 Ag3 94.6(2) . 2_667 ?
C2 Ag2 C34 175.5(3) . . ?
C34 Ag2 Ag3 89.7(3) . 2_667 ?
C3 Ag3 Ag2 90.3(2) . 2_667 ?
C33 Ag3 Ag2 92.4(2) . 2_667 ?
C33 Ag3 C3 177.2(4) . . ?
C4 Ag4 Ag1 87.9(2) . 2_666 ?
C4 Ag4 C32 178.9(4) . . ?
C32 Ag4 Ag1 92.7(2) . 2_666 ?
N1 Fe1 N2 89.4(3) . . ?
N1 Fe1 N4 90.5(3) . . ?
N1 Fe1 N5 89.1(3) . . ?
N1 Fe1 N16 90.5(3) . . ?
N2 Fe1 N5 90.6(3) . . ?
N2 Fe1 N16 90.0(2) . . ?
N3 Fe1 N1 178.1(2) . . ?
N3 Fe1 N2 90.4(3) . . ?
N3 Fe1 N4 89.7(3) . . ?
N3 Fe1 N5 89.0(3) . . ?
N3 Fe1 N16 91.5(3) . . ?
N4 Fe1 N2 179.5(2) . . ?
N4 Fe1 N5 89.9(3) . . ?
N4 Fe1 N16 89.5(2) . . ?
N5 Fe1 N16 179.3(2) . . ?
N9 Fe2 N8 88.8(2) 1_456 1_546 ?
N9 Fe2 N11 179.2(3) 1_456 . ?
N9 Fe2 N12 92.6(3) 1_456 1_556 ?
N9 Fe2 N13 89.8(3) 1_456 1_465 ?
N10 Fe2 N8 91.9(3) 1_455 1_546 ?
N10 Fe2 N9 89.0(3) 1_455 1_456 ?
N10 Fe2 N11 90.8(3) 1_455 . ?
N10 Fe2 N12 177.0(2) 1_455 1_556 ?
N10 Fe2 N13 87.6(3) 1_455 1_465 ?
N11 Fe2 N8 90.5(2) . 1_546 ?
N11 Fe2 N13 91.0(3) . 1_465 ?
N12 Fe2 N8 90.7(3) 1_556 1_546 ?
N12 Fe2 N11 87.6(3) 1_556 . ?
N12 Fe2 N13 89.9(3) 1_556 1_465 ?
N13 Fe2 N8 178.4(2) 1_465 1_546 ?
C10 O1 C11 101.2(6) . . ?
C42 O2 C41 101.6(6) . . ?
C1 N1 Fe1 174.5(7) . . ?
C2 N2 Fe1 177.9(7) . . ?
C3 N3 Fe1 171.6(6) . . ?
C4 N4 Fe1 177.8(6) . . ?
C5 N5 Fe1 119.9(5) . . ?
C9 N5 Fe1 122.9(6) . . ?
C9 N5 C5 117.2(7) . . ?
C10 N6 N7 105.5(7) . . ?
C11 N7 N6 105.9(7) . . ?
C14 N8 Fe2 117.7(5) . 1_564 ?
C14 N8 C15 118.3(7) . . ?
C15 N8 Fe2 124.0(6) . 1_564 ?
C32 N9 Fe2 174.4(7) . 1_654 ?
C33 N10 Fe2 167.4(7) . 1_655 ?
C34 N11 Fe2 175.4(7) . . ?
C35 N12 Fe2 171.1(7) . 1_554 ?
C36 N13 Fe2 119.9(5) . 1_645 ?
C40 N13 Fe2 123.1(6) . 1_645 ?
C40 N13 C36 117.0(8) . . ?
C41 N14 N15 106.3(6) . . ?
C42 N15 N14 106.3(7) . . ?
C45 N16 Fe1 120.2(5) . . ?
C46 N16 Fe1 122.0(5) . . ?
C46 N16 C45 117.9(7) . . ?
N1 C1 Ag1 173.7(7) . . ?
N2 C2 Ag2 176.5(7) . . ?
N3 C3 Ag3 174.6(7) . . ?
N4 C4 Ag4 173.7(7) . . ?
N5 C5 H5 118.7 . . ?
N5 C5 C6 122.6(7) . . ?
