#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:00:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179088 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/50/4305001.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4305001
loop_
_publ_author_name
'Yixun Zhang'
'Banglin Chen'
'Frank R. Fronczek'
'Andrew W. Maverick'
_publ_section_title
;
A Nanoporous Ag-Fe Mixed-Metal-Organic Framework Exhibiting
Single-Crystal-to-Single-Crystal Transformations upon Guest Exchange
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4433
_journal_page_last               4435
_journal_paper_doi               10.1021/ic800183v
_journal_volume                  47
_journal_year                    2008
_chemical_compound_source        'local laboratory'
_chemical_formula_moiety
'2(C30 H30 Fe N3 O6), 3(Ag N O3), 5(C6 H5 Br)'
_chemical_formula_sum            'C90 H85 Ag3 Br5 Fe2 N9 O21'
_chemical_formula_weight         2463.53
_chemical_name_common
;
 Silver nitrate-iron(III) pyridylacetylacetonate
 bromobenzene solvate (3:2:5)
;
_chemical_name_systematic
;
 Tris[nitratosilver]bis[tris-[3-(4-pyridinyl)-
 2,4-pentanedionato]iron], compound with bromobenzene (1:5)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.840(12)
_cell_angle_beta                 92.850(11)
_cell_angle_gamma                99.92(2)
_cell_formula_units_Z            2
_cell_length_a                   7.841(2)
_cell_length_b                   15.528(4)
_cell_length_c                   39.510(12)
_cell_measurement_reflns_used    13841
_cell_measurement_temperature    100
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.5
_cell_volume                     4729(2)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare  et al., 1999)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.92
_diffrn_measured_fraction_theta_max 0.92
_diffrn_measurement_device       'KappaCCD (with Oxford Cryostream)'
_diffrn_measurement_method       ' ω scans with κ offsets'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.051
_diffrn_reflns_av_sigmaI/netI    0.1085
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            46416
_diffrn_reflns_theta_full        26.1
_diffrn_reflns_theta_max         26.1
_diffrn_reflns_theta_min         2.5
_diffrn_standards_decay_%        <2
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.096
_exptl_absorpt_correction_T_max  0.857
_exptl_absorpt_correction_T_min  0.615
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'HKL Scalepack (Otwinowski & Minor 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             2448
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.19
_refine_diff_density_min         -3.08
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1110
_refine_ls_number_reflns         17244
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.142
_refine_ls_R_factor_all          0.155
_refine_ls_R_factor_gt           0.084
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1031P)²+1.0P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.203
_refine_ls_wR_factor_ref         0.227
_reflns_number_gt                9600
_reflns_number_total             17244
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic800183v-file004_4.cif
_cod_data_source_block           M'MOF2b'_Fe2Ag3-5PhBr
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4305001
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.95321(14) 0.50099(6) 0.24975(2) 0.0603(3) Uani 1 1 d . . .
Ag2 Ag 0.50246(8) 1.52567(5) 0.038210(18) 0.0296(2) Uani 1 1 d . . .
Ag3 Ag 0.00369(8) 0.47462(4) 0.462628(17) 0.02554(19) Uani 1 1 d . . .
Fe1 Fe 0.92151(15) 0.98520(9) 0.09952(3) 0.0263(3) Uani 1 1 d . . .
Fe2 Fe 0.58114(15) 0.01495(8) 0.40061(3) 0.0247(3) Uani 1 1 d . . .
O1 O 0.8731(8) 0.9779(4) 0.14866(15) 0.0335(16) Uani 1 1 d . . .
O2 O 0.8168(7) 0.8581(4) 0.09746(15) 0.0315(16) Uani 1 1 d . . .
O3 O 0.6988(7) 1.0152(4) 0.08019(15) 0.0298(16) Uani 1 1 d . . .
O4 O 0.9974(7) 1.1127(4) 0.10450(15) 0.0277(15) Uani 1 1 d . . .
O5 O 0.9994(7) 0.9672(4) 0.05278(15) 0.0295(15) Uani 1 1 d . . .
O6 O 1.1607(7) 0.9627(4) 0.11390(15) 0.0254(14) Uani 1 1 d . . .
O7 O 0.3425(7) 0.0323(4) 0.38525(15) 0.0292(15) Uani 1 1 d . . .
O8 O 0.4979(7) 0.0294(4) 0.44702(15) 0.0284(15) Uani 1 1 d . . .
O9 O 0.6711(7) 0.1449(4) 0.40357(14) 0.0248(14) Uani 1 1 d . . .
O10 O 0.6617(7) 0.0224(4) 0.35367(14) 0.0268(14) Uani 1 1 d . . .
O11 O 0.7999(7) -0.0129(4) 0.42222(15) 0.0258(14) Uani 1 1 d . . .
O12 O 0.5111(7) -0.1126(4) 0.39408(15) 0.0288(15) Uani 1 1 d . . .
N1 N 0.9274(11) 0.6146(5) 0.2205(2) 0.039(2) Uani 1 1 d . . .
N2 N 0.5838(9) 1.4051(5) 0.05070(19) 0.0319(19) Uani 1 1 d . . .
N3 N 1.4057(9) 0.6457(5) 0.03592(18) 0.0275(18) Uani 1 1 d . . .
N4 N 0.0940(8) 0.3508(5) 0.46221(18) 0.0240(17) Uani 1 1 d . . .
N5 N 0.8731(11) 0.3873(5) 0.2802(2) 0.040(2) Uani 1 1 d . . .
N6 N 0.9234(8) -0.4014(5) 0.45227(18) 0.0238(17) Uani 1 1 d . . .
C1 C 0.9154(13) 0.9377(7) 0.2049(2) 0.042(3) Uani 1 1 d . . .
H1A H 1.0399 0.9440 0.2108 0.063 Uiso 1 1 calc R . .
H1B H 0.8519 0.8917 0.2181 0.063 Uiso 1 1 calc R . .
H1C H 0.8765 0.9931 0.2099 0.063 Uiso 1 1 calc R . .
C2 C 0.8816(11) 0.9135(7) 0.1678(2) 0.032(2) Uani 1 1 d . . .
C3 C 0.8692(11) 0.8263(6) 0.1550(2) 0.030(2) Uani 1 1 d . . .
C4 C 0.8285(11) 0.8044(6) 0.1208(2) 0.031(2) Uani 1 1 d . . .
C5 C 0.7922(13) 0.7090(6) 0.1092(3) 0.040(3) Uani 1 1 d . . .
H5A H 0.7765 0.7042 0.0844 0.061 Uiso 1 1 calc R . .
H5B H 0.6865 0.6798 0.1191 0.061 Uiso 1 1 calc R . .
H5C H 0.8899 0.6811 0.1166 0.061 Uiso 1 1 calc R . .
C6 C 0.8872(13) 0.7565(6) 0.1793(2) 0.038(3) Uani 1 1 d . . .
C7 C 0.7446(13) 0.6983(7) 0.1895(3) 0.044(3) Uani 1 1 d . . .
H7 H 0.6304 0.7056 0.1826 0.052 Uiso 1 1 calc R . .
C8 C 0.7696(14) 0.6298(7) 0.2099(3) 0.047(3) Uani 1 1 d . . .
H8 H 0.6703 0.5916 0.2168 0.056 Uiso 1 1 calc R . .
C9 C 1.0618(13) 0.6703(7) 0.2110(3) 0.049(3) Uani 1 1 d . . .
H9 H 1.1747 0.6619 0.2185 0.058 Uiso 1 1 calc R . .
C10 C 1.0474(14) 0.7390(7) 0.1912(3) 0.047(3) Uani 1 1 d . . .
H10 H 1.1499 0.7761 0.1852 0.056 Uiso 1 1 calc R . .
C11 C 0.4880(10) 1.0774(6) 0.0504(2) 0.032(2) Uani 1 1 d . . .
H11A H 0.4658 1.0212 0.0375 0.049 Uiso 1 1 calc R . .
H11B H 0.4936 1.1251 0.0346 0.049 Uiso 1 1 calc R . .
H11C H 0.3942 1.0802 0.0656 0.049 Uiso 1 1 calc R . .
C12 C 0.6584(11) 1.0862(7) 0.0709(2) 0.030(2) Uani 1 1 d . . .
C13 C 0.7625(11) 1.1690(6) 0.0787(2) 0.026(2) Uani 1 1 d . . .
C14 C 0.9293(11) 1.1762(6) 0.0961(2) 0.028(2) Uani 1 1 d . . .
C15 C 1.0325(13) 1.2662(6) 0.1056(3) 0.044(3) Uani 1 1 d . . .
H15A H 1.0973 1.2644 0.1273 0.066 Uiso 1 1 calc R . .
H15B H 0.9532 1.3083 0.1076 0.066 Uiso 1 1 calc R . .
H15C H 1.1137 1.2842 0.0880 0.066 Uiso 1 1 calc R . .
C16 C 0.6965(11) 1.2481(6) 0.0683(2) 0.025(2) Uani 1 1 d . . .
C17 C 0.7912(11) 1.3097(6) 0.0485(2) 0.031(2) Uani 1 1 d . . .
H17 H 0.8970 1.2984 0.0401 0.037 Uiso 1 1 calc R . .
C18 C 0.7352(11) 1.3872(6) 0.0408(2) 0.031(2) Uani 1 1 d . . .
