# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_a
_database_code_depnum_ccdc_archive 'CCDC 2130111'
loop_
_audit_author_name
_audit_author_address
'kaiping xie'
;Sun Yat Sen University School of Chemistry
China
;
_audit_update_record             
;
2021-12-21 deposited with the CCDC.	2022-02-28 downloaded from the CCDC.
;
_audit_creation_date             2021-11-17
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H14 Ag2 Fe N6, 1.5(C10 H7 F)'
_chemical_formula_sum            'C39 H24.50 Ag2 F1.50 Fe N6'
_chemical_formula_weight         877.23
_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'
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'
Fe Fe 0.3463 0.8444 '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'

_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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.051(3)
_cell_length_b                   14.722(3)
_cell_length_c                   31.201(7)
_cell_angle_alpha                90
_cell_angle_beta                 94.690(8)
_cell_angle_gamma                90
_cell_volume                     6890(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    8393
_cell_measurement_temperature    90.03
_cell_measurement_theta_max      26.26
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   0.808
_shelx_estimated_absorpt_T_min   0.742
_exptl_absorpt_coefficient_mu    1.587
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6673
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3472
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0460
_diffrn_reflns_av_unetI/netI     0.0541
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            40170
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.303
_diffrn_reflns_theta_min         2.276
_diffrn_ambient_temperature      90.03
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11575
_reflns_number_total             13832
_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    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.271
_refine_diff_density_min         -1.276
_refine_diff_density_rms         0.129
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.237
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     939
_refine_ls_number_reflns         13832
_refine_ls_number_restraints     120
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0645
_refine_ls_restrained_S_all      1.239
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+48.9115P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1328
_refine_ls_wR_factor_ref         0.1385
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
C50 \\sim C49 \\sim C58 \\sim C57 \\sim C56 \\sim C55: within 1.7A with sigma
of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
C5 \\sim C1 \\sim C2 \\sim C4: within 1.7A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 1.7A
C59 \\sim C60 \\sim C61 \\sim C62 \\sim C67 \\sim C66 \\sim C65: within 1.7A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
F4 \\sim F3: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 2A
Uanis(C4) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C1) \\sim
Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C2) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C4) \\sim
Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C1) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(F1) \\sim Ueq, Uanis(C60) \\sim Ueq, Uanis(F2) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C1A) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
3. Others
 Sof(C1A)=Sof(H1A)=Sof(C2A)=Sof(H2A)=Sof(C5A)=Sof(H5A)=Sof(C4A)=Sof(H4A)=1-
 FVAR(1)
 Sof(C5)=Sof(H5)=Sof(C4)=Sof(H4)=Sof(C1)=Sof(H1)=Sof(C2)=Sof(H2)=FVAR(1)
 Sof(H77)=Sof(F4)=1-FVAR(2)
 Sof(H69)=Sof(F3)=FVAR(2)
4.a Aromatic/amide H refined with riding coordinates:
 C33(H33), C32(H32), C47(H47), C42(H42), C12(H12), C11(H11), C13(H13),
 C48(H48), C36(H36), C35(H35), C30(H30), C17(H17), C18(H18), C41(H41), C19(H19),
  C40(H40), C29(H29), C46(H46), C39(H39), C8(H8), C45(H45), C14(H14), C72(H72),
 C20(H20), C77(H77), C69(H69), C7(H7), C71(H71), C75(H75), C74(H74), C62(H62),
 C64(H64), C76(H76), C54(H54), C61(H61), C67(H67), C5(H5), C70(H70), C50(H50),
 C52(H52), C66(H66), C65(H65), C60(H60), C51(H51), C57(H57), C56(H56), C55(H55),
  C4(H4), C1(H1), C2(H2), C1A(H1A), C2A(H2A), C5A(H5A), C4A(H4A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag4 Ag 0.79715(3) 0.48582(3) 0.54517(2) 0.02046(12) Uani 1 1 d . . . . .
Ag1 Ag 0.30634(3) 0.49976(3) 0.54547(2) 0.01980(12) Uani 1 1 d . . . . .
Ag3 Ag 0.78682(3) -0.00975(3) 0.55081(2) 0.02379(12) Uani 1 1 d . . . . .
Ag2 Ag 0.28130(3) 0.01025(3) 0.54711(2) 0.02465(12) Uani 1 1 d . . . . .
Fe1 Fe 0.54390(5) 0.24138(5) 0.54604(2) 0.01061(17) Uani 1 1 d . . . . .
Fe2 Fe 1.04611(5) 0.74459(5) 0.55409(2) 0.01081(17) Uani 1 1 d . . . . .
N7 N 0.1517(3) 0.6492(3) 0.55281(15) 0.0187(11) Uani 1 1 d . . . . .
N12 N 1.0514(3) 0.7260(3) 0.98593(16) 0.0182(11) Uani 1 1 d . . . . .
N5 N 0.6294(4) 0.1371(4) 0.55294(16) 0.0222(12) Uani 1 1 d . . . . .
N11 N 1.0563(3) 0.7181(3) 0.62300(16) 0.0160(10) Uani 1 1 d . . . . .
N1 N 0.5464(3) 0.2226(4) 0.47969(16) 0.0192(11) Uani 1 1 d . . . . .
N2 N 0.5463(3) 0.2428(3) 0.11280(16) 0.0174(10) Uani 1 1 d . . . . .
N6 N 0.6466(3) 0.3298(4) 0.54663(16) 0.0196(11) Uani 1 1 d . . . . .
N3 N 0.4575(3) 0.3469(4) 0.53871(15) 0.0172(11) Uani 1 1 d . . . . .
C43 C 1.0536(3) 0.5972(4) 0.78144(19) 0.0158(12) Uani 1 1 d . . . . .
C33 C 1.1369(3) 0.7279(4) 0.64588(18) 0.0123(11) Uani 1 1 d . . . . .
H33 H 1.186795 0.746291 0.631184 0.015 Uiso 1 1 calc R U . . .
N10 N 0.9481(3) 0.6409(4) 0.54512(15) 0.0194(11) Uani 1 1 d . . . . .
N4 N 0.4410(3) 0.1551(4) 0.54688(16) 0.0209(11) Uani 1 1 d . . . . .
N9 N 0.9440(4) -0.1579(4) 0.55698(17) 0.0234(12) Uani 1 1 d . . . . .
C32 C 1.1488(4) 0.7121(4) 0.68984(19) 0.0185(12) Uani 1 1 d . . . . .
H32 H 1.206158 0.719167 0.704579 0.022 Uiso 1 1 calc R U . . .
C47 C 0.9841(4) 0.6904(4) 0.95934(19) 0.0203(13) Uani 1 1 d . . . . .
H47 H 0.928366 0.679817 0.970744 0.024 Uiso 1 1 calc R U . . .
C38 C 1.0527(3) 0.5971(4) 0.82755(19) 0.0160(12) Uani 1 1 d . . . . .
N8 N 0.1396(3) -0.1466(4) 0.56189(17) 0.0239(12) Uani 1 1 d . . . . .
C22 C 0.2092(4) 0.5971(4) 0.55261(19) 0.0174(12) Uani 1 1 d . . . . .
C42 C 1.0291(4) 0.5152(4) 0.7587(2) 0.0219(13) Uani 1 1 d . . . . .
H42 H 1.029153 0.514117 0.728276 0.026 Uiso 1 1 calc R U . . .
C12 C 0.7561(4) 0.0578(4) 0.2806(2) 0.0230(14) Uani 1 1 d . . . . .
H12 H 0.800759 0.025557 0.267071 0.028 Uiso 1 1 calc R U . . .
C37 C 1.0807(3) 0.6768(4) 0.85154(19) 0.0147(12) Uani 1 1 d . . . . .
C10 C 0.6219(3) 0.1513(4) 0.27502(19) 0.0157(12) Uani 1 1 d . . . . .
C11 C 0.6906(4) 0.1034(4) 0.2560(2) 0.0192(13) Uani 1 1 d . . . . .
H11 H 0.691267 0.102818 0.225547 0.023 Uiso 1 1 calc R U . . .
C44 C 1.0711(4) 0.6873(4) 0.89842(19) 0.0154(12) Uani 1 1 d . . . . .
C13 C 0.7576(4) 0.0586(4) 0.3261(2) 0.0228(14) Uani 1 1 d . . . . .
H13 H 0.803870 0.028268 0.342930 0.027 Uiso 1 1 calc R U . . .
C34 C 1.0847(3) 0.6761(4) 0.76051(19) 0.0159(12) Uani 1 1 d . . . . .
C48 C 0.9920(4) 0.6687(4) 0.91670(19) 0.0193(13) Uani 1 1 d . . . . .
H48 H 0.943662 0.641171 0.900013 0.023 Uiso 1 1 calc R U . . .
C36 C 1.1182(4) 0.7487(4) 0.83003(19) 0.0169(12) Uani 1 1 d . . . . .
H36 H 1.142642 0.798871 0.846088 0.020 Uiso 1 1 calc R U . . .
C35 C 1.1204(4) 0.7482(4) 0.78470(19) 0.0167(12) Uani 1 1 d . . . . .
H35 H 1.146631 0.797694 0.770807 0.020 Uiso 1 1 calc R U . . .
C30 C 0.9942(4) 0.6752(4) 0.68879(19) 0.0181(12) Uani 1 1 d . . . . .
H30 H 0.943529 0.656092 0.702665 0.022 Uiso 1 1 calc R U . . .
C31 C 1.0765(4) 0.6858(4) 0.71251(18) 0.0141(11) Uani 1 1 d . . . . .
C9 C 0.5517(4) 0.1991(4) 0.2501(2) 0.0201(13) Uani 1 1 d . . . . .
C16 C 0.5516(4) 0.2121(4) 0.20287(19) 0.0173(12) Uani 1 1 d . . . . .
C17 C 0.6265(4) 0.2400(4) 0.1829(2) 0.0191(13) Uani 1 1 d . . . . .
H17 H 0.681585 0.248467 0.199578 0.023 Uiso 1 1 calc R U . . .
C15 C 0.6221(4) 0.1496(4) 0.3211(2) 0.0179(12) Uani 1 1 d . . . . .
C78 C 1.1305(4) 0.3169(4) 0.6473(2) 0.0219(13) Uani 1 1 d . . . . .
C18 C 0.6216(4) 0.2554(4) 0.1389(2) 0.0191(13) Uani 1 1 d . . . . .
H18 H 0.673605 0.275900 0.126549 0.023 Uiso 1 1 calc R U . . .
C41 C 1.0058(4) 0.4387(4) 0.7798(2) 0.0240(14) Uani 1 1 d . . . . .
H41 H 0.990300 0.385025 0.763959 0.029 Uiso 1 1 calc R U . . .
C25 C 0.6816(4) 0.0810(5) 0.5526(2) 0.0225(14) Uani 1 1 d . . . . .
C19 C 0.4728(4) 0.2013(5) 0.1756(2) 0.0219(14) Uani 1 1 d . . . . .
H19 H 0.419357 0.182628 0.187231 0.026 Uiso 1 1 calc R U . . .
C40 C 1.0048(4) 0.4391(4) 0.8250(2) 0.0242(14) Uani 1 1 d . . . . .
H40 H 0.988640 0.385525 0.839451 0.029 Uiso 1 1 calc R U . . .
C21 C 0.4052(4) 0.4029(4) 0.5399(2) 0.0208(13) Uani 1 1 d . . . . .
C6 C 0.5509(4) 0.1922(5) 0.3412(2) 0.0240(14) Uani 1 1 d . . . . .
C29 C 0.9867(4) 0.6929(4) 0.64460(19) 0.0178(12) Uani 1 1 d . . . . .
H29 H 0.929901 0.686847 0.629187 0.021 Uiso 1 1 calc R U . . .
C27 C 0.7013(4) 0.3836(4) 0.54739(19) 0.0187(13) Uani 1 1 d . . . . .
C28 C 0.8935(4) 0.5865(5) 0.5445(2) 0.0226(14) Uani 1 1 d . . . . .
C46 C 1.1296(4) 0.7401(4) 0.96854(19) 0.0191(13) Uani 1 1 d . . . . .
H46 H 1.178893 0.762147 0.986510 0.023 Uiso 1 1 calc R U . . .
C24 C 0.1861(4) -0.0874(5) 0.5562(2) 0.0241(14) Uani 1 1 d . . . . .
C39 C 1.0270(4) 0.5164(4) 0.8482(2) 0.0211(13) Uani 1 1 d . . . . .
H39 H 1.025105 0.515747 0.878531 0.025 Uiso 1 1 calc R U . . .
C8 C 0.4827(4) 0.2344(6) 0.2711(2) 0.0339(17) Uani 1 1 d . . . . .
H8 H 0.433452 0.261116 0.254769 0.041 Uiso 1 1 calc R U . . .
C45 C 1.1410(4) 0.7235(4) 0.92544(19) 0.0175(12) Uani 1 1 d . . . . .
H45 H 1.196411 0.736925 0.914313 0.021 Uiso 1 1 calc R U . . .
C73 C 1.1710(4) 0.3077(4) 0.6074(2) 0.0236(14) Uani 1 1 d . . . . .
