#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:15:01 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178695 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/06/4080644.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_4080644
loop_
_publ_author_name
'Kriechbaum, Margit'
'Hölbling, Johanna'
'Stammler, Hans-Georg'
'List, Manuela'
'Berger, Raphael J. F.'
'Monkowius, Uwe'
_publ_section_title
;
 Unprecedented Large Temperature Dependence of Silver(I)--Silver(I)
 Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2876
_journal_paper_doi               10.1021/om300932r
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C58 H106 Ag3 F18 N12 O Sb3'
_chemical_formula_weight         2018.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'APEX2 v2010.1-2'
_cell_angle_alpha                90
_cell_angle_beta                 105.631(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.970(2)
_cell_length_b                   15.7974(12)
_cell_length_c                   21.8435(17)
_cell_measurement_temperature    200.(2)
_cell_volume                     8297.7(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200.(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'SMART X2S'
_diffrn_measurement_method       omega-scan
_diffrn_radiation_monochromator  'doubly curved silicon crystal'
_diffrn_radiation_source         'sealed MicroFocus tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_sigmaI/netI    0.0428
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            52791
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.33
_exptl_absorpt_coefficient_mu    1.739
_exptl_absorpt_correction_T_max  0.61
_exptl_absorpt_correction_T_min  0.35
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4008
_exptl_crystal_size_max          0.77
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.31
_refine_diff_density_max         1.269
_refine_diff_density_min         -0.845
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     924
_refine_ls_number_reflns         14594
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0697
_refine_ls_R_factor_gt           0.0428
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0590P)²+4.8593P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1094
_refine_ls_wR_factor_ref         0.1195
_reflns_number_gt                10100
_reflns_number_total             14594
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300932r_si_002.cif
_cod_data_source_block           iPr2Im2AgSbF6_200K
_cod_database_code               4080644
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag2 0.218351(16) 0.44255(2) 0.03318(2) 0.04895(13) Uani d . 1.0 . .
Sb Sb3 0.071048(16) 0.20097(2) 0.13769(2) 0.05416(12) Uani d . 1.0 . .
Sb Sb1 0.251586(16) 0.69163(3) 0.24868(2) 0.07084(15) Uani d . 1.0 . .
Ag Ag4 1.0 0.68735(3) 0.25 0.03785(14) Uani d S 1.0 . .
Ag Ag3 0.5 0.69550(3) 0.25 0.05022(16) Uani d S 1.0 . .
Ag Ag1 0.250502(16) 0.02099(3) 0.500091(19) 0.05018(12) Uani d . 1.0 . .
Sb Sb2 0.439434(16) 0.20736(2) 0.36909(2) 0.05696(12) Uani d . 1.0 . .
F F12A 0.3857(5) 0.2132(18) 0.2953(5) 0.124(7) Uani d P 0.66(5) A 7
F F12B 0.3878(18) 0.151(4) 0.3030(18) 0.175(17) Uani d P 0.34(5) A 8
F F8 0.4936(2) 0.2289(4) 0.3277(4) 0.173(3) Uani d . 1.0 A .
F F11 0.38811(18) 0.1863(3) 0.4144(2) 0.0950(13) Uani d . 1.0 A .
F F4 0.23644(18) 0.7755(2) 0.1870(2) 0.0977(13) Uani d . 1.0 . .
F F5 0.17673(15) 0.6930(2) 0.2490(2) 0.0979(15) Uani d . 1.0 . .
F F2 0.32619(15) 0.6896(2) 0.2480(3) 0.1071(16) Uani d . 1.0 . .
F F6 0.23552(17) 0.6089(3) 0.1856(3) 0.1218(19) Uani d . 1.0 . .
F F1 0.2662(2) 0.6090(3) 0.3103(3) 0.137(2) Uani d . 1.0 . .
F F3 0.26828(18) 0.7766(3) 0.3097(2) 0.1023(14) Uani d . 1.0 . .
N N12 0.95843(16) 0.8727(2) 0.25589(17) 0.0352(9) Uani d . 1.0 . .
N N11 0.95748(16) 0.5019(2) 0.2516(2) 0.0452(11) Uani d . 1.0 . .
N N9 0.49573(18) 0.5123(2) 0.1998(2) 0.0470(11) Uani d . 1.0 . .
N N10 0.53954(17) 0.8787(2) 0.23961(19) 0.0424(10) Uani d . 1.0 . .
N N8 0.32026(17) 0.3845(3) 0.1401(2) 0.0497(11) Uani d . 1.0 . .
N N5 0.0950(2) 0.4391(3) -0.0437(2) 0.0603(13) Uani d . 1.0 . .
N N3 0.18987(17) 0.1108(3) 0.3763(2) 0.0480(11) Uani d . 1.0 . .
N N4 0.13004(17) 0.0546(3) 0.4190(2) 0.0455(10) Uani d . 1.0 . .
N N1 0.37122(16) -0.0200(2) 0.57561(19) 0.0426(10) Uani d . 1.0 . .
N N2 0.31393(18) -0.0735(3) 0.6215(2) 0.0509(11) Uani d . 1.0 . .
C C52 1.0 0.8207(4) 0.25 0.0369(16) Uani d S 1.0 . .
C C56 0.9743(2) 0.9561(3) 0.2539(2) 0.0426(12) Uani d . 1.0 . .
H H56 0.9528 1.0045 0.2575 0.051 Uiso calc R 1.0 . .
C C53 0.9049(2) 0.8446(3) 0.2643(2) 0.0445(12) Uani d . 1.0 . .
H H53 0.9011 0.7824 0.256 0.053 Uiso calc R 1.0 . .
C C54 0.9039(3) 0.8610(5) 0.3326(3) 0.083(2) Uani d . 1.0 . .
H H54A 0.9342 0.8297 0.3616 0.124 Uiso calc R 1.0 . .
H H54B 0.8682 0.8422 0.3385 0.124 Uiso calc R 1.0 . .
H H54C 0.9085 0.9217 0.3417 0.124 Uiso calc R 1.0 . .
C C55 0.8576(2) 0.8895(4) 0.2178(4) 0.083(2) Uani d . 1.0 . .
H H55A 0.8598 0.9504 0.2269 0.124 Uiso calc R 1.0 . .
H H55B 0.8221 0.8675 0.222 0.124 Uiso calc R 1.0 . .