H18 H 0.8064 1.4287 0.0282 0.037 Uiso 1 1 calc R . .
C19 C 0.4905(11) 1.3461(6) 0.0692(2) 0.033(2) Uani 1 1 d . . .
H19 H 0.3814 1.3571 0.0760 0.040 Uiso 1 1 calc R . .
C20 C 0.5416(10) 1.2717(6) 0.0789(2) 0.030(2) Uani 1 1 d . . .
H20 H 0.4716 1.2344 0.0933 0.036 Uiso 1 1 calc R . .
C21 C 1.0821(12) 0.8887(6) 0.0064(2) 0.032(2) Uani 1 1 d . . .
H21A H 0.9807 0.8437 0.0001 0.048 Uiso 1 1 calc R . .
H21B H 1.1879 0.8666 0.0012 0.048 Uiso 1 1 calc R . .
H21C H 1.0750 0.9411 -0.0064 0.048 Uiso 1 1 calc R . .
C22 C 1.0861(11) 0.9113(6) 0.0436(2) 0.027(2) Uani 1 1 d . . .
C23 C 1.1982(10) 0.8727(6) 0.0664(2) 0.026(2) Uani 1 1 d . . .
C24 C 1.2319(11) 0.9052(6) 0.1000(2) 0.030(2) Uani 1 1 d . . .
C25 C 1.3698(11) 0.8715(7) 0.1226(2) 0.037(3) Uani 1 1 d . . .
H25A H 1.4855 0.8954 0.1153 0.055 Uiso 1 1 calc R . .
H25B H 1.3512 0.8075 0.1205 0.055 Uiso 1 1 calc R . .
H25C H 1.3605 0.8902 0.1462 0.055 Uiso 1 1 calc R . .
C26 C 1.2733(11) 0.7980(6) 0.0534(2) 0.027(2) Uani 1 1 d . . .
C27 C 1.4500(10) 0.7999(7) 0.0481(2) 0.027(2) Uani 1 1 d . . .
H27 H 1.5290 0.8538 0.0504 0.032 Uiso 1 1 calc R . .
C28 C 1.5085(11) 0.7245(6) 0.0395(2) 0.024(2) Uani 1 1 d . . .
H28 H 1.6283 0.7280 0.0359 0.029 Uiso 1 1 calc R . .
C29 C 1.2344(12) 0.6428(6) 0.0401(2) 0.031(2) Uani 1 1 d . . .
H29 H 1.1585 0.5880 0.0375 0.038 Uiso 1 1 calc R . .
C30 C 1.1674(12) 0.7160(6) 0.0477(2) 0.031(2) Uani 1 1 d . . .
H30 H 1.0456 0.7113 0.0493 0.037 Uiso 1 1 calc R . .
C31 C 0.1266(11) 0.1193(7) 0.3759(2) 0.034(2) Uani 1 1 d . . .
H31A H 0.1473 0.1075 0.3521 0.051 Uiso 1 1 calc R . .
H31B H 0.1313 0.1822 0.3800 0.051 Uiso 1 1 calc R . .
H31C H 0.0121 0.0878 0.3810 0.051 Uiso 1 1 calc R . .
C32 C 0.2657(10) 0.0885(6) 0.3986(2) 0.023(2) Uani 1 1 d . . .
C33 C 0.2990(10) 0.1233(6) 0.4325(2) 0.022(2) Uani 1 1 d . . .
C34 C 0.4098(10) 0.0866(6) 0.4556(2) 0.027(2) Uani 1 1 d . . .
C35 C 0.4122(11) 0.1100(6) 0.4923(2) 0.029(2) Uani 1 1 d . . .
H35A H 0.4333 0.0601 0.5055 0.044 Uiso 1 1 calc R . .
H35B H 0.3003 0.1254 0.4978 0.044 Uiso 1 1 calc R . .
H35C H 0.5047 0.1602 0.4980 0.044 Uiso 1 1 calc R . .
C36 C 0.2240(10) 0.1991(6) 0.4444(2) 0.022(2) Uani 1 1 d . . .
C37 C 0.0494(11) 0.1965(6) 0.4506(2) 0.024(2) Uani 1 1 d . . .
H37 H -0.0284 0.1422 0.4489 0.029 Uiso 1 1 calc R . .
C38 C -0.0098(11) 0.2706(6) 0.4589(2) 0.028(2) Uani 1 1 d . . .
H38 H -0.1295 0.2667 0.4627 0.034 Uiso 1 1 calc R . .
C39 C 0.2631(10) 0.3524(6) 0.4570(2) 0.026(2) Uani 1 1 d . . .
H39 H 0.3387 0.4074 0.4591 0.031 Uiso 1 1 calc R . .
C40 C 0.3323(10) 0.2801(6) 0.4491(2) 0.028(2) Uani 1 1 d . . .
H40 H 0.4536 0.2849 0.4468 0.033 Uiso 1 1 calc R . .
C41 C 0.7260(11) 0.2949(6) 0.3909(2) 0.033(2) Uani 1 1 d . . .
H41A H 0.7167 0.3002 0.4155 0.050 Uiso 1 1 calc R . .
H41B H 0.6363 0.3219 0.3794 0.050 Uiso 1 1 calc R . .
H41C H 0.8407 0.3245 0.3850 0.050 Uiso 1 1 calc R . .
C42 C 0.7014(10) 0.1977(6) 0.3797(2) 0.024(2) Uani 1 1 d . . .
C43 C 0.7209(11) 0.1739(6) 0.3461(2) 0.024(2) Uani 1 1 d . . .
C44 C 0.7064(11) 0.0870(6) 0.3342(2) 0.028(2) Uani 1 1 d . . .
C45 C 0.7439(13) 0.0624(7) 0.2990(2) 0.039(3) Uani 1 1 d . . .
H45A H 0.8647 0.0540 0.2985 0.058 Uiso 1 1 calc R . .
H45B H 0.7249 0.1092 0.2839 0.058 Uiso 1 1 calc R . .
H45C H 0.6667 0.0080 0.2914 0.058 Uiso 1 1 calc R . .
C46 C 0.7726(12) 0.2459(6) 0.3217(2) 0.031(2) Uani 1 1 d . . .
C47 C 0.9453(12) 0.2782(7) 0.3168(2) 0.039(3) Uani 1 1 d . . .
H47 H 1.0336 0.2529 0.3279 0.047 Uiso 1 1 calc R . .
C48 C 0.9900(14) 0.3477(8) 0.2957(2) 0.047(3) Uani 1 1 d . . .
H48 H 1.1091 0.3675 0.2922 0.057 Uiso 1 1 calc R . .
C49 C 0.7068(14) 0.3563(7) 0.2848(3) 0.047(3) Uani 1 1 d . . .
H49 H 0.6216 0.3845 0.2740 0.056 Uiso 1 1 calc R . .
C50 C 0.6514(13) 0.2861(7) 0.3041(3) 0.045(3) Uani 1 1 d . . .
H50 H 0.5309 0.2650 0.3055 0.054 Uiso 1 1 calc R . .
C51 C 1.0069(11) -0.0739(6) 0.4538(2) 0.035(3) Uani 1 1 d . . .
H51A H 1.1038 -0.0797 0.4397 0.053 Uiso 1 1 calc R . .
H51B H 0.9959 -0.1194 0.4706 0.053 Uiso 1 1 calc R . .
H51C H 1.0285 -0.0161 0.4655 0.053 Uiso 1 1 calc R . .
C52 C 0.8406(10) -0.0840(6) 0.4317(2) 0.024(2) Uani 1 1 d . . .
C53 C 0.7439(9) -0.1670(6) 0.4229(2) 0.021(2) Uani 1 1 d . . .
C54 C 0.5806(11) -0.1774(6) 0.4032(2) 0.027(2) Uani 1 1 d . . .
C55 C 0.4859(12) -0.2658(6) 0.3913(2) 0.035(2) Uani 1 1 d . . .
H55A H 0.4137 -0.2913 0.4093 0.053 Uiso 1 1 calc R . .
H55B H 0.5697 -0.3036 0.3860 0.053 Uiso 1 1 calc R . .
H55C H 0.4123 -0.2605 0.3710 0.053 Uiso 1 1 calc R . .
C56 C 0.8069(10) -0.2475(6) 0.4337(2) 0.0206(19) Uiso 1 1 d . . .
C57 C 0.7081(10) -0.3105(5) 0.4529(2) 0.024(2) Uani 1 1 d . . .
H57 H 0.5990 -0.3008 0.4601 0.029 Uiso 1 1 calc R . .
C58 C 0.7664(10) -0.3850(6) 0.4612(2) 0.022(2) Uani 1 1 d . . .
H58 H 0.6951 -0.4271 0.4736 0.026 Uiso 1 1 calc R . .
C59 C 1.0245(10) -0.3398(6) 0.4351(2) 0.025(2) Uani 1 1 d . . .
H59 H 1.1376 -0.3481 0.4298 0.030 Uiso 1 1 calc R . .
C60 C 0.9663(10) -0.2666(6) 0.4254(2) 0.027(2) Uani 1 1 d . . .
H60 H 1.0380 -0.2265 0.4122 0.032 Uiso 1 1 calc R . .
O1A O 0.1674(8) 0.4319(5) 0.0316(2) 0.049(2) Uani 1 1 d . . .
