#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:02:04 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178882 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/11/4111126.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_4111126
loop_
_publ_author_name
'Sara R. Halper'
'Loi Do'
'Jay R. Stork'
'Seth M. Cohen'
_publ_section_title
;
 Topological Control in Heterometallic Metal-Organic Frameworks by Anion
 Templating and Metalloligand Design
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15255
_journal_page_last               15268
_journal_paper_doi               10.1021/ja0645483
_journal_volume                  128
_journal_year                    2006
_chemical_formula_moiety
'C42 H30 Ag Fe N9, C2 H3 N, F6 Sb, 1.5(C6 H6)'
_chemical_formula_sum            'C53 H42 Ag F6 Fe N10 Sb'
_chemical_formula_weight         1218.44
_chemical_name_common            MOF-Fe/AgSbF₆-1
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.009(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.874(2)
_cell_length_b                   24.606(3)
_cell_length_c                   16.377(2)
_cell_measurement_reflns_used    9154
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.6
_cell_measurement_theta_min      2.26
_cell_volume                     6010.7(13)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART 5.054 (Bruker, 2003)'
_computing_data_reduction        'SAINT 6.45A (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL 5.1 (Sheldrick, 1994)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       ω
_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  0.0622
_diffrn_reflns_av_sigmaI/netI    0.0616
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            44457
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.37
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.065
_exptl_absorpt_correction_T_max  0.96781
_exptl_absorpt_correction_T_min  0.82314
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.10 (Sheldrick, 2004)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_description       plate
_exptl_crystal_F_000             2432
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.04
_platon_squeeze_details          ' ?'
_refine_diff_density_max         1.012
_refine_diff_density_min         -0.805
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     683
_refine_ls_number_reflns         10996
_refine_ls_number_restraints     17
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.1297
_refine_ls_R_factor_gt           0.1070
_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)+(0.0848P)²+59.4350P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2651
_refine_ls_wR_factor_ref         0.2759
_reflns_number_gt                7990
_reflns_number_total             10996
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ja0645483rom20060627_113302_02.cif
_cod_data_source_block           MOF-Fe/AgSbF~6~-1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4111126
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.14433(5) 0.38513(5) 0.88523(5) 0.0836(4) Uani 1 1 d . . .
Fe1 Fe 0.51566(8) 0.35556(5) 0.50197(7) 0.0399(3) Uani 1 1 d . . .
C1 C 0.3652(6) 0.4337(4) 0.4349(5) 0.0414(19) Uani 1 1 d . . .
H1 H 0.3829 0.4440 0.3873 0.050 Uiso 1 1 calc R . .
C2 C 0.2902(5) 0.4546(4) 0.4513(5) 0.042(2) Uani 1 1 d . . .
H2 H 0.2496 0.4810 0.4174 0.051 Uiso 1 1 calc R . .
C3 C 0.2862(5) 0.4305(4) 0.5238(5) 0.044(2) Uani 1 1 d . . .
H3 H 0.2429 0.4371 0.5507 0.053 Uiso 1 1 calc R . .
C4 C 0.3590(5) 0.3933(4) 0.5524(5) 0.040(2) Uani 1 1 d . . .
C5 C 0.3842(5) 0.3621(4) 0.6259(5) 0.0384(19) Uani 1 1 d . . .
C6 C 0.4548(5) 0.3255(4) 0.6519(5) 0.0366(18) Uani 1 1 d . . .
C7 C 0.4815(5) 0.2902(4) 0.7248(5) 0.044(2) Uani 1 1 d . . .
H7 H 0.4554 0.2887 0.7691 0.052 Uiso 1 1 calc R . .
C8 C 0.5511(6) 0.2586(4) 0.7207(6) 0.051(2) Uani 1 1 d . . .
H8 H 0.5823 0.2315 0.7609 0.061 Uiso 1 1 calc R . .
C9 C 0.5667(5) 0.2744(4) 0.6455(5) 0.043(2) Uani 1 1 d . . .
H9 H 0.6119 0.2590 0.6268 0.052 Uiso 1 1 calc R . .
C10 C 0.3302(5) 0.3676(4) 0.6841(5) 0.040(2) Uani 1 1 d . . .
C11 C 0.2440(6) 0.3446(4) 0.6613(6) 0.050(2) Uani 1 1 d . . .
H11 H 0.2198 0.3239 0.6096 0.060 Uiso 1 1 calc R . .
C12 C 0.1968(7) 0.3527(5) 0.7142(7) 0.065(3) Uani 1 1 d . . .
H12 H 0.1386 0.3371 0.6981 0.078 Uiso 1 1 calc R . .
C13 C 0.3084(7) 0.4023(5) 0.8109(6) 0.063(3) Uani 1 1 d . . .
H13 H 0.3316 0.4220 0.8638 0.076 Uiso 1 1 calc R . .
C14 C 0.3616(6) 0.3965(4) 0.7607(6) 0.053(2) Uani 1 1 d . . .
H14 H 0.4197 0.4123 0.7787 0.064 Uiso 1 1 calc R . .
C15 C 0.5602(6) 0.4449(4) 0.6292(5) 0.046(2) Uani 1 1 d . . .
H15 H 0.5002 0.4579 0.6103 0.056 Uiso 1 1 calc R . .
C16 C 0.6308(6) 0.4647(4) 0.7030(5) 0.051(2) Uani 1 1 d . . .
H16 H 0.6260 0.4923 0.7417 0.061 Uiso 1 1 calc R . .
C17 C 0.7062(6) 0.4370(5) 0.7082(5) 0.055(3) Uani 1 1 d . . .
H17 H 0.7643 0.4419 0.7501 0.066 Uiso 1 1 calc R . .
C18 C 0.6812(5) 0.3992(4) 0.6388(5) 0.041(2) Uani 1 1 d . . .
C19 C 0.7367(6) 0.3608(4) 0.6180(6) 0.049(2) Uani 1 1 d . . .
C20 C 0.7091(6) 0.3220(4) 0.5539(5) 0.049(2) Uani 1 1 d . . .
C21 C 0.7629(7) 0.2838(5) 0.5297(6) 0.063(3) Uani 1 1 d . . .
H21 H 0.8261 0.2799 0.5549 0.075 Uiso 1 1 calc R . .
C22 C 0.7066(8) 0.2536(5) 0.4630(7) 0.068(3) Uani 1 1 d . . .
H22 H 0.7227 0.2247 0.4326 0.081 Uiso 1 1 calc R . .
C23 C 0.6210(7) 0.2738(4) 0.4490(6) 0.054(2) Uani 1 1 d . . .
H23 H 0.5688 0.2602 0.4056 0.064 Uiso 1 1 calc R . .
C24 C 0.8330(6) 0.3631(4) 0.6762(6) 0.052(2) Uani 1 1 d . . .
C25 C 0.8668(7) 0.3248(5) 0.7414(7) 0.076(3) Uani 1 1 d . . .