C6 C5 H5 118.7 . . ?
C5 C6 H6 119.9 . . ?
C5 C6 C7 120.1(7) . . ?
C7 C6 H6 119.9 . . ?
C6 C7 C8 117.5(7) . . ?
C6 C7 C10 119.7(7) . . ?
C8 C7 C10 122.8(7) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 C7 119.3(8) . . ?
C9 C8 H8 120.3 . . ?
N5 C9 C8 123.3(8) . . ?
N5 C9 H9 118.3 . . ?
C8 C9 H9 118.3 . . ?
O1 C10 C7 122.2(7) . . ?
N6 C10 O1 113.5(7) . . ?
N6 C10 C7 124.3(7) . . ?
O1 C11 C12 119.9(7) . . ?
N7 C11 O1 113.8(7) . . ?
N7 C11 C12 126.2(7) . . ?
C13 C12 C11 115.5(7) . . ?
C16 C12 C11 124.7(7) . . ?
C16 C12 C13 119.8(7) . . ?
C12 C13 H13 121.2 . . ?
C14 C13 C12 117.7(7) . . ?
C14 C13 H13 121.2 . . ?
N8 C14 C13 122.7(7) . . ?
N8 C14 H14 118.6 . . ?
C13 C14 H14 118.6 . . ?
N8 C15 H15 118.5 . . ?
N8 C15 C16 122.9(8) . . ?
C16 C15 H15 118.5 . . ?
C12 C16 C15 118.6(7) . . ?
C12 C16 H16 120.7 . . ?
C15 C16 H16 120.7 . . ?
N9 C32 Ag4 175.3(8) . . ?
N10 C33 Ag3 177.3(9) . . ?
N11 C34 Ag2 176.5(8) . . ?
N12 C35 Ag1 174.7(8) . . ?
N13 C36 H36 118.1 . . ?
N13 C36 C37 123.8(8) . . ?
C37 C36 H36 118.1 . . ?
C36 C37 H37 121.0 . . ?
C36 C37 C38 118.0(8) . . ?
C38 C37 H37 121.0 . . ?
C37 C38 C41 118.1(7) . . ?
C39 C38 C37 119.4(7) . . ?
C39 C38 C41 122.5(7) . . ?
C38 C39 H39 121.3 . . ?
C38 C39 C40 117.4(8) . . ?
C40 C39 H39 121.3 . . ?
N13 C40 C39 124.2(9) . . ?
N13 C40 H40 117.9 . . ?
C39 C40 H40 117.9 . . ?
O2 C41 C38 120.8(7) . . ?
N14 C41 O2 113.0(7) . . ?
N14 C41 C38 126.2(7) . . ?
O2 C42 C43 121.5(7) . . ?
N15 C42 O2 112.8(6) . . ?
N15 C42 C43 125.6(7) . . ?
C44 C43 C42 117.1(7) . . ?
C47 C43 C42 125.3(7) . . ?
C47 C43 C44 117.7(7) . . ?
C43 C44 H44 120.6 . . ?
C45 C44 C43 118.8(7) . . ?
C45 C44 H44 120.6 . . ?
N16 C45 C44 123.8(8) . . ?
N16 C45 H45 118.1 . . ?
C44 C45 H45 118.1 . . ?
N16 C46 H46 118.9 . . ?
N16 C46 C47 122.1(7) . . ?
C47 C46 H46 118.9 . . ?
C43 C47 C46 119.7(7) . . ?
C43 C47 H47 120.2 . . ?
C46 C47 H47 120.2 . . ?
C18 C17 H17 121.4 . . ?
C18 C17 C22 117.1(11) . . ?
C22 C17 H17 121.4 . . ?
F1 C18 C17 117.4(11) . . ?
F1 C18 C19 117.1(11) . . ?
C19 C18 C17 125.5(10) . . ?
C18 C19 H19 120.9 . . ?
C18 C19 C20 118.2(10) . . ?
C20 C19 H19 120.9 . . ?
C19 C20 C21 119.8(10) . . ?
C19 C20 C23 121.9(10) . . ?
C23 C20 C21 118.3(11) . . ?
C22 C21 C20 118.2(10) . . ?
C26 C21 C20 118.9(10) . . ?