O2A O 0.1708(7) 0.2993(4) 0.01224(17) 0.0372(17) Uani 1 1 d . . .
O3A O 0.1877(8) 0.4033(5) -0.0234(2) 0.046(2) Uani 1 1 d . . .
O4A O 0.6631(7) 0.3003(4) 0.51018(17) 0.0342(17) Uani 1 1 d . . .
O5A O 0.6878(8) 0.4030(4) 0.47338(17) 0.0374(17) Uani 1 1 d . . .
O6A O 0.6605(8) 0.4336(4) 0.52727(19) 0.0405(18) Uani 1 1 d . . .
O7A O 0.2359(11) 0.4325(9) 0.2436(2) 0.123(5) Uani 1 1 d . . .
O8A O 0.3585(15) 0.5673(9) 0.2464(2) 0.107(4) Uani 1 1 d . . .
O9A O 0.5034(10) 0.4682(5) 0.2349(2) 0.059(2) Uani 1 1 d . . .
N1A N 0.1752(9) 0.3789(6) 0.0071(3) 0.041(2) Uani 1 1 d . . .
N2A N 0.6726(9) 0.3768(6) 0.5034(2) 0.0312(19) Uani 1 1 d . . .
N3A N 0.3696(12) 0.4882(9) 0.2413(2) 0.057(3) Uani 1 1 d . . .
Br1 Br 0.14602(13) 0.47060(8) 0.38074(3) 0.0486(3) Uani 1 1 d . . .
C1S C 0.3796(12) 0.4938(7) 0.3665(2) 0.036(2) Uani 1 1 d . . .
C2S C 0.5133(12) 0.4971(6) 0.3899(3) 0.037(2) Uani 1 1 d . . .
H2S H 0.4920 0.4865 0.4130 0.044 Uiso 1 1 calc R . .
C3S C 0.6817(13) 0.5163(7) 0.3796(3) 0.040(3) Uani 1 1 d . . .
H3S H 0.7775 0.5189 0.3955 0.048 Uiso 1 1 calc R . .
C4S C 0.7080(12) 0.5313(7) 0.3461(3) 0.041(3) Uani 1 1 d . . .
H4S H 0.8229 0.5455 0.3389 0.050 Uiso 1 1 calc R . .
C5S C 0.5702(13) 0.5260(7) 0.3229(3) 0.042(3) Uani 1 1 d . . .
H5S H 0.5915 0.5342 0.2997 0.050 Uiso 1 1 calc R . .
C6S C 0.4017(12) 0.5090(7) 0.3325(3) 0.044(3) Uani 1 1 d . . .
H6S H 0.3059 0.5077 0.3167 0.053 Uiso 1 1 calc R . .
Br2 Br 1.16882(16) 0.66944(9) 0.30707(3) 0.0630(4) Uani 1 1 d . . .
C7S C 0.9984(15) 0.7394(8) 0.3141(3) 0.051(3) Uani 1 1 d . . .
C8S C 1.0348(17) 0.8141(8) 0.3368(3) 0.052(3) Uani 1 1 d . . .
H8S H 1.1457 0.8310 0.3483 0.062 Uiso 1 1 calc R . .
C9S C 0.905(2) 0.8602(8) 0.3416(3) 0.066(4) Uani 1 1 d . . .
H9S H 0.9252 0.9104 0.3566 0.079 Uiso 1 1 calc R . .
C10S C 0.7398(18) 0.8339(9) 0.3242(3) 0.063(4) Uani 1 1 d . . .
H10S H 0.6532 0.8680 0.3287 0.076 Uiso 1 1 calc R . .
C11S C 0.694(2) 0.7624(8) 0.3012(3) 0.073(5) Uani 1 1 d . . .
H11S H 0.5832 0.7467 0.2896 0.088 Uiso 1 1 calc R . .
C12S C 0.8320(17) 0.7168(9) 0.2976(3) 0.062(4) Uani 1 1 d . . .
H12S H 0.8117 0.6662 0.2828 0.075 Uiso 1 1 calc R . .
Br3 Br 0.91374(17) 0.21682(16) 0.21147(5) 0.1162(8) Uani 1 1 d . . .
C13S C 0.6907(12) 0.2050(8) 0.1895(3) 0.046(3) Uani 1 1 d . . .
C14S C 0.5797(15) 0.2585(9) 0.1986(3) 0.062(4) Uani 1 1 d . . .
H14S H 0.6187 0.3057 0.2145 0.075 Uiso 1 1 calc R . .
C15S C 0.4060(15) 0.2452(10) 0.1846(3) 0.066(4) Uani 1 1 d . . .
H15S H 0.3268 0.2822 0.1907 0.079 Uiso 1 1 calc R . .
C16S C 0.3596(16) 0.1745(10) 0.1617(4) 0.066(4) Uani 1 1 d . . .
H16S H 0.2440 0.1622 0.1521 0.079 Uiso 1 1 calc R . .
C17S C 0.4728(17) 0.1225(8) 0.1523(3) 0.055(4) Uani 1 1 d . . .
H17S H 0.4365 0.0763 0.1358 0.066 Uiso 1 1 calc R . .
C18S C 0.6393(15) 0.1358(7) 0.1665(3) 0.049(3) Uani 1 1 d . . .
H18S H 0.7173 0.0980 0.1605 0.059 Uiso 1 1 calc R . .
Br4 Br 0.3766(2) 0.54900(16) 0.12349(5) 0.0721(8) Uani 0.690(3) 1 d P A 1
C19S C 0.1533(4) 0.5035(4) 0.13577(14) 0.0511(15) Uiso 0.690(3) 1 d PG A 1
C20S C 0.1282(5) 0.4579(5) 0.16532(15) 0.0511(15) Uiso 0.690(3) 1 d PG A 1
H20S H 0.2252 0.4493 0.1794 0.061 Uiso 0.690(3) 1 calc PR A 1
C21S C -0.0389(5) 0.4247(8) 0.1743(2) 0.0511(15) Uiso 0.690(3) 1 d PG A 1
H21S H -0.0560 0.3935 0.1945 0.061 Uiso 0.690(3) 1 calc PR A 1
C22S C -0.1808(4) 0.4372(7) 0.1537(3) 0.0511(15) Uiso 0.690(3) 1 d PG A 1
H22S H -0.2950 0.4146 0.1598 0.061 Uiso 0.690(3) 1 calc PR A 1
C23S C -0.1557(5) 0.4828(8) 0.1242(2) 0.0511(15) Uiso 0.690(3) 1 d PG A 1
H23S H -0.2527 0.4914 0.1101 0.061 Uiso 0.690(3) 1 calc PR A 1
C24S C 0.0114(6) 0.5160(8) 0.1152(2) 0.0511(15) Uiso 0.690(3) 1 d PG A 1
H24S H 0.0285 0.5472 0.0950 0.061 Uiso 0.690(3) 1 calc PR A 1
Br4' Br 0.4217(4) 0.5042(3) 0.15191(10) 0.0589(16) Uani 0.310(3) 1 d PG A 2
C19' C 0.180(2) 0.4934(18) 0.1405(6) 0.0511(15) Uiso 0.310(3) 1 d PG A 2
C20' C 0.067(3) 0.4609(18) 0.1650(5) 0.0511(15) Uiso 0.310(3) 1 d PG A 2
H20' H 0.1120 0.4458 0.1863 0.061 Uiso 0.310(3) 1 calc PR A 2
C21' C -0.111(2) 0.4504(19) 0.1581(5) 0.0511(15) Uiso 0.310(3) 1 d PG A 2
H21' H -0.1879 0.4282 0.1748 0.061 Uiso 0.310(3) 1 calc PR A 2
C22' C -0.176(2) 0.473(2) 0.1268(6) 0.0511(15) Uiso 0.310(3) 1 d PG A 2
H22' H -0.2979 0.4654 0.1222 0.061 Uiso 0.310(3) 1 calc PR A 2
C23' C -0.063(3) 0.5051(19) 0.1024(5) 0.0511(15) Uiso 0.310(3) 1 d PG A 2
H23' H -0.1080 0.5201 0.0810 0.061 Uiso 0.310(3) 1 calc PR A 2
C24' C 0.115(2) 0.5155(18) 0.1092(5) 0.0511(15) Uiso 0.310(3) 1 d PG A 2
H24' H 0.1919 0.5377 0.0925 0.061 Uiso 0.310(3) 1 calc PR A 2
Br5 Br 0.2242(2) 1.14003(13) 0.27502(5) 0.0572(7) Uani 0.682(3) 1 d P B 3
C25S C 0.3028(13) 1.0430(5) 0.2634(3) 0.0596(19) Uiso 0.682(3) 1 d PG B 3
C26S C 0.3914(15) 1.0384(4) 0.2340(3) 0.0596(19) Uiso 0.682(3) 1 d PG B 3
H26S H 0.4141 1.0879 0.2204 0.072 Uiso 0.682(3) 1 calc PR B 3
C27S C 0.4468(11) 0.9612(4) 0.22449(18) 0.0596(19) Uiso 0.682(3) 1 d PG B 3
H27S H 0.5074 0.9580 0.2044 0.072 Uiso 0.682(3) 1 calc PR B 3
C28S C 0.4136(6) 0.8887(3) 0.24442(11) 0.0596(19) Uiso 0.682(3) 1 d PG B 3
H28S H 0.4515 0.8359 0.2379 0.072 Uiso 0.682(3) 1 calc PR B 3
C29S C 0.3250(12) 0.8933(5) 0.27384(17) 0.0596(19) Uiso 0.682(3) 1 d PG B 3
H29S H 0.3023 0.8438 0.2875 0.072 Uiso 0.682(3) 1 calc PR B 3
C30S C 0.2696(14) 0.9705(6) 0.2833(2) 0.0596(19) Uiso 0.682(3) 1 d PG B 3
H30S H 0.2090 0.9737 0.3035 0.072 Uiso 0.682(3) 1 calc PR B 3
Br5' Br 0.4796(5) 0.8331(4) 0.22656(11) 0.092(2) Uani 0.318(3) 1 d PG B 4
C25' C 0.393(3) 0.9301(15) 0.2463(6) 0.0596(19) Uiso 0.318(3) 1 d PG B 4
C26' C 0.347(3) 0.9249(14) 0.2799(6) 0.0596(19) Uiso 0.318(3) 1 d PG B 4
H26' H 0.3580 0.8741 0.2920 0.072 Uiso 0.318(3) 1 calc PR B 4
C27' C 0.287(3) 0.9941(17) 0.2957(5) 0.0596(19) Uiso 0.318(3) 1 d PG B 4
H27' H 0.2560 0.9905 0.3186 0.072 Uiso 0.318(3) 1 calc PR B 4
C28' C 0.271(3) 1.0685(15) 0.2780(6) 0.0596(19) Uiso 0.318(3) 1 d PG B 4
H28' H 0.2299 1.1158 0.2888 0.072 Uiso 0.318(3) 1 calc PR B 4
C29' C 0.316(3) 1.0737(14) 0.2444(6) 0.0596(19) Uiso 0.318(3) 1 d PG B 4
H29' H 0.3059 1.1245 0.2323 0.072 Uiso 0.318(3) 1 calc PR B 4
C30' C 0.377(3) 1.0045(17) 0.2286(5) 0.0596(19) Uiso 0.318(3) 1 d PG B 4
H30' H 0.4079 1.0081 0.2057 0.072 Uiso 0.318(3) 1 calc PR B 4
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'
Br Br -0.2901 2.4595 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N1 Ag1 N5 157.9(3) . . ?