C14 C 0.6927(4) 0.1028(4) 0.3454(2) 0.0192(13) Uani 1 1 d . . . . .
H14 H 0.694082 0.102719 0.375937 0.023 Uiso 1 1 calc R U . . .
C26 C 0.8896(5) -0.1028(5) 0.55416(19) 0.0239(14) Uani 1 1 d . . . . .
C72 C 1.1404(4) 0.3634(5) 0.5723(2) 0.0257(14) Uani 1 1 d . . . . .
H72 H 1.166622 0.357816 0.545725 0.031 Uiso 1 1 calc R U . . .
C20 C 0.4729(4) 0.2178(4) 0.1319(2) 0.0181(12) Uani 1 1 d . . . . .
H20 H 0.418548 0.211133 0.114452 0.022 Uiso 1 1 calc R U . . .
C23 C 0.3832(4) 0.1053(5) 0.5460(2) 0.0234(14) Uani 1 1 d . . . . .
F2 F 0.4413(4) 0.0681(5) 0.7196(2) 0.087(2) Uani 1 1 d . U . . .
C3 C 0.5525(4) 0.1997(5) 0.3893(2) 0.0221(14) Uani 1 1 d . . . . .
C77 C 1.1591(5) 0.2575(5) 0.6810(2) 0.0279(15) Uani 1 1 d . . . . .
H77 H 1.133379 0.263448 0.707678 0.033 Uiso 0.345(11) 1 calc R U P A 2
C69 C 1.0632(4) 0.3828(5) 0.6497(2) 0.0310(16) Uani 1 1 d . . . . .
H69 H 1.036966 0.390515 0.676088 0.037 Uiso 0.655(11) 1 calc R U P A 1
F3 F 1.1176(4) 0.2666(5) 0.71923(19) 0.035(2) Uani 0.655(11) 1 d . . P A 1
C7 C 0.4831(5) 0.2320(6) 0.3162(2) 0.041(2) Uani 1 1 d . . . . .
H7 H 0.434955 0.258736 0.329531 0.049 Uiso 1 1 calc R U . . .
C71 C 1.0727(4) 0.4260(5) 0.5761(2) 0.0303(16) Uani 1 1 d . . . . .
H71 H 1.052187 0.462243 0.552053 0.036 Uiso 1 1 calc R U . . .
C63 C 0.6740(5) 0.0107(5) 0.7459(2) 0.0317(16) Uani 1 1 d . . . . .
C75 C 1.2620(4) 0.1835(5) 0.6376(2) 0.0292(15) Uani 1 1 d . . . . .
H75 H 1.306200 0.138471 0.634468 0.035 Uiso 1 1 calc R U . . .
C74 C 1.2374(4) 0.2394(5) 0.6039(2) 0.0274(15) Uani 1 1 d . . . . .
H74 H 1.264806 0.232895 0.577748 0.033 Uiso 1 1 calc R U . . .
C68 C 0.5824(5) 0.0306(5) 0.7520(2) 0.0332(16) Uani 1 1 d . . . . .
C62 C 0.7017(6) 0.0044(6) 0.7032(3) 0.047(2) Uani 1 1 d . U . . .
H62 H 0.761884 -0.009541 0.698791 0.056 Uiso 1 1 calc R U . . .
C64 C 0.7350(5) -0.0041(5) 0.7829(3) 0.0392(18) Uani 1 1 d . . . . .
H64 H 0.795523 -0.018543 0.779299 0.047 Uiso 1 1 calc R U . . .
C53 C 0.6903(4) 0.6848(5) 0.6079(2) 0.0306(16) Uani 1 1 d . . . . .
C76 C 1.2230(5) 0.1910(5) 0.6772(2) 0.0322(16) Uani 1 1 d . . . . .
H76 H 1.240123 0.151533 0.700522 0.039 Uiso 1 1 calc R U . . .
C54 C 0.6407(5) 0.6442(5) 0.5719(3) 0.0359(17) Uani 1 1 d . . . . .
H54 H 0.635917 0.673541 0.544730 0.043 Uiso 1 1 calc R U . . .
F1 F 0.7554(5) 0.6388(5) 0.7209(2) 0.102(2) Uani 1 1 d . U . . .
C61 C 0.6409(7) 0.0186(6) 0.6687(3) 0.051(2) Uani 1 1 d . U . . .
H61 H 0.659959 0.014866 0.640466 0.062 Uiso 1 1 calc R U . . .
C49 C 0.7464(5) 0.6850(6) 0.6830(2) 0.0432(18) Uani 1 1 d . U . . .
C67 C 0.5567(6) 0.0364(7) 0.7941(3) 0.057(2) Uani 1 1 d . U . . .
H67 H 0.496599 0.050176 0.798708 0.068 Uiso 1 1 calc R U . . .
C58 C 0.6997(5) 0.6395(5) 0.6478(2) 0.0375(17) Uani 1 1 d . U . . .
C5 C 0.5309(8) 0.1443(8) 0.4617(4) 0.016(2) Uani 0.615(14) 1 d . U P B 1
H5 H 0.517777 0.093642 0.478923 0.019 Uiso 0.615(14) 1 calc R U P B 1
C70 C 1.0342(5) 0.4360(5) 0.6155(2) 0.0320(16) Uani 1 1 d . . . . .
H70 H 0.988374 0.479452 0.618247 0.038 Uiso 1 1 calc R U . . .
C59 C 0.5249(6) 0.0444(6) 0.7144(3) 0.046(2) Uani 1 1 d . U . . .
C50 C 0.7815(5) 0.7691(7) 0.6803(3) 0.0433(19) Uani 1 1 d . U . . .
H50 H 0.811041 0.797575 0.704812 0.052 Uiso 1 1 calc R U . . .
C52 C 0.7290(5) 0.7720(5) 0.6046(2) 0.0349(17) Uani 1 1 d . . . . .
H52 H 0.724611 0.802569 0.577667 0.042 Uiso 1 1 calc R U . . .
C66 C 0.6165(7) 0.0227(7) 0.8281(3) 0.061(2) Uani 1 1 d . U . . .
H66 H 0.597285 0.026842 0.856328 0.074 Uiso 1 1 calc R U . . .
C65 C 0.7069(6) 0.0022(6) 0.8231(3) 0.053(2) Uani 1 1 d . U . . .
H65 H 0.747675 -0.006953 0.847576 0.063 Uiso 1 1 calc R U . . .
C60 C 0.5514(6) 0.0386(5) 0.6740(3) 0.0491(19) Uani 1 1 d . U . . .
H60 H 0.510046 0.047920 0.649708 0.059 Uiso 1 1 calc R U . . .
C51 C 0.7733(5) 0.8134(6) 0.6403(3) 0.043(2) Uani 1 1 d . . . . .
H51 H 0.798220 0.872158 0.637555 0.051 Uiso 1 1 calc R U . . .
C57 C 0.6583(7) 0.5534(6) 0.6514(3) 0.054(2) Uani 1 1 d . U . . .
H57 H 0.664585 0.521952 0.678054 0.065 Uiso 1 1 calc R U . . .
C56 C 0.6099(7) 0.5152(6) 0.6175(3) 0.060(2) Uani 1 1 d . U . . .
H56 H 0.582809 0.457490 0.620347 0.072 Uiso 1 1 calc R U . . .
C55 C 0.6001(6) 0.5624(6) 0.5774(3) 0.051(2) Uani 1 1 d . U . . .
H55 H 0.564609 0.536339 0.553968 0.061 Uiso 1 1 calc R U . . .
F4 F 1.0331(8) 0.3902(8) 0.6843(4) 0.039(4) Uani 0.345(11) 1 d . . P A 2
C4 C 0.5332(8) 0.1329(7) 0.4173(4) 0.019(2) Uani 0.615(14) 1 d . U P B 1
H4 H 0.520369 0.074183 0.405815 0.023 Uiso 0.615(14) 1 calc R U P B 1
C1 C 0.5653(7) 0.2982(7) 0.4552(3) 0.019(2) Uani 0.615(14) 1 d . U P B 1
H1 H 0.574589 0.355865 0.468440 0.023 Uiso 0.615(14) 1 calc R U P B 1
C2 C 0.5705(8) 0.2886(8) 0.4117(3) 0.023(3) Uani 0.615(14) 1 d . U P B 1
H2 H 0.585876 0.339853 0.395352 0.027 Uiso 0.615(14) 1 calc R U P B 1
C1A C 0.6092(12) 0.2522(12) 0.4547(5) 0.024(4) Uani 0.385(14) 1 d . U P B 2
H1A H 0.657074 0.284574 0.469377 0.029 Uiso 0.385(14) 1 calc R U P B 2
C2A C 0.6146(12) 0.2425(14) 0.4108(5) 0.026(5) Uani 0.385(14) 1 d . . P B 2
H2A H 0.663286 0.267106 0.397112 0.031 Uiso 0.385(14) 1 calc R U P B 2
C5A C 0.4903(15) 0.1618(13) 0.4529(6) 0.025(4) Uani 0.385(14) 1 d . . P B 2
H5A H 0.451099 0.125161 0.467930 0.030 Uiso 0.385(14) 1 calc R U P B 2
C4A C 0.4851(14) 0.1486(13) 0.4086(5) 0.025(5) Uani 0.385(14) 1 d . . P B 2
H4A H 0.442511 0.110788 0.393195 0.030 Uiso 0.385(14) 1 calc R U P B 2


_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
Ag4 Ag1 3.1225(8) 3_666 ?
Ag4 C27 2.090(6) . ?
Ag4 C28 2.075(7) . ?
Ag1 C22 2.073(6) . ?
Ag1 C21 2.078(6) . ?
Ag3 Ag2 3.1422(9) 3_656 ?
Ag3 C25 2.076(6) . ?
Ag3 C26 2.062(7) . ?
Ag2 C24 2.065(7) . ?
Ag2 C23 2.079(7) . ?
Fe1 N5 2.004(6) . ?
Fe1 N1 2.092(5) . ?
Fe1 N2 2.094(5) 4_566 ?
Fe1 N6 2.020(5) . ?
Fe1 N3 2.027(5) . ?
Fe1 N4 2.005(5) . ?
Fe2 N7 2.124(5) 1_655 ?
Fe2 N12 2.178(5) 4_575 ?
Fe2 N11 2.178(5) . ?
Fe2 N10 2.126(6) . ?
Fe2 N9 2.110(6) 1_565 ?
Fe2 N8 2.133(6) 1_665 ?
N7 C22 1.155(8) . ?
N12 C47 1.362(8) . ?
N12 C46 1.351(7) . ?
N5 C25 1.141(8) . ?
N11 C33 1.364(7) . ?
N11 C29 1.344(7) . ?
N1 C5 1.296(12) . ?
N1 C1 1.392(11) . ?
N1 C1A 1.346(17) . ?
N1 C5A 1.45(2) . ?
N2 C18 1.353(8) . ?
N2 C20 1.348(7) . ?
N6 C27 1.142(8) . ?
N3 C21 1.142(8) . ?
C43 C38 1.440(8) . ?
C43 C42 1.433(8) . ?
C43 C34 1.430(8) . ?
C33 H33 0.9500 . ?
C33 C32 1.388(8) . ?
N10 C28 1.146(8) . ?
N4 C23 1.135(8) . ?
N9 C26 1.151(8) . ?
C32 H32 0.9500 . ?
C32 C31 1.400(8) . ?
C47 H47 0.9500 . ?
C47 C48 1.383(8) . ?
C38 C37 1.437(8) . ?
C38 C39 1.420(8) . ?
N8 C24 1.141(8) . ?
C42 H42 0.9500 . ?
C42 C41 1.364(9) . ?
C12 H12 0.9500 . ?
C12 C11 1.374(8) . ?
C12 C13 1.416(9) . ?
C37 C44 1.489(8) . ?
C37 C36 1.397(8) . ?
C10 C11 1.422(8) . ?
C10 C9 1.442(8) . ?
C10 C15 1.438(8) . ?
C11 H11 0.9500 . ?
C44 C48 1.389(8) . ?
C44 C45 1.399(8) . ?
C13 H13 0.9500 . ?
C13 C14 1.356(9) . ?
C34 C35 1.385(8) . ?
C34 C31 1.499(8) . ?
C48 H48 0.9500 . ?
C36 H36 0.9500 . ?
C36 C35 1.417(8) . ?
C35 H35 0.9500 . ?
C30 H30 0.9500 . ?
C30 C31 1.399(8) . ?
C30 C29 1.399(8) . ?
C9 C16 1.487(8) . ?
C9 C8 1.374(9) . ?
C16 C17 1.395(8) . ?
C16 C19 1.411(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.386(9) . ?
C15 C6 1.430(8) . ?
C15 C14 1.430(8) . ?
C78 C73 1.436(9) . ?
C78 C77 1.407(9) . ?
C78 C69 1.409(9) . ?
C18 H18 0.9500 . ?
C41 H41 0.9500 . ?
C41 C40 1.412(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.385(9) . ?
C40 H40 0.9500 . ?
C40 C39 1.376(9) . ?
C6 C3 1.505(9) . ?
C6 C7 1.365(9) . ?
C29 H29 0.9500 . ?
C46 H46 0.9500 . ?