C26 C21 C22 122.8(11) . . ?
C17 C22 C21 121.2(10) . . ?
C17 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C20 C23 H23 119.6 . . ?
C24 C23 C20 120.9(11) . . ?
C24 C23 H23 119.6 . . ?
C23 C24 H24 119.7 . . ?
C23 C24 C25 120.5(12) . . ?
C25 C24 H24 119.7 . . ?
C24 C25 H25 121.2 . . ?
C26 C25 C24 117.6(14) . . ?
C26 C25 H25 121.2 . . ?
C21 C26 C25 123.9(12) . . ?
C21 C26 H26 118.1 . . ?
C25 C26 H26 118.1 . . ?
C28 C27 H27 120.4 . . ?
C28 C27 C31 119.2(11) . . ?
C31 C27 H27 120.4 . . ?
F2 C28 C27 125.3(16) . . ?
F2 C28 C29 109.9(16) . . ?
C27 C28 H28 117.6 . . ?
C29 C28 C27 124.8(13) . . ?
C29 C28 H28 117.6 . . ?
C28 C29 H29 122.9 . . ?
C28 C29 C30 114.2(14) . 2_576 ?
C30 C29 H29 122.9 2_576 . ?
C29 C30 H30 118.4 2_576 . ?
C31 C30 C29 123.2(12) . 2_576 ?
C31 C30 H30 118.4 . . ?
C27 C31 C30 121.4(11) . . ?
C27 C31 C31 120.0(13) . 2_576 ?
C30 C31 C31 118.6(13) . 2_576 ?
C49 C48 H48 119.8 . . ?
C49 C48 C57 120.3(11) . . ?
C57 C48 H48 119.8 . . ?
F3 C49 C50 116.1(12) . . ?
C48 C49 F3 120.9(12) . . ?
C48 C49 C50 123.0(10) . . ?
C49 C50 H50 121.9 . . ?
C51 C50 C49 116.3(11) . . ?
C51 C50 H50 121.9 . . ?
C50 C51 H51 118.4 . . ?
C50 C51 C52 123.1(11) . . ?
C52 C51 H51 118.4 . . ?
C51 C52 C53 123.3(11) . . ?
C51 C52 C57 118.4(11) . . ?
C53 C52 C57 118.3(10) . . ?
C52 C53 H53 118.8 . . ?
C54 C53 C52 122.3(12) . . ?
C54 C53 H53 118.8 . . ?
C53 C54 H54 120.7 . . ?
C53 C54 C55 118.6(14) . . ?
C55 C54 H54 120.7 . . ?
C54 C55 H55 119.4 . . ?
C56 C55 C54 121.3(12) . . ?
C56 C55 H55 119.4 . . ?
C55 C56 H56 119.3 . . ?
C55 C56 C57 121.5(11) . . ?
C57 C56 H56 119.3 . . ?
C48 C57 C52 118.8(10) . . ?
C48 C57 C56 123.1(11) . . ?
C56 C57 C52 118.0(11) . . ?
C59 C58 H58 119.0 . . ?
C59 C58 C62 122.1(13) . 2_757 ?
C62 C58 H58 119.0 2_757 . ?
F4 C59 C58 123.9(16) . . ?
F4 C59 C60 113.0(16) . . ?
C58 C59 H59 118.7 . . ?
C58 C59 C60 122.6(11) . . ?
C60 C59 H59 118.7 . . ?
C59 C60 H60 121.5 . . ?
C59 C60 C61 117.0(10) . . ?
C61 C60 H60 121.5 . . ?
C60 C61 H61 119.2 . . ?
C60 C61 C62 121.6(11) . . ?
C62 C61 H61 119.2 . . ?
C61 C62 C58 123.3(11) . 2_757 ?
C61 C62 C62 122.8(15) . 2_757 ?
C62 C62 C58 113.7(15) 2_757 2_757 ?

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
Fe1 N5 C5 C6 -175.4(6) . . . . ?
Fe1 N5 C9 C8 176.4(7) . . . . ?
Fe1 N16 C45 C44 175.4(6) . . . . ?
Fe1 N16 C46 C47 -177.9(5) . . . . ?
Fe2 N8 C14 C13 177.8(6) 1_564 . . . ?