H25 H 0.8305 0.2958 0.7488 0.091 Uiso 1 1 calc R . .
C26 C 0.9552(8) 0.3300(6) 0.7953(8) 0.085(4) Uani 1 1 d . . .
H26 H 0.9789 0.3038 0.8398 0.102 Uiso 1 1 calc R . .
C27 C 0.9765(7) 0.4025(6) 0.7223(7) 0.079(4) Uani 1 1 d . . .
H27 H 1.0156 0.4295 0.7138 0.095 Uiso 1 1 calc R . .
C28 C 0.8905(6) 0.4015(5) 0.6638(7) 0.069(3) Uani 1 1 d . . .
H28 H 0.8715 0.4264 0.6167 0.083 Uiso 1 1 calc R . .
C29 C 0.5932(6) 0.4343(4) 0.4129(6) 0.047(2) Uani 1 1 d . . .
H29 H 0.6366 0.4457 0.4662 0.056 Uiso 1 1 calc R . .
C30 C 0.5855(6) 0.4555(4) 0.3303(6) 0.049(2) Uani 1 1 d . . .
H30 H 0.6225 0.4825 0.3184 0.059 Uiso 1 1 calc R . .
C31 C 0.5143(6) 0.4296(4) 0.2709(6) 0.052(2) Uani 1 1 d . . .
H31 H 0.4922 0.4354 0.2099 0.062 Uiso 1 1 calc R . .
C32 C 0.4808(6) 0.3930(4) 0.3168(5) 0.046(2) Uani 1 1 d . . .
C33 C 0.4086(5) 0.3566(4) 0.2840(5) 0.042(2) Uani 1 1 d . A .
C34 C 0.3860(6) 0.3161(4) 0.3318(5) 0.044(2) Uani 1 1 d . . .
C35 C 0.3159(7) 0.2783(4) 0.3015(6) 0.053(2) Uani 1 1 d . . .
H35 H 0.2729 0.2767 0.2445 0.064 Uiso 1 1 calc R . .
C36 C 0.3212(8) 0.2437(5) 0.3701(6) 0.070(3) Uani 1 1 d . . .
H36 H 0.2847 0.2129 0.3688 0.084 Uiso 1 1 calc R . .
C37 C 0.3911(7) 0.2636(4) 0.4412(5) 0.054(2) Uani 1 1 d . . .
H37 H 0.4078 0.2486 0.4980 0.064 Uiso 1 1 calc R . .
C38 C 0.3509(6) 0.3629(4) 0.1911(5) 0.042(2) Uani 1 1 d . . .
C39 C 0.3816(11) 0.3495(7) 0.1257(8) 0.034(4) Uani 0.59(3) 1 d P A 1
H39 H 0.4399 0.3349 0.1373 0.041 Uiso 0.59(3) 1 calc PR A 1
C40 C 0.3249(12) 0.3580(6) 0.0427(9) 0.037(4) Uani 0.59(3) 1 d P A 1
H40 H 0.3471 0.3505 -0.0030 0.044 Uiso 0.59(3) 1 calc PR A 1
C41 C 0.2204(19) 0.3960(14) 0.0940(17) 0.058(8) Uani 0.59(3) 1 d P A 1
H41 H 0.1681 0.4174 0.0842 0.069 Uiso 0.59(3) 1 calc PR A 1
C42 C 0.272(2) 0.3866(16) 0.177(2) 0.077(12) Uani 0.59(3) 1 d P A 1
H42 H 0.2528 0.3965 0.2239 0.092 Uiso 0.59(3) 1 calc PR A 1
C43 C 0.339(2) 0.3209(16) 0.1263(16) 0.064(10) Uani 0.41(3) 1 d P A 2
H43 H 0.3748 0.2891 0.1415 0.076 Uiso 0.41(3) 1 calc PR A 2
C44 C 0.276(2) 0.3254(19) 0.0409(16) 0.082(16) Uani 0.41(3) 1 d P A 2
H44 H 0.2613 0.2958 0.0012 0.098 Uiso 0.41(3) 1 calc PR A 2
C45 C 0.234(2) 0.408(2) 0.068(2) 0.054(9) Uani 0.41(3) 1 d P A 2
H45 H 0.1935 0.4370 0.0501 0.065 Uiso 0.41(3) 1 calc PR A 2
C46 C 0.293(3) 0.4031(16) 0.159(2) 0.063(13) Uani 0.41(3) 1 d P A 2
H46 H 0.2892 0.4309 0.1978 0.075 Uiso 0.41(3) 1 calc PR A 2
N1 N 0.4085(4) 0.3971(3) 0.4960(4) 0.0374(15) Uani 1 1 d . . .
N2 N 0.5103(4) 0.3142(3) 0.6023(4) 0.0387(16) Uani 1 1 d . . .
N3 N 0.2264(5) 0.3819(4) 0.7894(6) 0.065(2) Uani 1 1 d . . .
N4 N 0.5905(5) 0.4051(3) 0.5900(4) 0.0419(16) Uani 1 1 d . . .
N5 N 0.6200(5) 0.3132(3) 0.5016(4) 0.0455(18) Uani 1 1 d . . .
N6 N 1.0093(5) 0.3704(5) 0.7878(5) 0.068(3) Uani 1 1 d . . .
N7 N 0.5319(5) 0.3964(3) 0.4060(4) 0.0492(19) Uani 1 1 d . . .
N8 N 0.4314(5) 0.3058(3) 0.4201(4) 0.0445(18) Uani 1 1 d . . .
N9 N 0.2381(5) 0.3764(4) 0.0200(5) 0.056(2) Uani 1 1 d . . .
Sb1 Sb 1.0000 0.5000 0.5000 0.1505(12) Uani 0.76 2 d SPD . .
F1 F 0.910(2) 0.4481(13) 0.4791(14) 0.32(2) Uani 0.76 1 d P B .
F2 F 0.944(3) 0.5176(14) 0.578(2) 0.23(3) Uani 0.38 1 d PD B 5
F3 F 1.042(3) 0.437(2) 0.555(5) 0.34(5) Uani 0.38 1 d PD B 5
F4 F 0.977(3) 0.541(2) 0.584(2) 0.22(3) Uani 0.38 1 d PD B 6
F5 F 1.0817(18) 0.4562(13) 0.5780(17) 0.111(9) Uani 0.38 1 d P B 6
Sb2 Sb 0.5000 0.5000 0.0000 0.078 Uani 0.52 2 d SPD . .