C46 C45 1.391(8) . ?
C39 H39 0.9500 . ?
C8 H8 0.9500 . ?
C8 C7 1.405(10) . ?
C45 H45 0.9500 . ?
C73 C72 1.417(9) . ?
C73 C74 1.427(9) . ?
C14 H14 0.9500 . ?
C72 H72 0.9500 . ?
C72 C71 1.386(9) . ?
C20 H20 0.9500 . ?
F2 C59 1.330(10) . ?
C3 C4 1.362(12) . ?
C3 C2 1.498(13) . ?
C3 C2A 1.270(17) . ?
C3 C4A 1.435(17) . ?
C77 H77 0.9500 . ?
C77 F3 1.397(9) . ?
C77 C76 1.384(10) . ?
C69 H69 0.9500 . ?
C69 C70 1.366(10) . ?
C69 F4 1.210(13) . ?
C7 H7 0.9500 . ?
C71 H71 0.9500 . ?
C71 C70 1.409(10) . ?
C63 C68 1.437(10) . ?
C63 C62 1.430(10) . ?
C63 C64 1.432(11) . ?
C75 H75 0.9500 . ?
C75 C74 1.363(9) . ?
C75 C76 1.414(10) . ?
C74 H74 0.9500 . ?
C68 C67 1.402(11) . ?
C68 C59 1.415(11) . ?
C62 H62 0.9500 . ?
C62 C61 1.370(12) . ?
C64 H64 0.9500 . ?
C64 C65 1.359(11) . ?
C53 C54 1.427(10) . ?
C53 C58 1.408(10) . ?
C53 C52 1.418(11) . ?
C76 H76 0.9500 . ?
C54 H54 0.9500 . ?
C54 C55 1.368(11) . ?
F1 C49 1.362(9) . ?
C61 H61 0.9500 . ?
C61 C60 1.402(13) . ?
C49 C58 1.423(12) . ?
C49 C50 1.351(13) . ?
C67 H67 0.9500 . ?
C67 C66 1.350(13) . ?
C58 C57 1.421(12) . ?
C5 H5 0.9500 . ?
C5 C4 1.397(15) . ?
C70 H70 0.9500 . ?
C59 C60 1.354(12) . ?
C50 H50 0.9500 . ?
C50 C51 1.405(12) . ?
C52 H52 0.9500 . ?
C52 C51 1.391(10) . ?
C66 H66 0.9500 . ?
C66 C65 1.415(13) . ?
C65 H65 0.9500 . ?
C60 H60 0.9500 . ?
C51 H51 0.9500 . ?
C57 H57 0.9500 . ?
C57 C56 1.356(14) . ?
C56 H56 0.9500 . ?
C56 C55 1.427(13) . ?
C55 H55 0.9500 . ?
C4 H4 0.9500 . ?
C1 H1 0.9500 . ?
C1 C2 1.372(14) . ?
C2 H2 0.9500 . ?
C1A H1A 0.9500 . ?
C1A C2A 1.39(2) . ?
C2A H2A 0.9500 . ?
C5A H5A 0.9500 . ?
C5A C4A 1.39(2) . ?
C4A H4A 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C27 Ag4 Ag1 77.56(17) . 3_666 ?
C28 Ag4 Ag1 103.83(17) . 3_666 ?
C28 Ag4 C27 178.6(2) . . ?
C22 Ag1 Ag4 75.30(16) . 3_666 ?
C22 Ag1 C21 178.5(2) . . ?
C21 Ag1 Ag4 106.18(17) . 3_666 ?
C25 Ag3 Ag2 80.68(17) . 3_656 ?
C26 Ag3 Ag2 103.39(17) . 3_656 ?
C26 Ag3 C25 175.3(2) . . ?
C24 Ag2 Ag3 87.50(17) . 3_656 ?
C24 Ag2 C23 172.7(2) . . ?
C23 Ag2 Ag3 99.67(17) . 3_656 ?
N5 Fe1 N1 86.7(2) . . ?
N5 Fe1 N2 91.1(2) . 4_566 ?
N5 Fe1 N6 90.5(2) . . ?
N5 Fe1 N3 179.7(2) . . ?
N5 Fe1 N4 90.2(2) . . ?
N1 Fe1 N2 177.67(19) . 4_566 ?
N6 Fe1 N1 91.07(19) . . ?
N6 Fe1 N2 88.17(19) . 4_566 ?
N6 Fe1 N3 89.5(2) . . ?
N3 Fe1 N1 93.01(19) . . ?
N3 Fe1 N2 89.18(19) . 4_566 ?
N4 Fe1 N1 90.3(2) . . ?
N4 Fe1 N2 90.46(19) . 4_566 ?
N4 Fe1 N6 178.5(2) . . ?
N4 Fe1 N3 89.9(2) . . ?
N7 Fe2 N12 91.48(19) 1_655 4_575 ?
N7 Fe2 N11 84.70(18) 1_655 . ?
N7 Fe2 N10 92.00(19) 1_655 . ?
N7 Fe2 N8 90.6(2) 1_655 1_665 ?
N12 Fe2 N11 173.75(18) 4_575 . ?
N10 Fe2 N12 95.44(18) . 4_575 ?
N10 Fe2 N11 89.64(18) . . ?
N10 Fe2 N8 177.2(2) . 1_665 ?
N9 Fe2 N7 178.0(2) 1_565 1_655 ?
N9 Fe2 N12 89.52(19) 1_565 4_575 ?
N9 Fe2 N11 94.16(19) 1_565 . ?
N9 Fe2 N10 89.7(2) 1_565 . ?
N9 Fe2 N8 87.7(2) 1_565 1_665 ?
N8 Fe2 N12 83.43(19) 1_665 4_575 ?
N8 Fe2 N11 91.66(19) 1_665 . ?
C22 N7 Fe2 179.2(5) . 1_455 ?
C47 N12 Fe2 125.9(4) . 4_576 ?
C46 N12 Fe2 117.7(4) . 4_576 ?
C46 N12 C47 116.3(5) . . ?
C25 N5 Fe1 172.1(5) . . ?
C33 N11 Fe2 119.1(4) . . ?
C29 N11 Fe2 123.3(4) . . ?
C29 N11 C33 117.6(5) . . ?
C5 N1 Fe1 122.0(6) . . ?
C5 N1 C1 120.7(8) . . ?
C1 N1 Fe1 117.3(5) . . ?
C1A N1 Fe1 126.9(8) . . ?
C1A N1 C5A 105.7(11) . . ?
C5A N1 Fe1 126.6(8) . . ?
C18 N2 Fe1 122.0(4) . 4_565 ?
C20 N2 Fe1 121.4(4) . 4_565 ?
C20 N2 C18 116.6(5) . . ?
C27 N6 Fe1 176.1(5) . . ?
C21 N3 Fe1 170.6(5) . . ?
C42 C43 C38 118.0(5) . . ?
C34 C43 C38 119.2(5) . . ?
C34 C43 C42 122.6(6) . . ?
N11 C33 H33 118.8 . . ?
N11 C33 C32 122.4(5) . . ?
C32 C33 H33 118.8 . . ?
C28 N10 Fe2 173.1(5) . . ?
C23 N4 Fe1 177.7(5) . . ?
C26 N9 Fe2 172.9(5) . 1_545 ?
C33 C32 H32 119.9 . . ?
C33 C32 C31 120.2(5) . . ?
C31 C32 H32 119.9 . . ?
N12 C47 H47 118.1 . . ?
N12 C47 C48 123.8(5) . . ?
C48 C47 H47 118.1 . . ?
C37 C38 C43 119.5(5) . . ?
C39 C38 C43 118.6(5) . . ?
C39 C38 C37 121.8(6) . . ?
C24 N8 Fe2 164.4(5) . 1_445 ?
N7 C22 Ag1 173.6(5) . . ?
C43 C42 H42 119.2 . . ?
C41 C42 C43 121.6(6) . . ?
C41 C42 H42 119.2 . . ?
C11 C12 H12 119.7 . . ?
C11 C12 C13 120.5(6) . . ?
C13 C12 H12 119.7 . . ?
C38 C37 C44 123.3(5) . . ?
C36 C37 C38 118.8(5) . . ?
C36 C37 C44 117.9(5) . . ?
C11 C10 C9 122.9(6) . . ?
C11 C10 C15 117.8(5) . . ?
C15 C10 C9 119.3(5) . . ?
C12 C11 C10 121.4(6) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C48 C44 C37 122.5(5) . . ?
C48 C44 C45 117.1(5) . . ?
C45 C44 C37 120.2(5) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 C12 119.8(6) . . ?
C14 C13 H13 120.1 . . ?
C43 C34 C31 122.0(5) . . ?
C35 C34 C43 120.0(5) . . ?
C35 C34 C31 117.9(5) . . ?
C47 C48 C44 119.6(6) . . ?
C47 C48 H48 120.2 . . ?
C44 C48 H48 120.2 . . ?
C37 C36 H36 119.4 . . ?
C37 C36 C35 121.3(5) . . ?
C35 C36 H36 119.4 . . ?
C34 C35 C36 120.5(5) . . ?
C34 C35 H35 119.7 . . ?
C36 C35 H35 119.7 . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C29 C30 C31 119.8(5) . . ?
C32 C31 C34 121.8(5) . . ?
C30 C31 C32 117.0(5) . . ?
C30 C31 C34 121.0(5) . . ?
C10 C9 C16 122.5(5) . . ?
C8 C9 C10 118.5(6) . . ?
C8 C9 C16 119.0(5) . . ?
C17 C16 C9 123.1(5) . . ?
C17 C16 C19 115.7(5) . . ?
C19 C16 C9 121.1(5) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 C16 120.7(5) . . ?
C18 C17 H17 119.6 . . ?
C6 C15 C10 119.3(5) . . ?
C14 C15 C10 118.7(5) . . ?
C14 C15 C6 122.0(6) . . ?
C77 C78 C73 117.6(6) . . ?
C77 C78 C69 124.5(6) . . ?
C69 C78 C73 117.9(6) . . ?
N2 C18 C17 123.2(5) . . ?
N2 C18 H18 118.4 . . ?
C17 C18 H18 118.4 . . ?
C42 C41 H41 119.9 . . ?
C42 C41 C40 120.1(6) . . ?
C40 C41 H41 119.9 . . ?
N5 C25 Ag3 173.6(6) . . ?
C16 C19 H19 119.8 . . ?
C20 C19 C16 120.4(5) . . ?
C20 C19 H19 119.8 . . ?
C41 C40 H40 119.8 . . ?
C39 C40 C41 120.5(6) . . ?
C39 C40 H40 119.8 . . ?
N3 C21 Ag1 176.1(6) . . ?
C15 C6 C3 121.2(5) . . ?
C7 C6 C15 119.3(6) . . ?
C7 C6 C3 119.3(6) . . ?
N11 C29 C30 122.8(5) . . ?
N11 C29 H29 118.6 . . ?
C30 C29 H29 118.6 . . ?
N6 C27 Ag4 176.2(6) . . ?
N10 C28 Ag4 177.9(6) . . ?
N12 C46 H46 118.6 . . ?
N12 C46 C45 122.8(5) . . ?
C45 C46 H46 118.6 . . ?
N8 C24 Ag2 173.9(6) . . ?
C38 C39 H39 119.4 . . ?
C40 C39 C38 121.1(6) . . ?
C40 C39 H39 119.4 . . ?
C9 C8 H8 119.1 . . ?
C9 C8 C7 121.7(6) . . ?
C7 C8 H8 119.1 . . ?
C44 C45 H45 119.9 . . ?
C46 C45 C44 120.2(5) . . ?
C46 C45 H45 119.9 . . ?
C72 C73 C78 118.8(6) . . ?
C72 C73 C74 122.3(6) . . ?
C74 C73 C78 118.8(6) . . ?
C13 C14 C15 121.6(6) . . ?
C13 C14 H14 119.2 . . ?
C15 C14 H14 119.2 . . ?
N9 C26 Ag3 176.3(6) . . ?
C73 C72 H72 119.5 . . ?
C71 C72 C73 120.9(6) . . ?
C71 C72 H72 119.5 . . ?
N2 C20 C19 123.4(5) . . ?
N2 C20 H20 118.3 . . ?
C19 C20 H20 118.3 . . ?
N4 C23 Ag2 176.9(6) . . ?
C4 C3 C6 126.9(7) . . ?
C4 C3 C2 111.8(7) . . ?
C2 C3 C6 121.1(7) . . ?
C2A C3 C6 120.9(9) . . ?
C2A C3 C4A 123.6(11) . . ?
C4A C3 C6 115.2(9) . . ?
C78 C77 H77 118.4 . . ?
F3 C77 C78 116.6(6) . . ?
C76 C77 C78 123.2(6) . . ?
C76 C77 H77 118.4 . . ?
C76 C77 F3 120.2(6) . . ?
C78 C69 H69 118.7 . . ?
C70 C69 C78 122.7(7) . . ?
C70 C69 H69 118.7 . . ?
F4 C69 C78 115.6(9) . . ?
F4 C69 C70 121.7(9) . . ?
C6 C7 C8 121.6(6) . . ?
C6 C7 H7 119.2 . . ?