Fe2 N8 C15 C16 -177.7(6) 1_564 . . . ?
Fe2 N13 C36 C37 -176.0(7) 1_645 . . . ?
Fe2 N13 C40 C39 176.7(8) 1_645 . . . ?
O1 C11 C12 C13 -172.9(7) . . . . ?
O1 C11 C12 C16 8.4(12) . . . . ?
O2 C42 C43 C44 -171.2(7) . . . . ?
O2 C42 C43 C47 8.8(12) . . . . ?
N5 C5 C6 C7 -1.1(12) . . . . ?
N6 N7 C11 O1 1.1(9) . . . . ?
N6 N7 C11 C12 -175.4(7) . . . . ?
N7 N6 C10 O1 1.0(9) . . . . ?
N7 N6 C10 C7 179.1(7) . . . . ?
N7 C11 C12 C13 3.4(12) . . . . ?
N7 C11 C12 C16 -175.2(8) . . . . ?
N8 C15 C16 C12 -0.6(12) . . . . ?
N13 C36 C37 C38 -2.0(14) . . . . ?
N14 N15 C42 O2 0.2(9) . . . . ?
N14 N15 C42 C43 -176.7(7) . . . . ?
N15 N14 C41 O2 -1.1(9) . . . . ?
N15 N14 C41 C38 179.5(8) . . . . ?
N15 C42 C43 C44 5.5(12) . . . . ?
N15 C42 C43 C47 -174.6(8) . . . . ?
N16 C46 C47 C43 1.4(11) . . . . ?
C5 N5 C9 C8 -0.1(12) . . . . ?
C5 C6 C7 C8 -0.2(12) . . . . ?
C5 C6 C7 C10 179.0(8) . . . . ?
C6 C7 C8 C9 1.3(12) . . . . ?
C6 C7 C10 O1 164.1(7) . . . . ?
C6 C7 C10 N6 -13.9(12) . . . . ?
C7 C8 C9 N5 -1.2(14) . . . . ?
C8 C7 C10 O1 -16.8(12) . . . . ?
C8 C7 C10 N6 165.3(8) . . . . ?
C9 N5 C5 C6 1.3(11) . . . . ?
C10 O1 C11 N7 -0.5(9) . . . . ?
C10 O1 C11 C12 176.3(7) . . . . ?
C10 N6 N7 C11 -1.2(9) . . . . ?
C10 C7 C8 C9 -177.8(8) . . . . ?
C11 O1 C10 N6 -0.3(9) . . . . ?
C11 O1 C10 C7 -178.5(7) . . . . ?
C11 C12 C13 C14 -179.3(7) . . . . ?
C11 C12 C16 C15 179.1(7) . . . . ?
C12 C13 C14 N8 0.6(12) . . . . ?
C13 C12 C16 C15 0.6(12) . . . . ?
C14 N8 C15 C16 0.7(12) . . . . ?
C15 N8 C14 C13 -0.7(11) . . . . ?
C16 C12 C13 C14 -0.6(11) . . . . ?
C36 N13 C40 C39 -2.9(14) . . . . ?
C36 C37 C38 C39 -0.6(13) . . . . ?
C36 C37 C38 C41 179.3(8) . . . . ?
C37 C38 C39 C40 1.3(13) . . . . ?
C37 C38 C41 O2 164.5(7) . . . . ?
C37 C38 C41 N14 -16.2(13) . . . . ?
C38 C39 C40 N13 0.5(15) . . . . ?
C39 C38 C41 O2 -15.6(13) . . . . ?
C39 C38 C41 N14 163.7(9) . . . . ?
C40 N13 C36 C37 3.6(14) . . . . ?
C41 O2 C42 N15 -0.8(8) . . . . ?
C41 O2 C42 C43 176.3(7) . . . . ?
C41 N14 N15 C42 0.6(9) . . . . ?
C41 C38 C39 C40 -178.6(8) . . . . ?
C42 O2 C41 N14 1.2(8) . . . . ?
C42 O2 C41 C38 -179.4(7) . . . . ?
C42 C43 C44 C45 178.7(7) . . . . ?
C42 C43 C47 C46 179.0(7) . . . . ?
C43 C44 C45 N16 3.6(12) . . . . ?