F6 F 0.4026 0.5149 -0.0977 0.154 Uani 0.26 1 d P C 7
F7 F 0.4171 0.4671 0.0342 0.109 Uiso 0.26 1 d P C 7
F8 F 0.5405 0.4318 -0.0039 0.229 Uiso 0.26 1 d PD C 7
F9 F 0.4851 0.5328 0.0960 0.162 Uani 0.26 1 d P . 8
F10 F 0.6071 0.4757 0.0015 0.338 Uiso 0.26 1 d PD . 8
F11 F 0.5064 0.5715 -0.0246 0.140 Uiso 0.26 1 d PD C 8
Sb3 Sb 0.02757(12) 0.27562(9) 0.05679(13) 0.0609(5) Uani 0.36 1 d PD D 3
F12 F -0.0833(13) 0.2772(13) -0.0241(18) 0.21(2) Uani 0.36 1 d PD D 3
F13 F 0.0401(19) 0.3398(12) 0.011(2) 0.225(17) Uani 0.36 1 d PD D 3
F14 F 0.0046(19) 0.2132(10) 0.099(2) 0.225(17) Uani 0.36 1 d PD D 3
F15 F -0.015(3) 0.3123(17) 0.132(2) 0.33(3) Uani 0.36 1 d PD D 3
F16 F 0.1351(17) 0.2755(14) 0.140(2) 0.23(2) Uani 0.36 1 d PD D 3
F17 F 0.071(3) 0.2414(17) -0.018(2) 0.33(3) Uani 0.36 1 d PD D 3
N10 N 0.1408 0.4865 0.8813 0.181 Uani 1 1 d . . .
C47 C 0.1738 0.4986 0.8280 0.309 Uani 1 1 d . . .
C48 C 0.2071 0.5236 0.7499 0.220 Uani 1 1 d . . .
H48A H 0.1768 0.5042 0.6955 0.330 Uiso 1 1 d . . .
H48B H 0.2721 0.5192 0.7660 0.330 Uiso 1 1 d . . .
H48C H 0.1919 0.5624 0.7420 0.330 Uiso 1 1 d . . .
C49 C 0.072(2) 0.1584(10) -0.058(2) 0.19(2) Uiso 0.50 1 d PG E 4
H49 H 0.0670 0.1240 -0.0853 0.232 Uiso 0.50 1 calc PR E 4
C50 C 0.1218(18) 0.1995(12) -0.0781(16) 0.111(10) Uiso 0.50 1 d PG E 4
H50 H 0.1502 0.1932 -0.1198 0.133 Uiso 0.50 1 calc PR E 4
C51 C 0.1297(18) 0.2498(10) -0.0377(19) 0.119(11) Uiso 0.50 1 d PG E 4
H51 H 0.1635 0.2779 -0.0517 0.143 Uiso 0.50 1 calc PR E 4
C52 C 0.088(3) 0.2591(13) 0.023(2) 0.18(2) Uiso 0.50 1 d PG E 4
H52 H 0.0936 0.2935 0.0509 0.217 Uiso 0.50 1 calc PR E 4
C53 C 0.039(2) 0.2179(19) 0.044(2) 0.25(3) Uiso 0.50 1 d PG E 4
H53 H 0.0104 0.2242 0.0854 0.306 Uiso 0.50 1 calc PR E 4
C54 C 0.031(2) 0.1676(16) 0.003(3) 0.20(2) Uiso 0.50 1 d PG E 4
H54 H -0.0029 0.1395 0.0173 0.240 Uiso 0.50 1 calc PR E 4
C55 C 0.8112(14) 0.1676(8) 0.8256(17) 0.144(8) Uani 1 1 d . . .
H55 H 0.8388 0.1732 0.8864 0.172 Uiso 1 1 calc R . .
C56 C 0.7304(15) 0.1504(7) 0.7970(14) 0.126(7) Uani 1 1 d . . .
H56 H 0.7007 0.1413 0.8365 0.151 Uiso 1 1 calc R . .
C57 C 0.6845(16) 0.1449(10) 0.7053(15) 0.154(9) Uani 1 1 d . . .
H57 H 0.6242 0.1325 0.6847 0.185 Uiso 1 1 calc R . .
C58 C 0.726(3) 0.1574(13) 0.6465(19) 0.203(12) Uani 1 1 d . . .
H58 H 0.6981 0.1528 0.5856 0.243 Uiso 1 1 calc R . .
C59 C 0.815(2) 0.1780(14) 0.686(2) 0.189(13) Uani 1 1 d . . .
H59 H 0.8458 0.1920 0.6492 0.227 Uiso 1 1 calc R . .
C60 C 0.8583(18) 0.1780(10) 0.774(2) 0.168(10) Uani 1 1 d . . .
H60 H 0.9208 0.1854 0.7984 0.201 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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
N9 Ag1 N6 148.9(3) 1_556 1_455
N9 Ag1 N3 108.9(3) 1_556 .
N6 Ag1 N3 97.7(3) 1_455 .
N9 Ag1 N10 97.1(3) 1_556 .
N6 Ag1 N10 97.9(3) 1_455 .
N3 Ag1 N10 91.7(2) . .
N4 Fe1 N7 93.3(3) . .
N4 Fe1 N1 90.5(3) . .
N7 Fe1 N1 92.5(3) . .
N4 Fe1 N5 91.9(3) . .
N7 Fe1 N5 85.8(3) . .
N1 Fe1 N5 177.1(3) . .
N4 Fe1 N2 84.0(3) . .
N7 Fe1 N2 175.2(3) . .
N1 Fe1 N2 91.6(3) . .
N5 Fe1 N2 90.3(3) . .
N4 Fe1 N8 173.9(3) . .
N7 Fe1 N8 91.1(3) . .
N1 Fe1 N8 85.1(3) . .
N5 Fe1 N8 92.6(3) . .
N2 Fe1 N8 91.9(3) . .
N1 C1 C2 110.6(7) . .
N1 C1 H1 124.7 . .
C2 C1 H1 124.7 . .
C3 C2 C1 107.8(8) . .
C3 C2 H2 126.1 . .
C1 C2 H2 126.1 . .
C2 C3 C4 107.2(8) . .
C2 C3 H3 126.4 . .
C4 C3 H3 126.4 . .
C5 C4 N1 123.7(7) . .
C5 C4 C3 127.8(8) . .
N1 C4 C3 108.3(7) . .
C4 C5 C6 126.7(7) . .
C4 C5 C10 116.9(7) . .
C6 C5 C10 116.3(7) . .
C5 C6 N2 123.3(7) . .
C5 C6 C7 129.2(7) . .
N2 C6 C7 107.3(7) . .
C8 C7 C6 108.5(7) . .
C8 C7 H7 125.7 . .
C6 C7 H7 125.7 . .
C7 C8 C9 106.0(8) . .
C7 C8 H8 127.0 . .
C9 C8 H8 127.0 . .
N2 C9 C8 112.3(8) . .
N2 C9 H9 123.8 . .
C8 C9 H9 123.8 . .
C14 C10 C11 117.7(8) . .
C14 C10 C5 121.4(7) . .
C11 C10 C5 120.9(7) . .
C12 C11 C10 118.4(9) . .
C12 C11 H11 120.8 . .
C10 C11 H11 120.8 . .
C11 C12 N3 124.5(10) . .
C11 C12 H12 117.7 . .
N3 C12 H12 117.7 . .
N3 C13 C14 123.5(9) . .