C8 C7 H7 119.2 . . ?
C72 C71 H71 120.0 . . ?
C72 C71 C70 120.1(6) . . ?
C70 C71 H71 120.0 . . ?
C62 C63 C68 119.5(7) . . ?
C62 C63 C64 121.6(7) . . ?
C64 C63 C68 118.9(6) . . ?
C74 C75 H75 119.3 . . ?
C74 C75 C76 121.4(7) . . ?
C76 C75 H75 119.3 . . ?
C73 C74 H74 119.5 . . ?
C75 C74 C73 120.9(6) . . ?
C75 C74 H74 119.5 . . ?
C67 C68 C63 118.5(7) . . ?
C67 C68 C59 124.9(8) . . ?
C59 C68 C63 116.6(7) . . ?
C63 C62 H62 120.2 . . ?
C61 C62 C63 119.7(9) . . ?
C61 C62 H62 120.2 . . ?
C63 C64 H64 119.8 . . ?
C65 C64 C63 120.4(7) . . ?
C65 C64 H64 119.8 . . ?
C58 C53 C54 120.3(7) . . ?
C58 C53 C52 118.8(7) . . ?
C52 C53 C54 120.9(7) . . ?
C77 C76 C75 118.1(6) . . ?
C77 C76 H76 121.0 . . ?
C75 C76 H76 121.0 . . ?
C53 C54 H54 120.6 . . ?
C55 C54 C53 118.8(8) . . ?
C55 C54 H54 120.6 . . ?
C62 C61 H61 119.1 . . ?
C62 C61 C60 121.7(8) . . ?
C60 C61 H61 119.1 . . ?
F1 C49 C58 116.3(9) . . ?
C50 C49 F1 120.0(8) . . ?
C50 C49 C58 123.7(7) . . ?
C68 C67 H67 119.6 . . ?
C66 C67 C68 120.8(8) . . ?
C66 C67 H67 119.6 . . ?
C53 C58 C49 117.8(8) . . ?
C53 C58 C57 118.6(8) . . ?
C57 C58 C49 123.5(8) . . ?
N1 C5 H5 119.4 . . ?
N1 C5 C4 121.2(10) . . ?
C4 C5 H5 119.4 . . ?
C69 C70 C71 119.6(7) . . ?
C69 C70 H70 120.2 . . ?
C71 C70 H70 120.2 . . ?
F2 C59 C68 117.1(8) . . ?
F2 C59 C60 119.0(8) . . ?
C60 C59 C68 123.8(8) . . ?
C49 C50 H50 120.9 . . ?
C49 C50 C51 118.3(8) . . ?
C51 C50 H50 120.9 . . ?
C53 C52 H52 119.6 . . ?
C51 C52 C53 120.7(7) . . ?
C51 C52 H52 119.6 . . ?
C67 C66 H66 119.0 . . ?
C67 C66 C65 121.9(8) . . ?
C65 C66 H66 119.0 . . ?
C64 C65 C66 119.5(8) . . ?
C64 C65 H65 120.2 . . ?
C66 C65 H65 120.2 . . ?
C61 C60 H60 120.6 . . ?
C59 C60 C61 118.8(8) . . ?
C59 C60 H60 120.6 . . ?
C50 C51 H51 119.6 . . ?
C52 C51 C50 120.7(8) . . ?
C52 C51 H51 119.6 . . ?
C58 C57 H57 119.4 . . ?
C56 C57 C58 121.2(8) . . ?
C56 C57 H57 119.4 . . ?
C57 C56 H56 120.2 . . ?
C57 C56 C55 119.5(8) . . ?
C55 C56 H56 120.2 . . ?
C54 C55 C56 121.5(9) . . ?
C54 C55 H55 119.3 . . ?
C56 C55 H55 119.3 . . ?
C3 C4 C5 124.9(10) . . ?
C3 C4 H4 117.5 . . ?
C5 C4 H4 117.5 . . ?
N1 C1 H1 120.3 . . ?
C2 C1 N1 119.5(9) . . ?
C2 C1 H1 120.3 . . ?
C3 C2 H2 119.1 . . ?
C1 C2 C3 121.9(9) . . ?
C1 C2 H2 119.1 . . ?
N1 C1A H1A 115.1 . . ?
N1 C1A C2A 129.8(14) . . ?
C2A C1A H1A 115.1 . . ?
C3 C2A C1A 118.2(14) . . ?
C3 C2A H2A 120.9 . . ?
C1A C2A H2A 120.9 . . ?
N1 C5A H5A 115.0 . . ?
C4A C5A N1 129.9(15) . . ?
C4A C5A H5A 115.0 . . ?
C3 C4A H4A 124.5 . . ?
C5A C4A C3 111.1(14) . . ?
C5A C4A H4A 124.5 . . ?

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 N1 C5 C4 -179.7(8) . . . . ?
Fe1 N1 C1 C2 177.9(8) . . . . ?
Fe1 N1 C1A C2A -179.7(15) . . . . ?
Fe1 N1 C5A C4A 176.7(17) . . . . ?
Fe1 N2 C18 C17 -175.9(4) 4_565 . . . ?
Fe1 N2 C20 C19 176.0(5) 4_565 . . . ?
Fe2 N12 C47 C48 -176.7(5) 4_576 . . . ?
Fe2 N12 C46 C45 179.9(5) 4_576 . . . ?
Fe2 N11 C33 C32 -179.8(4) . . . . ?
Fe2 N11 C29 C30 179.4(4) . . . . ?
N12 C47 C48 C44 -3.1(10) . . . . ?
N12 C46 C45 C44 -2.8(9) . . . . ?
N11 C33 C32 C31 -0.6(9) . . . . ?
N1 C5 C4 C3 1.1(17) . . . . ?
N1 C1 C2 C3 2.6(15) . . . . ?
N1 C1A C2A C3 0(3) . . . . ?
N1 C5A C4A C3 6(3) . . . . ?
C43 C38 C37 C44 171.9(5) . . . . ?
C43 C38 C37 C36 -7.6(8) . . . . ?
C43 C38 C39 C40 1.1(8) . . . . ?
C43 C42 C41 C40 0.4(9) . . . . ?
C43 C34 C35 C36 -6.5(8) . . . . ?
C43 C34 C31 C32 -131.1(6) . . . . ?
C43 C34 C31 C30 53.7(8) . . . . ?
C33 N11 C29 C30 -1.1(8) . . . . ?
C33 C32 C31 C34 -174.4(5) . . . . ?
C33 C32 C31 C30 1.0(8) . . . . ?
C47 N12 C46 C45 2.9(9) . . . . ?
C38 C43 C42 C41 -0.2(8) . . . . ?
C38 C43 C34 C35 5.4(8) . . . . ?
C38 C43 C34 C31 -171.9(5) . . . . ?
C38 C37 C44 C48 -48.5(8) . . . . ?
C38 C37 C44 C45 136.4(6) . . . . ?
C38 C37 C36 C35 6.7(8) . . . . ?
C42 C43 C38 C37 177.2(5) . . . . ?
C42 C43 C38 C39 -0.6(8) . . . . ?
C42 C43 C34 C35 -169.9(5) . . . . ?
C42 C43 C34 C31 12.8(8) . . . . ?
C42 C41 C40 C39 0.1(9) . . . . ?
C12 C13 C14 C15 -0.3(9) . . . . ?
C37 C38 C39 C40 -176.6(5) . . . . ?
C37 C44 C48 C47 -172.0(6) . . . . ?
C37 C44 C45 C46 174.9(5) . . . . ?
C37 C36 C35 C34 0.4(8) . . . . ?
C10 C9 C16 C17 -45.7(9) . . . . ?
C10 C9 C16 C19 137.8(6) . . . . ?
C10 C9 C8 C7 5.7(11) . . . . ?
C10 C15 C6 C3 -174.3(6) . . . . ?
C10 C15 C6 C7 1.5(10) . . . . ?
C10 C15 C14 C13 -1.6(9) . . . . ?
C11 C12 C13 C14 1.6(9) . . . . ?
C11 C10 C9 C16 -8.0(9) . . . . ?
C11 C10 C9 C8 172.5(6) . . . . ?
C11 C10 C15 C6 -176.1(6) . . . . ?
C11 C10 C15 C14 2.2(8) . . . . ?
C44 C37 C36 C35 -172.9(5) . . . . ?
C13 C12 C11 C10 -0.9(9) . . . . ?
C34 C43 C38 C37 1.7(8) . . . . ?
C34 C43 C38 C39 -176.0(5) . . . . ?
C34 C43 C42 C41 175.1(5) . . . . ?
C48 C44 C45 C46 -0.4(9) . . . . ?
C36 C37 C44 C48 131.0(6) . . . . ?
C36 C37 C44 C45 -44.1(7) . . . . ?
C35 C34 C31 C32 51.6(8) . . . . ?
C35 C34 C31 C30 -123.7(6) . . . . ?
C31 C34 C35 C36 170.9(5) . . . . ?
C31 C30 C29 N11 1.6(9) . . . . ?
C9 C10 C11 C12 -179.4(6) . . . . ?
C9 C10 C15 C6 2.4(8) . . . . ?
C9 C10 C15 C14 -179.3(5) . . . . ?
C9 C16 C17 C18 -176.7(6) . . . . ?
C9 C16 C19 C20 177.0(6) . . . . ?
C9 C8 C7 C6 -1.8(13) . . . . ?
C16 C9 C8 C7 -173.9(7) . . . . ?
C16 C17 C18 N2 -1.6(9) . . . . ?
C16 C19 C20 N2 1.3(10) . . . . ?
C17 C16 C19 C20 0.2(9) . . . . ?
C15 C10 C11 C12 -1.0(9) . . . . ?
C15 C10 C9 C16 173.6(5) . . . . ?
C15 C10 C9 C8 -5.9(9) . . . . ?
C15 C6 C3 C4 -78.2(10) . . . . ?
C15 C6 C3 C2 106.5(9) . . . . ?
C15 C6 C3 C2A 60.4(14) . . . . ?
C15 C6 C3 C4A -113.9(12) . . . . ?
C15 C6 C7 C8 -1.9(12) . . . . ?
C78 C73 C72 C71 0.2(9) . . . . ?
C78 C73 C74 C75 0.2(9) . . . . ?
C78 C77 C76 C75 0.9(10) . . . . ?
C78 C69 C70 C71 -0.4(10) . . . . ?
C18 N2 C20 C19 -2.8(9) . . . . ?
C41 C40 C39 C38 -0.9(9) . . . . ?
C19 C16 C17 C18 -0.1(9) . . . . ?
C6 C15 C14 C13 176.6(6) . . . . ?
C6 C3 C4 C5 -176.3(9) . . . . ?
C6 C3 C2 C1 174.8(8) . . . . ?
C6 C3 C2A C1A 175.7(13) . . . . ?
C6 C3 C4A C5A -178.3(13) . . . . ?
C29 N11 C33 C32 0.6(8) . . . . ?
C29 C30 C31 C32 -1.4(8) . . . . ?
C29 C30 C31 C34 174.0(5) . . . . ?
C46 N12 C47 C48 0.0(9) . . . . ?
C39 C38 C37 C44 -10.4(8) . . . . ?
C39 C38 C37 C36 170.1(5) . . . . ?
C8 C9 C16 C17 133.8(7) . . . . ?
C8 C9 C16 C19 -42.7(9) . . . . ?
C45 C44 C48 C47 3.2(9) . . . . ?
C73 C78 C77 F3 -178.8(6) . . . . ?
C73 C78 C77 C76 -0.8(10) . . . . ?
C73 C78 C69 C70 1.5(10) . . . . ?
C73 C78 C69 F4 -177.6(8) . . . . ?
C73 C72 C71 C70 1.0(10) . . . . ?
C14 C15 C6 C3 7.5(9) . . . . ?
C14 C15 C6 C7 -176.8(7) . . . . ?
C72 C73 C74 C75 -176.3(6) . . . . ?
C72 C71 C70 C69 -0.9(10) . . . . ?
C20 N2 C18 C17 3.0(9) . . . . ?
F2 C59 C60 C61 176.4(8) . . . . ?
C3 C6 C7 C8 174.0(7) . . . . ?
C77 C78 C73 C72 176.9(6) . . . . ?
C77 C78 C73 C74 0.2(9) . . . . ?
C77 C78 C69 C70 -176.6(7) . . . . ?
C77 C78 C69 F4 4.3(12) . . . . ?
C69 C78 C73 C72 -1.4(9) . . . . ?
C69 C78 C73 C74 -178.1(6) . . . . ?
C69 C78 C77 F3 -0.7(10) . . . . ?
C69 C78 C77 C76 177.3(6) . . . . ?
F3 C77 C76 C75 178.9(6) . . . . ?
C7 C6 C3 C4 106.1(10) . . . . ?
C7 C6 C3 C2 -69.3(10) . . . . ?
C7 C6 C3 C2A -115.3(14) . . . . ?
C7 C6 C3 C4A 70.3(13) . . . . ?
C63 C68 C67 C66 -0.7(14) . . . . ?
C63 C68 C59 F2 -176.1(7) . . . . ?
C63 C68 C59 C60 0.9(12) . . . . ?
