#------------------------------------------------------------------------------
#$Date: 2019-11-23 11:53:11 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233179 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/86/4348610.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_4348610
loop_
_publ_author_name
'Ooi, Shota'
'Tanaka, Takayuki'
'Osuka, Atsuhiro'
_publ_section_title
;
 Metal Complexes of meso-meso Linked Corrole Dimers.
;
_journal_issue                   17
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8920
_journal_page_last               8927
_journal_paper_doi               10.1021/acs.inorgchem.6b01422
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety
'2(C62 H16 Ag2 F20 N8), 2.5(C7 H16), 2(C4 H8 O)'
_chemical_formula_sum            'C149.5 H88 Ag4 F40 N16 O2'
_chemical_formula_weight         3331.83
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 95.135(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   21.351(2)
_cell_length_b                   31.898(3)
_cell_length_c                   41.764(5)
_cell_measurement_reflns_used    7001
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      25.2
_cell_volume                     28329(5)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.0878
_diffrn_reflns_av_unetI/netI     0.0672
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            92867
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        65.997
_diffrn_reflns_theta_max         65.997
_diffrn_reflns_theta_min         6.563
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    5.354
_exptl_absorpt_correction_T_max  0.898
_exptl_absorpt_correction_T_min  0.879
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.562
_exptl_crystal_description       prism
_exptl_crystal_F_000             13288
_exptl_crystal_size_max          0.030
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_refine_diff_density_max         2.337
_refine_diff_density_min         -1.289
_refine_diff_density_rms         0.117
_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     2406
_refine_ls_number_reflns         24450
_refine_ls_number_restraints     1663
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.1256
_refine_ls_R_factor_gt           0.0774
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1130P)²+163.5012P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2024
_refine_ls_wR_factor_ref         0.2431
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14971
_reflns_number_total             24450
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            revised-5Ag.cif
_cod_data_source_block           151203ta
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C149.50 H88 Ag4 F40 N16 O2'
_cod_database_code               4348610
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.856
_shelx_estimated_absorpt_t_max   0.900
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8908(5) 0.3113(3) 0.3918(2) 0.074(3) Uani 1 1 d . . . . .
C2 C 0.9310(5) 0.2870(4) 0.4140(3) 0.083(3) Uani 1 1 d . . . . .
H1 H 0.9534 0.2622 0.4096 0.099 Uiso 1 1 calc R U . . .
C3 C 0.9301(6) 0.3073(4) 0.4431(2) 0.098(4) Uani 1 1 d . . . . .
H2 H 0.9535 0.2987 0.4623 0.117 Uiso 1 1 calc R U . . .
C4 C 0.8900(6) 0.3428(4) 0.4407(3) 0.084(3) Uani 1 1 d . . . . .
C5 C 0.8689(6) 0.3723(4) 0.4628(2) 0.090(4) Uani 1 1 d . . . . .
C6 C 0.8262(7) 0.4044(4) 0.4544(3) 0.096(4) Uani 1 1 d . . . . .
C7 C 0.8027(7) 0.4339(5) 0.4758(3) 0.107(4) Uani 1 1 d . . . . .
H3 H 0.8144 0.4359 0.4982 0.128 Uiso 1 1 calc R U . . .
C8 C 0.7613(8) 0.4586(5) 0.4588(3) 0.112(5) Uani 1 1 d . . . . .
H4 H 0.7376 0.4803 0.4676 0.135 Uiso 1 1 calc R U . . .
C9 C 0.7582(7) 0.4473(4) 0.4252(3) 0.102(4) Uani 1 1 d . . . . .
C10 C 0.7232(7) 0.4631(4) 0.3991(3) 0.094(3) Uani 1 1 d . . . . .
C11 C 0.7192(6) 0.4485(3) 0.3670(3) 0.090(3) Uani 1 1 d . . . . .
C12 C 0.6829(6) 0.4628(3) 0.3397(3) 0.088(3) Uani 1 1 d . . . . .
H5 H 0.6547 0.4859 0.3392 0.105 Uiso 1 1 calc R U . . .
C13 C 0.6941(5) 0.4391(3) 0.3144(3) 0.075(3) Uani 1 1 d . . . . .
H6 H 0.6747 0.4421 0.2931 0.090 Uiso 1 1 calc R U . . .
C14 C 0.7402(5) 0.4088(3) 0.3250(2) 0.068(2) Uani 1 1 d . . . . .
C15 C 0.7646(5) 0.3759(3) 0.3065(2) 0.067(2) Uani 1 1 d . . . . .
C16 C 0.8077(5) 0.3453(3) 0.3193(2) 0.063(2) Uani 1 1 d . . . . .
C17 C 0.8366(4) 0.3098(2) 0.3053(2) 0.061(2) Uani 1 1 d . . . . .
H7 H 0.8305 0.3016 0.2834 0.073 Uiso 1 1 calc R U . . .
C18 C 0.8745(5) 0.2897(3) 0.3289(2) 0.071(3) Uani 1 1 d . . . . .
H8 H 0.8996 0.2656 0.3262 0.085 Uiso 1 1 calc R U . . .
C19 C 0.8687(5) 0.3124(3) 0.3583(2) 0.068(2) Uani 1 1 d . . . . .
N1 N 0.8682(4) 0.3436(3) 0.4084(2) 0.082(2) Uani 1 1 d . . . . .
N2 N 0.7989(5) 0.4134(3) 0.4249(2) 0.089(3) Uani 1 1 d . . . . .
N3 N 0.7556(4) 0.4155(2) 0.3577(2) 0.077(2) Uani 1 1 d . . . . .
N4 N 0.8301(4) 0.3448(2) 0.35063(18) 0.069(2) Uani 1 1 d . . . . .
Ag1 Ag 0.81162(4) 0.38124(2) 0.38577(2) 0.0740(2) Uani 1 1 d . . . . .
C20 C 0.8975(7) 0.3678(4) 0.4969(3) 0.100(4) Uani 1 1 d . . . . .
C21 C 0.8641(8) 0.3492(5) 0.5201(3) 0.113(4) Uani 1 1 d . . . . .
C22 C 0.8875(8) 0.3490(5) 0.5519(3) 0.115(5) Uani 1 1 d . . . . .
C23 C 0.9446(8) 0.3682(6) 0.5613(3) 0.119(5) Uani 1 1 d . . . . .
C24 C 0.9766(7) 0.3860(5) 0.5394(3) 0.111(5) Uani 1 1 d . . . . .
F1 F 0.8106(5) 0.3298(3) 0.51156(18) 0.149(4) Uani 1 1 d . . . . .
F2 F 0.8543(5) 0.3291(3) 0.57388(18) 0.156(4) Uani 1 1 d . . . . .
F3 F 0.9664(5) 0.3660(4) 0.59295(17) 0.157(4) Uani 1 1 d . . . . .
F4 F 1.0315(4) 0.4040(3) 0.54917(16) 0.133(3) Uani 1 1 d . . . . .
F5 F 0.9860(3) 0.4077(3) 0.48729(14) 0.110(2) Uani 1 1 d . . . . .
C25 C 0.9537(6) 0.3864(4) 0.5072(3) 0.095(4) Uani 1 1 d . . . . .
C26 C 0.6936(11) 0.5020(6) 0.4069(6) 0.125(8) Uani 0.628(16) 1 d G U P A 7
C27 C 0.7177(10) 0.5405(7) 0.3983(5) 0.111(7) Uani 0.628(16) 1 d G U P A 7
C28 C 0.6870(12) 0.5774(6) 0.4053(5) 0.129(7) Uani 0.628(16) 1 d G U P A 7
C29 C 0.6321(12) 0.5758(7) 0.4209(6) 0.163(8) Uani 0.628(16) 1 d G U P A 7
C30 C 0.6080(11) 0.5373(8) 0.4295(6) 0.177(8) Uani 0.628(16) 1 d G U P A 7
C31 C 0.6387(12) 0.5004(6) 0.4225(6) 0.159(8) Uani 0.628(16) 1 d G U P A 7
F6 F 0.7687(10) 0.5434(7) 0.3816(5) 0.110(7) Uani 0.628(16) 1 d . U P A 7
F7 F 0.7049(10) 0.6144(4) 0.3969(3) 0.123(5) Uani 0.628(16) 1 d . U P A 7
F8 F 0.6078(15) 0.6117(6) 0.4293(6) 0.232(10) Uani 0.628(16) 1 d . U P A 7
F9 F 0.5777(17) 0.5369(10) 0.4575(9) 0.276(13) Uani 0.628(16) 1 d . U P A 7
F10 F 0.6009(9) 0.4551(6) 0.4232(4) 0.153(7) Uani 0.628(16) 1 d . U P A 7
C32 C 0.7551(5) 0.4443(3) 0.2055(3) 0.075(3) Uani 1 1 d . . . . .
C33 C 0.7919(5) 0.4671(3) 0.2283(3) 0.075(3) Uani 1 1 d . . . . .
H9 H 0.8119 0.4932 0.2251 0.090 Uiso 1 1 calc R U . . .
C34 C 0.7938(5) 0.4449(3) 0.2563(3) 0.073(3) Uani 1 1 d . . . . .
H10 H 0.8163 0.4531 0.2759 0.087 Uiso 1 1 calc R U . . .
C35 C 0.7567(5) 0.4073(3) 0.2517(2) 0.068(2) Uani 1 1 d . . . . .
C36 C 0.7415(4) 0.3737(3) 0.2721(2) 0.062(2) Uani 1 1 d . . . . .
C37 C 0.7052(4) 0.3390(2) 0.2612(2) 0.056(2) Uani 1 1 d . . . . .
C38 C 0.6866(4) 0.3038(2) 0.2805(2) 0.059(2) Uani 1 1 d . . . . .
H11 H 0.6973 0.3000 0.3029 0.071 Uiso 1 1 calc R U . . .
C39 C 0.6516(4) 0.2777(3) 0.2612(2) 0.059(2) Uani 1 1 d . . . . .
H12 H 0.6335 0.2522 0.2676 0.071 Uiso 1 1 calc R U . . .
C40 C 0.6459(4) 0.2947(2) 0.2293(2) 0.056(2) Uani 1 1 d . . . . .