N3 C13 H13 118.3 . .
C14 C13 H13 118.3 . .
C13 C14 C10 119.5(9) . .
C13 C14 H14 120.2 . .
C10 C14 H14 120.2 . .
N4 C15 C16 110.3(8) . .
N4 C15 H15 124.9 . .
C16 C15 H15 124.9 . .
C17 C16 C15 107.7(9) . .
C17 C16 H16 126.2 . .
C15 C16 H16 126.2 . .
C16 C17 C18 106.3(8) . .
C16 C17 H17 126.8 . .
C18 C17 H17 126.8 . .
N4 C18 C19 122.6(8) . .
N4 C18 C17 110.0(7) . .
C19 C18 C17 127.4(8) . .
C20 C19 C18 126.0(8) . .
C20 C19 C24 120.0(8) . .
C18 C19 C24 113.9(8) . .
C19 C20 N5 124.5(8) . .
C19 C20 C21 127.6(9) . .
N5 C20 C21 107.9(8) . .
C22 C21 C20 107.0(9) . .
C22 C21 H21 126.5 . .
C20 C21 H21 126.5 . .
C21 C22 C23 105.8(9) . .
C21 C22 H22 127.1 . .
C23 C22 H22 127.1 . .
N5 C23 C22 113.0(9) . .
N5 C23 H23 123.5 . .
C22 C23 H23 123.5 . .
C28 C24 C25 118.6(9) . .
C28 C24 C19 121.0(8) . .
C25 C24 C19 120.3(10) . .
C26 C25 C24 117.9(11) . .
C26 C25 H25 121.1 . .
C24 C25 H25 121.1 . .
N6 C26 C25 123.4(10) . .
N6 C26 H26 118.3 . .
C25 C26 H26 118.3 . .
N6 C27 C28 126.2(12) . .
N6 C27 H27 116.9 . .
C28 C27 H27 116.9 . .
C27 C28 C24 117.4(10) . .
C27 C28 H28 121.3 . .
C24 C28 H28 121.3 . .
N7 C29 C30 111.0(8) . .
N7 C29 H29 124.5 . .
C30 C29 H29 124.5 . .
C31 C30 C29 106.7(8) . .
C31 C30 H30 126.7 . .
C29 C30 H30 126.7 . .
C30 C31 C32 107.0(8) . .
C30 C31 H31 126.5 . .
C32 C31 H31 126.5 . .
C31 C32 C33 128.1(8) . .
C31 C32 N7 109.3(8) . .
C33 C32 N7 122.5(8) . .
C34 C33 C32 125.1(8) . .
C34 C33 C38 117.6(8) . .
C32 C33 C38 117.3(8) . .
C33 C34 N8 124.9(8) . .
C33 C34 C35 127.0(8) . .
N8 C34 C35 108.1(8) . .
C36 C35 C34 107.4(8) . .
C36 C35 H35 126.3 . .
C34 C35 H35 126.3 . .
C35 C36 C37 105.8(9) . .
C35 C36 H36 127.1 . .
C37 C36 H36 127.1 . .
N8 C37 C36 112.0(8) . .
N8 C37 H37 124.0 . .
C36 C37 H37 124.0 . .
C42 C38 C46 29(2) . .
C42 C38 C39 122.7(15) . .
C46 C38 C39 105(2) . .
C42 C38 C43 107.9(19) . .
C46 C38 C43 110.0(17) . .
C39 C38 C43 40.7(13) . .
C42 C38 C33 115.8(14) . .
C46 C38 C33 125.4(15) . .
C39 C38 C33 121.2(9) . .
C43 C38 C33 123.7(13) . .
C38 C39 C40 117.0(12) . .
C38 C39 H39 121.5 . .
C40 C39 H39 121.5 . .
C39 C40 N9 125.3(12) . .
C39 C40 H40 117.3 . .
N9 C40 H40 117.3 . .
C42 C41 N9 125(2) . .
C42 C41 H41 117.5 . .
N9 C41 H41 117.5 . .
C38 C42 C41 118(2) . .
C38 C42 H42 121.2 . .
C41 C42 H42 121.2 . .
C44 C43 C38 123(3) . .
C44 C43 H43 118.7 . .
C38 C43 H43 118.7 . .
N9 C44 C43 114(3) . .
N9 C44 H44 122.8 . .
C43 C44 H44 122.8 . .
N9 C45 C46 120(4) . .
N9 C45 H45 120.0 . .
C46 C45 H45 120.0 . .
C38 C46 C45 125(3) . .
C38 C46 H46 117.7 . .
C45 C46 H46 117.7 . .
C1 N1 C4 106.0(7) . .
C1 N1 Fe1 126.8(6) . .
C4 N1 Fe1 127.1(6) . .
C9 N2 C6 105.8(7) . .
C9 N2 Fe1 127.3(5) . .
C6 N2 Fe1 126.3(6) . .
C13 N3 C12 116.3(9) . .
C13 N3 Ag1 121.8(7) . .
C12 N3 Ag1 121.4(7) . .
C15 N4 C18 105.7(7) . .
C15 N4 Fe1 125.5(6) . .
C18 N4 Fe1 127.3(6) . .
C23 N5 C20 106.3(8) . .
C23 N5 Fe1 127.0(7) . .
C20 N5 Fe1 126.5(6) . .
C27 N6 C26 116.1(9) . .
C27 N6 Ag1 120.8(9) . 1_655
C26 N6 Ag1 123.0(7) . 1_655
C29 N7 C32 106.0(8) . .
C29 N7 Fe1 126.1(6) . .
C32 N7 Fe1 127.9(6) . .
C37 N8 C34 106.7(7) . .
C37 N8 Fe1 126.0(5) . .
C34 N8 Fe1 125.5(6) . .
C45 N9 C40 109(2) . .
C45 N9 C44 125(2) . .
C40 N9 C44 47.3(18) . .
C45 N9 C41 24(3) . .
C40 N9 C41 110.7(14) . .
C44 N9 C41 107.1(16) . .
C45 N9 Ag1 117(2) . 1_554
C40 N9 Ag1 124.9(8) . 1_554
C44 N9 Ag1 115.0(14) . 1_554
C41 N9 Ag1 123.9(12) . 1_554
F3 Sb1 F3 180.000(9) 3_766 .
F3 Sb1 F5 24(2) 3_766 3_766
F3 Sb1 F5 156(2) . 3_766
F3 Sb1 F5 156(2) 3_766 .
F3 Sb1 F5 24(2) . .
F5 Sb1 F5 180.000(6) 3_766 .
F3 Sb1 F2 88(2) 3_766 .
F3 Sb1 F2 92(2) . .
F5 Sb1 F2 87.2(14) 3_766 .
F5 Sb1 F2 92.8(14) . .
F3 Sb1 F2 92(2) 3_766 3_766
F3 Sb1 F2 88(2) . 3_766
F5 Sb1 F2 92.8(14) 3_766 3_766
F5 Sb1 F2 87.2(14) . 3_766
F2 Sb1 F2 180.000(8) . 3_766
F3 Sb1 F4 77(3) 3_766 .