C63 C62 C61 C60 -0.6(12) . . . . ?
C63 C64 C65 C66 0.7(13) . . . . ?
C74 C73 C72 C71 176.7(6) . . . . ?
C74 C75 C76 C77 -0.4(10) . . . . ?
C68 C63 C62 C61 0.9(11) . . . . ?
C68 C63 C64 C65 -1.3(11) . . . . ?
C68 C67 C66 C65 0.2(17) . . . . ?
C68 C59 C60 C61 -0.6(13) . . . . ?
C62 C63 C68 C67 179.9(8) . . . . ?
C62 C63 C68 C59 -1.0(10) . . . . ?
C62 C63 C64 C65 -180.0(8) . . . . ?
C62 C61 C60 C59 0.4(13) . . . . ?
C64 C63 C68 C67 1.2(11) . . . . ?
C64 C63 C68 C59 -179.8(7) . . . . ?
C64 C63 C62 C61 179.6(7) . . . . ?
C53 C54 C55 C56 -3.0(12) . . . . ?
C53 C58 C57 C56 -0.6(12) . . . . ?
C53 C52 C51 C50 0.7(11) . . . . ?
C76 C75 C74 C73 -0.1(10) . . . . ?
C54 C53 C58 C49 -177.2(6) . . . . ?
C54 C53 C58 C57 -0.4(10) . . . . ?
C54 C53 C52 C51 176.6(7) . . . . ?
F1 C49 C58 C53 -179.1(6) . . . . ?
F1 C49 C58 C57 4.3(11) . . . . ?
F1 C49 C50 C51 178.0(7) . . . . ?
C49 C58 C57 C56 176.0(8) . . . . ?
C49 C50 C51 C52 0.9(11) . . . . ?
C67 C68 C59 F2 2.8(12) . . . . ?
C67 C68 C59 C60 179.8(8) . . . . ?
C67 C66 C65 C64 -0.2(16) . . . . ?
C58 C53 C54 C55 2.2(10) . . . . ?
C58 C53 C52 C51 -1.8(10) . . . . ?
C58 C49 C50 C51 -1.5(11) . . . . ?
C58 C57 C56 C55 -0.2(14) . . . . ?
C5 N1 C1 C2 -2.1(14) . . . . ?
C59 C68 C67 C66 -179.6(9) . . . . ?
C50 C49 C58 C53 0.5(11) . . . . ?
C50 C49 C58 C57 -176.1(7) . . . . ?
C52 C53 C54 C55 -176.1(7) . . . . ?
C52 C53 C58 C49 1.2(10) . . . . ?
C52 C53 C58 C57 177.9(7) . . . . ?
C57 C56 C55 C54 2.0(14) . . . . ?
F4 C69 C70 C71 178.7(9) . . . . ?
C4 C3 C2 C1 -1.2(13) . . . . ?
C1 N1 C5 C4 0.4(15) . . . . ?
C2 C3 C4 C5 -0.6(14) . . . . ?
C1A N1 C5A C4A -13(3) . . . . ?
C2A C3 C4A C5A 8(2) . . . . ?
C5A N1 C1A C2A 11(2) . . . . ?
C4A C3 C2A C1A -10(3) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2130112'
loop_
_audit_author_name
_audit_author_address
'kaiping xie'
;Sun Yat Sen University School of Chemistry
China
;
_audit_update_record             
;
2021-12-21 deposited with the CCDC.	2022-02-28 downloaded from the CCDC.
;
_audit_creation_date             2021-12-01
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H14 Ag2 Fe N6, 1.5(C10 H7 F)'
_chemical_formula_sum            'C39 H24.50 Ag2 F1.50 Fe N6'
_chemical_formula_weight         877.23
_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'
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'
Fe Fe 0.3463 0.8444 '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'

_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                   33.910(6)
_cell_length_b                   14.854(2)
_cell_length_c                   15.260(3)
_cell_angle_alpha                90
_cell_angle_beta                 112.146(7)
_cell_angle_gamma                90
_cell_volume                     7119(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9366
_cell_measurement_temperature    299.99
_cell_measurement_theta_max      25.38
_cell_measurement_theta_min      2.38
_shelx_estimated_absorpt_T_max   0.814
_shelx_estimated_absorpt_T_min   0.749
_exptl_absorpt_coefficient_mu    1.536
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6846
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3472
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0233
_diffrn_reflns_av_unetI/netI     0.0210
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25443
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.380
_diffrn_reflns_theta_min         2.254
_diffrn_ambient_temperature      299.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5324
_reflns_number_total             6519
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.590
_refine_diff_density_min         -1.328
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     667
_refine_ls_number_reflns         6519
_refine_ls_number_restraints     1109
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0513
_refine_ls_restrained_S_all      1.145
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0737P)²+45.9452P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1430
_refine_ls_wR_factor_ref         0.1547
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Shared sites
{C10, C57}
{C13, C58}
3. Restrained distances
 F3-C25 \\sim C45-F2 \\sim F1-C35
 with sigma of 0.02
 C14A-C58 \\sim C12A-C11A \\sim C57-C19A \\sim C11A-C57 \\sim C19A-C14A \\sim
C58-C12A \\sim C16A-C17A
 \\sim C58-C14A \\sim C24-C20 \\sim C7-C8
 with sigma of 0.02
 C30-C32 \\sim C29-C31 \\sim C31-C33 \\sim C28-C30 \\sim C32-C34 \\sim C27-C29
\\sim C26-C28 \\sim C25-C33
 \\sim C25-C27 \\sim C26-C34
 with sigma of 0.04
 C25-C29 \\sim C28-C34 \\sim C30-C34 \\sim C29-C33
 with sigma of 0.04
 C25-C26 \\sim C26-C27 \\sim C27-C28 \\sim C28-C29 \\sim C25-C34 \\sim C29-C30
\\sim C30-C31 \\sim C31-C32
 \\sim C33-C34 \\sim C32-C33 \\sim C29-C34
 with sigma of 0.02
 C35-C36 \\sim C36-C37 \\sim C37-C38 \\sim C38-C39 \\sim C35-C44 \\sim C39-C40
\\sim C40-C41 \\sim C41-C42
 \\sim C43-C44 \\sim C42-C43 \\sim C39-C44
 with sigma of 0.02
 C40-C42 \\sim C39-C41 \\sim C41-C43 \\sim C38-C40 \\sim C42-C44 \\sim C37-C39
\\sim C36-C38 \\sim C35-C43
 \\sim C35-C37 \\sim C36-C44
 with sigma of 0.04
 C35-C39 \\sim C38-C44 \\sim C40-C44 \\sim C39-C43
 with sigma of 0.04
 C54-F2 \\sim F2-C46
 with sigma of 0.02
4. Restrained planarity
 C35, C36, C44, F1, C37, C39, C43, C38, C40, C42, C41
 with sigma of 0.1
 C12, C11, C58, C19, C57, C14, C15, C18, C17, C16
 with sigma of 0.01
 C25, C26, C27, C28, C29, C30, C31, C32, C33, C34
 with sigma of 0.1
 C35, C36, C37, C38, C39, C40, C41, C42, C43, C44
 with sigma of 0.1
5. Uiso/Uaniso restraints and constraints
C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49 \\sim C54 \\sim C53 \\sim C52 \\sim
C51 \\sim C50 \\sim F2: within 5A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 5A
C9 \\sim C9A \\sim C8A \\sim C8 \\sim C7 \\sim C6A \\sim C5A \\sim C6 \\sim C5:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C58 \\sim C14 \\sim C19 \\sim C57 \\sim C15 \\sim C18 \\sim C16 \\sim C17 \\sim
C12 \\sim C11: within 5A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 5A
C25 \\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim
C33 \\sim C34: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41 \\sim C42 \\sim
C43 \\sim C44: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Uanis(C47) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C58) \\sim Ueq, Uanis(C57) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C13) = Uanis(C58)
Uanis(C10) = Uanis(C57)
6. Others
 Fixed Sof: C5A(0.5) H5A(0.5) C6A(0.5) H6A(0.5) C8A(0.5) H8A(0.5) C9A(0.5)
 H9A(0.5) C8(0.5) H8(0.5) C9(0.5) H9(0.5) C5(0.5) H5(0.5) C6(0.5) H6(0.5)
 C13(0.5) C12A(0.5) H12A(0.5) C11A(0.5) H11A(0.5) C10(0.5) C19A(0.5) C18A(0.5)
 H18A(0.5) C17A(0.5) H17A(0.5) C16A(0.5) H16A(0.5) C15A(0.5) H15A(0.5)
 C14A(0.5) C58(0.5) C12(0.5) H12(0.5) C11(0.5) H11(0.5) C57(0.5) C19(0.5)
 C18(0.5) H18(0.5) C17(0.5) H17(0.5) C16(0.5) H16(0.5) C15(0.5) H15(0.5)
 C14(0.5) C25(0.5) C26(0.5) H26(0.5) C27(0.5) H27(0.5) C28(0.5) H28(0.5)
 C29(0.5) C30(0.5) H30(0.5) C31(0.5) H31(0.5) C32(0.5) H32(0.5) C33(0.5)
 H33(0.5) C34(0.5) C35(0.5) C36(0.5) H36(0.5) C37(0.5) H37(0.5) C38(0.5)
 H38(0.5) C39(0.5) C40(0.5) H40(0.5) C41(0.5) H41(0.5) C42(0.5) H42(0.5)
 C43(0.5) H43(0.5) C44(0.5) F3(0.5) F1(0.5) C45(0.5) C46(0.5) H46(0.5) C47(0.5)
 H47(0.5) C48(0.5) H48(0.5) C49(0.5) C54(0.5) C53(0.5) H53(0.5) C52(0.5)
 H52(0.5) C51(0.5) H51(0.5) C50(0.5) H50(0.5) F2(0.5)
7.a Aromatic/amide H refined with riding coordinates:
 C5A(H5A), C6A(H6A), C8A(H8A), C9A(H9A), C22(H22), C23(H23), C21(H21),
 C24(H24), C8(H8), C9(H9), C5(H5), C6(H6), C12A(H12A), C11A(H11A), C18A(H18A),
 C17A(H17A), C16A(H16A), C15A(H15A), C12(H12), C11(H11), C18(H18), C17(H17),
 C16(H16), C15(H15), C26(H26), C27(H27), C28(H28), C30(H30), C31(H31), C32(H32),
  C33(H33), C36(H36), C37(H37), C38(H38), C40(H40), C41(H41), C42(H42),
 C43(H43), C46(H46), C47(H47), C48(H48), C53(H53), C52(H52), C51(H51), C50(H50)
7.b Fitted hexagon refined as free rotating group:
 N3(C5A,C6A,C7,C8A,C9A)
7.c Naphthalene refined as free rotating group:
 C45(C46,C47,C48,C49,C54,C53,C52,C51,C50)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag2 Ag 1.54619(2) 0.50502(3) 1.74708(3) 0.05030(16) Uani 1 1 d . . . . .
Ag1 Ag 1.54913(2) 0.00873(3) 1.76461(3) 0.05970(18) Uani 1 1 d . . . . .
Fe1 Fe 1.55047(2) 0.24846(4) 1.50642(4) 0.03070(18) Uani 1 1 d . . . . .
N3 N 1.48005(10) 0.2209(3) 1.4301(2) 0.0400(9) Uani 1 1 d G . . . .
C5A C 1.45866(14) 0.2680(4) 1.3469(4) 0.068(4) Uani 0.5 1 d G U P A 2
H5A H 1.473209 0.309695 1.324881 0.082 Uiso 0.5 1 calc R U P A 2
C6A C 1.41553(15) 0.2529(5) 1.2967(4) 0.068(3) Uani 0.5 1 d G U P A 2
H6A H 1.401219 0.284378 1.241102 0.082 Uiso 0.5 1 calc R U P A 2
C7 C 1.39378(10) 0.1906(3) 1.3297(3) 0.0509(12) Uani 1 1 d DG U . A .
C8A C 1.41517(14) 0.1435(5) 1.4129(4) 0.057(3) Uani 0.5 1 d G U P A 2
H8A H 1.400623 0.101804 1.434915 0.069 Uiso 0.5 1 calc R U P A 2
C9A C 1.45830(14) 0.1586(5) 1.4631(4) 0.061(3) Uani 0.5 1 d G U P A 2
H9A H 1.472613 0.127119 1.518696 0.073 Uiso 0.5 1 calc R U P A 2
N6 N 1.55013(13) 0.6566(3) 1.8992(3) 0.0439(10) Uani 1 1 d . . . . .
N4 N 1.12094(14) 0.2285(3) 1.0709(3) 0.0458(10) Uani 1 1 d . . . . .
N2 N 1.54190(15) 0.3550(3) 1.5930(3) 0.0474(10) Uani 1 1 d . . . . .
N5 N 1.55828(14) -0.1386(3) 1.9217(3) 0.0501(11) Uani 1 1 d . . . . .
N1 N 1.55236(15) 0.1539(3) 1.6138(3) 0.0504(11) Uani 1 1 d . . . . .
C4 C 1.55064(16) 0.6041(4) 1.8457(4) 0.0449(11) Uani 1 1 d . . . . .