C41 C 0.6122(4) 0.2790(3) 0.2016(2) 0.057(2) Uani 1 1 d . . . . .
C42 C 0.6040(4) 0.2990(3) 0.1714(2) 0.066(2) Uani 1 1 d . . . . .
C43 C 0.5690(5) 0.2846(4) 0.1427(3) 0.080(3) Uani 1 1 d . . . . .
H13 H 0.5463 0.2591 0.1402 0.096 Uiso 1 1 calc R U . . .
C44 C 0.5742(5) 0.3143(4) 0.1199(3) 0.085(3) Uani 1 1 d . . . . .
H14 H 0.5549 0.3128 0.0985 0.102 Uiso 1 1 calc R U . . .
C45 C 0.6134(4) 0.3485(4) 0.1326(2) 0.072(3) Uani 1 1 d . . . . .
C46 C 0.6321(5) 0.3853(4) 0.1172(3) 0.081(3) Uani 1 1 d . . . . .
C47 C 0.6706(5) 0.4161(4) 0.1315(2) 0.075(3) Uani 1 1 d . . . . .
C48 C 0.6939(6) 0.4546(4) 0.1206(3) 0.097(4) Uani 1 1 d . . . . .
H15 H 0.6852 0.4657 0.0996 0.117 Uiso 1 1 calc R U . . .
C49 C 0.7309(6) 0.4736(4) 0.1451(3) 0.092(4) Uani 1 1 d . . . . .
H16 H 0.7525 0.4995 0.1440 0.110 Uiso 1 1 calc R U . . .
C50 C 0.7304(5) 0.4467(3) 0.1728(3) 0.072(3) Uani 1 1 d . . . . .
C51 C 0.5817(4) 0.2370(3) 0.2046(2) 0.060(2) Uani 1 1 d . . . . .
C52 C 0.6165(4) 0.2003(3) 0.2050(2) 0.069(2) Uani 1 1 d . . . . .
C53 C 0.5902(4) 0.1614(3) 0.2068(2) 0.066(2) Uani 1 1 d . . . . .
C54 C 0.5270(4) 0.1582(3) 0.2085(2) 0.060(2) Uani 1 1 d . . . . .
C55 C 0.4914(4) 0.1933(3) 0.2095(2) 0.059(2) Uani 1 1 d . . . . .
C56 C 0.5189(4) 0.2321(3) 0.20715(19) 0.0533(19) Uani 1 1 d . . . . .
N5 N 0.7339(4) 0.4087(2) 0.2197(2) 0.068(2) Uani 1 1 d . . . . .
N6 N 0.6801(3) 0.3312(2) 0.23036(16) 0.0568(16) Uani 1 1 d . . . . .
N7 N 0.6302(3) 0.3368(2) 0.16424(18) 0.0648(18) Uani 1 1 d . . . . .
N8 N 0.6941(4) 0.4131(3) 0.1625(2) 0.075(2) Uani 1 1 d . . . . .
Ag2 Ag 0.68264(3) 0.37021(2) 0.19448(2) 0.05942(19) Uani 1 1 d . . . . .
F11 F 0.4825(2) 0.26627(16) 0.20856(14) 0.0760(14) Uani 1 1 d . . . . .
F12 F 0.4297(2) 0.19011(17) 0.21326(14) 0.0763(14) Uani 1 1 d . . . . .
F13 F 0.5002(3) 0.12035(16) 0.20949(14) 0.0768(14) Uani 1 1 d . . . . .
F14 F 0.6255(3) 0.12662(17) 0.20659(17) 0.0877(17) Uani 1 1 d . . . . .
F15 F 0.6790(3) 0.20224(18) 0.20397(19) 0.0970(19) Uani 1 1 d . . . . .
C57 C 0.5975(8) 0.3807(7) 0.0799(3) 0.056(5) Uani 0.403(8) 1 d G U P B 1
C58 C 0.6356(6) 0.3759(9) 0.0548(4) 0.058(7) Uani 0.403(8) 1 d G U P B 1
C59 C 0.6094(8) 0.3773(8) 0.0231(4) 0.064(6) Uani 0.403(8) 1 d G U P B 1
C60 C 0.5451(8) 0.3835(6) 0.0165(3) 0.063(5) Uani 0.403(8) 1 d G U P B 1
C61 C 0.5070(6) 0.3883(6) 0.0416(3) 0.076(5) Uani 0.403(8) 1 d G U P B 1
C62 C 0.5332(7) 0.3869(6) 0.0732(3) 0.066(5) Uani 0.403(8) 1 d G U P B 1
F16 F 0.6716(9) 0.3451(6) 0.0643(4) 0.069(5) Uani 0.403(8) 1 d . U P B 1
F17 F 0.631(2) 0.3609(11) 0.0020(11) 0.097(9) Uani 0.403(8) 1 d . U P B 1
F18 F 0.5185(7) 0.3864(5) -0.0138(3) 0.086(5) Uani 0.403(8) 1 d . U P B 1
F19 F 0.4433(8) 0.3888(6) 0.0355(4) 0.104(5) Uani 0.403(8) 1 d . U P B 1
F20 F 0.4946(7) 0.3884(5) 0.0962(3) 0.089(5) Uani 0.403(8) 1 d . U P B 1
C63 C -0.0001(5) 0.4165(3) 0.33361(19) 0.062(2) Uani 1 1 d . . . . .
C64 C -0.0451(5) 0.3973(3) 0.3109(2) 0.071(3) Uani 1 1 d . . . . .
H17 H -0.0697 0.3733 0.3144 0.085 Uiso 1 1 calc R U . . .
C65 C -0.0461(5) 0.4204(3) 0.2829(2) 0.069(3) Uani 1 1 d . . . . .
H18 H -0.0723 0.4150 0.2637 0.083 Uiso 1 1 calc R U . . .
C66 C -0.0020(5) 0.4532(3) 0.2872(2) 0.064(2) Uani 1 1 d . . . . .
C67 C 0.0146(5) 0.4863(2) 0.2668(2) 0.060(2) Uani 1 1 d . . . . .
C68 C 0.0564(4) 0.5189(2) 0.2770(2) 0.058(2) Uani 1 1 d . . . . .
C69 C 0.0806(4) 0.5518(3) 0.2579(2) 0.061(2) Uani 1 1 d . . . . .
H19 H 0.0717 0.5554 0.2354 0.073 Uiso 1 1 calc R U . . .
C70 C 0.1184(4) 0.5768(3) 0.2777(2) 0.066(2) Uani 1 1 d . . . . .
H20 H 0.1400 0.6010 0.2714 0.079 Uiso 1 1 calc R U . . .
C71 C 0.1201(4) 0.5603(2) 0.3099(2) 0.0519(19) Uani 1 1 d . . . . .
C72 C 0.1517(4) 0.5764(2) 0.3383(2) 0.056(2) Uani 1 1 d . . . . .
C73 C 0.1546(4) 0.5582(2) 0.3690(2) 0.055(2) Uani 1 1 d . . . . .
C74 C 0.1855(4) 0.5724(3) 0.3991(2) 0.068(2) Uani 1 1 d . . . . .
H21 H 0.2089 0.5976 0.4020 0.082 Uiso 1 1 calc R U . . .
C75 C 0.1766(4) 0.5447(3) 0.4225(2) 0.066(2) Uani 1 1 d . . . . .
H22 H 0.1923 0.5469 0.4445 0.080 Uiso 1 1 calc R U . . .
C76 C 0.1392(4) 0.5115(3) 0.40830(19) 0.057(2) Uani 1 1 d . . . . .
C77 C 0.1174(4) 0.4757(3) 0.4235(2) 0.059(2) Uani 1 1 d . . . . .
C78 C 0.0781(4) 0.4445(3) 0.4087(2) 0.064(2) Uani 1 1 d . . . . .
C79 C 0.0486(4) 0.4082(3) 0.4203(2) 0.064(2) Uani 1 1 d . . . . .
H23 H 0.0517 0.3987 0.4419 0.077 Uiso 1 1 calc R U . . .
C80 C 0.0147(4) 0.3892(3) 0.3946(2) 0.064(2) Uani 1 1 d . . . . .
H24 H -0.0092 0.3642 0.3954 0.077 Uiso 1 1 calc R U . . .
C81 C 0.0218(5) 0.4138(3) 0.3666(2) 0.063(2) Uani 1 1 d . . . . .
N9 N 0.0263(4) 0.4489(2) 0.31782(16) 0.067(2) Uani 1 1 d . . . . .
N10 N 0.0833(3) 0.52534(19) 0.30827(16) 0.0553(16) Uani 1 1 d . . . . .
N11 N 0.1276(3) 0.52105(19) 0.37600(16) 0.0546(16) Uani 1 1 d . . . . .
N12 N 0.0611(4) 0.4461(2) 0.37625(16) 0.0643(19) Uani 1 1 d . . . . .
Ag3 Ag 0.07581(3) 0.48766(2) 0.34443(2) 0.05587(18) Uani 1 1 d . . . . .
C82 C 0.1333(5) 0.4700(3) 0.4591(2) 0.067(2) Uani 1 1 d . . . . .
C83 C 0.0984(5) 0.4889(4) 0.4810(2) 0.080(3) Uani 1 1 d . . . . .
C84 C 0.1096(7) 0.4809(5) 0.5143(3) 0.105(5) Uani 1 1 d . . . . .
C85 C 0.1606(8) 0.4550(5) 0.5246(3) 0.103(4) Uani 1 1 d . . . . .
C86 C 0.1970(7) 0.4382(4) 0.5034(3) 0.102(4) Uani 1 1 d . . . . .
C87 C 0.1822(6) 0.4457(4) 0.4710(3) 0.095(4) Uani 1 1 d . . . . .
F21 F 0.0511(3) 0.5140(3) 0.47123(14) 0.111(2) Uani 1 1 d . . . . .
F22 F 0.0756(4) 0.5002(4) 0.53472(15) 0.158(4) Uani 1 1 d . . . . .
F23 F 0.1708(5) 0.4485(3) 0.55628(16) 0.146(4) Uani 1 1 d . . . . .
F24 F 0.2465(5) 0.4146(3) 0.51380(19) 0.149(4) Uani 1 1 d . . . . .
F25 F 0.2209(4) 0.4278(3) 0.45072(18) 0.147(4) Uani 1 1 d . . . . .