N3 Ag2 N2 168.6(3) 1_465 . ?
N3 Ag2 O3A 93.5(2) 1_465 2_675 ?
N2 Ag2 O3A 92.4(2) . 2_675 ?
N3 Ag2 Ag2 100.57(19) 1_465 2_685 ?
N2 Ag2 Ag2 90.2(2) . 2_685 ?
O3A Ag2 Ag2 78.59(18) 2_675 2_685 ?
N4 Ag3 N6 168.4(3) . 1_465 ?
N4 Ag3 O5A 93.0(2) . 1_455 ?
N6 Ag3 O5A 91.4(2) 1_465 1_455 ?
N4 Ag3 Ag3 104.48(19) . 2_566 ?
N6 Ag3 Ag3 86.8(2) 1_465 2_566 ?
O5A Ag3 Ag3 80.47(16) 1_455 2_566 ?
O4 Fe1 O5 98.3(3) . . ?
O4 Fe1 O1 91.5(3) . . ?
O5 Fe1 O1 165.7(3) . . ?
O4 Fe1 O2 172.5(3) . . ?
O5 Fe1 O2 87.4(3) . . ?
O1 Fe1 O2 83.8(3) . . ?
O4 Fe1 O3 84.7(2) . . ?
O5 Fe1 O3 90.5(3) . . ?
O1 Fe1 O3 100.8(3) . . ?
O2 Fe1 O3 90.5(2) . . ?
O4 Fe1 O6 92.0(2) . . ?
O5 Fe1 O6 83.5(2) . . ?
O1 Fe1 O6 85.8(2) . . ?
O2 Fe1 O6 93.4(2) . . ?
O3 Fe1 O6 172.6(2) . . ?
O12 Fe2 O10 90.4(2) . . ?
O12 Fe2 O8 98.8(2) . . ?
O10 Fe2 O8 170.1(3) . . ?
O12 Fe2 O11 85.1(2) . . ?
O10 Fe2 O11 96.3(2) . . ?
O8 Fe2 O11 88.2(2) . . ?
O12 Fe2 O7 90.6(3) . . ?
O10 Fe2 O7 92.2(2) . . ?
O8 Fe2 O7 84.1(2) . . ?
O11 Fe2 O7 170.5(2) . . ?
O12 Fe2 O9 174.0(2) . . ?
O10 Fe2 O9 84.2(2) . . ?
O8 Fe2 O9 86.8(2) . . ?
O11 Fe2 O9 92.9(2) . . ?
O7 Fe2 O9 92.3(2) . . ?
C2 O1 Fe1 127.5(7) . . ?
C4 O2 Fe1 126.2(6) . . ?
C12 O3 Fe1 132.1(6) . . ?
C14 O4 Fe1 133.3(6) . . ?
C22 O5 Fe1 126.1(6) . . ?
C24 O6 Fe1 123.8(6) . . ?
C32 O7 Fe2 123.5(6) . . ?
C34 O8 Fe2 124.2(5) . . ?
C42 O9 Fe2 129.1(6) . . ?
C44 O10 Fe2 133.2(6) . . ?
C52 O11 Fe2 131.8(5) . . ?
C54 O12 Fe2 133.3(6) . . ?
C9 N1 C8 116.3(8) . . ?
C9 N1 Ag1 123.0(7) . . ?
C8 N1 Ag1 120.6(6) . . ?
C19 N2 C18 117.0(8) . . ?
C19 N2 Ag2 122.3(6) . . ?
C18 N2 Ag2 120.6(6) . . ?
C28 N3 C29 117.1(8) . . ?
C28 N3 Ag2 123.0(6) . 1_645 ?
C29 N3 Ag2 117.5(6) . 1_645 ?
C39 N4 C38 115.9(8) . . ?
C39 N4 Ag3 117.1(6) . . ?
C38 N4 Ag3 125.2(6) . . ?
C48 N5 C49 117.2(8) . . ?
C48 N5 Ag1 120.7(7) . . ?
C49 N5 Ag1 122.1(7) . . ?
C59 N6 C58 118.0(7) . . ?
C59 N6 Ag3 120.9(6) . 1_645 ?
C58 N6 Ag3 121.1(5) . 1_645 ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 123.1(9) . . ?
O1 C2 C1 115.0(9) . . ?
C3 C2 C1 121.8(8) . . ?
C4 C3 C2 121.0(8) . . ?
C4 C3 C6 120.0(9) . . ?
C2 C3 C6 118.9(9) . . ?
O2 C4 C3 125.8(9) . . ?
O2 C4 C5 115.2(8) . . ?
C3 C4 C5 119.0(8) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C10 C6 C7 114.6(9) . . ?
C10 C6 C3 122.8(8) . . ?
C7 C6 C3 122.4(9) . . ?
C8 C7 C6 120.0(10) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
N1 C8 C7 123.4(9) . . ?
N1 C8 H8 118.3 . . ?
C7 C8 H8 118.3 . . ?
N1 C9 C10 123.5(10) . . ?
N1 C9 H9 118.2 . . ?
C10 C9 H9 118.2 . . ?
C9 C10 C6 122.1(10) . . ?
C9 C10 H10 119.0 . . ?
C6 C10 H10 119.0 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O3 C12 C13 123.6(8) . . ?
O3 C12 C11 115.0(8) . . ?
C13 C12 C11 121.4(8) . . ?
C12 C13 C14 120.9(8) . . ?
C12 C13 C16 118.7(7) . . ?
C14 C13 C16 120.4(8) . . ?
O4 C14 C13 124.5(8) . . ?
O4 C14 C15 116.3(8) . . ?
C13 C14 C15 119.2(9) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C20 113.9(8) . . ?
C17 C16 C13 121.7(8) . . ?
C20 C16 C13 124.3(7) . . ?
C18 C17 C16 121.7(9) . . ?
C18 C17 H17 119.2 . . ?
C16 C17 H17 119.2 . . ?
N2 C18 C17 121.9(8) . . ?
N2 C18 H18 119.0 . . ?
C17 C18 H18 119.0 . . ?
N2 C19 C20 123.9(9) . . ?
N2 C19 H19 118.1 . . ?
C20 C19 H19 118.1 . . ?
C19 C20 C16 121.5(8) . . ?
C19 C20 H20 119.3 . . ?
C16 C20 H20 119.3 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O5 C22 C23 123.8(9) . . ?
O5 C22 C21 117.2(8) . . ?
C23 C22 C21 118.8(9) . . ?
C24 C23 C22 120.1(9) . . ?
C24 C23 C26 121.5(8) . . ?
C22 C23 C26 118.4(8) . . ?
O6 C24 C23 125.5(8) . . ?
O6 C24 C25 115.1(9) . . ?
C23 C24 C25 119.4(9) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C30 C26 C27 115.1(9) . . ?
C30 C26 C23 119.6(8) . . ?
C27 C26 C23 125.2(8) . . ?
C28 C27 C26 120.2(8) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
N3 C28 C27 123.6(8) . . ?
N3 C28 H28 118.2 . . ?
C27 C28 H28 118.2 . . ?
N3 C29 C30 122.1(8) . . ?
N3 C29 H29 118.9 . . ?