C2 C 1.55457(17) -0.0836(4) 1.8689(4) 0.0506(13) Uani 1 1 d . . . . .
C3 C 1.54285(17) 0.4090(4) 1.6475(4) 0.0493(12) Uani 1 1 d . . . . .
C22 C 1.14498(17) 0.2403(4) 1.0203(4) 0.0549(15) Uani 1 1 d . . . . .
H22 H 1.131641 0.259515 0.958006 0.066 Uiso 1 1 calc R U . . .
C23 C 1.14140(19) 0.2004(4) 1.1598(4) 0.0564(14) Uani 1 1 d . . . . .
H23 H 1.125469 0.191806 1.197170 0.068 Uiso 1 1 calc R U . . .
C20 C 1.20958(17) 0.1955(4) 1.1464(4) 0.0550(14) Uani 1 1 d D . . . .
C21 C 1.18842(17) 0.2258(4) 1.0537(4) 0.0589(15) Uani 1 1 d . . . . .
H21 H 1.203474 0.236215 1.014816 0.071 Uiso 1 1 calc R U . . .
C1 C 1.55044(18) 0.1020(4) 1.6669(4) 0.0544(14) Uani 1 1 d . . . . .
C24 C 1.1837(2) 0.1837(4) 1.1992(4) 0.0643(17) Uani 1 1 d D . . . .
H24 H 1.195835 0.164201 1.261667 0.077 Uiso 1 1 calc R U . . .
C8 C 1.4142(4) 0.1750(8) 1.4252(7) 0.045(2) Uani 0.5 1 d D U P A 1
H8 H 1.398750 0.152061 1.459298 0.054 Uiso 0.5 1 calc R U P A 1
C9 C 1.4568(4) 0.1925(8) 1.4711(8) 0.043(2) Uani 0.5 1 d . U P A 1
H9 H 1.469007 0.182794 1.536036 0.052 Uiso 0.5 1 calc R U P A 1
C5 C 1.4643(4) 0.2356(7) 1.3396(8) 0.043(2) Uani 0.5 1 d . U P A 1
H5 H 1.482167 0.256987 1.310705 0.052 Uiso 0.5 1 calc R U P A 1
C6 C 1.4226(4) 0.2209(7) 1.2854(8) 0.047(2) Uani 0.5 1 d . U P A 1
H6 H 1.412624 0.230105 1.220325 0.056 Uiso 0.5 1 calc R U P A 1
C13 C 1.25696(18) 0.1836(4) 1.1848(4) 0.0636(14) Uani 0.5 1 d . . P A 1
C12A C 1.2724(3) 0.2174(9) 1.2854(7) 0.056(3) Uani 0.5 1 d D . P A 2
H12A H 1.254751 0.237034 1.315750 0.067 Uiso 0.5 1 calc R U P A 2
C11A C 1.3183(3) 0.2150(10) 1.3278(8) 0.066(3) Uani 0.5 1 d D . P A 2
H11A H 1.331488 0.234688 1.389974 0.079 Uiso 0.5 1 calc R U P A 2
C10 C 1.34676(17) 0.1814(4) 1.2752(4) 0.0600(13) Uani 0.5 1 d . . P A 1
C19A C 1.3211(2) 0.1415(6) 1.1955(6) 0.0361(19) Uani 0.5 1 d D . P A 2
C18A C 1.3448(3) 0.0988(7) 1.1501(7) 0.046(2) Uani 0.5 1 d . . P A 2
H18A H 1.374341 0.097730 1.178602 0.055 Uiso 0.5 1 calc R U P A 2
C17A C 1.3251(3) 0.0591(8) 1.0648(8) 0.051(3) Uani 0.5 1 d D . P A 2
H17A H 1.341453 0.033557 1.034200 0.062 Uiso 0.5 1 calc R U P A 2
C16A C 1.2805(3) 0.0555(8) 1.0216(8) 0.051(2) Uani 0.5 1 d D . P A 2
H16A H 1.267346 0.024786 0.964926 0.062 Uiso 0.5 1 calc R U P A 2
C15A C 1.2568(3) 0.0978(6) 1.0639(7) 0.041(2) Uani 0.5 1 d . . P A 2
H15A H 1.227240 0.097991 1.035671 0.049 Uiso 0.5 1 calc R U P A 2
C14A C 1.2772(2) 0.1402(6) 1.1492(6) 0.038(2) Uani 0.5 1 d D . P A 2
C58 C 1.25696(18) 0.1836(4) 1.1848(4) 0.0636(14) Uani 0.5 1 d D U P A 2
C12 C 1.2850(3) 0.2533(7) 1.1898(5) 0.060(2) Uani 0.5 1 d . U P A 1
H12 H 1.272170 0.306729 1.161531 0.072 Uiso 0.5 1 calc R U P A 1
C11 C 1.3282(3) 0.2559(7) 1.2293(6) 0.059(2) Uani 0.5 1 d . U P A 1
H11 H 1.343657 0.306065 1.224640 0.071 Uiso 0.5 1 calc R U P A 1
C57 C 1.34676(17) 0.1814(4) 1.2752(4) 0.0600(13) Uani 0.5 1 d D U P A 2
C19 C 1.3276(3) 0.1024(6) 1.2748(5) 0.0430(16) Uani 0.5 1 d . U P A 1
C18 C 1.3484(3) 0.0222(7) 1.3190(6) 0.0503(18) Uani 0.5 1 d . U P A 1
H18 H 1.378004 0.021354 1.346576 0.060 Uiso 0.5 1 calc R U P A 1
C17 C 1.3268(3) -0.0521(8) 1.3222(7) 0.0558(19) Uani 0.5 1 d . U P A 1
H17 H 1.341416 -0.103034 1.353294 0.067 Uiso 0.5 1 calc R U P A 1
C16 C 1.2822(3) -0.0540(7) 1.2792(7) 0.0532(19) Uani 0.5 1 d . U P A 1
H16 H 1.267563 -0.106667 1.280101 0.064 Uiso 0.5 1 calc R U P A 1
C15 C 1.2595(3) 0.0237(7) 1.2344(6) 0.0492(17) Uani 0.5 1 d . U P A 1
H15 H 1.229900 0.022783 1.207117 0.059 Uiso 0.5 1 calc R U P A 1
C14 C 1.2825(3) 0.1042(6) 1.2314(5) 0.0450(17) Uani 0.5 1 d . U P A 1
C25 C 1.3179(4) 0.2657(9) 1.4766(11) 0.093(5) Uani 0.5 1 d D U P B 1
C26 C 1.3221(5) 0.2008(9) 1.5470(11) 0.102(5) Uani 0.5 1 d D U P B 1
H26 H 1.298979 0.164710 1.542582 0.122 Uiso 0.5 1 calc R U P B 1
C27 C 1.3609(6) 0.1906(12) 1.6236(14) 0.085(8) Uani 0.5 1 d D U P B 1
H27 H 1.363407 0.147034 1.669191 0.102 Uiso 0.5 1 calc R U P B 1
C28 C 1.3961(6) 0.2447(14) 1.6327(16) 0.069(6) Uani 0.5 1 d D U P B 1
H28 H 1.421930 0.236520 1.682951 0.083 Uiso 0.5 1 calc R U P B 1
C29 C 1.3915(4) 0.3121(11) 1.5639(13) 0.056(6) Uani 0.5 1 d D U P B 1
C30 C 1.4275(6) 0.3624(14) 1.5684(17) 0.061(6) Uani 0.5 1 d D U P B 1
H30 H 1.453633 0.353190 1.617644 0.073 Uiso 0.5 1 calc R U P B 1
C31 C 1.4237(7) 0.4259(15) 1.4983(18) 0.091(8) Uani 0.5 1 d D U P B 1
H31 H 1.447245 0.460035 1.501902 0.109 Uiso 0.5 1 calc R U P B 1
C32 C 1.3848(6) 0.4391(11) 1.4225(13) 0.102(5) Uani 0.5 1 d D U P B 1
H32 H 1.382537 0.483359 1.377815 0.123 Uiso 0.5 1 calc R U P B 1
C33 C 1.3493(5) 0.3863(9) 1.4134(11) 0.099(5) Uani 0.5 1 d D U P B 1
H33 H 1.323713 0.394269 1.362258 0.118 Uiso 0.5 1 calc R U P B 1
C34 C 1.3529(3) 0.3206(7) 1.4833(9) 0.064(3) Uani 0.5 1 d D U P B 1
C35 C 1.1818(4) -0.1772(11) 0.9479(9) 0.102(6) Uani 0.5 1 d D U P C 2
C36 C 1.1795(6) -0.2582(13) 0.9044(11) 0.112(7) Uani 0.5 1 d D U P C 2
H36 H 1.203335 -0.282233 0.897019 0.134 Uiso 0.5 1 calc R U P C 2
C37 C 1.1417(8) -0.3040(17) 0.8718(16) 0.121(12) Uani 0.5 1 d D U P C 2
H37 H 1.140246 -0.360217 0.844034 0.145 Uiso 0.5 1 calc R U P C 2
C38 C 1.1061(8) -0.2678(17) 0.880(2) 0.113(12) Uani 0.5 1 d D U P C 2
H38 H 1.080135 -0.297751 0.854785 0.136 Uiso 0.5 1 calc R U P C 2
C39 C 1.1093(6) -0.1866(15) 0.9248(18) 0.087(9) Uani 0.5 1 d D U P C 2
C40 C 1.0740(8) -0.1531(18) 0.937(2) 0.109(12) Uani 0.5 1 d D U P C 2
H40 H 1.048591 -0.185186 0.915300 0.131 Uiso 0.5 1 calc R U P C 2
C41 C 1.0764(7) -0.0727(17) 0.981(2) 0.106(10) Uani 0.5 1 d D U P C 2
H41 H 1.052288 -0.049331 0.987841 0.127 Uiso 0.5 1 calc R U P C 2
C42 C 1.1138(6) -0.0253(12) 1.0156(15) 0.124(8) Uani 0.5 1 d D U P C 2
H42 H 1.115020 0.029439 1.046094 0.149 Uiso 0.5 1 calc R U P C 2
C43 C 1.1494(5) -0.0593(10) 1.0051(12) 0.119(7) Uani 0.5 1 d D U P C 2
H43 H 1.174955 -0.027789 1.028775 0.142 Uiso 0.5 1 calc R U P C 2
C44 C 1.1471(4) -0.1403(8) 0.9592(8) 0.077(4) Uani 0.5 1 d D U P C 2
F3 F 1.2816(5) 0.2731(13) 1.4031(12) 0.184(7) Uani 0.5 1 d D . P B 1
F1 F 1.2181(5) -0.1358(15) 0.9771(15) 0.242(10) Uani 0.5 1 d D . P C 2
C45 C 1.1994(4) 0.4852(9) 1.0412(13) 0.205(5) Uani 0.5 1 d DG U P D 3
C46 C 1.1716(5) 0.4691(10) 1.0872(17) 0.201(5) Uani 0.5 1 d DG U P D 3
H46 H 1.142396 0.473482 1.054170 0.241 Uiso 0.5 1 calc R U P D 3
C47 C 1.1876(7) 0.4466(11) 1.1827(17) 0.201(5) Uani 0.5 1 d G U P D 3
H47 H 1.169090 0.435800 1.213462 0.242 Uiso 0.5 1 calc R U P D 3
C48 C 1.2313(7) 0.4401(11) 1.2320(13) 0.204(5) Uani 0.5 1 d G U P D 3
H48 H 1.242045 0.424972 1.295903 0.244 Uiso 0.5 1 calc R U P D 3
C49 C 1.2591(5) 0.4562(7) 1.1860(12) 0.201(5) Uani 0.5 1 d G U P D 3
C54 C 1.2431(4) 0.4787(6) 1.0906(11) 0.200(5) Uani 0.5 1 d DG U P D 3
C53 C 1.2708(5) 0.4948(9) 1.0445(14) 0.203(5) Uani 0.5 1 d G U P D 3
H53 H 1.260084 0.509936 0.980665 0.244 Uiso 0.5 1 calc R U P D 3
C52 C 1.3145(5) 0.4883(10) 1.0939(18) 0.201(5) Uani 0.5 1 d G U P D 3
H52 H 1.333039 0.499109 1.063103 0.241 Uiso 0.5 1 calc R U P D 3
C51 C 1.3305(4) 0.4658(10) 1.1893(18) 0.204(5) Uani 0.5 1 d G U P D 3
H51 H 1.359734 0.461427 1.222395 0.244 Uiso 0.5 1 calc R U P D 3
C50 C 1.3028(5) 0.4497(10) 1.2354(14) 0.203(5) Uani 0.5 1 d G U P D 3
H50 H 1.313475 0.434574 1.299250 0.243 Uiso 0.5 1 calc R U P D 3
F2 F 1.1851(6) 0.4962(12) 0.9540(15) 0.236(6) Uani 0.5 1 d D U P D 3


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag2 Ag2 3.1674(10) 2_858 ?
Ag2 C4 2.070(5) . ?
Ag2 C3 2.056(5) . ?
Ag1 Ag1 3.1908(11) 2_858 ?
Ag1 C2 2.056(5) . ?
Ag1 C1 2.047(5) . ?
Fe1 N3 2.265(3) . ?