F26 F 0.0819(6) 0.6493(3) 0.3488(2) 0.076(3) Uani 0.689(8) 1 d . U P C 3
F27 F 0.1266(7) 0.7274(3) 0.3476(3) 0.124(4) Uani 0.689(8) 1 d . U P C 3
F28 F 0.2489(7) 0.7403(3) 0.3385(3) 0.153(6) Uani 0.689(8) 1 d . U P C 3
C88 C 0.1796(7) 0.6196(5) 0.3400(4) 0.056(3) Uani 0.689(8) 1 d . U P C 3
C89 C 0.1428(14) 0.6554(11) 0.3446(7) 0.063(6) Uani 0.689(8) 1 d . U P C 3
C90 C 0.1640(9) 0.6949(4) 0.3445(4) 0.080(4) Uani 0.689(8) 1 d . U P C 3
C91 C 0.2263(10) 0.7014(8) 0.3393(5) 0.097(5) Uani 0.689(8) 1 d . U P C 3
C92 C 0.2649(9) 0.6685(6) 0.3343(5) 0.102(5) Uani 0.689(8) 1 d . U P C 3
C93 C 0.2401(7) 0.6278(5) 0.3352(4) 0.084(4) Uani 0.689(8) 1 d . U P C 3
F29 F 0.3234(5) 0.6755(5) 0.3304(4) 0.177(7) Uani 0.689(8) 1 d . U P C 3
F30 F 0.2802(5) 0.5962(4) 0.3315(3) 0.126(4) Uani 0.689(8) 1 d . U P C 3
C94 C 0.3952(5) 0.8430(3) 0.1847(2) 0.066(2) Uani 1 1 d . . . . .
C95 C 0.3883(4) 0.8604(3) 0.2155(2) 0.063(2) Uani 1 1 d . . . . .
H25 H 0.3644 0.8845 0.2198 0.075 Uiso 1 1 calc R U . . .
C96 C 0.4228(4) 0.8359(3) 0.2379(2) 0.064(2) Uani 1 1 d . . . . .
H26 H 0.4268 0.8402 0.2605 0.077 Uiso 1 1 calc R U . . .
C97 C 0.4511(4) 0.8032(3) 0.2215(2) 0.064(2) Uani 1 1 d . . . . .
C98 C 0.4889(4) 0.7682(3) 0.2322(2) 0.065(2) Uani 1 1 d . . . . .
C99 C 0.5054(4) 0.7354(3) 0.2126(2) 0.065(2) Uani 1 1 d . . . . .
C100 C 0.5447(5) 0.7000(3) 0.2203(3) 0.079(3) Uani 1 1 d . . . . .
H27 H 0.5670 0.6948 0.2406 0.095 Uiso 1 1 calc R U . . .
C101 C 0.5455(5) 0.6753(3) 0.1946(3) 0.088(4) Uani 1 1 d . . . . .
H28 H 0.5664 0.6491 0.1939 0.105 Uiso 1 1 calc R U . . .
C102 C 0.5094(5) 0.6951(3) 0.1683(3) 0.079(3) Uani 1 1 d . . . . .
C103 C 0.5005(5) 0.6824(3) 0.1355(3) 0.088(3) Uani 1 1 d . U . . .
C104 C 0.4663(5) 0.7036(3) 0.1106(2) 0.075(3) Uani 1 1 d . . . . .
C105 C 0.4555(5) 0.6910(3) 0.0774(3) 0.093(4) Uani 1 1 d . U . . .
H29 H 0.4713 0.6665 0.0681 0.112 Uiso 1 1 calc R U . . .
C106 C 0.4178(5) 0.7211(3) 0.0617(3) 0.088(4) Uani 1 1 d . . . . .
H30 H 0.4023 0.7205 0.0397 0.105 Uiso 1 1 calc R U . . .
C107 C 0.4060(5) 0.7532(3) 0.0841(2) 0.072(3) Uani 1 1 d . . . . .
C108 C 0.3702(4) 0.7896(3) 0.0789(2) 0.065(2) Uani 1 1 d . . . . .
C109 C 0.3592(4) 0.8195(3) 0.10249(19) 0.058(2) Uani 1 1 d . . . . .
C110 C 0.3221(4) 0.8567(3) 0.1027(2) 0.063(2) Uani 1 1 d . . . . .
H31 H 0.2974 0.8680 0.0847 0.075 Uiso 1 1 calc R U . . .
C111 C 0.3279(4) 0.8734(3) 0.1333(2) 0.061(2) Uani 1 1 d . . . . .
H32 H 0.3075 0.8978 0.1402 0.073 Uiso 1 1 calc R U . . .
C112 C 0.3693(4) 0.8476(3) 0.1522(2) 0.061(2) Uani 1 1 d . . . . .
Ag4 Ag 0.43792(3) 0.77211(2) 0.15338(2) 0.0628(2) Uani 1 1 d . . . . .
C113 C 0.3361(5) 0.7973(3) 0.0464(2) 0.072(3) Uani 1 1 d . . . . .
C114 C 0.2721(5) 0.7869(3) 0.0408(2) 0.071(3) Uani 1 1 d . . . . .
C115 C 0.2385(5) 0.7965(4) 0.0118(2) 0.084(3) Uani 1 1 d . . . . .
C116 C 0.2688(6) 0.8156(4) -0.0116(2) 0.089(4) Uani 1 1 d . . . . .
C117 C 0.3309(6) 0.8260(4) -0.0071(3) 0.093(4) Uani 1 1 d . . . . .
C118 C 0.3647(5) 0.8167(3) 0.0224(2) 0.077(3) Uani 1 1 d . . . . .
F31 F 0.2422(3) 0.7686(2) 0.06291(14) 0.0933(18) Uani 1 1 d . . . . .
F32 F 0.1780(3) 0.7865(3) 0.00716(15) 0.109(2) Uani 1 1 d . . . . .
F33 F 0.2354(3) 0.8258(2) -0.04008(13) 0.111(2) Uani 1 1 d . . . . .
F34 F 0.3594(4) 0.8466(3) -0.02984(16) 0.123(3) Uani 1 1 d . . . . .
F35 F 0.4251(3) 0.8276(2) 0.02606(14) 0.0962(18) Uani 1 1 d . . . . .
C128 C 1.0856(8) 0.5249(5) 0.1642(3) 0.117(4) Uani 1 1 d . U . . .
H33 H 1.0703 0.5160 0.1848 0.140 Uiso 1 1 calc R U . . .
H34 H 1.1100 0.5512 0.1680 0.140 Uiso 1 1 calc R U . . .
C125 C 1.1265(8) 0.4913(4) 0.1516(3) 0.113(4) Uani 1 1 d . U . . .
H35 H 1.1715 0.4992 0.1544 0.136 Uiso 1 1 calc R U . . .
H36 H 1.1206 0.4641 0.1624 0.136 Uiso 1 1 calc R U . . .
C126 C 1.1028(7) 0.4892(5) 0.1162(3) 0.110(4) Uani 1 1 d . U . . .
H37 H 1.0823 0.4619 0.1111 0.131 Uiso 1 1 calc R U . . .
H38 H 1.1380 0.4928 0.1026 0.131 Uiso 1 1 calc R U . . .
C127 C 1.0558(6) 0.5248(4) 0.1109(3) 0.096(3) Uani 1 1 d . U . . .
H39 H 1.0760 0.5502 0.1028 0.115 Uiso 1 1 calc R U . . .
H40 H 1.0201 0.5166 0.0954 0.115 Uiso 1 1 calc R U . . .
O1 O 1.0361(4) 0.5314(3) 0.1417(2) 0.108(2) Uani 1 1 d . U . . .
N13 N 0.4343(4) 0.8095(2) 0.18941(17) 0.068(2) Uani 1 1 d . . . . .
N14 N 0.4855(4) 0.7311(2) 0.17956(18) 0.068(2) Uani 1 1 d . . . . .
N15 N 0.4370(4) 0.7410(2) 0.11333(18) 0.070(2) Uani 1 1 d . . . . .
N16 N 0.3880(4) 0.8162(2) 0.13278(17) 0.067(2) Uani 1 1 d . . . . .