C30 C29 H29 118.9 . . ?
C29 C30 C26 121.7(9) . . ?
C29 C30 H30 119.1 . . ?
C26 C30 H30 119.1 . . ?
C32 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C32 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O7 C32 C33 124.9(8) . . ?
O7 C32 C31 115.6(8) . . ?
C33 C32 C31 119.5(9) . . ?
C32 C33 C34 120.3(9) . . ?
C32 C33 C36 121.2(7) . . ?
C34 C33 C36 118.5(8) . . ?
O8 C34 C33 123.8(9) . . ?
O8 C34 C35 116.8(8) . . ?
C33 C34 C35 119.2(9) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C40 C36 C37 116.6(9) . . ?
C40 C36 C33 118.5(7) . . ?
C37 C36 C33 124.8(8) . . ?
C38 C37 C36 120.5(8) . . ?
C38 C37 H37 119.7 . . ?
C36 C37 H37 119.7 . . ?
C37 C38 N4 123.2(8) . . ?
C37 C38 H38 118.4 . . ?
N4 C38 H38 118.4 . . ?
N4 C39 C40 124.1(8) . . ?
N4 C39 H39 118.0 . . ?
C40 C39 H39 118.0 . . ?
C39 C40 C36 119.6(8) . . ?
C39 C40 H40 120.2 . . ?
C36 C40 H40 120.2 . . ?
C42 C41 H41A 109.5 . . ?
C42 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C42 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O9 C42 C43 125.4(9) . . ?
O9 C42 C41 114.6(8) . . ?
C43 C42 C41 119.9(7) . . ?
C42 C43 C44 123.3(8) . . ?
C42 C43 C46 118.3(8) . . ?
C44 C43 C46 118.3(8) . . ?
O10 C44 C43 121.5(8) . . ?
O10 C44 C45 115.6(9) . . ?
C43 C44 C45 122.9(8) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 C50 116.2(8) . . ?
C47 C46 C43 121.3(8) . . ?
C50 C46 C43 122.5(8) . . ?
C46 C47 C48 120.3(9) . . ?
C46 C47 H47 119.9 . . ?
C48 C47 H47 119.9 . . ?
N5 C48 C47 122.7(9) . . ?
N5 C48 H48 118.7 . . ?
C47 C48 H48 118.7 . . ?
N5 C49 C50 123.9(10) . . ?
N5 C49 H49 118.1 . . ?
C50 C49 H49 118.1 . . ?
C49 C50 C46 119.7(9) . . ?
C49 C50 H50 120.1 . . ?
C46 C50 H50 120.1 . . ?
C52 C51 H51A 109.5 . . ?
C52 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C52 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O11 C52 C53 124.4(7) . . ?
O11 C52 C51 114.7(8) . . ?
C53 C52 C51 120.9(8) . . ?
C52 C53 C54 121.4(8) . . ?
C52 C53 C56 120.6(7) . . ?
C54 C53 C56 118.0(7) . . ?
O12 C54 C53 122.8(8) . . ?
O12 C54 C55 116.0(8) . . ?
C53 C54 C55 121.1(8) . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C60 C56 C57 114.9(8) . . ?
C60 C56 C53 122.7(7) . . ?
C57 C56 C53 122.4(7) . . ?
C58 C57 C56 121.0(8) . . ?
C58 C57 H57 119.5 . . ?
C56 C57 H57 119.5 . . ?
C57 C58 N6 122.2(7) . . ?
C57 C58 H58 118.9 . . ?
N6 C58 H58 118.9 . . ?
C60 C59 N6 120.8(8) . . ?
C60 C59 H59 119.6 . . ?
N6 C59 H59 119.6 . . ?
C59 C60 C56 123.1(8) . . ?
C59 C60 H60 118.5 . . ?
C56 C60 H60 118.5 . . ?
N1A O3A Ag2 114.6(5) . 2_675 ?
N2A O5A Ag3 112.3(5) . 1_655 ?
O2A N1A O1A 120.0(9) . . ?
O2A N1A O3A 117.7(10) . . ?
O1A N1A O3A 122.3(9) . . ?
O4A N2A O5A 122.7(9) . . ?
O4A N2A O6A 119.1(8) . . ?
O5A N2A O6A 118.2(8) . . ?
O9A N3A O7A 121.8(14) . . ?
O9A N3A O8A 120.3(11) . . ?
O7A N3A O8A 117.8(13) . . ?
C2S C1S C6S 123.4(9) . . ?
C2S C1S Br1 119.3(7) . . ?
C6S C1S Br1 117.2(7) . . ?
C1S C2S C3S 119.0(9) . . ?
C1S C2S H2S 120.5 . . ?
C3S C2S H2S 120.5 . . ?
C4S C3S C2S 119.1(9) . . ?
C4S C3S H3S 120.5 . . ?
C2S C3S H3S 120.5 . . ?
C3S C4S C5S 120.7(9) . . ?
C3S C4S H4S 119.7 . . ?
C5S C4S H4S 119.7 . . ?
C4S C5S C6S 121.5(9) . . ?
C4S C5S H5S 119.2 . . ?
C6S C5S H5S 119.2 . . ?
C5S C6S C1S 116.3(9) . . ?
C5S C6S H6S 121.9 . . ?
C1S C6S H6S 121.9 . . ?
C12S C7S C8S 119.3(12) . . ?
C12S C7S Br2 120.4(10) . . ?
C8S C7S Br2 120.3(10) . . ?
C9S C8S C7S 117.5(12) . . ?
C9S C8S H8S 121.2 . . ?
C7S C8S H8S 121.2 . . ?
C8S C9S C10S 120.5(13) . . ?
C8S C9S H9S 119.8 . . ?
C10S C9S H9S 119.8 . . ?
C11S C10S C9S 125.8(13) . . ?
C11S C10S H10S 117.1 . . ?
C9S C10S H10S 117.1 . . ?
C10S C11S C12S 111.1(15) . . ?
C10S C11S H11S 124.4 . . ?
C12S C11S H11S 124.4 . . ?
C11S C12S C7S 125.8(14) . . ?
C11S C12S H12S 117.1 . . ?
C7S C12S H12S 117.1 . . ?
C14S C13S C18S 121.2(10) . . ?
C14S C13S Br3 120.4(9) . . ?
C18S C13S Br3 118.1(9) . . ?
C13S C14S C15S 121.1(13) . . ?
C13S C14S H14S 119.4 . . ?
C15S C14S H14S 119.4 . . ?
C16S C15S C14S 115.7(13) . . ?
C16S C15S H15S 122.2 . . ?
C14S C15S H15S 122.2 . . ?
C17S C16S C15S 122.6(12) . . ?
C17S C16S H16S 118.7 . . ?
C15S C16S H16S 118.7 . . ?
C16S C17S C18S 120.7(13) . . ?
C16S C17S H17S 119.7 . . ?
C18S C17S H17S 119.7 . . ?
C17S C18S C13S 118.6(12) . . ?
C17S C18S H18S 120.7 . . ?
C13S C18S H18S 120.7 . . ?
C20S C19S C24S 120.0 . . ?
C20S C19S Br4 120.56(14) . . ?
C24S C19S Br4 119.44(14) . . ?
C19S C20S C21S 120.0 . . ?
C19S C20S H20S 120.0 . . ?
C21S C20S H20S 120.0 . . ?
C22S C21S C20S 120.0 . . ?
C22S C21S H21S 120.0 . . ?
C20S C21S H21S 120.0 . . ?
C23S C22S C21S 120.0 . . ?
C23S C22S H22S 120.0 . . ?
C21S C22S H22S 120.0 . . ?
C22S C23S C24S 120.0 . . ?
C22S C23S H23S 120.0 . . ?
C24S C23S H23S 120.0 . . ?
C23S C24S C19S 120.0 . . ?
C23S C24S H24S 120.0 . . ?
C19S C24S H24S 120.0 . . ?
C20' C19' C24' 120.0 . . ?
C20' C19' Br4' 117.1(12) . . ?
C24' C19' Br4' 122.9(12) . . ?
C19' C20' C21' 120.0 . . ?
C19' C20' H20' 120.0 . . ?
C21' C20' H20' 120.0 . . ?
C22' C21' C20' 120.0 . . ?
C22' C21' H21' 120.0 . . ?
C20' C21' H21' 120.0 . . ?
C21' C22' C23' 120.0 . . ?
C21' C22' H22' 120.0 . . ?
C23' C22' H22' 120.0 . . ?
C24' C23' C22' 120.0 . . ?
C24' C23' H23' 120.0 . . ?
C22' C23' H23' 120.0 . . ?
C23' C24' C19' 120.0 . . ?
C23' C24' H24' 120.0 . . ?
C19' C24' H24' 120.0 . . ?
C26S C25S C30S 120.0 . . ?
C26S C25S Br5 120.4(5) . . ?
C30S C25S Br5 119.5(5) . . ?
C27S C26S C25S 120.0 . . ?
C27S C26S H26S 120.0 . . ?
C25S C26S H26S 120.0 . . ?
C26S C27S C28S 120.0 . . ?
C26S C27S H27S 120.0 . . ?
C28S C27S H27S 120.0 . . ?
C29S C28S C27S 120.0 . . ?
C29S C28S H28S 120.0 . . ?
C27S C28S H28S 120.0 . . ?
C28S C29S C30S 120.0 . . ?