C44 C43 C47 C46 -1.1(11) . . . . ?
C45 N16 C46 C47 0.8(11) . . . . ?
C46 N16 C45 C44 -3.4(11) . . . . ?
C47 C43 C44 C45 -1.3(11) . . . . ?
F1 C18 C19 C20 -179.9(9) . . . . ?
C17 C18 C19 C20 -0.6(15) . . . . ?
C18 C17 C22 C21 0.3(15) . . . . ?
C18 C19 C20 C21 1.3(13) . . . . ?
C18 C19 C20 C23 -180.0(9) . . . . ?
C19 C20 C21 C22 -1.3(13) . . . . ?
C19 C20 C21 C26 -178.7(9) . . . . ?
C19 C20 C23 C24 179.9(9) . . . . ?
C20 C21 C22 C17 0.4(14) . . . . ?
C20 C21 C26 C25 -2.7(16) . . . . ?
C20 C23 C24 C25 0.1(15) . . . . ?
C21 C20 C23 C24 -1.4(13) . . . . ?
C22 C17 C18 F1 179.1(10) . . . . ?
C22 C17 C18 C19 -0.3(16) . . . . ?
C22 C21 C26 C25 180.0(10) . . . . ?
C23 C20 C21 C22 180.0(8) . . . . ?
C23 C20 C21 C26 2.6(13) . . . . ?
C23 C24 C25 C26 -0.1(15) . . . . ?
C24 C25 C26 C21 1.5(16) . . . . ?
C26 C21 C22 C17 177.7(10) . . . . ?
F2 C28 C29 C30 -179(2) . . . 2_576 ?
C27 C28 C29 C30 3(3) . . . 2_576 ?
C28 C27 C31 C30 -179.8(15) . . . . ?
C28 C27 C31 C31 -3(2) . . . 2_576 ?
C29 C30 C31 C27 176.8(15) 2_576 . . . ?
C29 C30 C31 C31 0(3) 2_576 . . 2_576 ?
C31 C27 C28 F2 -178(2) . . . . ?
C31 C27 C28 C29 0(3) . . . . ?
F3 C49 C50 C51 179.3(9) . . . . ?
C48 C49 C50 C51 -0.2(15) . . . . ?
C49 C48 C57 C52 -1.5(14) . . . . ?
C49 C48 C57 C56 -179.5(9) . . . . ?
C49 C50 C51 C52 0.2(15) . . . . ?
C50 C51 C52 C53 179.2(10) . . . . ?
C50 C51 C52 C57 -0.8(14) . . . . ?
C51 C52 C53 C54 179.8(10) . . . . ?
C51 C52 C57 C48 1.4(13) . . . . ?
C51 C52 C57 C56 179.5(8) . . . . ?
C52 C53 C54 C55 0.2(17) . . . . ?
C53 C52 C57 C48 -178.6(9) . . . . ?
C53 C52 C57 C56 -0.5(13) . . . . ?
C53 C54 C55 C56 0.5(17) . . . . ?
C54 C55 C56 C57 -1.2(16) . . . . ?
C55 C56 C57 C48 179.2(9) . . . . ?
C55 C56 C57 C52 1.2(13) . . . . ?
C57 C48 C49 F3 -178.6(9) . . . . ?
C57 C48 C49 C50 0.8(15) . . . . ?
C57 C52 C53 C54 -0.2(15) . . . . ?
F4 C59 C60 C61 -174.7(19) . . . . ?
C58 C59 C60 C61 -3(2) . . . . ?
C59 C60 C61 C62 1(2) . . . . ?
C60 C61 C62 C58 177.6(14) . . . 2_757 ?
C60 C61 C62 C62 3(3) . . . 2_757 ?
C62 C58 C59 F4 171.6(19) 2_757 . . . ?
C62 C58 C59 C60 1(2) 2_757 . . . ?


# start Validation Reply Form
_vrf_PLAT097_1-195K              
;
PROBLEM: Large Reported Max.  (Positive) Residual Density   5.29 eA-3.  
RESPONSE: There are satellite peaks around the heavy metal atom Ag. 
This is common in the Hofmann-type metal-organic framework with
the intermediate spin states, which can't be corrected by 
the absorption correction.
;
# end Validation Reply Form