F44 F 0.2583(8) 0.5713(5) 0.2973(5) 0.075(5) Uani 0.311(8) 1 d . U P C 4
F45 F 0.3206(9) 0.6395(7) 0.2787(6) 0.107(7) Uani 0.311(8) 1 d . U P C 4
F46 F 0.2883(11) 0.7167(6) 0.2989(7) 0.121(9) Uani 0.311(8) 1 d . U P C 4
F47 F 0.1914(15) 0.7250(6) 0.3366(6) 0.097(7) Uani 0.311(8) 1 d . U P C 4
F48 F 0.1243(18) 0.6571(11) 0.3518(7) 0.064(8) Uani 0.311(8) 1 d . U P C 4
C135 C 0.1899(17) 0.6127(10) 0.3250(9) 0.056(7) Uani 0.311(8) 1 d . U P C 4
C136 C 0.2410(13) 0.6102(8) 0.3077(8) 0.060(6) Uani 0.311(8) 1 d . U P C 4
C137 C 0.2732(15) 0.6428(10) 0.2975(9) 0.077(7) Uani 0.311(8) 1 d . U P C 4
C138 C 0.2573(16) 0.6834(10) 0.3092(9) 0.081(7) Uani 0.311(8) 1 d . U P C 4
C139 C 0.205(2) 0.6880(10) 0.3271(9) 0.075(7) Uani 0.311(8) 1 d . U P C 4
C140 C 0.174(2) 0.6520(12) 0.3363(9) 0.066(7) Uani 0.311(8) 1 d . U P C 4
C129 C 0.6101(9) 0.3987(6) 0.0855(5) 0.071(5) Uani 0.597(8) 1 d . U P B 2
C130 C 0.5644(11) 0.4288(7) 0.0785(5) 0.101(5) Uani 0.597(8) 1 d . U P B 2
C131 C 0.5413(13) 0.4372(9) 0.0465(7) 0.132(7) Uani 0.597(8) 1 d . U P B 2
C132 C 0.5659(14) 0.4192(10) 0.0225(7) 0.130(7) Uani 0.597(8) 1 d . U P B 2
C133 C 0.6087(13) 0.3899(10) 0.0275(7) 0.104(7) Uani 0.597(8) 1 d . U P B 2
C134 C 0.6287(11) 0.3800(10) 0.0596(7) 0.080(6) Uani 0.597(8) 1 d . U P B 2
F40 F 0.5422(6) 0.4498(5) 0.1012(4) 0.139(5) Uani 0.597(8) 1 d . U P B 2
F41 F 0.5481(12) 0.4318(8) -0.0082(4) 0.210(9) Uani 0.597(8) 1 d . U P B 2
F42 F 0.6915(8) 0.3654(6) 0.0593(4) 0.110(5) Uani 0.597(8) 1 d . U P B 2
F43 F 0.6418(15) 0.3773(8) 0.0005(8) 0.120(8) Uani 0.597(8) 1 d . U P B 2
F49 F 0.4980(10) 0.4687(7) 0.0423(5) 0.221(10) Uani 0.597(8) 1 d . U P B 2
C119 C 0.5217(6) 0.6382(4) 0.1312(4) 0.067(4) Uani 0.606(11) 1 d G U P D 5
C120 C 0.5838(6) 0.6346(4) 0.1240(4) 0.108(6) Uani 0.606(11) 1 d G U P D 5
C121 C 0.6090(6) 0.5953(6) 0.1187(5) 0.122(6) Uani 0.606(11) 1 d G U P D 5
C122 C 0.5722(9) 0.5596(4) 0.1206(5) 0.129(7) Uani 0.606(11) 1 d G U P D 5
C123 C 0.5101(9) 0.5632(4) 0.1278(6) 0.130(6) Uani 0.606(11) 1 d G U P D 5
C124 C 0.4848(6) 0.6025(5) 0.1331(5) 0.103(7) Uani 0.606(11) 1 d G U P D 5
F36 F 0.6197(9) 0.6655(7) 0.1250(7) 0.195(9) Uani 0.606(11) 1 d . U P D 5
F37 F 0.6688(10) 0.5894(8) 0.1174(7) 0.221(10) Uani 0.606(11) 1 d . U P D 5
F39 F 0.4295(7) 0.6054(4) 0.1429(6) 0.185(7) Uani 0.606(11) 1 d . U P D 5
F51 F 0.5958(9) 0.5221(5) 0.1147(4) 0.172(8) Uani 0.606(11) 1 d . U P D 5
F50 F 0.4745(12) 0.5283(5) 0.1332(8) 0.244(10) Uani 0.606(11) 1 d . U P D 5
F52 F 0.6202(9) 0.6942(6) 0.0970(6) 0.121(7) Uani 0.394(11) 1 d . U P D 6
F53 F 0.6906(12) 0.6310(9) 0.0777(8) 0.178(11) Uani 0.394(11) 1 d . U P D 6
F59 F 0.5556(13) 0.5386(7) 0.1265(6) 0.121(8) Uani 0.394(11) 1 d . U P D 6
F60 F 0.6570(14) 0.5517(8) 0.0952(7) 0.158(9) Uani 0.394(11) 1 d . U P D 6
F61 F 0.4854(12) 0.6011(6) 0.1454(5) 0.101(7) Uani 0.394(11) 1 d . U P D 6
C141 C 0.5527(9) 0.6491(5) 0.1197(5) 0.081(7) Uani 0.394(11) 1 d G U P D 6
C142 C 0.6049(9) 0.6567(4) 0.1029(5) 0.072(6) Uani 0.394(11) 1 d G U P D 6
C143 C 0.6413(9) 0.6234(6) 0.0937(5) 0.103(7) Uani 0.394(11) 1 d G U P D 6
C156 C 0.6255(10) 0.5825(5) 0.1013(5) 0.095(7) Uani 0.394(11) 1 d G U P D 6
C155 C 0.5732(11) 0.5749(4) 0.1180(5) 0.084(7) Uani 0.394(11) 1 d G U P D 6
C154 C 0.5368(9) 0.6082(6) 0.1272(5) 0.086(6) Uani 0.394(11) 1 d G U P D 6
F54 F 0.5519(13) 0.5896(8) 0.4323(5) 0.123(9) Uani 0.372(16) 1 d . U P A 8
F55 F 0.6606(13) 0.6087(6) 0.4077(7) 0.111(8) Uani 0.372(16) 1 d . U P A 8
F56 F 0.7421(12) 0.5477(8) 0.3876(8) 0.073(7) Uani 0.372(16) 1 d . U P A 8
F57 F 0.5278(12) 0.5188(11) 0.4377(6) 0.166(11) Uani 0.372(16) 1 d . U P A 8
F58 F 0.6383(16) 0.4637(10) 0.4433(9) 0.160(11) Uani 0.372(16) 1 d . U P A 8
C147 C 0.6710(10) 0.4961(6) 0.4057(6) 0.067(7) Uani 0.372(16) 1 d G U P A 8
C148 C 0.6142(11) 0.4863(6) 0.4179(6) 0.084(7) Uani 0.372(16) 1 d G U P A 8
C149 C 0.5743(10) 0.5181(8) 0.4261(6) 0.106(8) Uani 0.372(16) 1 d G U P A 8
C146 C 0.5911(11) 0.5598(7) 0.4223(6) 0.097(8) Uani 0.372(16) 1 d G U P A 8
C145 C 0.6479(12) 0.5696(5) 0.4101(6) 0.093(7) Uani 0.372(16) 1 d G U P A 8
C144 C 0.6878(9) 0.5377(7) 0.4019(6) 0.074(7) Uani 0.372(16) 1 d G U P A 8
C162 C 0.2827(11) 0.7558(6) 0.1779(5) 0.106(7) Uani 0.514(12) 1 d D U P E 1
H49 H 0.2364 0.7586 0.1744 0.127 Uiso 0.514(12) 1 calc R U P E 1
H50 H 0.3019 0.7810 0.1690 0.127 Uiso 0.514(12) 1 calc R U P E 1
C163 C 0.3039(10) 0.7165(8) 0.1607(5) 0.116(7) Uani 0.514(12) 1 d D U P E 1
H51 H 0.3501 0.7177 0.1602 0.139 Uiso 0.514(12) 1 calc R U P E 1
H52 H 0.2942 0.6917 0.1736 0.139 Uiso 0.514(12) 1 calc R U P E 1
C164 C 0.2755(10) 0.7102(8) 0.1276(5) 0.125(7) Uani 0.514(12) 1 d D U P E 1
H53 H 0.2965 0.6858 0.1185 0.150 Uiso 0.514(12) 1 calc R U P E 1
H54 H 0.2855 0.7351 0.1149 0.150 Uiso 0.514(12) 1 calc R U P E 1
C161 C 0.3029(13) 0.7526(9) 0.2147(6) 0.137(10) Uani 0.514(12) 1 d D U P E 1
H55 H 0.2655 0.7494 0.2264 0.206 Uiso 0.514(12) 1 calc R U P E 1
H56 H 0.3254 0.7782 0.2219 0.206 Uiso 0.514(12) 1 calc R U P E 1
H57 H 0.3305 0.7283 0.2188 0.206 Uiso 0.514(12) 1 calc R U P E 1
C165 C 0.2046(9) 0.7030(8) 0.1227(7) 0.133(8) Uani 0.514(12) 1 d D U P E 1
H58 H 0.1838 0.7219 0.1373 0.160 Uiso 0.514(12) 1 calc R U P E 1
H59 H 0.1897 0.7108 0.1004 0.160 Uiso 0.514(12) 1 calc R U P E 1
C166 C 0.1841(13) 0.6583(8) 0.1287(9) 0.150(9) Uani 0.514(12) 1 d D U P E 1
H60 H 0.2105 0.6392 0.1170 0.180 Uiso 0.514(12) 1 calc R U P E 1
H61 H 0.1930 0.6523 0.1520 0.180 Uiso 0.514(12) 1 calc R U P E 1
C167 C 0.1163(13) 0.6481(10) 0.1193(7) 0.130(10) Uani 0.514(12) 1 d D U P E 1
H103 H 0.1083 0.6187 0.1242 0.195 Uiso 0.514(12) 1 calc R U P E 1
H104 H 0.0894 0.6661 0.1312 0.195 Uiso 0.514(12) 1 calc R U P E 1
H105 H 0.1069 0.6530 0.0961 0.195 Uiso 0.514(12) 1 calc R U P E 1
C169 C 0.342(2) 0.3570(18) 0.1293(15) 0.221(14) Uani 0.392(16) 1 d D U P F -6
H128 H 0.3225 0.3519 0.1497 0.265 Uiso 0.392(16) 1 calc R U P F -6
H129 H 0.3228 0.3837 0.1209 0.265 Uiso 0.392(16) 1 calc R U P F -6
C170 C 0.408(2) 0.370(2) 0.1405(9) 0.213(13) Uani 0.392(16) 1 d D U P F -6
H130 H 0.4332 0.3525 0.1268 0.256 Uiso 0.392(16) 1 calc R U P F -6
H131 H 0.4104 0.3985 0.1322 0.256 Uiso 0.392(16) 1 calc R U P F -6
C171 C 0.448(2) 0.3713(15) 0.1718(11) 0.202(12) Uani 0.392(16) 1 d D U P F -6
H132 H 0.4626 0.3421 0.1745 0.242 Uiso 0.392(16) 1 calc R U P F -6
H133 H 0.4161 0.3746 0.1876 0.242 Uiso 0.392(16) 1 calc R U P F -6
C168 C 0.310(3) 0.325(2) 0.1071(17) 0.223(17) Uani 0.392(16) 1 d D U P F -6