F3 Sb1 F4 103(3) . .
F5 Sb1 F4 85.8(17) 3_766 .
F5 Sb1 F4 94.2(17) . .
F2 Sb1 F4 23.7(19) . .
F2 Sb1 F4 156.3(19) 3_766 .
F3 Sb1 F4 103(3) 3_766 3_766
F3 Sb1 F4 77(3) . 3_766
F5 Sb1 F4 94.2(17) 3_766 3_766
F5 Sb1 F4 85.8(17) . 3_766
F2 Sb1 F4 156.3(19) . 3_766
F2 Sb1 F4 23.7(19) 3_766 3_766
F4 Sb1 F4 180.000(9) . 3_766
F3 Sb1 F1 111(2) 3_766 .
F3 Sb1 F1 69(2) . .
F5 Sb1 F1 87.6(14) 3_766 .
F5 Sb1 F1 92.4(14) . .
F2 Sb1 F1 76.5(15) . .
F2 Sb1 F1 103.5(15) 3_766 .
F4 Sb1 F1 100.1(17) . .
F4 Sb1 F1 79.9(17) 3_766 .
F3 Sb1 F1 69(2) 3_766 3_766
F3 Sb1 F1 111(2) . 3_766
F5 Sb1 F1 92.4(14) 3_766 3_766
F5 Sb1 F1 87.6(14) . 3_766
F2 Sb1 F1 103.5(15) . 3_766
F2 Sb1 F1 76.5(15) 3_766 3_766
F4 Sb1 F1 79.9(17) . 3_766
F4 Sb1 F1 100.1(17) 3_766 3_766
F1 Sb1 F1 180.0(14) . 3_766
F7 Sb2 F7 180.0 . 3_665
F7 Sb2 F10 50.3 . 3_665
F7 Sb2 F10 129.7 3_665 3_665
F7 Sb2 F10 129.7 . .
F7 Sb2 F10 50.3 3_665 .
F10 Sb2 F10 180.0 3_665 .
F7 Sb2 F8 95.8 . 3_665
F7 Sb2 F8 84.2 3_665 3_665
F10 Sb2 F8 48.9 3_665 3_665
F10 Sb2 F8 131.1 . 3_665
F7 Sb2 F8 84.2 . .
F7 Sb2 F8 95.8 3_665 .
F10 Sb2 F8 131.1 3_665 .
F10 Sb2 F8 48.9 . .
F8 Sb2 F8 180.0 3_665 .
F7 Sb2 F11 127.6 . .
F7 Sb2 F11 52.4 3_665 .
F10 Sb2 F11 78.3 3_665 .
F10 Sb2 F11 101.7 . .
F8 Sb2 F11 32.3 3_665 .
F8 Sb2 F11 147.7 . .
F7 Sb2 F11 52.4 . 3_665
F7 Sb2 F11 127.6 3_665 3_665
F10 Sb2 F11 101.7 3_665 3_665
F10 Sb2 F11 78.3 . 3_665
F8 Sb2 F11 147.7 3_665 3_665
F8 Sb2 F11 32.3 . 3_665
F11 Sb2 F11 180.0 . 3_665
F7 Sb2 F6 97.3 . 3_665
F7 Sb2 F6 82.7 3_665 3_665
F10 Sb2 F6 126.1 3_665 3_665
F10 Sb2 F6 54.0 . 3_665
F8 Sb2 F6 111.0 3_665 3_665
F8 Sb2 F6 69.0 . 3_665
F11 Sb2 F6 107.0 . 3_665
F11 Sb2 F6 73.0 3_665 3_665
F7 Sb2 F6 82.7 . .
F7 Sb2 F6 97.3 3_665 .
F10 Sb2 F6 54.0 3_665 .
F10 Sb2 F6 126.0 . .
F8 Sb2 F6 69.0 3_665 .
F8 Sb2 F6 111.0 . .
F11 Sb2 F6 73.0 . .
F11 Sb2 F6 107.0 3_665 .
F6 Sb2 F6 180.0 3_665 .
F7 Sb2 F9 67.1 . .
F7 Sb2 F9 112.9 3_665 .
F10 Sb2 F9 58.1 3_665 .
F10 Sb2 F9 121.9 . .
F8 Sb2 F9 54.2 3_665 .
F8 Sb2 F9 125.8 . .
F11 Sb2 F9 78.4 . .
F11 Sb2 F9 101.6 3_665 .
F6 Sb2 F9 70.3 3_665 .
F6 Sb2 F9 109.7 . .
F7 Sb2 F9 112.9 . 3_665
F7 Sb2 F9 67.1 3_665 3_665
F10 Sb2 F9 121.9 3_665 3_665
F10 Sb2 F9 58.1 . 3_665
F8 Sb2 F9 125.8 3_665 3_665
F8 Sb2 F9 54.2 . 3_665
F11 Sb2 F9 101.6 . 3_665
F11 Sb2 F9 78.4 3_665 3_665
F6 Sb2 F9 109.7 3_665 3_665
F6 Sb2 F9 70.3 . 3_665
F9 Sb2 F9 180.0 . 3_665
F10 F9 Sb2 59.3 3_665 .
F9 F10 Sb2 62.7 3_665 .
F14 Sb3 F16 88.4(14) . .
F14 Sb3 F13 174.8(13) . .
F16 Sb3 F13 96.1(13) . .
F14 Sb3 F17 92.0(15) . .
F16 Sb3 F17 91.6(15) . .
F13 Sb3 F17 90.4(15) . .
F14 Sb3 F12 91.4(12) . .
F16 Sb3 F12 177.4(17) . .
F13 Sb3 F12 83.9(11) . .
F17 Sb3 F12 90.9(15) . .
F14 Sb3 F15 89.7(15) . .
F16 Sb3 F15 88.1(15) . .
F13 Sb3 F15 87.9(15) . .
F17 Sb3 F15 178.3(18) . .
F12 Sb3 F15 89.3(15) . .
C47 N10 Ag1 104.859(17) . .
N10 C47 C48 170.6 . .
C47 C48 H48A 109.5 . .
C47 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C47 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C50 C49 C54 120.0 . .
C50 C49 H49 120.0 . .
C54 C49 H49 120.0 . .
C49 C50 C51 120.0 . .
C49 C50 H50 120.0 . .
C51 C50 H50 120.0 . .
C52 C51 C50 120.0 . .
C52 C51 H51 120.0 . .
C50 C51 H51 120.0 . .
C53 C52 C51 120.0 . .
C53 C52 H52 120.0 . .
C51 C52 H52 120.0 . .
C52 C53 C54 120.0 . .
C52 C53 H53 120.0 . .
C54 C53 H53 120.0 . .
C53 C54 C49 120.0 . .
C53 C54 H54 120.0 . .
C49 C54 H54 120.0 . .