H H55C 0.8603 0.8798 0.1744 0.124 Uiso calc R 1.0 . .
C C47 1.0 0.5540(4) 0.25 0.0395(17) Uani d S 1.0 . .
C C50 0.9014(2) 0.5286(3) 0.2539(3) 0.0503(14) Uani d . 1.0 . .
H H50 0.8989 0.5913 0.2478 0.06 Uiso calc R 1.0 . .
C C51 0.8921(3) 0.5094(4) 0.3174(3) 0.081(2) Uani d . 1.0 . .
H H51A 0.892 0.4479 0.3235 0.122 Uiso calc R 1.0 . .
H H51B 0.8563 0.5329 0.3193 0.122 Uiso calc R 1.0 . .
H H51C 0.922 0.5348 0.351 0.122 Uiso calc R 1.0 . .
C C49 0.8578(2) 0.4887(4) 0.1999(3) 0.0726(19) Uani d . 1.0 . .
H H49A 0.8675 0.4984 0.1599 0.109 Uiso calc R 1.0 . .
H H49B 0.8215 0.5142 0.1975 0.109 Uiso calc R 1.0 . .
H H49C 0.8562 0.4277 0.2074 0.109 Uiso calc R 1.0 . .
C C48 0.9734(2) 0.4181(3) 0.2510(3) 0.0583(16) Uani d . 1.0 . .
H H48 0.9509 0.3698 0.2519 0.07 Uiso calc R 1.0 . .
C C37 0.5 0.5634(4) 0.25 0.0516(19) Uani d S 1.0 . .
C C38 0.4973(2) 0.4288(3) 0.2184(3) 0.0518(14) Uani d . 1.0 . .
H H38 0.4951 0.3805 0.1919 0.062 Uiso calc R 1.0 . .
C C39 0.4918(3) 0.5437(4) 0.1342(3) 0.0653(17) Uani d . 1.0 . .
H H39 0.4765 0.6024 0.1318 0.078 Uiso calc R 1.0 . .
C C40 0.4510(4) 0.4928(6) 0.0859(4) 0.111(3) Uani d . 1.0 . .
H H40A 0.4637 0.4339 0.0875 0.167 Uiso calc R 1.0 . .
H H40B 0.4479 0.516 0.0434 0.167 Uiso calc R 1.0 . .
H H40C 0.4146 0.4949 0.0948 0.167 Uiso calc R 1.0 . .
C C41 0.5473(3) 0.5505(6) 0.1229(4) 0.111(3) Uani d . 1.0 . .
H H41A 0.5705 0.5888 0.1544 0.166 Uiso calc R 1.0 . .
H H41B 0.5435 0.5729 0.0801 0.166 Uiso calc R 1.0 . .
H H41C 0.5647 0.4944 0.1268 0.166 Uiso calc R 1.0 . .
C C42 0.5 0.8276(4) 0.25 0.0454(18) Uani d S 1.0 . .
C C44 0.5909(2) 0.8485(3) 0.2264(3) 0.0513(14) Uani d . 1.0 . .
H H44 0.5979 0.7895 0.2432 0.062 Uiso calc R 1.0 . .
C C46 0.5832(4) 0.8455(6) 0.1546(4) 0.121(4) Uani d . 1.0 . .
H H46A 0.5527 0.8069 0.1351 0.182 Uiso calc R 1.0 . .
H H46B 0.6176 0.8253 0.146 0.182 Uiso calc R 1.0 . .
H H46C 0.5745 0.9023 0.1367 0.182 Uiso calc R 1.0 . .
C C45 0.6400(3) 0.9026(5) 0.2601(4) 0.097(3) Uani d . 1.0 . .
H H45A 0.6333 0.9614 0.2458 0.145 Uiso calc R 1.0 . .
H H45B 0.6737 0.8816 0.2502 0.145 Uiso calc R 1.0 . .
H H45C 0.6449 0.8999 0.3061 0.145 Uiso calc R 1.0 . .
C C43 0.5248(2) 0.9623(3) 0.2438(2) 0.0434(12) Uani d . 1.0 . .
H H43 0.5459 1.0106 0.2388 0.052 Uiso calc R 1.0 . .
C C28 0.2945(2) 0.3863(3) 0.0770(3) 0.0459(13) Uani d . 1.0 . .
C C34 0.3005(2) 0.4316(4) 0.1874(3) 0.0617(16) Uani d . 1.0 . .
H H34 0.2754 0.4776 0.1647 0.074 Uiso calc R 1.0 . .
C C36 0.2672(4) 0.3762(5) 0.2187(4) 0.107(3) Uani d . 1.0 . .
H H36A 0.2908 0.3303 0.2414 0.161 Uiso calc R 1.0 . .
H H36B 0.2358 0.3522 0.1864 0.161 Uiso calc R 1.0 . .
H H36C 0.2533 0.4098 0.2489 0.161 Uiso calc R 1.0 . .
C C35 0.3495(3) 0.4734(5) 0.2352(4) 0.094(3) Uani d . 1.0 . .
H H35A 0.3742 0.4296 0.2591 0.141 Uiso calc R 1.0 . .
H H35B 0.3356 0.5085 0.2646 0.141 Uiso calc R 1.0 . .
H H35C 0.37 0.5089 0.2125 0.141 Uiso calc R 1.0 . .
C C29 0.3662(2) 0.3322(3) 0.1526(3) 0.0551(15) Uani d . 1.0 . .
H H29 0.3908 0.3206 0.1932 0.066 Uiso calc R 1.0 . .
C C30 0.3696(2) 0.3011(3) 0.0974(3) 0.0556(15) Uani d . 1.0 . .
H H30 0.397 0.263 0.091 0.067 Uiso calc R 1.0 . .
N N7 0.32545(18) 0.3347(3) 0.0509(2) 0.0522(12) Uani d . 1.0 . .
C C31 0.3129(3) 0.3144(4) -0.0177(3) 0.0645(16) Uani d . 1.0 . .
H H31 0.2839 0.3553 -0.0408 0.077 Uiso calc R 1.0 . .
C C33 0.3641(4) 0.3283(6) -0.0410(4) 0.107(3) Uani d . 1.0 . .
H H33A 0.3804 0.3835 -0.0263 0.161 Uiso calc R 1.0 . .