H134 H 0.2645 0.3279 0.1068 0.335 Uiso 0.392(16) 1 calc R U P F -6
H135 H 0.3229 0.3292 0.0854 0.335 Uiso 0.392(16) 1 calc R U P F -6
H136 H 0.3226 0.2969 0.1147 0.335 Uiso 0.392(16) 1 calc R U P F -6
C173 C 0.5458(16) 0.3926(16) 0.2171(10) 0.182(12) Uani 0.392(16) 1 d D U P F -6
H137 H 0.5799 0.3739 0.2112 0.218 Uiso 0.392(16) 1 calc R U P F -6
H138 H 0.5651 0.4207 0.2198 0.218 Uiso 0.392(16) 1 calc R U P F -6
C172 C 0.502(2) 0.3961(14) 0.1865(9) 0.192(12) Uani 0.392(16) 1 d D U P F -6
H139 H 0.4851 0.4249 0.1875 0.230 Uiso 0.392(16) 1 calc R U P F -6
H140 H 0.5313 0.3970 0.1693 0.230 Uiso 0.392(16) 1 calc R U P F -6
C174 C 0.5350(19) 0.3794(13) 0.2511(10) 0.155(13) Uani 0.392(16) 1 d D U P F -6
H141 H 0.5747 0.3810 0.2647 0.233 Uiso 0.392(16) 1 calc R U P F -6
H142 H 0.5041 0.3982 0.2596 0.233 Uiso 0.392(16) 1 calc R U P F -6
H143 H 0.5191 0.3506 0.2509 0.233 Uiso 0.392(16) 1 calc R U P F -6
C177 C 0.032(3) 0.7449(17) 0.0425(10) 0.253(13) Uani 0.486(12) 1 d D U P E 2
H65 H 0.0648 0.7511 0.0279 0.304 Uiso 0.486(12) 1 calc R U P E 2
H66 H 0.0101 0.7202 0.0323 0.304 Uiso 0.486(12) 1 calc R U P E 2
C178 C 0.075(3) 0.7191(17) 0.0657(10) 0.256(13) Uani 0.486(12) 1 d D U P E 2
H67 H 0.1146 0.7301 0.0583 0.308 Uiso 0.486(12) 1 calc R U P E 2
H68 H 0.0685 0.6924 0.0537 0.308 Uiso 0.486(12) 1 calc R U P E 2
C176 C -0.015(3) 0.7764(18) 0.0272(13) 0.251(13) Uani 0.486(12) 1 d D U P E 2
H69 H -0.0026 0.7986 0.0431 0.302 Uiso 0.486(12) 1 calc R U P E 2
H70 H -0.0514 0.7631 0.0359 0.302 Uiso 0.486(12) 1 calc R U P E 2
C175 C -0.054(3) 0.8055(18) 0.0048(13) 0.250(14) Uani 0.486(12) 1 d D U P E 2
H71 H -0.0285 0.8164 -0.0117 0.375 Uiso 0.486(12) 1 calc R U P E 2
H72 H -0.0694 0.8289 0.0172 0.375 Uiso 0.486(12) 1 calc R U P E 2
H73 H -0.0901 0.7900 -0.0055 0.375 Uiso 0.486(12) 1 calc R U P E 2
C179 C 0.106(2) 0.6989(17) 0.0964(12) 0.260(13) Uani 0.486(12) 1 d D U P E 2
H74 H 0.1322 0.7233 0.1038 0.312 Uiso 0.486(12) 1 calc R U P E 2
H75 H 0.1359 0.6807 0.0859 0.312 Uiso 0.486(12) 1 calc R U P E 2
C180 C 0.110(3) 0.6755(16) 0.1287(10) 0.262(13) Uani 0.486(12) 1 d D U P E 2
H76 H 0.1521 0.6851 0.1370 0.314 Uiso 0.486(12) 1 calc R U P E 2
H77 H 0.0811 0.6941 0.1396 0.314 Uiso 0.486(12) 1 calc R U P E 2
C181 C 0.106(3) 0.6373(18) 0.1509(14) 0.267(14) Uani 0.486(12) 1 d D U P E 2
H100 H 0.1152 0.6461 0.1733 0.400 Uiso 0.486(12) 1 calc R U P E 2
H101 H 0.0633 0.6254 0.1481 0.400 Uiso 0.486(12) 1 calc R U P E 2
H102 H 0.1363 0.6161 0.1455 0.400 Uiso 0.486(12) 1 calc R U P E 2
O2 O 0.193(2) 0.0268(18) 0.0252(12) 0.465(16) Uani 1 1 d D U . . .
C184 C 0.098(3) 0.044(2) 0.0262(16) 0.452(17) Uani 1 1 d D U . . .
H41 H 0.0729 0.0491 0.0055 0.542 Uiso 1 1 calc R U . . .
H42 H 0.0748 0.0558 0.0436 0.542 Uiso 1 1 calc R U . . .
C185 C 0.161(3) 0.0667(15) 0.0259(16) 0.458(17) Uani 1 1 d D U . . .
H43 H 0.1644 0.0840 0.0065 0.549 Uiso 1 1 calc R U . . .
H44 H 0.1726 0.0832 0.0457 0.549 Uiso 1 1 calc R U . . .
C182 C 0.166(3) -0.0128(17) 0.0150(15) 0.463(17) Uani 1 1 d D U . . .
H45 H 0.1892 -0.0373 0.0244 0.556 Uiso 1 1 calc R U . . .
H46 H 0.1582 -0.0156 -0.0086 0.556 Uiso 1 1 calc R U . . .
C183 C 0.106(3) -0.003(2) 0.0313(15) 0.461(17) Uani 1 1 d D U . . .
H47 H 0.1109 -0.0105 0.0545 0.553 Uiso 1 1 calc R U . . .
H48 H 0.0692 -0.0189 0.0209 0.553 Uiso 1 1 calc R U . . .
C188 C 0.8395(13) 0.8331(9) 0.0880(7) 0.164(9) Uani 0.608(16) 1 d D U P F 5
H106 H 0.8135 0.8579 0.0813 0.197 Uiso 0.608(16) 1 calc R U P F 5
H107 H 0.8695 0.8282 0.0716 0.197 Uiso 0.608(16) 1 calc R U P F 5
C192 C 0.700(2) 0.7227(14) 0.0385(10) 0.274(18) Uani 0.608(16) 1 d D U P F 5
H125 H 0.6769 0.6977 0.0446 0.411 Uiso 0.608(16) 1 calc R U P F 5
H126 H 0.6702 0.7423 0.0272 0.411 Uiso 0.608(16) 1 calc R U P F 5
H127 H 0.7318 0.7145 0.0244 0.411 Uiso 0.608(16) 1 calc R U P F 5
C189 C 0.7987(12) 0.7957(8) 0.0906(6) 0.159(9) Uani 0.608(16) 1 d D U P F 5
H111 H 0.7667 0.8020 0.1057 0.190 Uiso 0.608(16) 1 calc R U P F 5
H112 H 0.8248 0.7722 0.0998 0.190 Uiso 0.608(16) 1 calc R U P F 5
C187 C 0.8749(15) 0.8407(11) 0.1207(7) 0.173(10) Uani 0.608(16) 1 d D U P F 5
H113 H 0.8984 0.8152 0.1281 0.208 Uiso 0.608(16) 1 calc R U P F 5
H114 H 0.8450 0.8478 0.1367 0.208 Uiso 0.608(16) 1 calc R U P F 5
C186 C 0.920(2) 0.8770(13) 0.1170(11) 0.246(18) Uani 0.608(16) 1 d D U P F 5
H122 H 0.9438 0.8828 0.1377 0.369 Uiso 0.608(16) 1 calc R U P F 5
H123 H 0.9494 0.8696 0.1011 0.369 Uiso 0.608(16) 1 calc R U P F 5
H124 H 0.8963 0.9021 0.1097 0.369 Uiso 0.608(16) 1 calc R U P F 5
C190 C 0.7663(14) 0.7823(9) 0.0593(6) 0.176(9) Uani 0.608(16) 1 d D U P F 5
H118 H 0.7972 0.7759 0.0437 0.211 Uiso 0.608(16) 1 calc R U P F 5
H119 H 0.7375 0.8044 0.0503 0.211 Uiso 0.608(16) 1 calc R U P F 5
C191 C 0.7293(16) 0.7425(10) 0.0670(9) 0.200(11) Uani 0.608(16) 1 d D U P F 5
H120 H 0.7584 0.7223 0.0786 0.240 Uiso 0.608(16) 1 calc R U P F 5
H121 H 0.6967 0.7501 0.0814 0.240 Uiso 0.608(16) 1 calc R U P F 5
C198 C 0.581(3) 0.523(3) 0.219(3) 0.41(2) Uani 0.5 1 d D U P G -1
H144 H 0.6117 0.5404 0.2096 0.494 Uiso 0.5 1 calc R U P G -1
H145 H 0.5996 0.5167 0.2414 0.494 Uiso 0.5 1 calc R U P G -1
C197 C 0.586(4) 0.481(3) 0.202(2) 0.40(2) Uani 0.5 1 d D U P G -1
H146 H 0.6302 0.4715 0.2046 0.597 Uiso 0.5 1 calc R U P G -1
H147 H 0.5599 0.4599 0.2119 0.597 Uiso 0.5 1 calc R U P G -1
H148 H 0.5723 0.4841 0.1795 0.597 Uiso 0.5 1 calc R U P G -1
C202 C 0.329(4) 0.583(2) 0.206(2) 0.41(2) Uani 0.5 1 d D U P G -1
H149 H 0.3243 0.6127 0.2114 0.492 Uiso 0.5 1 calc R U P G -1
H150 H 0.3347 0.5816 0.1832 0.492 Uiso 0.5 1 calc R U P G -1
C200 C 0.460(4) 0.562(3) 0.2093(14) 0.42(2) Uani 0.5 1 d D U P G -1
H151 H 0.4661 0.5848 0.1938 0.500 Uiso 0.5 1 calc R U P G -1
H152 H 0.4504 0.5367 0.1960 0.500 Uiso 0.5 1 calc R U P G -1
C201 C 0.396(3) 0.573(3) 0.2220(15) 0.41(2) Uani 0.5 1 d D U P G -1
H153 H 0.3890 0.5494 0.2367 0.498 Uiso 0.5 1 calc R U P G -1
H154 H 0.4059 0.5973 0.2361 0.498 Uiso 0.5 1 calc R U P G -1
C203 C 0.263(4) 0.565(3) 0.208(2) 0.40(2) Uani 0.5 1 d D U P G -1
H155 H 0.2336 0.5817 0.1937 0.598 Uiso 0.5 1 calc R U P G -1
H156 H 0.2620 0.5360 0.2015 0.598 Uiso 0.5 1 calc R U P G -1
H157 H 0.2515 0.5677 0.2302 0.598 Uiso 0.5 1 calc R U P G -1
C199 C 0.527(3) 0.554(3) 0.2250(18) 0.42(2) Uani 0.5 1 d D U P G -1
H158 H 0.5478 0.5813 0.2242 0.500 Uiso 0.5 1 calc R U P G -1
H159 H 0.5206 0.5493 0.2480 0.500 Uiso 0.5 1 calc R U P G -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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_3
N1 C1 C2 107.5(10) .