C56 C55 C60 123(3) . .
C56 C55 H55 118.5 . .
C60 C55 H55 118.5 . .
C55 C56 C57 120(2) . .
C55 C56 H56 119.9 . .
C57 C56 H56 119.9 . .
C58 C57 C56 121(3) . .
C58 C57 H57 119.4 . .
C56 C57 H57 119.4 . .
C57 C58 C59 114(3) . .
C57 C58 H58 123.0 . .
C59 C58 H58 123.0 . .
C60 C59 C58 122(3) . .
C60 C59 H59 119.1 . .
C58 C59 H59 119.1 . .
C55 C60 C59 119(3) . .
C55 C60 H60 120.5 . .
C59 C60 H60 120.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N9 2.210(8) 1_556
Ag1 N6 2.221(8) 1_455
Ag1 N3 2.359(8) .
Ag1 N10 2.4944(13) .
Fe1 N4 1.951(7) .
Fe1 N7 1.955(7) .
Fe1 N1 1.959(7) .
Fe1 N5 1.959(7) .
Fe1 N2 1.959(7) .
Fe1 N8 1.964(7) .
C1 N1 1.347(10) .
C1 C2 1.404(12) .
C1 H1 0.9500 .
C2 C3 1.348(12) .
C2 H2 0.9500 .
C3 C4 1.422(12) .
C3 H3 0.9500 .
C4 C5 1.366(12) .
C4 N1 1.406(10) .
C5 C6 1.386(12) .
C5 C10 1.491(11) .
C6 N2 1.416(10) .
C6 C7 1.420(11) .
C7 C8 1.371(13) .
C7 H7 0.9500 .
C8 C9 1.391(12) .
C8 H8 0.9500 .
C9 N2 1.350(11) .
C9 H9 0.9500 .
C10 C14 1.379(12) .
C10 C11 1.408(12) .
C11 C12 1.340(14) .
C11 H11 0.9500 .
C12 N3 1.363(14) .
C12 H12 0.9500 .
C13 N3 1.326(13) .
C13 C14 1.373(13) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 N4 1.346(11) .
C15 C16 1.424(12) .
C15 H15 0.9500 .
C16 C17 1.354(13) .
C16 H16 0.9500 .
C17 C18 1.416(13) .
C17 H17 0.9500 .
C18 N4 1.395(10) .
C18 C19 1.411(12) .
C19 C20 1.375(13) .
C19 C24 1.501(12) .
C20 N5 1.398(11) .
C20 C21 1.414(13) .
C21 C22 1.370(15) .
C21 H21 0.9500 .
C22 C23 1.389(14) .
C22 H22 0.9500 .
C23 N5 1.300(12) .
C23 H23 0.9500 .
C24 C28 1.378(15) .
C24 C25 1.387(14) .
C25 C26 1.385(16) .
C25 H25 0.9500 .
C26 N6 1.345(16) .
C26 H26 0.9500 .
C27 N6 1.290(13) .
C27 C28 1.374(13) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 N7 1.325(11) .
C29 C30 1.416(12) .
C29 H29 0.9500 .
C30 C31 1.371(13) .
C30 H30 0.9500 .
C31 C32 1.390(13) .
C31 H31 0.9500 .
C32 C33 1.408(13) .
C32 N7 1.410(10) .
C33 C34 1.388(12) .
C33 C38 1.492(11) .
C34 N8 1.401(10) .
C34 C35 1.404(13) .
C35 C36 1.389(14) .
C35 H35 0.9500 .
C36 C37 1.393(14) .
C36 H36 0.9500 .
C37 N8 1.326(12) .
C37 H37 0.9500 .
C38 C42 1.33(3) .
C38 C46 1.33(3) .
C38 C39 1.359(16) .
C38 C43 1.45(3) .
C39 C40 1.365(19) .
C39 H39 0.9500 .
C40 N9 1.375(18) .
C40 H40 0.9500 .
C41 C42 1.35(4) .
C41 N9 1.42(3) .
C41 H41 0.9500 .
C42 H42 0.9500 .
C43 C44 1.42(3) .
C43 H43 0.9500 .
C44 N9 1.38(4) .
C44 H44 0.9500 .
C45 N9 1.11(4) .
C45 C46 1.46(5) .
C45 H45 0.9500 .
C46 H46 0.9500 .
N6 Ag1 2.221(8) 1_655
N9 Ag1 2.210(8) 1_554
Sb1 F3 1.792(19) 3_766
Sb1 F3 1.792(19) .
Sb1 F5 1.83(2) 3_766
Sb1 F5 1.83(2) .
Sb1 F2 1.838(18) .
Sb1 F2 1.838(19) 3_766
Sb1 F4 1.841(16) .
Sb1 F4 1.841(16) 3_766
Sb1 F1 1.86(2) .
Sb1 F1 1.86(2) 3_766
Sb2 F7 1.7903 .
Sb2 F7 1.7903 3_665
Sb2 F10 1.7942 3_665
Sb2 F10 1.7942 .
Sb2 F8 1.8057 3_665
Sb2 F8 1.8057 .
Sb2 F11 1.8150 .
Sb2 F11 1.8151 3_665
Sb2 F6 1.8423 3_665
Sb2 F6 1.8423 .
Sb2 F9 1.8542 .
Sb2 F9 1.8542 3_665
F9 F10 1.7712 3_665
F10 F9 1.7712 3_665
Sb3 F14 1.770(16) .
Sb3 F16 1.78(2) .
Sb3 F13 1.79(3) .
Sb3 F17 1.799(17) .
Sb3 F12 1.806(19) .
Sb3 F15 1.83(3) .
N10 C47 1.1990 .
C47 C48 1.6613 .
C48 H48A 0.9801 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 C50 1.3900 .
C49 C54 1.3900 .
C49 H49 0.9500 .
C50 C51 1.3900 .
C50 H50 0.9500 .
C51 C52 1.3900 .
C51 H51 0.9500 .
C52 C53 1.3900 .
C52 H52 0.9500 .
C53 C54 1.3900 .
C53 H53 0.9500 .
C54 H54 0.9500 .
C55 C56 1.28(2) .
C55 C60 1.33(3) .
C55 H55 0.9500 .
C56 C57 1.43(3) .
C56 H56 0.9500 .
C57 C58 1.38(3) .
C57 H57 0.9500 .
C58 C59 1.43(4) .
C58 H58 0.9500 .
C59 C60 1.38(3) .
C59 H59 0.9500 .
C60 H60 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_4
N1 C1 C2 C3 -0.3(10) . .
C1 C2 C3 C4 -0.9(10) . .
C2 C3 C4 C5 176.1(9) . .
C2 C3 C4 N1 1.8(9) . .
N1 C4 C5 C6 -7.4(14) . .
C3 C4 C5 C6 179.1(8) . .
N1 C4 C5 C10 172.9(7) . .
C3 C4 C5 C10 -0.6(13) . .
C4 C5 C6 N2 -2.1(13) . .