H H33B 0.3536 0.3268 -0.0876 0.161 Uiso calc R 1.0 . .
H H33C 0.3913 0.2836 -0.0243 0.161 Uiso calc R 1.0 . .
C C32 0.2878(4) 0.2250(5) -0.0299(4) 0.113(3) Uani d . 1.0 . .
H H32A 0.3165 0.1828 -0.0119 0.17 Uiso calc R 1.0 . .
H H32B 0.2735 0.2157 -0.0758 0.17 Uiso calc R 1.0 . .
H H32C 0.2573 0.2194 -0.0098 0.17 Uiso calc R 1.0 . .
C C19 0.1395(2) 0.4875(3) -0.0129(3) 0.0502(14) Uani d . 1.0 . .
C C20 0.0513(3) 0.4899(5) -0.0739(3) 0.077(2) Uani d . 1.0 . .
H H20 0.0161 0.4713 -0.0992 0.093 Uiso calc R 1.0 . .
C C21 0.0673(3) 0.5701(4) -0.0611(3) 0.074(2) Uani d . 1.0 . .
H H21 0.0457 0.6194 -0.0752 0.089 Uiso calc R 1.0 . .
N N6 0.12107(19) 0.5675(3) -0.0237(2) 0.0590(13) Uani d . 1.0 . .
C C22 0.1552(3) 0.6437(4) 0.0021(3) 0.0721(19) Uani d . 1.0 . .
H H22 0.1939 0.6246 0.0234 0.086 Uiso calc R 1.0 . .
C C23 0.1312(4) 0.6856(5) 0.0519(4) 0.103(3) Uani d . 1.0 . .
H H23A 0.0938 0.7071 0.0314 0.154 Uiso calc R 1.0 . .
H H23B 0.1552 0.7327 0.0717 0.154 Uiso calc R 1.0 . .
H H23C 0.1291 0.644 0.0844 0.154 Uiso calc R 1.0 . .
C C24 0.1576(4) 0.7041(5) -0.0508(4) 0.116(3) Uani d . 1.0 . .
H H24A 0.1713 0.6741 -0.0828 0.175 Uiso calc R 1.0 . .
H H24B 0.1829 0.751 -0.0333 0.175 Uiso calc R 1.0 . .
H H24C 0.1204 0.7265 -0.0705 0.175 Uiso calc R 1.0 . .
C C25 0.0956(3) 0.3472(4) -0.0435(3) 0.073(2) Uani d . 1.0 . .
H H25 0.1198 0.3282 -0.0014 0.088 Uiso calc R 1.0 . .
C C27 0.0381(3) 0.3099(5) -0.0513(4) 0.113(3) Uani d . 1.0 . .
H H27A 0.0213 0.3353 -0.0199 0.169 Uiso calc R 1.0 . .
H H27B 0.0411 0.2486 -0.0447 0.169 Uiso calc R 1.0 . .
H H27C 0.0147 0.3219 -0.0942 0.169 Uiso calc R 1.0 . .
C C26 0.1212(4) 0.3155(4) -0.0940(4) 0.101(3) Uani d . 1.0 . .
H H26A 0.1031 0.3429 -0.1346 0.152 Uiso calc R 1.0 . .
H H26B 0.1161 0.2541 -0.0984 0.152 Uiso calc R 1.0 . .
H H26C 0.161 0.3289 -0.082 0.152 Uiso calc R 1.0 . .
C C10 0.1850(2) 0.0643(3) 0.4257(3) 0.0480(13) Uani d . 1.0 . .
C C12 0.1370(2) 0.1312(3) 0.3378(3) 0.0516(14) Uani d . 1.0 . .
H H12 0.1287 0.1636 0.2998 0.062 Uiso calc R 1.0 . .
C C11 0.1002(2) 0.0964(3) 0.3650(3) 0.0513(14) Uani d . 1.0 . .
H H11 0.0608 0.0998 0.3499 0.062 Uiso calc R 1.0 . .
C C16 0.1062(2) 0.0069(4) 0.4640(3) 0.0589(15) Uani d . 1.0 . .
H H16 0.1357 -0.0325 0.4882 0.071 Uiso calc R 1.0 . .
C C17 0.0580(3) -0.0466(4) 0.4294(4) 0.092(2) Uani d . 1.0 . .
H H17A 0.0457 -0.0818 0.46 0.139 Uiso calc R 1.0 . .
H H17B 0.0694 -0.083 0.3989 0.139 Uiso calc R 1.0 . .
H H17C 0.0274 -0.0099 0.4068 0.139 Uiso calc R 1.0 . .
C C18 0.0929(3) 0.0648(4) 0.5103(3) 0.087(2) Uani d . 1.0 . .
H H18A 0.1251 0.1012 0.5284 0.131 Uiso calc R 1.0 . .
H H18B 0.0839 0.0321 0.5443 0.131 Uiso calc R 1.0 . .
H H18C 0.061 0.0999 0.489 0.131 Uiso calc R 1.0 . .
C C13 0.2446(2) 0.1311(4) 0.3648(3) 0.0629(16) Uani d . 1.0 . .
H H13 0.2717 0.1397 0.4073 0.075 Uiso calc R 1.0 . .
C C15 0.2421(3) 0.2109(5) 0.3290(4) 0.101(3) Uani d . 1.0 . .
H H15A 0.2193 0.2027 0.2853 0.151 Uiso calc R 1.0 . .
H H15B 0.2798 0.2276 0.3285 0.151 Uiso calc R 1.0 . .
H H15C 0.2257 0.2553 0.3495 0.151 Uiso calc R 1.0 . .
C C14 0.2643(3) 0.0567(5) 0.3346(4) 0.099(3) Uani d . 1.0 . .
H H14A 0.2669 0.0071 0.3621 0.149 Uiso calc R 1.0 . .
H H14B 0.301 0.0692 0.3285 0.149 Uiso calc R 1.0 . .
H H14C 0.2379 0.0452 0.2933 0.149 Uiso calc R 1.0 . .
C C1 0.3168(2) -0.0247(3) 0.5721(3) 0.0446(12) Uani d . 1.0 . .
C C7 0.3942(2) 0.0285(3) 0.5310(3) 0.0481(13) Uani d . 1.0 . .
H H7 0.3644 0.0677 0.5071 0.058 Uiso calc R 1.0 . .