Fe1 N6 2.157(4) 6_565 ?
Fe1 N4 2.241(5) 8_556 ?
Fe1 N2 2.151(4) . ?
Fe1 N5 2.159(4) 6 ?
Fe1 N1 2.141(4) . ?
N3 C5A 1.3900 . ?
N3 C9A 1.3900 . ?
N3 C9 1.250(13) . ?
N3 C5 1.298(13) . ?
C5A H5A 0.9300 . ?
C5A C6A 1.3900 . ?
C6A H6A 0.9300 . ?
C6A C7 1.3900 . ?
C7 C8A 1.3900 . ?
C7 C8 1.377(10) . ?
C7 C6 1.455(14) . ?
C7 C10 1.501(6) . ?
C7 C57 1.501(6) . ?
C8A H8A 0.9300 . ?
C8A C9A 1.3900 . ?
C9A H9A 0.9300 . ?
N6 C4 1.133(6) . ?
N4 C22 1.329(7) . ?
N4 C23 1.337(7) . ?
N2 C3 1.147(7) . ?
N5 C2 1.120(7) . ?
N1 C1 1.138(7) . ?
C22 H22 0.9300 . ?
C22 C21 1.382(8) . ?
C23 H23 0.9300 . ?
C23 C24 1.354(9) . ?
C20 C21 1.398(7) . ?
C20 C24 1.407(8) . ?
C20 C13 1.499(8) . ?
C20 C58 1.499(8) . ?
C21 H21 0.9300 . ?
C24 H24 0.9300 . ?
C8 H8 0.9300 . ?
C8 C9 1.373(15) . ?
C9 H9 0.9300 . ?
C5 H5 0.9300 . ?
C5 C6 1.359(16) . ?
C6 H6 0.9300 . ?
C13 C12 1.389(12) . ?
C13 C14 1.476(11) . ?
C12A H12A 0.9300 . ?
C12A C11A 1.444(10) . ?
C12A C58 1.509(9) . ?
C11A H11A 0.9300 . ?
C11A C57 1.553(10) . ?
C10 C11 1.334(12) . ?
C10 C19 1.341(11) . ?
C19A C18A 1.396(13) . ?
C19A C14A 1.385(9) . ?
C19A C57 1.339(8) . ?
C18A H18A 0.9300 . ?
C18A C17A 1.353(15) . ?
C17A H17A 0.9300 . ?
C17A C16A 1.406(11) . ?
C16A H16A 0.9300 . ?
C16A C15A 1.358(14) . ?
C15A H15A 0.9300 . ?
C15A C14A 1.375(13) . ?
C14A C58 1.210(9) . ?
C12 H12 0.9300 . ?
C12 C11 1.356(15) . ?
C11 H11 0.9300 . ?
C19 C18 1.420(14) . ?
C19 C14 1.419(13) . ?
C18 H18 0.9300 . ?
C18 C17 1.337(15) . ?
C17 H17 0.9300 . ?
C17 C16 1.403(14) . ?
C16 H16 0.9300 . ?
C16 C15 1.413(15) . ?
C15 H15 0.9300 . ?
C15 C14 1.438(14) . ?
C25 C26 1.410(13) . ?
C25 C34 1.413(12) . ?
C25 F3 1.319(16) . ?
C26 H26 0.9300 . ?
C26 C27 1.402(13) . ?
C27 H27 0.9300 . ?
C27 C28 1.400(13) . ?
C28 H28 0.9300 . ?
C28 C29 1.417(12) . ?
C29 C30 1.413(12) . ?
C29 C34 1.422(14) . ?
C30 H30 0.9300 . ?
C30 C31 1.395(14) . ?
C31 H31 0.9300 . ?
C31 C32 1.402(14) . ?
C32 H32 0.9300 . ?
C32 C33 1.398(13) . ?
C33 H33 0.9300 . ?
C33 C34 1.417(12) . ?
C35 C36 1.362(14) . ?
C35 C44 1.367(13) . ?
C35 F1 1.295(16) . ?
C36 H36 0.9300 . ?
C36 C37 1.366(15) . ?
C37 H37 0.9300 . ?
C37 C38 1.368(15) . ?
C38 H38 0.9300 . ?
C38 C39 1.373(14) . ?
C39 C40 1.372(14) . ?
C39 C44 1.372(15) . ?
C40 H40 0.9300 . ?
C40 C41 1.357(15) . ?
C41 H41 0.9300 . ?
C41 C42 1.368(15) . ?
C42 H42 0.9300 . ?
C42 C43 1.373(14) . ?
C43 H43 0.9300 . ?
C43 C44 1.379(13) . ?
C45 C46 1.3900 . ?
C45 C54 1.3900 . ?
C45 F2 1.243(18) . ?
C46 H46 0.9300 . ?
C46 C47 1.3900 . ?
C47 H47 0.9300 . ?
C47 C48 1.3900 . ?
C48 H48 0.9300 . ?
C48 C49 1.3900 . ?
C49 C54 1.3900 . ?
C49 C50 1.3900 . ?
C54 C53 1.3900 . ?
C53 H53 0.9300 . ?
C53 C52 1.3900 . ?
C52 H52 0.9300 . ?
C52 C51 1.3900 . ?
C51 H51 0.9300 . ?
C51 C50 1.3900 . ?
C50 H50 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C4 Ag2 Ag2 77.36(14) . 2_858 ?
C3 Ag2 Ag2 103.96(15) . 2_858 ?
C3 Ag2 C4 178.3(2) . . ?
C2 Ag1 Ag1 83.83(14) . 2_858 ?
C1 Ag1 Ag1 101.91(16) . 2_858 ?
C1 Ag1 C2 174.1(2) . . ?
N6 Fe1 N3 91.42(15) 6_565 . ?
N6 Fe1 N4 86.17(16) 6_565 8_556 ?
N6 Fe1 N5 90.36(18) 6_565 6 ?
N4 Fe1 N3 175.12(14) 8_556 . ?
N2 Fe1 N3 95.07(16) . . ?
N2 Fe1 N6 91.26(17) . 6_565 ?
N2 Fe1 N4 89.23(17) . 8_556 ?
N2 Fe1 N5 178.25(17) . 6 ?
N5 Fe1 N3 84.21(16) 6 . ?
N5 Fe1 N4 91.55(16) 6 8_556 ?
N1 Fe1 N3 89.81(16) . . ?
N1 Fe1 N6 178.68(17) . 6_565 ?
N1 Fe1 N4 92.57(17) . 8_556 ?
N1 Fe1 N2 89.12(18) . . ?
N1 Fe1 N5 89.28(19) . 6 ?
C5A N3 Fe1 117.7(2) . . ?
C5A N3 C9A 120.0 . . ?
C9A N3 Fe1 122.3(2) . . ?
C9 N3 Fe1 123.0(6) . . ?
C9 N3 C5 120.3(9) . . ?
C5 N3 Fe1 116.7(6) . . ?
N3 C5A H5A 120.0 . . ?
N3 C5A C6A 120.0 . . ?
C6A C5A H5A 120.0 . . ?
C5A C6A H6A 120.0 . . ?
C7 C6A C5A 120.0 . . ?
C7 C6A H6A 120.0 . . ?
C6A C7 C8A 120.0 . . ?
C6A C7 C57 117.2(4) . . ?
C8A C7 C57 122.7(4) . . ?
C8 C7 C6 112.8(8) . . ?
C8 C7 C10 125.1(7) . . ?
C6 C7 C10 122.0(6) . . ?
C7 C8A H8A 120.0 . . ?
C9A C8A C7 120.0 . . ?
C9A C8A H8A 120.0 . . ?
N3 C9A H9A 120.0 . . ?
C8A C9A N3 120.0 . . ?
C8A C9A H9A 120.0 . . ?
C4 N6 Fe1 177.1(4) . 6_566 ?
C22 N4 Fe1 120.7(3) . 8_455 ?
C22 N4 C23 115.7(5) . . ?
C23 N4 Fe1 123.5(4) . 8_455 ?
C3 N2 Fe1 170.6(5) . . ?
C2 N5 Fe1 167.3(4) . 6_556 ?
C1 N1 Fe1 175.1(5) . . ?
N6 C4 Ag2 174.9(5) . . ?
N5 C2 Ag1 174.9(5) . . ?
N2 C3 Ag2 178.5(5) . . ?
N4 C22 H22 117.7 . . ?
N4 C22 C21 124.5(5) . . ?
C21 C22 H22 117.7 . . ?
N4 C23 H23 117.8 . . ?
N4 C23 C24 124.4(6) . . ?
C24 C23 H23 117.8 . . ?
C21 C20 C24 115.3(5) . . ?
C21 C20 C13 120.0(5) . . ?
C21 C20 C58 120.0(5) . . ?
C24 C20 C13 124.6(5) . . ?
C24 C20 C58 124.6(5) . . ?
C22 C21 C20 119.5(6) . . ?
C22 C21 H21 120.2 . . ?
C20 C21 H21 120.2 . . ?
N1 C1 Ag1 178.1(5) . . ?
C23 C24 C20 120.5(5) . . ?
C23 C24 H24 119.7 . . ?
C20 C24 H24 119.7 . . ?
C7 C8 H8 119.3 . . ?
C9 C8 C7 121.3(10) . . ?
C9 C8 H8 119.3 . . ?
N3 C9 C8 123.4(10) . . ?
N3 C9 H9 118.3 . . ?
C8 C9 H9 118.3 . . ?
N3 C5 H5 118.7 . . ?
N3 C5 C6 122.5(11) . . ?
C6 C5 H5 118.7 . . ?
C7 C6 H6 120.2 . . ?
C5 C6 C7 119.6(9) . . ?
C5 C6 H6 120.2 . . ?
C12 C13 C20 123.0(6) . . ?
C12 C13 C14 107.7(7) . . ?
C14 C13 C20 129.0(6) . . ?
C11A C12A H12A 124.8 . . ?
C11A C12A C58 110.4(7) . . ?
C58 C12A H12A 124.8 . . ?
C12A C11A H11A 118.3 . . ?
C12A C11A C57 123.5(8) . . ?
C57 C11A H11A 118.3 . . ?
C11 C10 C7 114.2(6) . . ?
C11 C10 C19 126.2(7) . . ?
C19 C10 C7 119.6(6) . . ?
C14A C19A C18A 116.7(8) . . ?
C57 C19A C18A 110.7(7) . . ?
C57 C19A C14A 132.5(8) . . ?
C19A C18A H18A 119.8 . . ?
C17A C18A C19A 120.5(9) . . ?
C17A C18A H18A 119.8 . . ?
C18A C17A H17A 119.3 . . ?
C18A C17A C16A 121.4(10) . . ?
C16A C17A H17A 119.3 . . ?
C17A C16A H16A 120.5 . . ?
C15A C16A C17A 119.0(10) . . ?
C15A C16A H16A 120.5 . . ?
C16A C15A H15A 120.5 . . ?
C16A C15A C14A 119.0(8) . . ?
C14A C15A H15A 120.5 . . ?
C15A C14A C19A 123.3(8) . . ?
C58 C14A C19A 116.5(8) . . ?
C58 C14A C15A 120.0(7) . . ?
C20 C58 C12A 105.5(5) . . ?
C14A C58 C20 126.4(6) . . ?
C14A C58 C12A 126.6(7) . . ?
C13 C12 H12 114.8 . . ?
C11 C12 C13 130.4(9) . . ?
C11 C12 H12 114.8 . . ?
C10 C11 C12 115.3(9) . . ?
C10 C11 H11 122.4 . . ?
C12 C11 H11 122.4 . . ?
C7 C57 C11A 115.0(5) . . ?
C19A C57 C7 137.3(6) . . ?
C19A C57 C11A 107.1(6) . . ?
C10 C19 C18 125.3(8) . . ?
C10 C19 C14 114.9(8) . . ?
C14 C19 C18 119.6(9) . . ?
C19 C18 H18 119.0 . . ?
C17 C18 C19 121.9(10) . . ?
C17 C18 H18 119.0 . . ?
C18 C17 H17 119.7 . . ?
C18 C17 C16 120.6(10) . . ?
C16 C17 H17 119.7 . . ?
C17 C16 H16 119.8 . . ?
C17 C16 C15 120.4(9) . . ?
C15 C16 H16 119.8 . . ?
C16 C15 H15 120.3 . . ?
C16 C15 C14 119.4(9) . . ?
C14 C15 H15 120.3 . . ?
C19 C14 C13 124.9(8) . . ?
C19 C14 C15 118.1(9) . . ?
C15 C14 C13 116.9(8) . . ?
C26 C25 C34 119.9(11) . . ?
F3 C25 C26 119.9(14) . . ?
F3 C25 C34 120.2(13) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 C25 120.2(12) . . ?
C27 C26 H26 119.9 . . ?
C26 C27 H27 119.4 . . ?
C28 C27 C26 121.2(13) . . ?
C28 C27 H27 119.4 . . ?
C27 C28 H28 120.6 . . ?
C27 C28 C29 118.7(12) . . ?
C29 C28 H28 120.6 . . ?
C28 C29 C34 120.8(11) . . ?
C30 C29 C28 119.1(12) . . ?