C10 C5 C6 N2 177.6(7) . .
C4 C5 C6 C7 -176.6(9) . .
C10 C5 C6 C7 3.1(13) . .
C5 C6 C7 C8 175.6(9) . .
N2 C6 C7 C8 0.5(10) . .
C6 C7 C8 C9 -0.2(10) . .
C7 C8 C9 N2 -0.2(11) . .
C4 C5 C10 C14 -103.8(10) . .
C6 C5 C10 C14 76.5(11) . .
C4 C5 C10 C11 74.3(11) . .
C6 C5 C10 C11 -105.4(9) . .
C14 C10 C11 C12 1.0(14) . .
C5 C10 C11 C12 -177.2(9) . .
C10 C11 C12 N3 0.0(16) . .
N3 C13 C14 C10 -0.8(18) . .
C11 C10 C14 C13 -0.6(15) . .
C5 C10 C14 C13 177.5(9) . .
N4 C15 C16 C17 1.0(11) . .
C15 C16 C17 C18 -1.5(11) . .
C16 C17 C18 N4 1.6(11) . .
C16 C17 C18 C19 -179.2(9) . .
N4 C18 C19 C20 -5.8(15) . .
C17 C18 C19 C20 175.1(10) . .
N4 C18 C19 C24 177.0(8) . .
C17 C18 C19 C24 -2.1(14) . .
C18 C19 C20 N5 -3.1(15) . .
C24 C19 C20 N5 173.9(8) . .
C18 C19 C20 C21 178.2(10) . .
C24 C19 C20 C21 -4.8(15) . .
C19 C20 C21 C22 179.9(10) . .
N5 C20 C21 C22 1.1(11) . .
C20 C21 C22 C23 -0.3(12) . .
C21 C22 C23 N5 -0.6(12) . .
C20 C19 C24 C28 102.5(13) . .
C18 C19 C24 C28 -80.1(12) . .
C20 C19 C24 C25 -74.6(13) . .
C18 C19 C24 C25 102.8(12) . .
C28 C24 C25 C26 5.2(18) . .
C19 C24 C25 C26 -177.6(11) . .
C24 C25 C26 N6 0(2) . .
N6 C27 C28 C24 1(2) . .
C25 C24 C28 C27 -5.8(17) . .
C19 C24 C28 C27 177.1(11) . .
N7 C29 C30 C31 1.3(11) . .
C29 C30 C31 C32 -0.7(11) . .
C30 C31 C32 C33 -179.0(9) . .
C30 C31 C32 N7 0.0(11) . .
C31 C32 C33 C34 170.9(9) . .
N7 C32 C33 C34 -8.1(14) . .
C31 C32 C33 C38 -10.5(14) . .
N7 C32 C33 C38 170.6(8) . .
C32 C33 C34 N8 0.5(14) . .
C38 C33 C34 N8 -178.2(8) . .
C32 C33 C34 C35 -178.6(9) . .
C38 C33 C34 C35 2.7(14) . .
C33 C34 C35 C36 176.7(10) . .
N8 C34 C35 C36 -2.5(11) . .
C34 C35 C36 C37 3.3(13) . .
C35 C36 C37 N8 -3.1(14) . .
C34 C33 C38 C42 76(2) . .
C32 C33 C38 C42 -103(2) . .
C34 C33 C38 C46 107(3) . .
C32 C33 C38 C46 -72(3) . .
C34 C33 C38 C39 -110.2(13) . .
C32 C33 C38 C39 71.0(14) . .
C34 C33 C38 C43 -62(2) . .
C32 C33 C38 C43 120(2) . .
C42 C38 C39 C40 -4(3) . .
C46 C38 C39 C40 -29(2) . .
C43 C38 C39 C40 75(2) . .
C33 C38 C39 C40 -178.3(12) . .
C38 C39 C40 N9 -3(2) . .
C46 C38 C42 C41 59(4) . .
C39 C38 C42 C41 2(4) . .
C43 C38 C42 C41 -40(4) . .
C33 C38 C42 C41 176(2) . .
N9 C41 C42 C38 9(5) . .
C42 C38 C43 C44 33(4) . .
C46 C38 C43 C44 2(4) . .
C39 C38 C43 C44 -87(4) . .
C33 C38 C43 C44 173(3) . .
C38 C43 C44 N9 10(5) . .
C42 C38 C46 C45 -99(7) . .
C39 C38 C46 C45 35(5) . .
C43 C38 C46 C45 -8(5) . .
C33 C38 C46 C45 -178(3) . .
N9 C45 C46 C38 -2(6) . .
C2 C1 N1 C4 1.4(9) . .
C2 C1 N1 Fe1 179.0(5) . .
C5 C4 N1 C1 -176.5(8) . .
C3 C4 N1 C1 -1.9(9) . .
C5 C4 N1 Fe1 5.8(12) . .
C3 C4 N1 Fe1 -179.6(5) . .
N4 Fe1 N1 C1 101.0(7) . .
N7 Fe1 N1 C1 7.6(7) . .
N5 Fe1 N1 C1 -46(6) . .
N2 Fe1 N1 C1 -175.0(7) . .
N8 Fe1 N1 C1 -83.2(7) . .
N4 Fe1 N1 C4 -81.9(7) . .
N7 Fe1 N1 C4 -175.2(7) . .
N5 Fe1 N1 C4 131(6) . .
N2 Fe1 N1 C4 2.2(7) . .
N8 Fe1 N1 C4 93.9(7) . .
C8 C9 N2 C6 0.4(10) . .
C8 C9 N2 Fe1 171.8(6) . .
C5 C6 N2 C9 -176.1(8) . .
C7 C6 N2 C9 -0.5(9) . .
C5 C6 N2 Fe1 12.4(11) . .
C7 C6 N2 Fe1 -172.0(5) . .
N4 Fe1 N2 C9 -90.1(7) . .
N7 Fe1 N2 C9 -34(4) . .
N1 Fe1 N2 C9 179.5(7) . .
N5 Fe1 N2 C9 1.8(7) . .
N8 Fe1 N2 C9 94.4(7) . .
N4 Fe1 N2 C6 79.6(6) . .
N7 Fe1 N2 C6 136(4) . .
N1 Fe1 N2 C6 -10.7(6) . .
N5 Fe1 N2 C6 171.5(7) . .
N8 Fe1 N2 C6 -95.9(7) . .
C14 C13 N3 C12 1.7(17) . .
C14 C13 N3 Ag1 173.3(9) . .
C11 C12 N3 C13 -1.3(16) . .
C11 C12 N3 Ag1 -173.0(8) . .
N9 Ag1 N3 C13 -34.4(9) 1_556 .
N6 Ag1 N3 C13 162.0(9) 1_455 .
N10 Ag1 N3 C13 63.7(8) . .
N9 Ag1 N3 C12 136.9(8) 1_556 .
N6 Ag1 N3 C12 -26.8(8) 1_455 .