N1 C1 C19 112.2(9) .
C2 C1 C19 140.3(11) .
C3 C2 C1 105.2(11) .
C3 C2 H1 127.4 .
C1 C2 H1 127.4 .
C2 C3 C4 111.7(11) .
C2 C3 H2 124.1 .
C4 C3 H2 124.1 .
N1 C4 C3 103.3(11) .
N1 C4 C5 121.4(12) .
C3 C4 C5 135.2(11) .
C6 C5 C4 124.2(11) .
C6 C5 C20 120.6(12) .
C4 C5 C20 115.2(13) .
N2 C6 C5 127.4(12) .
N2 C6 C7 106.6(14) .
C5 C6 C7 126.0(13) .
C8 C7 C6 108.2(12) .
C8 C7 H3 125.9 .
C6 C7 H3 125.9 .
C7 C8 C9 109.7(14) .
C7 C8 H4 125.1 .
C9 C8 H4 125.1 .
C10 C9 N2 125.6(11) .
C10 C9 C8 131.2(14) .
N2 C9 C8 103.2(14) .
C9 C10 C11 128.2(12) .
C9 C10 C26 111.0(14) .
C11 C10 C26 120.5(15) .
C9 C10 C147 117.0(13) .
C11 C10 C147 113.7(14) .
N3 C11 C12 107.7(9) .
N3 C11 C10 121.9(12) .
C12 C11 C10 130.4(11) .
C13 C12 C11 109.5(10) .
C13 C12 H5 125.2 .
C11 C12 H5 125.2 .
C12 C13 C14 107.9(10) .
C12 C13 H6 126.1 .
C14 C13 H6 126.1 .
N3 C14 C13 107.1(8) .
N3 C14 C15 125.4(9) .
C13 C14 C15 127.4(9) .
C16 C15 C14 124.0(9) .
C16 C15 C36 119.0(8) .
C14 C15 C36 117.0(9) .
N4 C16 C15 122.5(8) .
N4 C16 C17 104.8(8) .
C15 C16 C17 132.7(8) .
C18 C17 C16 108.9(8) .
C18 C17 H7 125.6 .
C16 C17 H7 125.6 .
C17 C18 C19 106.6(9) .
C17 C18 H8 126.7 .
C19 C18 H8 126.7 .
N4 C19 C1 113.0(9) .
N4 C19 C18 106.4(8) .
C1 C19 C18 140.6(10) .
C1 N1 C4 112.3(10) .
C1 N1 Ag1 117.9(7) .
C4 N1 Ag1 129.8(9) .
C6 N2 C9 112.2(11) .
C6 N2 Ag1 124.6(10) .
C9 N2 Ag1 123.1(8) .
C11 N3 C14 107.7(9) .
C11 N3 Ag1 126.2(7) .
C14 N3 Ag1 125.8(7) .
C19 N4 C16 113.3(8) .
C19 N4 Ag1 116.4(6) .
C16 N4 Ag1 130.2(7) .
N1 Ag1 N3 172.5(3) .
N1 Ag1 N4 80.4(3) .
N3 Ag1 N4 92.1(3) .
N1 Ag1 N2 92.6(4) .
N3 Ag1 N2 94.9(4) .
N4 Ag1 N2 173.0(4) .
C25 C20 C21 117.1(11) .
C25 C20 C5 121.7(10) .
C21 C20 C5 120.7(12) .
F1 C21 C22 119.3(12) .
F1 C21 C20 120.0(11) .
C22 C21 C20 120.6(14) .
F2 C22 C21 119.0(14) .
F2 C22 C23 120.7(12) .
C21 C22 C23 120.4(13) .
C24 C23 F3 122.8(14) .
C24 C23 C22 119.3(12) .
F3 C23 C22 117.9(13) .
C23 C24 F4 117.8(12) .
C23 C24 C25 121.1(13) .
F4 C24 C25 121.1(11) .
F5 C25 C20 121.2(10) .
F5 C25 C24 117.1(11) .
C20 C25 C24 121.6(11) .
C27 C26 C31 120.0 .
C27 C26 C10 121.3(16) .
C31 C26 C10 118.6(16) .
F6 C27 C26 121.9(18) .
F6 C27 C28 117.9(18) .
C26 C27 C28 120.0 .
F7 C28 C29 116.1(18) .
F7 C28 C27 123.8(18) .
C29 C28 C27 120.0 .
F8 C29 C28 118(2) .
F8 C29 C30 122(2) .
C28 C29 C30 120.0 .
F9 C30 C31 116(2) .
F9 C30 C29 116(2) .
C31 C30 C29 120.0 .
C30 C31 C26 120.0 .
C30 C31 F10 119.7(16) .
C26 C31 F10 118.1(15) .
N5 C32 C33 108.9(9) .
N5 C32 C50 110.6(9) .
C33 C32 C50 140.4(9) .
C34 C33 C32 106.8(8) .
C34 C33 H9 126.6 .
C32 C33 H9 126.6 .
C33 C34 C35 110.2(9) .
C33 C34 H10 124.9 .
C35 C34 H10 124.9 .
N5 C35 C36 121.5(8) .
N5 C35 C34 104.1(8) .
C36 C35 C34 134.4(10) .
C37 C36 C35 123.3(9) .
C37 C36 C15 118.5(7) .
C35 C36 C15 118.1(8) .
N6 C37 C36 127.1(7) .
N6 C37 C38 106.1(7) .
C36 C37 C38 126.8(8) .
C39 C38 C37 108.0(8) .
C39 C38 H11 126.0 .
C37 C38 H11 126.0 .
C38 C39 C40 108.8(7) .
C38 C39 H12 125.6 .
C40 C39 H12 125.6 .
N6 C40 C41 124.2(8) .
N6 C40 C39 106.9(7) .
C41 C40 C39 128.9(7) .
C40 C41 C42 126.2(8) .
C40 C41 C51 116.5(8) .
C42 C41 C51 117.3(7) .
N7 C42 C41 124.8(8) .
N7 C42 C43 107.1(9) .
C41 C42 C43 128.1(9) .
C44 C43 C42 107.2(10) .
C44 C43 H13 126.4 .
C42 C43 H13 126.4 .
C43 C44 C45 110.5(9) .
C43 C44 H14 124.8 .
C45 C44 H14 124.8 .
N7 C45 C46 126.6(10) .
N7 C45 C44 103.7(9) .
C46 C45 C44 129.7(10) .
C47 C46 C45 125.2(9) .
C47 C46 C129 108.8(12) .
C45 C46 C129 125.8(14) .
C47 C46 C57 131.4(11) .
C45 C46 C57 103.4(12) .
N8 C47 C46 121.3(9) .
N8 C47 C48 105.0(11) .
C46 C47 C48 133.7(11) .
C49 C48 C47 109.8(10) .
C49 C48 H15 125.1 .
C47 C48 H15 125.1 .
C48 C49 C50 106.9(11) .
C48 C49 H16 126.6 .
C50 C49 H16 126.6 .
N8 C50 C32 114.1(8) .
N8 C50 C49 105.0(10) .
C32 C50 C49 140.9(11) .
C56 C51 C52 115.6(8) .
C56 C51 C41 123.1(8) .
C52 C51 C41 121.4(8) .
F15 C52 C53 117.3(9) .
F15 C52 C51 119.7(8) .
C53 C52 C51 123.0(8) .
F14 C53 C54 119.8(8) .
F14 C53 C52 121.1(8) .
C54 C53 C52 119.1(9) .
F13 C54 C55 120.1(8) .
F13 C54 C53 120.0(8) .
C55 C54 C53 119.9(8) .
F12 C55 C54 119.9(8) .
F12 C55 C56 120.3(8) .
C54 C55 C56 119.8(8) .
F11 C56 C51 119.2(7) .
F11 C56 C55 118.3(7) .
C51 C56 C55 122.5(8) .
C32 N5 C35 110.0(8) .
C32 N5 Ag2 119.2(7) .
C35 N5 Ag2 130.7(5) .
C40 N6 C37 110.1(7) .
C40 N6 Ag2 124.6(6) .
C37 N6 Ag2 124.8(5) .
C42 N7 C45 111.5(8) .
C42 N7 Ag2 124.5(6) .
C45 N7 Ag2 123.9(7) .
C47 N8 C50 113.3(9) .
C47 N8 Ag2 130.6(8) .
C50 N8 Ag2 116.0(7) .
N5 Ag2 N7 172.2(3) .
N5 Ag2 N8 79.9(3) .
N7 Ag2 N8 92.3(4) .
N5 Ag2 N6 92.3(3) .
N7 Ag2 N6 95.5(3) .
N8 Ag2 N6 172.1(3) .
C58 C57 C62 120.0 .
C58 C57 C46 118.2(11) .
C62 C57 C46 121.3(11) .
F16 C58 C59 119.7(15) .
F16 C58 C57 103.0(15) .
C59 C58 C57 120.0 .
F17 C59 C60 112(2) .
F17 C59 C58 124(2) .
C60 C59 C58 120.0 .
F18 C60 C59 121.6(13) .
F18 C60 C61 118.4(12) .
C59 C60 C61 120.0 .
F19 C61 C62 119.2(12) .
F19 C61 C60 120.2(12) .
C62 C61 C60 120.0 .
F20 C62 C61 117.7(12) .
F20 C62 C57 122.1(12) .
C61 C62 C57 120.0 .
N9 C63 C81 113.4(7) .
N9 C63 C64 106.6(7) .
C81 C63 C64 139.9(8) .
C65 C64 C63 107.1(8) .
C65 C64 H17 126.5 .
C63 C64 H17 126.5 .
C64 C65 C66 109.1(8) .
C64 C65 H18 125.4 .
C66 C65 H18 125.4 .
N9 C66 C65 106.1(7) .
N9 C66 C67 121.4(8) .
C65 C66 C67 132.4(8) .