C28S C29S H29S 120.0 . . ?
C30S C29S H29S 120.0 . . ?
C29S C30S C25S 120.0 . . ?
C29S C30S H30S 120.0 . . ?
C25S C30S H30S 120.0 . . ?
C26' C25' C30' 120.0 . . ?
C26' C25' Br5' 117.6(14) . . ?
C30' C25' Br5' 122.4(14) . . ?
C25' C26' C27' 120.0 . . ?
C25' C26' H26' 120.0 . . ?
C27' C26' H26' 120.0 . . ?
C28' C27' C26' 120.0 . . ?
C28' C27' H27' 120.0 . . ?
C26' C27' H27' 120.0 . . ?
C29' C28' C27' 120.0 . . ?
C29' C28' H28' 120.0 . . ?
C27' C28' H28' 120.0 . . ?
C30' C29' C28' 120.0 . . ?
C30' C29' H29' 120.0 . . ?
C28' C29' H29' 120.0 . . ?
C29' C30' C25' 120.0 . . ?
C29' C30' H30' 120.0 . . ?
C25' C30' H30' 120.0 . . ?
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 N1 2.173(8) . ?
Ag1 N5 2.188(8) . ?
Ag2 N3 2.133(8) 1_465 ?
Ag2 N2 2.144(8) . ?
Ag2 O3A 2.592(6) 2_675 ?
Ag2 Ag2 3.0947(17) 2_685 ?
Ag3 N4 2.160(7) . ?
Ag3 N6 2.171(7) 1_465 ?
Ag3 O5A 2.596(6) 1_455 ?
Ag3 Ag3 3.0379(17) 2_566 ?
Fe1 O4 1.967(6) . ?
Fe1 O5 2.000(6) . ?
Fe1 O1 2.000(6) . ?
Fe1 O2 2.000(6) . ?
Fe1 O3 2.005(6) . ?
Fe1 O6 2.024(6) . ?
Fe2 O12 1.967(7) . ?
Fe2 O10 1.989(6) . ?
Fe2 O8 1.995(6) . ?
Fe2 O11 1.998(6) . ?
Fe2 O7 2.003(6) . ?
Fe2 O9 2.017(6) . ?
O1 C2 1.281(10) . ?
O2 C4 1.272(10) . ?
O3 C12 1.260(10) . ?
O4 C14 1.247(10) . ?
O5 C22 1.246(11) . ?
O6 C24 1.257(11) . ?
O7 C32 1.260(11) . ?
O8 C34 1.263(11) . ?
O9 C42 1.272(9) . ?
O10 C44 1.294(10) . ?
O11 C52 1.264(10) . ?
O12 C54 1.276(10) . ?
N1 C9 1.321(11) . ?
N1 C8 1.347(13) . ?
N2 C19 1.333(10) . ?
N2 C18 1.338(11) . ?
N3 C28 1.343(11) . ?
N3 C29 1.354(11) . ?
N3 Ag2 2.133(8) 1_645 ?
N4 C39 1.347(10) . ?
N4 C38 1.364(11) . ?
N5 C48 1.324(13) . ?
N5 C49 1.333(12) . ?
N6 C59 1.356(10) . ?
N6 C58 1.360(10) . ?
N6 Ag3 2.171(7) 1_645 ?
C1 C2 1.501(13) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.415(14) . ?
C3 C4 1.393(13) . ?
C3 C6 1.491(12) . ?
C4 C5 1.510(13) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C10 1.392(14) . ?
C6 C7 1.397(12) . ?
C7 C8 1.389(13) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.361(13) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.511(11) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.415(12) . ?
C13 C14 1.431(11) . ?
C13 C16 1.476(12) . ?
C14 C15 1.516(12) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.390(11) . ?
C16 C20 1.407(12) . ?
C17 C18 1.388(12) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.347(12) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.498(13) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.441(12) . ?
C23 C24 1.403(13) . ?
C23 C26 1.476(13) . ?
C24 C25 1.538(12) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C30 1.400(12) . ?
C26 C27 1.408(11) . ?
C27 C28 1.368(13) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.364(13) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.528(11) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.420(12) . ?
C33 C34 1.427(11) . ?
C33 C36 1.478(12) . ?
C34 C35 1.485(12) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C40 1.393(12) . ?
C36 C37 1.397(11) . ?
C37 C38 1.351(12) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C40 1.364(13) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C42 1.536(13) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.389(12) . ?
C43 C44 1.399(13) . ?
C43 C46 1.516(12) . ?
C44 C45 1.488(13) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.386(12) . ?
C46 C50 1.393(13) . ?
C47 C48 1.394(13) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C50 1.373(13) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C52 1.515(11) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 C53 1.401(12) . ?
C53 C54 1.448(11) . ?
C53 C56 1.488(12) . ?
C54 C55 1.492(12) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 C60 1.386(12) . ?
C56 C57 1.405(10) . ?
C57 C58 1.360(11) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
C59 C60 1.356(12) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
O1A N1A 1.260(11) . ?
O2A N1A 1.254(10) . ?
O3A N1A 1.279(10) . ?
O3A Ag2 2.592(6) 2_675 ?
O4A N2A 1.218(9) . ?
O5A N2A 1.270(9) . ?
O5A Ag3 2.596(6) 1_655 ?
O6A N2A 1.289(10) . ?
O7A N3A 1.248(12) . ?
O8A N3A 1.256(15) . ?
O9A N3A 1.182(12) . ?
Br1 C1S 1.920(10) . ?
C1S C2S 1.354(13) . ?
C1S C6S 1.387(13) . ?
C2S C3S 1.387(13) . ?
C2S H2S 0.9500 . ?
C3S C4S 1.371(13) . ?
C3S H3S 0.9500 . ?
C4S C5S 1.371(13) . ?
C4S H4S 0.9500 . ?
C5S C6S 1.377(13) . ?
C5S H5S 0.9500 . ?
C6S H6S 0.9500 . ?
Br2 C7S 1.887(11) . ?
C7S C12S 1.412(16) . ?
C7S C8S 1.425(17) . ?
C8S C9S 1.356(17) . ?
C8S H8S 0.9500 . ?
C9S C10S 1.426(18) . ?
C9S H9S 0.9500 . ?
C10S C11S 1.398(19) . ?
C10S H10S 0.9500 . ?
C11S C12S 1.404(17) . ?
C11S H11S 0.9500 . ?
C12S H12S 0.9500 . ?
Br3 C13S 1.891(10) . ?
C13S C14S 1.356(16) . ?
C13S C18S 1.375(16) . ?
C14S C15S 1.422(16) . ?
C14S H14S 0.9500 . ?
C15S C16S 1.387(19) . ?
C15S H15S 0.9500 . ?
C16S C17S 1.356(18) . ?
C16S H16S 0.9500 . ?
C17S C18S 1.374(16) . ?
C17S H17S 0.9500 . ?
C18S H18S 0.9500 . ?
Br4 C19S 1.866(4) . ?
C19S C20S 1.3900 . ?
C19S C24S 1.3900 . ?
C20S C21S 1.3900 . ?
C20S H20S 0.9500 . ?
C21S C22S 1.3900 . ?
C21S H21S 0.9500 . ?
C22S C23S 1.3900 . ?
C22S H22S 0.9500 . ?
C23S C24S 1.3900 . ?
C23S H23S 0.9500 . ?
C24S H24S 0.9500 . ?
Br4' C19' 1.902(15) . ?
C19' C20' 1.3900 . ?
C19' C24' 1.3900 . ?
C20' C21' 1.3900 . ?
C20' H20' 0.9500 . ?
C21' C22' 1.3900 . ?
C21' H21' 0.9500 . ?
C22' C23' 1.3900 . ?
C22' H22' 0.9500 . ?
C23' C24' 1.3900 . ?
C23' H23' 0.9500 . ?
C24' H24' 0.9500 . ?
Br5 C25S 1.778(6) . ?
C25S C26S 1.3900 . ?
C25S C30S 1.3900 . ?
C26S C27S 1.3900 . ?
C26S H26S 0.9500 . ?
C27S C28S 1.3900 . ?
C27S H27S 0.9500 . ?
C28S C29S 1.3900 . ?
C28S H28S 0.9500 . ?
C29S C30S 1.3900 . ?
C29S H29S 0.9500 . ?
C30S H30S 0.9500 . ?
Br5' C25' 1.92(2) . ?
C25' C26' 1.3900 . ?
C25' C30' 1.3900 . ?
C26' C27' 1.3900 . ?
C26' H26' 0.9500 . ?
C27' C28' 1.3900 . ?
C27' H27' 0.9500 . ?
C28' C29' 1.3900 . ?
C28' H28' 0.9500 . ?
C29' C30' 1.3900 . ?
C29' H29' 0.9500 . ?
C30' H30' 0.9500 . ?
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
O4 Fe1 O1 C2 -150.5(7) . . . . ?
O5 Fe1 O1 C2 -17.2(14) . . . . ?
O2 Fe1 O1 C2 35.3(7) . . . . ?
O3 Fe1 O1 C2 124.7(7) . . . . ?
O6 Fe1 O1 C2 -58.6(7) . . . . ?
O4 Fe1 O2 C4 -85(2) . . . . ?
O5 Fe1 O2 C4 134.8(7) . . . . ?
O1 Fe1 O2 C4 -33.9(7) . . . . ?