C30 C29 C34 119.5(11) . . ?
C29 C30 H30 120.3 . . ?
C31 C30 C29 119.4(14) . . ?
C31 C30 H30 120.3 . . ?
C30 C31 H31 119.6 . . ?
C30 C31 C32 120.9(15) . . ?
C32 C31 H31 119.6 . . ?
C31 C32 H32 119.6 . . ?
C33 C32 C31 120.7(13) . . ?
C33 C32 H32 119.6 . . ?
C32 C33 H33 120.5 . . ?
C32 C33 C34 118.9(12) . . ?
C34 C33 H33 120.5 . . ?
C25 C34 C29 119.0(10) . . ?
C25 C34 C33 120.7(11) . . ?
C33 C34 C29 120.2(10) . . ?
C36 C35 C44 121.4(12) . . ?
F1 C35 C36 117.4(18) . . ?
F1 C35 C44 121.2(17) . . ?
C35 C36 H36 120.3 . . ?
C35 C36 C37 119.4(14) . . ?
C37 C36 H36 120.3 . . ?
C36 C37 H37 119.7 . . ?
C36 C37 C38 120.7(16) . . ?
C38 C37 H37 119.7 . . ?
C37 C38 H38 120.5 . . ?
C37 C38 C39 118.9(16) . . ?
C39 C38 H38 120.5 . . ?
C40 C39 C38 118.6(15) . . ?
C40 C39 C44 120.1(14) . . ?
C44 C39 C38 121.2(14) . . ?
C39 C40 H40 120.2 . . ?
C41 C40 C39 119.6(16) . . ?
C41 C40 H40 120.2 . . ?
C40 C41 H41 119.4 . . ?
C40 C41 C42 121.2(16) . . ?
C42 C41 H41 119.4 . . ?
C41 C42 H42 120.2 . . ?
C41 C42 C43 119.6(14) . . ?
C43 C42 H42 120.2 . . ?
C42 C43 H43 120.1 . . ?
C42 C43 C44 119.7(13) . . ?
C44 C43 H43 120.1 . . ?
C35 C44 C39 118.3(12) . . ?
C35 C44 C43 121.8(12) . . ?
C39 C44 C43 119.9(12) . . ?
C46 C45 C54 120.0 . . ?
F2 C45 C46 119.9(8) . . ?
F2 C45 C54 119.7(8) . . ?
C45 C46 H46 120.0 . . ?
C45 C46 C47 120.0 . . ?
C47 C46 H46 120.0 . . ?
C46 C47 H47 120.0 . . ?
C46 C47 C48 120.0 . . ?
C48 C47 H47 120.0 . . ?
C47 C48 H48 120.0 . . ?
C49 C48 C47 120.0 . . ?
C49 C48 H48 120.0 . . ?
C48 C49 C54 120.0 . . ?
C48 C49 C50 120.0 . . ?
C54 C49 C50 120.0 . . ?
C49 C54 C45 120.0 . . ?
C53 C54 C45 120.0 . . ?
C53 C54 C49 120.0 . . ?
C54 C53 H53 120.0 . . ?
C52 C53 C54 120.0 . . ?
C52 C53 H53 120.0 . . ?
C53 C52 H52 120.0 . . ?
C53 C52 C51 120.0 . . ?
C51 C52 H52 120.0 . . ?
C52 C51 H51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C50 C51 H51 120.0 . . ?
C49 C50 H50 120.0 . . ?
C51 C50 C49 120.0 . . ?
C51 C50 H50 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Fe1 N3 C5A C6A 179.2(2) . . . . ?
Fe1 N3 C9A C8A -179.2(2) . . . . ?
Fe1 N3 C9 C8 -179.4(8) . . . . ?
Fe1 N3 C5 C6 179.3(8) . . . . ?
Fe1 N4 C22 C21 -178.6(5) 8_455 . . . ?
Fe1 N4 C23 C24 178.0(5) 8_455 . . . ?
N3 C5A C6A C7 0.0 . . . . ?
N3 C5 C6 C7 2.3(15) . . . . ?
C5A N3 C9A C8A 0.0 . . . . ?
C5A C6A C7 C8A 0.0 . . . . ?
C5A C6A C7 C57 176.5(4) . . . . ?
C6A C7 C8A C9A 0.0 . . . . ?
C6A C7 C57 C11A -111.7(8) . . . . ?
C6A C7 C57 C19A 78.7(10) . . . . ?
C7 C8A C9A N3 0.0 . . . . ?
C7 C8 C9 N3 -2.1(16) . . . . ?
C7 C10 C11 C12 -171.7(4) . . . . ?
C7 C10 C19 C18 -3.1(9) . . . . ?
C7 C10 C19 C14 172.4(6) . . . . ?
C8A C7 C57 C11A 64.7(9) . . . . ?
C8A C7 C57 C19A -104.9(10) . . . . ?
C9A N3 C5A C6A 0.0 . . . . ?
N4 C22 C21 C20 1.0(10) . . . . ?
N4 C23 C24 C20 0.0(10) . . . . ?
C22 N4 C23 C24 -0.3(9) . . . . ?
C23 N4 C22 C21 -0.3(9) . . . . ?
C20 C13 C12 C11 173.7(5) . . . . ?
C20 C13 C14 C19 -172.7(6) . . . . ?
C20 C13 C14 C15 5.7(9) . . . . ?
C21 C20 C24 C23 0.7(9) . . . . ?
C21 C20 C13 C12 58.7(7) . . . . ?
C21 C20 C13 C14 -128.0(6) . . . . ?
C21 C20 C58 C12A 139.8(8) . . . . ?
C21 C20 C58 C14A -53.2(10) . . . . ?
C24 C20 C21 C22 -1.1(9) . . . . ?
C24 C20 C13 C12 -117.0(6) . . . . ?
C24 C20 C13 C14 56.3(8) . . . . ?
C24 C20 C58 C12A -36.0(9) . . . . ?
C24 C20 C58 C14A 131.0(8) . . . . ?
C8 C7 C6 C5 -3.8(12) . . . . ?
C8 C7 C10 C11 123.3(8) . . . . ?
C8 C7 C10 C19 -57.9(9) . . . . ?
C9 N3 C5 C6 -0.3(14) . . . . ?
C5 N3 C9 C8 0.1(15) . . . . ?
C6 C7 C8 C9 3.7(13) . . . . ?
C6 C7 C10 C11 -54.4(8) . . . . ?
C6 C7 C10 C19 124.4(7) . . . . ?
C13 C20 C21 C22 -177.3(5) . . . . ?
C13 C20 C24 C23 176.6(5) . . . . ?
C13 C12 C11 C10 -4.1(3) . . . . ?
C12A C11A C57 C7 175.9(11) . . . . ?
C12A C11A C57 C19A -11.5(16) . . . . ?
C11A C12A C58 C20 -176.0(10) . . . . ?
C11A C12A C58 C14A 17.0(16) . . . . ?
C10 C7 C8 C9 -174.2(8) . . . . ?
C10 C7 C6 C5 174.2(8) . . . . ?
C10 C19 C18 C17 174.4(6) . . . . ?
C10 C19 C14 C13 3.0(9) . . . . ?
C10 C19 C14 C15 -175.5(6) . . . . ?
C19A C18A C17A C16A -3.1(17) . . . . ?
C19A C14A C58 C20 177.5(7) . . . . ?
C19A C14A C58 C12A -18.2(14) . . . . ?
C18A C19A C14A C15A 1.6(14) . . . . ?
C18A C19A C14A C58 -173.9(9) . . . . ?
C18A C19A C57 C7 -2.0(13) . . . . ?
C18A C19A C57 C11A -172.1(9) . . . . ?
C18A C17A C16A C15A 4.0(17) . . . . ?
C17A C16A C15A C14A -2.1(16) . . . . ?
C16A C15A C14A C19A -0.7(15) . . . . ?
C16A C15A C14A C58 174.7(9) . . . . ?
C15A C14A C58 C20 1.8(13) . . . . ?
C15A C14A C58 C12A 166.1(9) . . . . ?
C14A C19A C18A C17A 0.3(15) . . . . ?
C14A C19A C57 C7 -177.2(8) . . . . ?
C14A C19A C57 C11A 12.6(14) . . . . ?
C58 C20 C21 C22 -177.3(5) . . . . ?
C58 C20 C24 C23 176.6(5) . . . . ?
C58 C12A C11A C57 -0.3(18) . . . . ?
C12 C13 C14 C19 1.4(6) . . . . ?
C12 C13 C14 C15 179.8(4) . . . . ?
C11 C10 C19 C18 175.5(6) . . . . ?
C11 C10 C19 C14 -9.0(9) . . . . ?
C57 C7 C8A C9A -176.3(4) . . . . ?
C57 C19A C18A C17A -175.7(9) . . . . ?
C57 C19A C14A C15A 176.6(9) . . . . ?
C57 C19A C14A C58 1.1(15) . . . . ?
C19 C10 C11 C12 9.5(7) . . . . ?
C19 C18 C17 C16 1.8(10) . . . . ?
C18 C19 C14 C13 178.7(5) . . . . ?
C18 C19 C14 C15 0.3(9) . . . . ?
C18 C17 C16 C15 -2.1(10) . . . . ?
C17 C16 C15 C14 1.5(9) . . . . ?
C16 C15 C14 C13 -179.2(5) . . . . ?
C16 C15 C14 C19 -0.6(9) . . . . ?
C14 C13 C12 C11 -0.8(3) . . . . ?
C14 C19 C18 C17 -0.9(10) . . . . ?
C25 C26 C27 C28 0.8(15) . . . . ?
C26 C25 C34 C29 -2.9(18) . . . . ?
C26 C25 C34 C33 -179.8(11) . . . . ?
C26 C27 C28 C29 1(3) . . . . ?
C27 C28 C29 C30 -175(2) . . . . ?
C27 C28 C29 C34 -5(3) . . . . ?
C28 C29 C30 C31 177(2) . . . . ?
C28 C29 C34 C25 5(2) . . . . ?
C28 C29 C34 C33 -177.8(16) . . . . ?
C29 C30 C31 C32 -1(4) . . . . ?
C30 C29 C34 C25 175.9(16) . . . . ?
C30 C29 C34 C33 -7(2) . . . . ?
C30 C31 C32 C33 -2(4) . . . . ?
C31 C32 C33 C34 1(3) . . . . ?
C32 C33 C34 C25 -179.8(14) . . . . ?
C32 C33 C34 C29 3(2) . . . . ?
C34 C25 C26 C27 -0.1(9) . . . . ?
C34 C29 C30 C31 6(3) . . . . ?
C35 C36 C37 C38 2.2(17) . . . . ?
C36 C35 C44 C39 -0.5(15) . . . . ?
C36 C35 C44 C43 178.4(12) . . . . ?
C36 C37 C38 C39 -3(3) . . . . ?
C37 C38 C39 C40 -176(2) . . . . ?
C37 C38 C39 C44 2(4) . . . . ?
C38 C39 C40 C41 -180(3) . . . . ?
C38 C39 C44 C35 0(3) . . . . ?
C38 C39 C44 C43 -179(2) . . . . ?
C39 C40 C41 C42 -2(4) . . . . ?
C40 C39 C44 C35 178(2) . . . . ?
C40 C39 C44 C43 -1(3) . . . . ?
C40 C41 C42 C43 1(4) . . . . ?
C41 C42 C43 C44 0(3) . . . . ?
C42 C43 C44 C35 -179.3(14) . . . . ?
C42 C43 C44 C39 0(3) . . . . ?
C44 C35 C36 C37 -0.4(7) . . . . ?
C44 C39 C40 C41 2(4) . . . . ?
F3 C25 C26 C27 177.9(17) . . . . ?
F3 C25 C34 C29 179.1(16) . . . . ?
F3 C25 C34 C33 2(2) . . . . ?
F1 C35 C36 C37 -179.5(15) . . . . ?
F1 C35 C44 C39 178.6(19) . . . . ?
F1 C35 C44 C43 -2.5(18) . . . . ?
C45 C46 C47 C48 0.0 . . . . ?
C45 C54 C53 C52 180.0 . . . . ?
C46 C45 C54 C49 0.0 . . . . ?
C46 C45 C54 C53 180.0 . . . . ?
C46 C47 C48 C49 0.0 . . . . ?
C47 C48 C49 C54 0.0 . . . . ?
C47 C48 C49 C50 180.0 . . . . ?
C48 C49 C54 C45 0.0 . . . . ?
C48 C49 C54 C53 180.0 . . . . ?
C48 C49 C50 C51 180.0 . . . . ?
C49 C54 C53 C52 0.0 . . . . ?
C54 C45 C46 C47 0.0 . . . . ?
C54 C49 C50 C51 0.0 . . . . ?
C54 C53 C52 C51 0.0 . . . . ?
C53 C52 C51 C50 0.0 . . . . ?
C52 C51 C50 C49 0.0 . . . . ?
C50 C49 C54 C45 180.0 . . . . ?
C50 C49 C54 C53 0.0 . . . . ?
F2 C45 C46 C47 172.5(16) . . . . ?
F2 C45 C54 C49 -172.6(16) . . . . ?
F2 C45 C54 C53 7.4(16) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