C68 C67 C66 123.4(8) .
C68 C67 C67 119.2(7) 2
C66 C67 C67 117.5(7) 2
N10 C68 C67 126.1(7) .
N10 C68 C69 105.8(8) .
C67 C68 C69 128.1(8) .
C70 C69 C68 108.3(8) .
C70 C69 H19 125.9 .
C68 C69 H19 125.9 .
C69 C70 C71 108.5(7) .
C69 C70 H20 125.8 .
C71 C70 H20 125.8 .
N10 C71 C72 124.9(7) .
N10 C71 C70 106.5(7) .
C72 C71 C70 128.5(7) .
C73 C72 C71 126.8(7) .
C73 C72 C88 110.5(9) .
C71 C72 C88 122.2(9) .
C73 C72 C135 131.0(14) .
C71 C72 C135 101.4(14) .
N11 C73 C72 124.7(7) .
N11 C73 C74 104.8(8) .
C72 C73 C74 130.4(8) .
C75 C74 C73 110.2(8) .
C75 C74 H21 124.9 .
C73 C74 H21 124.9 .
C74 C75 C76 107.2(8) .
C74 C75 H22 126.4 .
C76 C75 H22 126.4 .
N11 C76 C77 125.5(7) .
N11 C76 C75 106.7(8) .
C77 C76 C75 127.8(8) .
C76 C77 C78 125.8(8) .
C76 C77 C82 119.2(7) .
C78 C77 C82 114.9(8) .
N12 C78 C77 120.0(8) .
N12 C78 C79 106.2(7) .
C77 C78 C79 133.7(8) .
C80 C79 C78 108.1(7) .
C80 C79 H23 125.9 .
C78 C79 H23 125.9 .
C79 C80 C81 107.9(7) .
C79 C80 H24 126.0 .
C81 C80 H24 126.0 .
N12 C81 C63 112.4(7) .
N12 C81 C80 106.4(7) .
C63 C81 C80 141.1(7) .
C66 N9 C63 111.0(7) .
C66 N9 Ag3 130.5(6) .
C63 N9 Ag3 115.9(5) .
C71 N10 C68 110.9(7) .
C71 N10 Ag3 123.5(6) .
C68 N10 Ag3 125.4(5) .
C73 N11 C76 111.0(7) .
C73 N11 Ag3 123.6(6) .
C76 N11 Ag3 125.3(5) .
C81 N12 C78 111.3(7) .
C81 N12 Ag3 116.8(5) .
C78 N12 Ag3 131.6(6) .
N9 Ag3 N12 80.8(3) .
N9 Ag3 N10 91.6(3) .
N12 Ag3 N10 172.4(3) .
N9 Ag3 N11 172.1(3) .
N12 Ag3 N11 91.5(3) .
N10 Ag3 N11 96.1(3) .
C87 C82 C83 116.8(9) .
C87 C82 C77 121.8(9) .
C83 C82 C77 121.4(9) .
F21 C83 C82 120.4(9) .
F21 C83 C84 117.9(11) .
C82 C83 C84 121.7(12) .
F22 C84 C85 122.1(12) .
F22 C84 C83 119.8(15) .
C85 C84 C83 117.8(12) .
F23 C85 C86 122.6(15) .
F23 C85 C84 116.6(15) .
C86 C85 C84 120.7(11) .
F24 C86 C85 119.9(12) .
F24 C86 C87 121.3(14) .
C85 C86 C87 118.8(13) .
C82 C87 F25 120.0(10) .
C82 C87 C86 123.9(13) .
F25 C87 C86 116.1(12) .
C93 C88 C89 114.5(19) .
C93 C88 C72 123.5(15) .
C89 C88 C72 121.9(17) .
C90 C89 F26 118(3) .
C90 C89 C88 125(3) .
F26 C89 C88 117(2) .
F27 C90 C89 122(2) .
F27 C90 C91 119.6(16) .
C89 C90 C91 118(2) .
F28 C91 C92 119.2(19) .
F28 C91 C90 120(2) .
C92 C91 C90 120.8(18) .
F29 C92 C91 119.3(17) .
F29 C92 C93 122(2) .
C91 C92 C93 118.3(17) .
F30 C93 C88 120.1(14) .
F30 C93 C92 116.4(15) .
C88 C93 C92 123.5(18) .
N13 C94 C95 106.9(7) .
N13 C94 C112 113.5(7) .
C95 C94 C112 139.2(8) .
C96 C95 C94 107.4(8) .
C96 C95 H25 126.3 .
C94 C95 H25 126.3 .
C95 C96 C97 108.4(8) .
C95 C96 H26 125.8 .
C97 C96 H26 125.8 .
N13 C97 C96 106.2(7) .
N13 C97 C98 120.8(8) .
C96 C97 C98 133.0(8) .
C99 C98 C97 124.7(8) .
C99 C98 C98 120.2(6) 2_655
C97 C98 C98 115.1(7) 2_655
C98 C99 N14 125.2(7) .
C98 C99 C100 129.6(8) .
N14 C99 C100 105.2(8) .
C101 C100 C99 109.8(8) .
C101 C100 H27 125.1 .
C99 C100 H27 125.1 .
C100 C101 C102 108.1(8) .
C100 C101 H28 125.9 .
C102 C101 H28 125.9 .
N14 C102 C103 123.5(8) .
N14 C102 C101 107.5(8) .
C103 C102 C101 128.9(9) .
C104 C103 C102 126.5(8) .
C104 C103 C119 120.8(9) .
C102 C103 C119 111.7(10) .
C104 C103 C141 109.2(10) .
C102 C103 C141 120.8(9) .
N15 C104 C103 125.5(8) .
N15 C104 C105 106.8(8) .
C103 C104 C105 127.7(8) .
C106 C105 C104 107.5(8) .
C106 C105 H29 126.3 .
C104 C105 H29 126.3 .
C105 C106 C107 108.5(8) .
C105 C106 H30 125.7 .
C107 C106 H30 125.7 .
N15 C107 C108 125.4(8) .
N15 C107 C106 106.2(8) .
C108 C107 C106 128.5(8) .
C107 C108 C109 125.3(8) .
C107 C108 C113 119.4(7) .
C109 C108 C113 115.2(7) .
N16 C109 C108 120.6(7) .
N16 C109 C110 105.3(7) .
C108 C109 C110 134.0(7) .
C111 C110 C109 108.9(7) .
C111 C110 H31 125.6 .
C109 C110 H31 125.6 .
C110 C111 C112 107.2(7) .
C110 C111 H32 126.4 .
C112 C111 H32 126.4 .
N16 C112 C111 107.3(7) .
N16 C112 C94 112.3(7) .
C111 C112 C94 140.4(8) .
N16 Ag4 N13 80.6(3) .
N16 Ag4 N14 172.2(3) .
N13 Ag4 N14 91.9(3) .
N16 Ag4 N15 91.4(3) .
N13 Ag4 N15 171.9(3) .
N14 Ag4 N15 96.1(3) .
C118 C113 C114 118.4(9) .
C118 C113 C108 121.6(9) .
C114 C113 C108 119.8(10) .
F31 C114 C115 117.9(10) .
F31 C114 C113 121.2(8) .
C115 C114 C113 120.9(11) .
F32 C115 C116 121.4(9) .
F32 C115 C114 119.7(12) .
C116 C115 C114 118.9(10) .
C115 C116 C117 121.8(10) .
C115 C116 F33 119.0(11) .
C117 C116 F33 119.1(12) .
F34 C117 C116 121.2(10) .
F34 C117 C118 119.5(12) .
C116 C117 C118 119.2(13) .
F35 C118 C113 121.6(9) .
F35 C118 C117 117.6(11) .
C113 C118 C117 120.7(11) .
O1 C128 C125 107.7(11) .
O1 C128 H33 110.2 .
C125 C128 H33 110.2 .
O1 C128 H34 110.2 .
C125 C128 H34 110.2 .
H33 C128 H34 108.5 .
C126 C125 C128 102.6(11) .
C126 C125 H35 111.2 .
C128 C125 H35 111.2 .
C126 C125 H36 111.2 .
C128 C125 H36 111.2 .
H35 C125 H36 109.2 .
C125 C126 C127 105.6(11) .
C125 C126 H37 110.6 .
C127 C126 H37 110.6 .
C125 C126 H38 110.6 .
C127 C126 H38 110.6 .
H37 C126 H38 108.8 .
O1 C127 C126 103.1(10) .
O1 C127 H39 111.1 .
C126 C127 H39 111.1 .
O1 C127 H40 111.1 .
C126 C127 H40 111.1 .
H39 C127 H40 109.1 .
C128 O1 C127 109.2(10) .
C94 N13 C97 111.0(7) .
C94 N13 Ag4 116.2(5) .
C97 N13 Ag4 130.4(6) .
C102 N14 C99 109.3(7) .
C102 N14 Ag4 124.8(6) .
C99 N14 Ag4 125.7(6) .
C104 N15 C107 111.0(7) .
C104 N15 Ag4 123.4(6) .
C107 N15 Ag4 125.6(6) .
C109 N16 C112 111.3(7) .
C109 N16 Ag4 131.3(6) .
C112 N16 Ag4 116.7(5) .
C136 C135 C140 118(3) .
C136 C135 C72 128(3) .
C140 C135 C72 113(3) .
C137 C136 C135 126(3) .
C137 C136 F44 116(3) .
C135 C136 F44 118(2) .
F45 C137 C136 124(3) .
F45 C137 C138 119(3) .
C136 C137 C138 117(3) .
F46 C138 C139 122(3) .
F46 C138 C137 118(4) .
C139 C138 C137 120(3) .
F47 C139 C138 118(4) .
F47 C139 C140 122(4) .
C138 C139 C140 119(3) .
F48 C140 C135 122(4) .
F48 C140 C139 118(4) .
C135 C140 C139 120(4) .
C134 C129 C130 113.5(19) .
C134 C129 C46 121.6(18) .
C130 C129 C46 124.6(19) .
F40 C130 C129 120.5(19) .
F40 C130 C131 119(2) .
C129 C130 C131 121(2) .
C132 C131 F49 123(3) .
C132 C131 C130 121(2) .
F49 C131 C130 116(3) .
C131 C132 C133 121(3) .