N10 Ag1 N3 C12 -125.0(8) . .
C16 C15 N4 C18 0.0(10) . .
C16 C15 N4 Fe1 166.6(6) . .
C19 C18 N4 C15 179.8(8) . .
C17 C18 N4 C15 -1.0(10) . .
C19 C18 N4 Fe1 13.5(12) . .
C17 C18 N4 Fe1 -167.2(6) . .
N7 Fe1 N4 C15 100.1(7) . .
N1 Fe1 N4 C15 7.6(7) . .
N5 Fe1 N4 C15 -174.0(7) . .
N2 Fe1 N4 C15 -83.9(7) . .
N8 Fe1 N4 C15 -36(3) . .
N7 Fe1 N4 C18 -96.2(7) . .
N1 Fe1 N4 C18 171.3(7) . .
N5 Fe1 N4 C18 -10.3(7) . .
N2 Fe1 N4 C18 79.8(7) . .
N8 Fe1 N4 C18 128(3) . .
C22 C23 N5 C20 1.3(11) . .
C22 C23 N5 Fe1 177.1(7) . .
C19 C20 N5 C23 179.7(9) . .
C21 C20 N5 C23 -1.4(10) . .
C19 C20 N5 Fe1 3.8(13) . .
C21 C20 N5 Fe1 -177.3(6) . .
N4 Fe1 N5 C23 -173.1(8) . .
N7 Fe1 N5 C23 -79.9(8) . .
N1 Fe1 N5 C23 -26(6) . .
N2 Fe1 N5 C23 102.9(8) . .
N8 Fe1 N5 C23 11.0(8) . .
N4 Fe1 N5 C20 2.0(7) . .
N7 Fe1 N5 C20 95.1(7) . .
N1 Fe1 N5 C20 149(6) . .
N2 Fe1 N5 C20 -82.1(7) . .
N8 Fe1 N5 C20 -174.0(7) . .
C28 C27 N6 C26 5(2) . .
C28 C27 N6 Ag1 -171.8(11) . 1_655
C25 C26 N6 C27 -5(2) . .
C25 C26 N6 Ag1 171.2(10) . 1_655
C30 C29 N7 C32 -1.2(10) . .
C30 C29 N7 Fe1 -179.8(6) . .
C31 C32 N7 C29 0.8(10) . .
C33 C32 N7 C29 179.9(8) . .
C31 C32 N7 Fe1 179.3(6) . .
C33 C32 N7 Fe1 -1.6(13) . .
N4 Fe1 N7 C29 14.5(8) . .
N1 Fe1 N7 C29 105.2(8) . .
N5 Fe1 N7 C29 -77.2(8) . .
N2 Fe1 N7 C29 -42(4) . .
N8 Fe1 N7 C29 -169.7(8) . .
N4 Fe1 N7 C32 -163.8(8) . .
N1 Fe1 N7 C32 -73.1(8) . .
N5 Fe1 N7 C32 104.6(8) . .
N2 Fe1 N7 C32 140(4) . .
N8 Fe1 N7 C32 12.1(8) . .
C36 C37 N8 C34 1.5(12) . .
C36 C37 N8 Fe1 166.8(8) . .
C33 C34 N8 C37 -178.6(9) . .
C35 C34 N8 C37 0.6(10) . .
C33 C34 N8 Fe1 16.1(13) . .
C35 C34 N8 Fe1 -164.7(6) . .
N4 Fe1 N8 C37 -45(3) . .
N7 Fe1 N8 C37 178.8(8) . .
N1 Fe1 N8 C37 -88.9(8) . .
N5 Fe1 N8 C37 92.9(8) . .
N2 Fe1 N8 C37 2.6(8) . .
N4 Fe1 N8 C34 118(3) . .
N7 Fe1 N8 C34 -18.7(7) . .
N1 Fe1 N8 C34 73.7(7) . .
N5 Fe1 N8 C34 -104.5(7) . .
N2 Fe1 N8 C34 165.1(7) . .
C46 C45 N9 C40 -33(4) . .
C46 C45 N9 C44 18(5) . .
C46 C45 N9 C41 66(7) . .
C46 C45 N9 Ag1 178(3) . 1_554
C39 C40 N9 C45 38(3) . .
C39 C40 N9 C44 -83(2) . .
C39 C40 N9 C41 12(2) . .
C39 C40 N9 Ag1 -176.0(12) . 1_554
C43 C44 N9 C45 -22(5) . .
C43 C44 N9 C40 62(3) . .
C43 C44 N9 C41 -41(4) . .
C43 C44 N9 Ag1 177(2) . 1_554
C42 C41 N9 C45 -105(8) . .
C42 C41 N9 C40 -15(4) . .
C42 C41 N9 C44 35(4) . .
C42 C41 N9 Ag1 173(3) . 1_554
F7 Sb2 F9 F10 -56.4 . 3_665
F7 Sb2 F9 F10 123.6 3_665 3_665
F10 Sb2 F9 F10 180.0 . 3_665
F8 Sb2 F9 F10 59.7 3_665 3_665
F8 Sb2 F9 F10 -120.3 . 3_665
F11 Sb2 F9 F10 83.4 . 3_665
F11 Sb2 F9 F10 -96.6 3_665 3_665
F6 Sb2 F9 F10 -163.6 3_665 3_665
F6 Sb2 F9 F10 16.4 . 3_665
F9 Sb2 F9 F10 -122.7 3_665 3_665
F7 Sb2 F10 F9 94.5 . 3_665
F7 Sb2 F10 F9 -85.5 3_665 3_665
F10 Sb2 F10 F9 18.0 3_665 3_665
F8 Sb2 F10 F9 -111.8 3_665 3_665
F8 Sb2 F10 F9 68.2 . 3_665
F11 Sb2 F10 F9 -96.5 . 3_665
F11 Sb2 F10 F9 83.5 3_665 3_665
F6 Sb2 F10 F9 160.8 3_665 3_665
F6 Sb2 F10 F9 -19.2 . 3_665
F9 Sb2 F10 F9 180.0 . 3_665
N9 Ag1 N10 C47 115.12(19) 1_556 .
N6 Ag1 N10 C47 -92.2(2) 1_455 .
N3 Ag1 N10 C47 5.8(2) . .
Ag1 N10 C47 C48 143.418(18) . .
C54 C49 C50 C51 0.0 . .
C49 C50 C51 C52 0.0 . .
C50 C51 C52 C53 0.0 . .
C51 C52 C53 C54 0.0 . .
C52 C53 C54 C49 0.0 . .
C50 C49 C54 C53 0.0 . .
C60 C55 C56 C57 -4(4) . .
C55 C56 C57 C58 1(4) . .
C56 C57 C58 C59 -3(4) . .
C57 C58 C59 C60 8(5) . .
C56 C55 C60 C59 10(4) . .
C58 C59 C60 C55 -12(5) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.000 0.500 0.000 421.7 91.4
2 0.000 1.000 0.500 421.7 90.8