O3 Fe1 O2 C4 -134.7(7) . . . . ?
O6 Fe1 O2 C4 51.5(7) . . . . ?
O4 Fe1 O3 C12 11.4(8) . . . . ?
O5 Fe1 O3 C12 -86.9(8) . . . . ?
O1 Fe1 O3 C12 101.9(8) . . . . ?
O2 Fe1 O3 C12 -174.3(8) . . . . ?
O6 Fe1 O3 C12 -52(3) . . . . ?
O5 Fe1 O4 C14 85.3(8) . . . . ?
O1 Fe1 O4 C14 -105.1(8) . . . . ?
O2 Fe1 O4 C14 -54(2) . . . . ?
O3 Fe1 O4 C14 -4.4(8) . . . . ?
O6 Fe1 O4 C14 169.0(8) . . . . ?
O4 Fe1 O5 C22 131.0(7) . . . . ?
O1 Fe1 O5 C22 -1.6(14) . . . . ?
O2 Fe1 O5 C22 -53.8(7) . . . . ?
O3 Fe1 O5 C22 -144.3(7) . . . . ?
O6 Fe1 O5 C22 39.9(7) . . . . ?
O4 Fe1 O6 C24 -138.7(7) . . . . ?
O5 Fe1 O6 C24 -40.6(7) . . . . ?
O1 Fe1 O6 C24 130.0(7) . . . . ?
O2 Fe1 O6 C24 46.4(7) . . . . ?
O3 Fe1 O6 C24 -76(2) . . . . ?
O12 Fe2 O7 C32 140.6(6) . . . . ?
O10 Fe2 O7 C32 -128.9(6) . . . . ?
O8 Fe2 O7 C32 41.8(6) . . . . ?
O11 Fe2 O7 C32 77.9(19) . . . . ?
O9 Fe2 O7 C32 -44.7(6) . . . . ?
O12 Fe2 O8 C34 -132.6(6) . . . . ?
O10 Fe2 O8 C34 25.5(17) . . . . ?
O11 Fe2 O8 C34 142.6(7) . . . . ?
O7 Fe2 O8 C34 -43.0(6) . . . . ?
O9 Fe2 O8 C34 49.7(6) . . . . ?
O12 Fe2 O9 C42 46(2) . . . . ?
O10 Fe2 O9 C42 19.9(7) . . . . ?
O8 Fe2 O9 C42 -156.0(7) . . . . ?
O11 Fe2 O9 C42 115.9(7) . . . . ?
O7 Fe2 O9 C42 -72.1(7) . . . . ?
O12 Fe2 O10 C44 167.7(7) . . . . ?
O8 Fe2 O10 C44 9.4(18) . . . . ?
O11 Fe2 O10 C44 -107.2(7) . . . . ?
O7 Fe2 O10 C44 77.1(7) . . . . ?
O9 Fe2 O10 C44 -14.9(7) . . . . ?
O12 Fe2 O11 C52 -11.6(8) . . . . ?
O10 Fe2 O11 C52 -101.5(8) . . . . ?
O8 Fe2 O11 C52 87.4(8) . . . . ?
O7 Fe2 O11 C52 52(2) . . . . ?
O9 Fe2 O11 C52 174.1(8) . . . . ?
O10 Fe2 O12 C54 100.8(8) . . . . ?
O8 Fe2 O12 C54 -82.9(8) . . . . ?
O11 Fe2 O12 C54 4.6(8) . . . . ?
O7 Fe2 O12 C54 -167.0(8) . . . . ?
O9 Fe2 O12 C54 75(2) . . . . ?
N5 Ag1 N1 C9 169.2(9) . . . . ?
N5 Ag1 N1 C8 -13.4(14) . . . . ?
N3 Ag2 N2 C19 40.1(17) 1_465 . . . ?
O3A Ag2 N2 C19 161.6(7) 2_675 . . . ?
Ag2 Ag2 N2 C19 -119.8(7) 2_685 . . . ?
N3 Ag2 N2 C18 -137.9(12) 1_465 . . . ?
O3A Ag2 N2 C18 -16.4(7) 2_675 . . . ?
Ag2 Ag2 N2 C18 62.2(7) 2_685 . . . ?
N6 Ag3 N4 C39 67.6(15) 1_465 . . . ?
O5A Ag3 N4 C39 179.8(6) 1_455 . . . ?
Ag3 Ag3 N4 C39 -99.2(6) 2_566 . . . ?
N6 Ag3 N4 C38 -96.5(14) 1_465 . . . ?
O5A Ag3 N4 C38 15.7(7) 1_455 . . . ?
Ag3 Ag3 N4 C38 96.7(7) 2_566 . . . ?
N1 Ag1 N5 C48 -169.5(8) . . . . ?
N1 Ag1 N5 C49 8.7(14) . . . . ?
Fe1 O1 C2 C3 -22.5(12) . . . . ?
Fe1 O1 C2 C1 154.3(6) . . . . ?
O1 C2 C3 C4 -6.8(14) . . . . ?
C1 C2 C3 C4 176.5(8) . . . . ?
O1 C2 C3 C6 177.7(8) . . . . ?
C1 C2 C3 C6 1.1(13) . . . . ?
Fe1 O2 C4 C3 20.5(13) . . . . ?
Fe1 O2 C4 C5 -160.2(6) . . . . ?
C2 C3 C4 O2 7.7(15) . . . . ?
C6 C3 C4 O2 -176.9(8) . . . . ?
C2 C3 C4 C5 -171.5(9) . . . . ?
C6 C3 C4 C5 3.9(13) . . . . ?
C4 C3 C6 C10 101.1(12) . . . . ?
C2 C3 C6 C10 -83.4(14) . . . . ?
C4 C3 C6 C7 -72.9(14) . . . . ?
C2 C3 C6 C7 102.6(12) . . . . ?
C10 C6 C7 C8 0.0(16) . . . . ?
C3 C6 C7 C8 174.5(11) . . . . ?
C9 N1 C8 C7 1.4(17) . . . . ?
Ag1 N1 C8 C7 -176.2(9) . . . . ?
C6 C7 C8 N1 -0.8(18) . . . . ?
C8 N1 C9 C10 -1.2(17) . . . . ?
Ag1 N1 C9 C10 176.3(9) . . . . ?
N1 C9 C10 C6 0(2) . . . . ?
C7 C6 C10 C9 0.2(17) . . . . ?
C3 C6 C10 C9 -174.3(11) . . . . ?
Fe1 O3 C12 C13 -13.0(14) . . . . ?
Fe1 O3 C12 C11 166.7(6) . . . . ?
O3 C12 C13 C14 4.3(14) . . . . ?
C11 C12 C13 C14 -175.5(9) . . . . ?
O3 C12 C13 C16 -176.2(8) . . . . ?
C11 C12 C13 C16 4.0(13) . . . . ?
Fe1 O4 C14 C13 -0.6(14) . . . . ?
Fe1 O4 C14 C15 178.6(6) . . . . ?
C12 C13 C14 O4 2.5(14) . . . . ?
C16 C13 C14 O4 -177.0(8) . . . . ?
C12 C13 C14 C15 -176.7(9) . . . . ?
C16 C13 C14 C15 3.8(13) . . . . ?
C12 C13 C16 C17 -125.1(10) . . . . ?
C14 C13 C16 C17 54.4(13) . . . . ?
C12 C13 C16 C20 59.6(13) . . . . ?
C14 C13 C16 C20 -120.9(10) . . . . ?
C20 C16 C17 C18 0.6(13) . . . . ?
C13 C16 C17 C18 -175.2(9) . . . . ?
C19 N2 C18 C17 1.9(14) . . . . ?
Ag2 N2 C18 C17 180.0(7) . . . . ?
C16 C17 C18 N2 -2.9(15) . . . . ?
C18 N2 C19 C20 1.4(14) . . . . ?
Ag2 N2 C19 C20 -176.6(8) . . . . ?
N2 C19 C20 C16 -3.8(16) . . . . ?
C17 C16 C20 C19 2.6(14) . . . . ?
C13 C16 C20 C19 178.2(9) . . . . ?
Fe1 O5 C22 C23 -24.1(12) . . . . ?
Fe1 O5 C22 C21 160.5(6) . . . . ?
O5 C22 C23 C24 -8.1(13) . . . . ?
C21 C22 C23 C24 167.2(8) . . . . ?
O5 C22 C23 C26 171.0(8) . . . . ?
C21 C22 C23 C26 -13.8(11) . . . . ?
Fe1 O6 C24 C23 26.6(12) . . . . ?
Fe1 O6 C24 C25 -155.0(5) . . . . ?
C22 C23 C24 O6 6.2(13) . . . . ?
C26 C23 C24 O6 -172.8(8) . . . . ?
C22 C23 C24 C25 -172.1(7) . . . . ?
C26 C23 C24 C25 8.9(12) . . . . ?
C24 C23 C26 C30 106.2(10) . . . . ?
C22 C23 C26 C30 -72.8(10) . . . . ?
C24 C23 C26 C27 -69.4(11) . . . . ?
C22 C23 C26 C27 111.5(9) . . . . ?
C30 C26 C27 C28 -2.9(12) . . . . ?
C23 C26 C27 C28 172.9(8) . . . . ?
C29 N3 C28 C27 2.2(12) . . . . ?