C C8 0.4092(3) -0.0286(4) 0.4836(3) 0.087(2) Uani d . 1.0 . .
H H8A 0.4367 -0.0702 0.5059 0.131 Uiso calc R 1.0 . .
H H8B 0.425 0.0051 0.455 0.131 Uiso calc R 1.0 . .
H H8C 0.3759 -0.058 0.4588 0.131 Uiso calc R 1.0 . .
C C9 0.4425(3) 0.0820(5) 0.5663(3) 0.083(2) Uani d . 1.0 . .
H H9A 0.4301 0.1218 0.594 0.125 Uiso calc R 1.0 . .
H H9B 0.4572 0.1136 0.5357 0.125 Uiso calc R 1.0 . .
H H9C 0.4717 0.0455 0.592 0.125 Uiso calc R 1.0 . .
C C3 0.4023(2) -0.0666(3) 0.6256(2) 0.0465(13) Uani d . 1.0 . .
H H3 0.4416 -0.0733 0.6373 0.056 Uiso calc R 1.0 . .
C C2 0.3669(2) -0.1008(3) 0.6547(3) 0.0527(14) Uani d . 1.0 . .
H H2 0.376 -0.1367 0.691 0.063 Uiso calc R 1.0 . .
C C4 0.2610(3) -0.0968(4) 0.6366(4) 0.077(2) Uani d . 1.0 . .
H H4 0.2787 -0.1144 0.6815 0.092 Uiso calc R 1.0 . .
C C5A 0.2405(4) -0.1710(6) 0.6172(9) 0.252(10) Uani d . 1.0 . .
H H5A1 0.2058 -0.164 0.5835 0.378 Uiso calc R 1.0 . .
H H5A2 0.233 -0.202 0.6529 0.378 Uiso calc R 1.0 . .
H H5A3 0.2672 -0.2028 0.6006 0.378 Uiso calc R 1.0 . .
C C6 0.2321(3) -0.0218(4) 0.6529(3) 0.0691(17) Uani d . 1.0 . .
H H6A 0.2202 0.015 0.6156 0.104 Uiso calc R 1.0 . .
H H6B 0.2575 0.0094 0.6876 0.104 Uiso calc R 1.0 . .
H H6C 0.1996 -0.0401 0.6664 0.104 Uiso calc R 1.0 . .
F F15A 0.0780(11) 0.1556(13) 0.0697(5) 0.258(17) Uani d P 0.521(14) B 1
F F20A 0.0324(4) 0.1965(13) 0.1950(5) 0.151(7) Uani d P 0.521(14) B 1
F F15B 0.0190(8) 0.1569(19) 0.0737(8) 0.280(15) Uani d P 0.479(14) B 2
F F20B 0.0426(7) 0.1105(13) 0.1617(12) 0.248(15) Uani d P 0.479(14) B 2
F F14 0.1092(4) 0.2600(5) 0.2068(4) 0.285(6) Uani d . 1.0 B .
F F13 0.1294(3) 0.1319(6) 0.1813(3) 0.221(4) Uani d . 1.0 B .
F F7A 0.4369(9) 0.3215(7) 0.3853(10) 0.156(8) Uani d P 0.51(2) A 5
F F10A 0.4540(15) 0.1018(14) 0.378(2) 0.36(3) Uani d P 0.51(2) A 5
F F7B 0.4095(15) 0.309(2) 0.345(2) 0.34(2) Uani d P 0.49(2) A 6
F F10B 0.4576(6) 0.0924(7) 0.3619(8) 0.096(5) Uani d P 0.49(2) A 6
F F9 0.4945(3) 0.2121(6) 0.4447(4) 0.220(4) Uani d . 1.0 A .
F F21 0.0218(5) 0.2762(7) 0.1045(4) 0.357(8) Uani d . 1.0 B .
F F18 0.1140(4) 0.2388(12) 0.0935(6) 0.417(11) Uani d . 1.0 B .
C C102 0.2933(6) 0.5629(6) -0.0845(6) 0.167(5) Uani d . 1.0 . .
H H10C 0.2544 0.5808 -0.0932 0.25 Uiso calc R 1.0 . .
H H10D 0.2962 0.5024 -0.0745 0.25 Uiso calc R 1.0 . .
H H10E 0.3066 0.5735 -0.1221 0.25 Uiso calc R 1.0 . .
C C104 0.3377(9) 0.6833(12) 0.0548(11) 0.296(11) Uiso d D 1.0 . .
H H10F 0.3721 0.6987 0.0433 0.355 Uiso calc R 1.0 . .
H H10G 0.3478 0.6455 0.0923 0.355 Uiso calc R 1.0 . .
C C105 0.3111(7) 0.7595(11) 0.0703(8) 0.270(8) Uiso d D 1.0 . .
H H10H 0.3001 0.796 0.0327 0.405 Uiso calc R 1.0 . .
H H10I 0.3372 0.79 0.1048 0.405 Uiso calc R 1.0 . .
H H10J 0.278 0.7439 0.0838 0.405 Uiso calc R 1.0 . .
C C106 0.3241(6) 0.6067(11) -0.0354(7) 0.195(7) Uani d . 1.0 . .
H H10K 0.3534 0.568 -0.0113 0.234 Uiso calc R 1.0 . .
H H10L 0.3431 0.6517 -0.0531 0.234 Uiso calc R 1.0 . .
O O1 0.3022(4) 0.6420(7) 0.0050(5) 0.200(4) Uani d . 1.0 . .
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'
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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C19 Ag2 C28 . . 174.73(19)
F15A Sb3 F21 . . 98.7(5)
F15A Sb3 F18 . . 55.6(10)
F21 Sb3 F18 . . 90.3(6)
F15A Sb3 F20B . . 93.6(16)
F21 Sb3 F20B . . 113.0(8)
F18 Sb3 F20B . . 144.8(13)
F15A Sb3 F15B . . 51.1(8)
F21 Sb3 F15B . . 69.6(11)
F18 Sb3 F15B . . 97.4(8)
F20B Sb3 F15B . . 69.1(9)
F15A Sb3 F20A . . 143.3(13)
F21 Sb3 F20A . . 82.1(6)
F18 Sb3 F20A . . 160.5(9)
F20B Sb3 F20A . . 53.9(9)
F15B Sb3 F20A . . 96.8(7)
F15A Sb3 F14 . . 142.3(11)
F21 Sb3 F14 . . 98.7(5)
F18 Sb3 F14 . . 91.2(7)
F20B Sb3 F14 . . 109.8(9)
F15B Sb3 F14 . . 165.4(9)
F20A Sb3 F14 . . 72.4(6)
F15A Sb3 F13 . . 87.1(5)
F21 Sb3 F13 . . 171.8(6)
F18 Sb3 F13 . . 88.3(5)
F20B Sb3 F13 . . 72.1(6)
F15B Sb3 F13 . . 118.6(11)
F20A Sb3 F13 . . 96.6(5)
F14 Sb3 F13 . . 73.3(4)
F1 Sb1 F4 . . 179.4(2)
F1 Sb1 F3 . . 91.5(3)
F4 Sb1 F3 . . 88.1(2)
F1 Sb1 F6 . . 90.2(3)
F4 Sb1 F6 . . 90.2(2)
F3 Sb1 F6 . . 178.1(2)
F1 Sb1 F2 . . 89.6(2)
F4 Sb1 F2 . . 90.9(2)
F3 Sb1 F2 . . 89.2(2)
F6 Sb1 F2 . . 89.9(2)
F1 Sb1 F5 . . 90.4(2)
F4 Sb1 F5 . . 89.2(2)
F3 Sb1 F5 . . 91.2(2)
F6 Sb1 F5 . . 89.68(19)
F2 Sb1 F5 . . 179.6(2)
C52 Ag4 C47 . . 180.0000(10)
C42 Ag3 C37 . . 180.0000(10)
C1 Ag1 C10 . . 178.1(2)
F10A Sb2 F7B . . 166.(3)
F10A Sb2 F12A . . 103.9(19)
F7B Sb2 F12A . . 63.(2)
F10A Sb2 F7A . . 161.9(18)
F7B Sb2 F7A . . 31.1(17)
F12A Sb2 F7A . . 93.8(11)
F10A Sb2 F9 . . 81.3(15)
F7B Sb2 F9 . . 112.(2)
F12A Sb2 F9 . . 174.7(10)
F7A Sb2 F9 . . 81.0(8)
F10A Sb2 F11 . . 85.3(7)
F7B Sb2 F11 . . 91.1(8)
F12A Sb2 F11 . . 91.8(5)
F7A Sb2 F11 . . 90.5(6)
F9 Sb2 F11 . . 89.1(3)
F10A Sb2 F8 . . 94.4(7)
F7B Sb2 F8 . . 89.9(8)
F12A Sb2 F8 . . 91.1(5)
F7A Sb2 F8 . . 88.9(6)
F9 Sb2 F8 . . 87.9(4)
F11 Sb2 F8 . . 177.0(3)
F10A Sb2 F12B . . 73.(3)
F7B Sb2 F12B . . 93.(3)
F12A Sb2 F12B . . 31.3(15)
F7A Sb2 F12B . . 124.(2)
F9 Sb2 F12B . . 154.(2)
F11 Sb2 F12B . . 84.0(9)
F8 Sb2 F12B . . 98.8(9)
F10A Sb2 F10B . . 12.1(13)
F7B Sb2 F10B . . 158.(2)
F12A Sb2 F10B . . 96.5(9)
F7A Sb2 F10B . . 168.1(8)
F9 Sb2 F10B . . 88.6(6)
F11 Sb2 F10B . . 95.1(5)
F8 Sb2 F10B . . 85.0(5)
F12B Sb2 F10B . . 67.(2)
C52 N12 C56 . . 109.9(4)
C52 N12 C53 . . 125.2(4)
C56 N12 C53 . . 124.9(4)
C47 N11 C48 . . 110.7(4)
C47 N11 C50 . . 125.9(4)
C48 N11 C50 . . 123.4(4)
C37 N9 C38 . . 110.2(5)
C37 N9 C39 . . 123.7(4)
C38 N9 C39 . . 126.1(4)
C42 N10 C43 . . 110.1(4)
C42 N10 C44 . . 124.0(4)
C43 N10 C44 . . 125.9(4)
C28 N8 C29 . . 110.8(5)
C28 N8 C34 . . 123.3(4)
C29 N8 C34 . . 125.9(5)
C19 N5 C20 . . 110.2(5)
C19 N5 C25 . . 123.5(5)
C20 N5 C25 . . 126.2(5)
C10 N3 C12 . . 109.6(4)
C10 N3 C13 . . 122.8(4)
C12 N3 C13 . . 127.6(5)
C10 N4 C11 . . 109.7(5)
C10 N4 C16 . . 124.3(4)
C11 N4 C16 . . 126.0(5)
C1 N1 C3 . . 111.3(5)
C1 N1 C7 . . 124.1(4)
C3 N1 C7 . . 124.6(4)
C1 N2 C2 . . 110.3(4)
C1 N2 C4 . . 124.2(5)
C2 N2 C4 . . 125.5(5)
N12 C52 N12 . 2_755 105.5(5)
N12 C52 Ag4 . . 127.2(3)
N12 C52 Ag4 2_755 . 127.2(3)
C56 C56 N12 2_755 . 107.3(3)
C56 C56 H56 2_755 . 126.4
N12 C56 H56 . . 126.4
N12 C53 C55 . . 110.3(4)
N12 C53 C54 . . 109.2(4)
C55 C53 C54 . . 111.2(5)
N12 C53 H53 . . 108.7
C55 C53 H53 . . 108.7
C54 C53 H53 . . 108.7
C53 C54 H54A . . 109.5
C53 C54 H54B . . 109.5
H54A C54 H54B . . 109.5
C53 C54 H54C . . 109.5
H54A C54 H54C . . 109.5
H54B C54 H54C . . 109.5
C53 C55 H55A . . 109.5
C53 C55 H55B . . 109.5
H55A C55 H55B . . 109.5