Ag2 N3 C28 C27 -160.0(6) 1_645 . . . ?
C26 C27 C28 N3 -0.5(13) . . . . ?
C28 N3 C29 C30 -0.4(13) . . . . ?
Ag2 N3 C29 C30 162.8(7) 1_645 . . . ?
N3 C29 C30 C26 -3.2(14) . . . . ?
C27 C26 C30 C29 4.7(13) . . . . ?
C23 C26 C30 C29 -171.4(8) . . . . ?
Fe2 O7 C32 C33 -25.2(11) . . . . ?
Fe2 O7 C32 C31 155.2(5) . . . . ?
O7 C32 C33 C34 -8.6(12) . . . . ?
C31 C32 C33 C34 170.9(7) . . . . ?
O7 C32 C33 C36 169.9(7) . . . . ?
C31 C32 C33 C36 -10.5(12) . . . . ?
Fe2 O8 C34 C33 26.9(11) . . . . ?
Fe2 O8 C34 C35 -158.6(5) . . . . ?
C32 C33 C34 O8 7.9(12) . . . . ?
C36 C33 C34 O8 -170.7(7) . . . . ?
C32 C33 C34 C35 -166.5(8) . . . . ?
C36 C33 C34 C35 14.9(11) . . . . ?
C32 C33 C36 C40 -106.0(9) . . . . ?
C34 C33 C36 C40 72.6(10) . . . . ?
C32 C33 C36 C37 72.3(11) . . . . ?
C34 C33 C36 C37 -109.1(9) . . . . ?
C40 C36 C37 C38 3.5(12) . . . . ?
C33 C36 C37 C38 -174.9(8) . . . . ?
C36 C37 C38 N4 -0.8(13) . . . . ?
C39 N4 C38 C37 -0.9(12) . . . . ?
Ag3 N4 C38 C37 163.4(7) . . . . ?
C38 N4 C39 C40 -0.2(12) . . . . ?
Ag3 N4 C39 C40 -165.8(7) . . . . ?
N4 C39 C40 C36 3.0(13) . . . . ?
C37 C36 C40 C39 -4.5(12) . . . . ?
C33 C36 C40 C39 174.0(8) . . . . ?
Fe2 O9 C42 C43 -17.5(12) . . . . ?
Fe2 O9 C42 C41 165.6(5) . . . . ?
O9 C42 C43 C44 1.1(14) . . . . ?
C41 C42 C43 C44 177.8(8) . . . . ?
O9 C42 C43 C46 -174.6(7) . . . . ?
C41 C42 C43 C46 2.1(12) . . . . ?
Fe2 O10 C44 C43 6.5(12) . . . . ?
Fe2 O10 C44 C45 -174.6(6) . . . . ?
C42 C43 C44 O10 4.8(13) . . . . ?
C46 C43 C44 O10 -179.5(7) . . . . ?
C42 C43 C44 C45 -174.0(8) . . . . ?
C46 C43 C44 C45 1.6(13) . . . . ?
C42 C43 C46 C47 89.5(12) . . . . ?
C44 C43 C46 C47 -86.4(12) . . . . ?
C42 C43 C46 C50 -87.5(12) . . . . ?
C44 C43 C46 C50 96.7(12) . . . . ?
C50 C46 C47 C48 0.7(16) . . . . ?
C43 C46 C47 C48 -176.4(10) . . . . ?
C49 N5 C48 C47 -2.0(16) . . . . ?
Ag1 N5 C48 C47 176.3(8) . . . . ?
C46 C47 C48 N5 1.9(17) . . . . ?
C48 N5 C49 C50 -0.7(17) . . . . ?
Ag1 N5 C49 C50 -178.9(9) . . . . ?
N5 C49 C50 C46 3.3(18) . . . . ?
C47 C46 C50 C49 -3.2(16) . . . . ?
C43 C46 C50 C49 173.9(10) . . . . ?
Fe2 O11 C52 C53 12.8(13) . . . . ?
Fe2 O11 C52 C51 -167.4(6) . . . . ?
O11 C52 C53 C54 -3.3(14) . . . . ?
C51 C52 C53 C54 176.9(8) . . . . ?
O11 C52 C53 C56 176.8(8) . . . . ?
C51 C52 C53 C56 -3.0(13) . . . . ?
Fe2 O12 C54 C53 1.0(13) . . . . ?
Fe2 O12 C54 C55 -177.3(6) . . . . ?
C52 C53 C54 O12 -3.6(13) . . . . ?
C56 C53 C54 O12 176.4(8) . . . . ?
C52 C53 C54 C55 174.6(8) . . . . ?
C56 C53 C54 C55 -5.4(12) . . . . ?
C52 C53 C56 C60 -57.6(12) . . . . ?
C54 C53 C56 C60 122.4(9) . . . . ?
C52 C53 C56 C57 123.2(9) . . . . ?
C54 C53 C56 C57 -56.8(12) . . . . ?
C60 C56 C57 C58 -2.0(12) . . . . ?
C53 C56 C57 C58 177.3(8) . . . . ?
C56 C57 C58 N6 1.7(14) . . . . ?
C59 N6 C58 C57 1.2(13) . . . . ?
Ag3 N6 C58 C57 -175.3(7) 1_645 . . . ?
C58 N6 C59 C60 -3.8(13) . . . . ?
Ag3 N6 C59 C60 172.7(7) 1_645 . . . ?
N6 C59 C60 C56 3.6(14) . . . . ?
C57 C56 C60 C59 -0.6(13) . . . . ?
C53 C56 C60 C59 -179.9(9) . . . . ?
Ag2 O3A N1A O2A -100.3(7) 2_675 . . . ?
Ag2 O3A N1A O1A 79.7(9) 2_675 . . . ?
Ag3 O5A N2A O4A -102.0(7) 1_655 . . . ?
Ag3 O5A N2A O6A 80.6(7) 1_655 . . . ?
C6S C1S C2S C3S -0.3(16) . . . . ?
Br1 C1S C2S C3S -178.3(8) . . . . ?
C1S C2S C3S C4S 0.0(15) . . . . ?
C2S C3S C4S C5S -1.2(16) . . . . ?
C3S C4S C5S C6S 2.6(17) . . . . ?
C4S C5S C6S C1S -2.8(17) . . . . ?
C2S C1S C6S C5S 1.6(17) . . . . ?
Br1 C1S C6S C5S 179.6(8) . . . . ?
C12S C7S C8S C9S 0.1(15) . . . . ?
Br2 C7S C8S C9S -178.1(8) . . . . ?
C7S C8S C9S C10S 0.0(15) . . . . ?
C8S C9S C10S C11S -0.9(17) . . . . ?
C9S C10S C11S C12S 1.4(15) . . . . ?
C10S C11S C12S C7S -1.3(15) . . . . ?
C8S C7S C12S C11S 0.7(17) . . . . ?
Br2 C7S C12S C11S 178.8(8) . . . . ?
C18S C13S C14S C15S -0.1(19) . . . . ?
Br3 C13S C14S C15S -173.9(9) . . . . ?
C13S C14S C15S C16S 0.3(18) . . . . ?
C14S C15S C16S C17S -1.6(18) . . . . ?
C15S C16S C17S C18S 2.6(18) . . . . ?
C16S C17S C18S C13S -2.3(16) . . . . ?
C14S C13S C18S C17S 1.0(17) . . . . ?
Br3 C13S C18S C17S 175.0(8) . . . . ?
C24S C19S C20S C21S 0.0 . . . . ?
Br4 C19S C20S C21S 179.6(4) . . . . ?
C19S C20S C21S C22S 0.0 . . . . ?
C20S C21S C22S C23S 0.0 . . . . ?
C21S C22S C23S C24S 0.0 . . . . ?
C22S C23S C24S C19S 0.0 . . . . ?
C20S C19S C24S C23S 0.0 . . . . ?
Br4 C19S C24S C23S -179.6(4) . . . . ?
C24' C19' C20' C21' 0.0 . . . . ?
Br4' C19' C20' C21' -179(2) . . . . ?
C19' C20' C21' C22' 0.0 . . . . ?
C20' C21' C22' C23' 0.0 . . . . ?
C21' C22' C23' C24' 0.0 . . . . ?
C22' C23' C24' C19' 0.0 . . . . ?
C20' C19' C24' C23' 0.0 . . . . ?
Br4' C19' C24' C23' 179(2) . . . . ?
C30S C25S C26S C27S 0.0 . . . . ?
Br5 C25S C26S C27S -177.7(6) . . . . ?
C25S C26S C27S C28S 0.0 . . . . ?
C26S C27S C28S C29S 0.0 . . . . ?
C27S C28S C29S C30S 0.0 . . . . ?
C28S C29S C30S C25S 0.0 . . . . ?
C26S C25S C30S C29S 0.0 . . . . ?
Br5 C25S C30S C29S 177.7(6) . . . . ?
C30' C25' C26' C27' 0.0 . . . . ?
Br5' C25' C26' C27' 178.8(17) . . . . ?
C25' C26' C27' C28' 0.0 . . . . ?
C26' C27' C28' C29' 0.0 . . . . ?
C27' C28' C29' C30' 0.0 . . . . ?
C28' C29' C30' C25' 0.0 . . . . ?
C26' C25' C30' C29' 0.0 . . . . ?
Br5' C25' C30' C29' -178.7(18) . . . . ?