C53 C55 H55C . . 109.5
H55A C55 H55C . . 109.5
H55B C55 H55C . . 109.5
N11 C47 N11 2_755 . 105.0(5)
N11 C47 Ag4 2_755 . 127.5(3)
N11 C47 Ag4 . . 127.5(3)
N11 C50 C51 . . 111.0(4)
N11 C50 C49 . . 110.2(5)
C51 C50 C49 . . 112.3(5)
N11 C50 H50 . . 107.7
C51 C50 H50 . . 107.7
C49 C50 H50 . . 107.7
C50 C51 H51A . . 109.5
C50 C51 H51B . . 109.5
H51A C51 H51B . . 109.5
C50 C51 H51C . . 109.5
H51A C51 H51C . . 109.5
H51B C51 H51C . . 109.5
C50 C49 H49A . . 109.5
C50 C49 H49B . . 109.5
H49A C49 H49B . . 109.5
C50 C49 H49C . . 109.5
H49A C49 H49C . . 109.5
H49B C49 H49C . . 109.5
C48 C48 N11 2_755 . 106.8(3)
C48 C48 H48 2_755 . 126.6
N11 C48 H48 . . 126.6
N9 C37 N9 2_655 . 106.1(6)
N9 C37 Ag3 2_655 . 126.9(3)
N9 C37 Ag3 . . 126.9(3)
C38 C38 N9 2_655 . 106.8(3)
C38 C38 H38 2_655 . 126.6
N9 C38 H38 . . 126.6
C41 C39 C40 . . 114.5(7)
C41 C39 N9 . . 111.3(5)
C40 C39 N9 . . 110.9(5)
C41 C39 H39 . . 106.6
C40 C39 H39 . . 106.6
N9 C39 H39 . . 106.6
C39 C40 H40A . . 109.5
C39 C40 H40B . . 109.5
H40A C40 H40B . . 109.5
C39 C40 H40C . . 109.5
H40A C40 H40C . . 109.5
H40B C40 H40C . . 109.5
C39 C41 H41A . . 109.5
C39 C41 H41B . . 109.5
H41A C41 H41B . . 109.5
C39 C41 H41C . . 109.5
H41A C41 H41C . . 109.5
H41B C41 H41C . . 109.5
N10 C42 N10 2_655 . 106.0(6)
N10 C42 Ag3 2_655 . 127.0(3)
N10 C42 Ag3 . . 127.0(3)
N10 C44 C45 . . 110.9(5)
N10 C44 C46 . . 109.7(5)
C45 C44 C46 . . 112.1(6)
N10 C44 H44 . . 108.0
C45 C44 H44 . . 108.0
C46 C44 H44 . . 108.0
C44 C46 H46A . . 109.5
C44 C46 H46B . . 109.5
H46A C46 H46B . . 109.5
C44 C46 H46C . . 109.5
H46A C46 H46C . . 109.5
H46B C46 H46C . . 109.5
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
C43 C43 N10 2_655 . 106.9(3)
C43 C43 H43 2_655 . 126.5
N10 C43 H43 . . 126.5
N7 C28 N8 . . 104.4(4)
N7 C28 Ag2 . . 128.2(4)
N8 C28 Ag2 . . 127.0(4)
N8 C34 C36 . . 111.1(5)
N8 C34 C35 . . 110.0(5)
C36 C34 C35 . . 112.5(6)
N8 C34 H34 . . 107.7
C36 C34 H34 . . 107.7
C35 C34 H34 . . 107.7
C34 C36 H36A . . 109.5
C34 C36 H36B . . 109.5
H36A C36 H36B . . 109.5
C34 C36 H36C . . 109.5
H36A C36 H36C . . 109.5
H36B C36 H36C . . 109.5
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
C30 C29 N8 . . 107.2(5)
C30 C29 H29 . . 126.4
N8 C29 H29 . . 126.4
C29 C30 N7 . . 107.0(5)
C29 C30 H30 . . 126.5
N7 C30 H30 . . 126.5
C28 N7 C30 . . 110.7(5)
C28 N7 C31 . . 124.7(4)
C30 N7 C31 . . 124.6(5)
N7 C31 C33 . . 110.0(5)
N7 C31 C32 . . 109.9(5)
C33 C31 C32 . . 114.6(6)
N7 C31 H31 . . 107.4
C33 C31 H31 . . 107.4
C32 C31 H31 . . 107.4
C31 C33 H33A . . 109.5
C31 C33 H33B . . 109.5
H33A C33 H33B . . 109.5
C31 C33 H33C . . 109.5
H33A C33 H33C . . 109.5
H33B C33 H33C . . 109.5
C31 C32 H32A . . 109.5
C31 C32 H32B . . 109.5
H32A C32 H32B . . 109.5
C31 C32 H32C . . 109.5
H32A C32 H32C . . 109.5
H32B C32 H32C . . 109.5
N6 C19 N5 . . 104.2(4)
N6 C19 Ag2 . . 129.9(4)
N5 C19 Ag2 . . 125.8(4)
C21 C20 N5 . . 107.4(5)
C21 C20 H20 . . 126.3
N5 C20 H20 . . 126.3
C20 C21 N6 . . 106.6(5)
C20 C21 H21 . . 126.7
N6 C21 H21 . . 126.7
C19 N6 C21 . . 111.6(5)
C19 N6 C22 . . 123.9(5)
C21 N6 C22 . . 124.5(5)
N6 C22 C24 . . 110.9(6)
N6 C22 C23 . . 109.0(6)
C24 C22 C23 . . 112.0(6)
N6 C22 H22 . . 108.3
C24 C22 H22 . . 108.3
C23 C22 H22 . . 108.3
C22 C23 H23A . . 109.5
C22 C23 H23B . . 109.5
H23A C23 H23B . . 109.5
C22 C23 H23C . . 109.5
H23A C23 H23C . . 109.5
H23B C23 H23C . . 109.5
C22 C24 H24A . . 109.5
C22 C24 H24B . . 109.5
H24A C24 H24B . . 109.5
C22 C24 H24C . . 109.5
H24A C24 H24C . . 109.5
H24B C24 H24C . . 109.5
N5 C25 C26 . . 109.7(6)
N5 C25 C27 . . 112.3(6)
C26 C25 C27 . . 111.4(6)
N5 C25 H25 . . 107.7
C26 C25 H25 . . 107.7
C27 C25 H25 . . 107.7
C25 C27 H27A . . 109.5
C25 C27 H27B . . 109.5
H27A C27 H27B . . 109.5
C25 C27 H27C . . 109.5
H27A C27 H27C . . 109.5
H27B C27 H27C . . 109.5
C25 C26 H26A . . 109.5
C25 C26 H26B . . 109.5
H26A C26 H26B . . 109.5
C25 C26 H26C . . 109.5
H26A C26 H26C . . 109.5
H26B C26 H26C . . 109.5
N3 C10 N4 . . 106.6(4)
N3 C10 Ag1 . . 125.9(4)
N4 C10 Ag1 . . 127.5(4)
C11 C12 N3 . . 106.8(5)
C11 C12 H12 . . 126.6
N3 C12 H12 . . 126.6
C12 C11 N4 . . 107.4(5)
C12 C11 H11 . . 126.3
N4 C11 H11 . . 126.3
C18 C16 N4 . . 110.2(5)
C18 C16 C17 . . 113.6(6)
N4 C16 C17 . . 111.3(5)
C18 C16 H16 . . 107.2
N4 C16 H16 . . 107.2
C17 C16 H16 . . 107.2
C16 C17 H17A . . 109.5
C16 C17 H17B . . 109.5
H17A C17 H17B . . 109.5
C16 C17 H17C . . 109.5
H17A C17 H17C . . 109.5
H17B C17 H17C . . 109.5
C16 C18 H18A . . 109.5
C16 C18 H18B . . 109.5
H18A C18 H18B . . 109.5
C16 C18 H18C . . 109.5
H18A C18 H18C . . 109.5
H18B C18 H18C . . 109.5
C15 C13 N3 . . 111.4(5)
C15 C13 C14 . . 114.2(7)
N3 C13 C14 . . 109.4(5)
C15 C13 H13 . . 107.2
N3 C13 H13 . . 107.2
C14 C13 H13 . . 107.2
C13 C15 H15A . . 109.5
C13 C15 H15B . . 109.5
H15A C15 H15B . . 109.5
C13 C15 H15C . . 109.5
H15A C15 H15C . . 109.5
H15B C15 H15C . . 109.5
C13 C14 H14A . . 109.5
C13 C14 H14B . . 109.5
H14A C14 H14B . . 109.5
C13 C14 H14C . . 109.5
H14A C14 H14C . . 109.5
H14B C14 H14C . . 109.5
N1 C1 N2 . . 105.0(4)
N1 C1 Ag1 . . 127.6(4)
N2 C1 Ag1 . . 127.0(4)
N1 C7 C8 . . 111.1(4)
N1 C7 C9 . . 110.8(5)
C8 C7 C9 . . 112.1(6)
N1 C7 H7 . . 107.5
C8 C7 H7 . . 107.5
C9 C7 H7 . . 107.5
C7 C8 H8A . . 109.5
C7 C8 H8B . . 109.5
H8A C8 H8B . . 109.5
C7 C8 H8C . . 109.5
H8A C8 H8C . . 109.5
H8B C8 H8C . . 109.5
C7 C9 H9A . . 109.5
C7 C9 H9B . . 109.5
H9A C9 H9B . . 109.5
C7 C9 H9C . . 109.5
H9A C9 H9C . . 109.5
H9B C9 H9C . . 109.5
C2 C3 N1 . . 106.9(5)
C2 C3 H3 . . 126.5
N1 C3 H3 . . 126.5
C3 C2 N2 . . 106.5(5)
C3 C2 H2 . . 126.7
N2 C2 H2 . . 126.7
C5A C4 C6 . . 128.6(7)
C5A C4 N2 . . 116.3(6)
C6 C4 N2 . . 111.9(5)
C5A C4 H4 . . 95.8
C6 C4 H4 . . 95.8
N2 C4 H4 . . 95.8
C4 C5A H5A1 . . 109.5
C4 C5A H5A2 . . 109.5
H5A1 C5A H5A2 . . 109.5
C4 C5A H5A3 . . 109.5
H5A1 C5A H5A3 . . 109.5
H5A2 C5A H5A3 . . 109.5
C4 C6 H6A . . 109.5
C4 C6 H6B . . 109.5
H6A C6 H6B . . 109.5
C4 C6 H6C . . 109.5
H6A C6 H6C . . 109.5
H6B C6 H6C . . 109.5
F18 F15A Sb3 . . 63.2(6)
F15A F18 Sb3 . . 61.2(7)
C106 C102 H10C . . 109.5
C106 C102 H10D . . 109.5
H10C C102 H10D . . 109.5
C106 C102 H10E . . 109.5
H10C C102 H10E . . 109.5
H10D C102 H10E . . 109.5
O1 C104 C105 . . 109.9(17)
O1 C104 H10F . . 109.7
C105 C104 H10F . . 109.7
O1 C104 H10G . . 109.7
C105 C104 H10G . . 109.7
H10F C104 H10G . . 108.2
C104 C105 H10H . . 109.5
C104 C105 H10I . . 109.5
H10H C105 H10I . . 109.5
C104 C105 H10J . . 109.5
H10H C105 H10J . . 109.5
H10I C105 H10J . . 109.5
O1 C106 C102 . . 121.3(15)
O1 C106 H10K . . 107.0
C102 C106 H10K . . 107.0
O1 C106 H10L . . 107.0
C102 C106 H10L . . 107.0
H10K C106 H10L . . 106.7
C106 O1 C104 . . 116.7(14)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Ag2 C19 . 2.079(5)
Ag2 C28 . 2.083(5)
Sb3 F15A . 1.700(9)
Sb3 F21 . 1.723(5)
Sb3 F18 . 1.732(8)
Sb3 F20B . 1.739(8)
Sb3 F15B . 1.775(11)
Sb3 F20A . 1.776(9)
Sb3 F14 . 1.811(7)
Sb3 F13 . 1.864(5)
Sb1 F1 . 1.839(5)
Sb1 F4 . 1.854(4)
Sb1 F3 . 1.859(4)
Sb1 F6 . 1.863(4)
Sb1 F2 . 1.867(4)
Sb1 F5 . 1.871(4)
Ag4 C52 . 2.107(6)
Ag4 C47 . 2.107(6)
Ag3 C42 . 2.087(7)
Ag3 C37 . 2.087(7)
Ag1 C1 . 2.082(5)
Ag1 C10 . 2.086(5)
Sb2 F10A . 1.71(2)
Sb2 F7B . 1.782(15)
Sb2 F12A . 1.800(10)
Sb2 F7A . 1.843(10)
Sb2 F9 . 1.844(6)
Sb2 F11 . 1.848(4)
Sb2 F8 . 1.849(5)
Sb2 F12B . 1.88(2)
Sb2 F10B . 1.888(12)
N12 C52 . 1.356(5)
N12 C56 . 1.380(5)
N12 C53 . 1.466(6)
N11 C47 . 1.351(5)
N11 C48 . 1.383(6)
N11 C50 . 1.477(6)
N9 C37 . 1.343(6)
N9 C38 . 1.378(6)
N9 C39 . 1.493(7)
N10 C42 . 1.341(5)
N10 C43 . 1.381(6)
N10 C44 . 1.467(6)
N8 C28 . 1.355(6)
N8 C29 . 1.381(6)
N8 C34 . 1.463(7)
N5 C19 . 1.367(6)
N5 C20 . 1.373(7)
N5 C25 . 1.452(7)
N3 C10 . 1.338(7)
N3 C12 . 1.399(6)
N3 C13 . 1.489(7)
N4 C10 . 1.350(6)
N4 C11 . 1.382(6)
N4 C16 . 1.485(7)
N1 C1 . 1.342(6)
N1 C3 . 1.372(6)
N1 C7 . 1.472(7)
N2 C1 . 1.343(7)
N2 C2 . 1.395(6)
N2 C4 . 1.493(7)
C52 N12 2_755 1.356(5)
C56 C56 2_755 1.339(10)
C56 H56 . 0.95
C53 C55 . 1.512(7)
C53 C54 . 1.520(8)
C53 H53 . 1.0
C54 H54A . 0.98
C54 H54B . 0.98
C54 H54C . 0.98
C55 H55A . 0.98
C55 H55B . 0.98
C55 H55C . 0.98
C47 N11 2_755 1.351(5)
C50 C51 . 1.497(9)
C50 C49 . 1.510(7)
C50 H50 . 1.0
C51 H51A . 0.98
C51 H51B . 0.98
C51 H51C . 0.98
C49 H49A . 0.98
C49 H49B . 0.98
C49 H49C . 0.98
C48 C48 2_755 1.343(11)
C48 H48 . 0.95
C37 N9 2_655 1.343(6)
C38 C38 2_655 1.351(11)
C38 H38 . 0.95
C39 C41 . 1.476(10)
C39 C40 . 1.490(9)
C39 H39 . 1.0
C40 H40A . 0.98
C40 H40B . 0.98
C40 H40C . 0.98
C41 H41A . 0.98
C41 H41B . 0.98
C41 H41C . 0.98
C42 N10 2_655 1.341(5)
C44 C45 . 1.514(8)
C44 C46 . 1.529(9)
C44 H44 . 1.0
C46 H46A . 0.98
C46 H46B . 0.98
C46 H46C . 0.98
C45 H45A . 0.98
C45 H45B . 0.98
C45 H45C . 0.98
C43 C43 2_655 1.338(10)
C43 H43 . 0.95
C28 N7 . 1.352(7)
C34 C36 . 1.492(9)
C34 C35 . 1.528(8)
C34 H34 . 1.0
C36 H36A . 0.98
C36 H36B . 0.98
C36 H36C . 0.98
C35 H35A . 0.98
C35 H35B . 0.98
C35 H35C . 0.98
C29 C30 . 1.325(8)
C29 H29 . 0.95
C30 N7 . 1.388(6)
C30 H30 . 0.95
N7 C31 . 1.479(7)
C31 C33 . 1.514(10)
C31 C32 . 1.540(9)
C31 H31 . 1.0
C33 H33A . 0.98
C33 H33B . 0.98
C33 H33C . 0.98
C32 H32A . 0.98
C32 H32B . 0.98
C32 H32C . 0.98
C19 N6 . 1.344(6)
C20 C21 . 1.336(9)
C20 H20 . 0.95
C21 N6 . 1.372(7)
C21 H21 . 0.95
N6 C22 . 1.494(7)
C22 C24 . 1.512(9)
C22 C23 . 1.527(10)
C22 H22 . 1.0
C23 H23A . 0.98
C23 H23B . 0.98
C23 H23C . 0.98
C24 H24A . 0.98
C24 H24B . 0.98
C24 H24C . 0.98
C25 C26 . 1.501(10)
C25 C27 . 1.519(10)
C25 H25 . 1.0
C27 H27A . 0.98
C27 H27B . 0.98
C27 H27C . 0.98
C26 H26A . 0.98
C26 H26B . 0.98
C26 H26C . 0.98
C12 C11 . 1.338(8)
C12 H12 . 0.95
C11 H11 . 0.95
C16 C18 . 1.466(9)
C16 C17 . 1.497(8)
C16 H16 . 1.0
C17 H17A . 0.98
C17 H17B . 0.98
C17 H17C . 0.98
C18 H18A . 0.98
C18 H18B . 0.98
C18 H18C . 0.98
C13 C15 . 1.475(8)
C13 C14 . 1.494(9)
C13 H13 . 1.0
C15 H15A . 0.98
C15 H15B . 0.98
C15 H15C . 0.98
C14 H14A . 0.98
C14 H14B . 0.98
C14 H14C . 0.98
C7 C8 . 1.496(8)
C7 C9 . 1.504(7)
C7 H7 . 1.0
C8 H8A . 0.98
C8 H8B . 0.98
C8 H8C . 0.98
C9 H9A . 0.98
C9 H9B . 0.98
C9 H9C . 0.98
C3 C2 . 1.334(8)
C3 H3 . 0.95
C2 H2 . 0.95
C4 C5A . 1.303(10)
C4 C6 . 1.479(8)
C4 H4 . 1.0
C5A H5A1 . 0.98
C5A H5A2 . 0.98
C5A H5A3 . 0.98
C6 H6A . 0.98
C6 H6B . 0.98
C6 H6C . 0.98
F15A F18 . 1.60(3)
C102 C106 . 1.332(15)
C102 H10C . 0.98
C102 H10D . 0.98
C102 H10E . 0.98
C104 O1 . 1.37(2)
C104 C105 . 1.459(9)
C104 H10F . 0.99
C104 H10G . 0.99
C105 H10H . 0.98
C105 H10I . 0.98
C105 H10J . 0.98
C106 O1 . 1.285(14)
C106 H10K . 0.99
C106 H10L . 0.99