C131 C132 F41 120(3) .
C133 C132 F41 120(3) .
C132 C133 C134 117(3) .
C132 C133 F43 117(3) .
C134 C133 F43 124(3) .
C129 C134 C133 126(2) .
C129 C134 F42 120(2) .
C133 C134 F42 106(2) .
C120 C119 C124 120.0 .
C120 C119 C103 114.1(10) .
C124 C119 C103 125.9(10) .
F36 C120 C121 118.1(13) .
F36 C120 C119 121.5(13) .
C121 C120 C119 120.0 .
F37 C121 C120 122.3(17) .
F37 C121 C122 116.7(17) .
C120 C121 C122 120.0 .
F51 C122 C123 120.0(17) .
F51 C122 C121 120.0(17) .
C123 C122 C121 120.0 .
F50 C123 C122 121.3(14) .
F50 C123 C124 118.4(15) .
C122 C123 C124 120.0 .
F39 C124 C123 119.7(12) .
F39 C124 C119 120.0(12) .
C123 C124 C119 120.0 .
C142 C141 C154 120.0 .
C142 C141 C103 131.7(13) .
C154 C141 C103 108.3(13) .
F52 C142 C141 119.5(17) .
F52 C142 C143 120.4(17) .
C141 C142 C143 120.0 .
F53 C143 C156 120.7(18) .
F53 C143 C142 119.3(18) .
C156 C143 C142 120.0 .
F60 C156 C143 124(2) .
F60 C156 C155 116(2) .
C143 C156 C155 120.0 .
F59 C155 C154 115(2) .
F59 C155 C156 124(2) .
C154 C155 C156 120.0 .
C155 C154 C141 120.0 .
C155 C154 F61 120.6(16) .
C141 C154 F61 119.4(16) .
C148 C147 C144 120.0 .
C148 C147 C10 124.7(15) .
C144 C147 C10 115.0(14) .
F58 C148 C147 97(2) .
F58 C148 C149 113(2) .
C147 C148 C149 120.0 .
F57 C149 C146 106(3) .
F57 C149 C148 134(3) .
C146 C149 C148 120.0 .
F54 C146 C145 122(2) .
F54 C146 C149 117(2) .
C145 C146 C149 120.0 .
F55 C145 C144 124(2) .
F55 C145 C146 116(2) .
C144 C145 C146 120.0 .
F56 C144 C145 119.5(18) .
F56 C144 C147 120.3(18) .
C145 C144 C147 120.0 .
C163 C162 C161 109.9(16) .
C163 C162 H49 109.7 .
C161 C162 H49 109.7 .
C163 C162 H50 109.7 .
C161 C162 H50 109.7 .
H49 C162 H50 108.2 .
C164 C163 C162 116.0(16) .
C164 C163 H51 108.3 .
C162 C163 H51 108.3 .
C164 C163 H52 108.3 .
C162 C163 H52 108.3 .
H51 C163 H52 107.4 .
C163 C164 C165 117.9(15) .
C163 C164 H53 107.8 .
C165 C164 H53 107.8 .
C163 C164 H54 107.8 .
C165 C164 H54 107.8 .
H53 C164 H54 107.2 .
C162 C161 H55 109.5 .
C162 C161 H56 109.5 .
H55 C161 H56 109.5 .
C162 C161 H57 109.5 .
H55 C161 H57 109.5 .
H56 C161 H57 109.5 .
C166 C165 C164 114.5(16) .
C166 C165 H58 108.6 .
C164 C165 H58 108.6 .
C166 C165 H59 108.6 .
C164 C165 H59 108.6 .
H58 C165 H59 107.6 .
C167 C166 C165 116.3(18) .
C167 C166 H60 108.2 .
C165 C166 H60 108.2 .
C167 C166 H61 108.2 .
C165 C166 H61 108.2 .
H60 C166 H61 107.4 .
C166 C167 H103 109.5 .
C166 C167 H104 109.5 .
H103 C167 H104 109.5 .
C166 C167 H105 109.5 .
H103 C167 H105 109.5 .
H104 C167 H105 109.5 .
C168 C169 C170 137(3) .
C168 C169 H128 102.9 .
C170 C169 H128 102.9 .
C168 C169 H129 102.8 .
C170 C169 H129 102.8 .
H128 C169 H129 105.0 .
C171 C170 C169 137(2) .
C171 C170 H130 102.9 .
C169 C170 H130 102.9 .
C171 C170 H131 102.9 .
C169 C170 H131 102.9 .
H130 C170 H131 105.1 .
C170 C171 C172 138(3) .
C170 C171 H132 102.7 .
C172 C171 H132 102.7 .
C170 C171 H133 102.7 .
C172 C171 H133 102.7 .
H132 C171 H133 105.0 .
C169 C168 H134 109.4 .
C169 C168 H135 109.5 .
H134 C168 H135 109.5 .
C169 C168 H136 109.4 .
H134 C168 H136 109.5 .
H135 C168 H136 109.5 .
C174 C173 C172 132.5(19) .
C174 C173 H137 104.1 .
C172 C173 H137 104.1 .
C174 C173 H138 104.1 .
C172 C173 H138 104.1 .
H137 C173 H138 105.5 .
C171 C172 C173 135(2) .
C171 C172 H139 103.5 .
C173 C172 H139 103.5 .
C171 C172 H140 103.5 .
C173 C172 H140 103.5 .
H139 C172 H140 105.3 .
C173 C174 H141 109.5 .
C173 C174 H142 109.5 .
H141 C174 H142 109.5 .
C173 C174 H143 109.5 .
H141 C174 H143 109.5 .
H142 C174 H143 109.5 .
C176 C177 C178 165(3) .
C176 C177 H65 94.6 .
C178 C177 H65 94.6 .
C176 C177 H66 94.6 .
C178 C177 H66 94.6 .
H65 C177 H66 103.2 .
C177 C178 C179 163(3) .
C177 C178 H67 95.3 .
C179 C178 H67 95.3 .
C177 C178 H68 95.3 .
C179 C178 H68 95.3 .
H67 C178 H68 103.3 .
C177 C176 C175 167(5) .
C177 C176 H69 94.1 .
C175 C176 H69 94.1 .
C177 C176 H70 94.1 .
C175 C176 H70 94.1 .
H69 C176 H70 103.1 .
C176 C175 H71 109.5 .
C176 C175 H72 109.5 .
H71 C175 H72 109.5 .
C176 C175 H73 109.5 .
H71 C175 H73 109.5 .
H72 C175 H73 109.5 .
C178 C179 C180 157(3) .
C178 C179 H74 97.1 .
C180 C179 H74 97.1 .
C178 C179 H75 97.1 .
C180 C179 H75 97.1 .
H74 C179 H75 103.5 .
C181 C180 C179 156(3) .
C181 C180 H76 97.4 .
C179 C180 H76 97.4 .
C181 C180 H77 97.4 .
C179 C180 H77 97.4 .
H76 C180 H77 103.6 .
C180 C181 H100 109.5 .
C180 C181 H101 109.5 .
H100 C181 H101 109.5 .
C180 C181 H102 109.5 .
H100 C181 H102 109.5 .
H101 C181 H102 109.5 .
C182 O2 C185 126(5) .
C185 C184 C183 113(5) .
C185 C184 H41 109.0 .
C183 C184 H41 109.0 .
C185 C184 H42 109.0 .
C183 C184 H42 109.0 .
H41 C184 H42 107.8 .
O2 C185 C184 90(4) .
O2 C185 H43 113.6 .
C184 C185 H43 113.6 .
O2 C185 H44 113.6 .
C184 C185 H44 113.6 .
H43 C185 H44 110.9 .
O2 C182 C183 92(4) .
O2 C182 H45 113.3 .
C183 C182 H45 113.3 .
O2 C182 H46 113.3 .
C183 C182 H46 113.3 .
H45 C182 H46 110.6 .
C182 C183 C184 102(4) .
C182 C183 H47 111.3 .
C184 C183 H47 111.3 .
C182 C183 H48 111.3 .
C184 C183 H48 111.3 .
H47 C183 H48 109.2 .
C189 C188 C187 108(2) .
C189 C188 H106 110.1 .
C187 C188 H106 110.1 .
C189 C188 H107 110.1 .
C187 C188 H107 110.1 .
H106 C188 H107 108.4 .
C191 C192 H125 109.5 .
C191 C192 H126 109.5 .
H125 C192 H126 109.5 .
C191 C192 H127 109.5 .
H125 C192 H127 109.5 .
H126 C192 H127 109.5 .
C188 C189 C190 113(2) .
C188 C189 H111 108.9 .
C190 C189 H111 108.9 .
C188 C189 H112 108.9 .
C190 C189 H112 108.9 .
H111 C189 H112 107.7 .
C188 C187 C186 107(2) .
C188 C187 H113 110.2 .
C186 C187 H113 110.2 .
C188 C187 H114 110.2 .
C186 C187 H114 110.2 .
H113 C187 H114 108.5 .
C187 C186 H122 109.5 .
C187 C186 H123 109.5 .
H122 C186 H123 109.5 .
C187 C186 H124 109.5 .
H122 C186 H124 109.5 .
H123 C186 H124 109.5 .
C189 C190 C191 105(2) .
C189 C190 H118 110.7 .
C191 C190 H118 110.7 .
C189 C190 H119 110.7 .
C191 C190 H119 110.7 .
H118 C190 H119 108.8 .
C192 C191 C190 113(2) .
C192 C191 H120 109.1 .
C190 C191 H120 109.1 .
C192 C191 H121 109.1 .
C190 C191 H121 109.1 .
H120 C191 H121 107.8 .
C197 C198 C199 136(3) .
C197 C198 H144 103.1 .
C199 C198 H144 103.1 .
C197 C198 H145 103.1 .
C199 C198 H145 103.1 .
H144 C198 H145 105.1 .
C198 C197 H146 109.5 .
C198 C197 H147 109.5 .
H146 C197 H147 109.5 .
C198 C197 H148 109.5 .
H146 C197 H148 109.5 .
H147 C197 H148 109.5 .
C203 C202 C201 137(4) .
C203 C202 H149 102.8 .
C201 C202 H149 102.8 .
C203 C202 H150 102.8 .
C201 C202 H150 102.8 .
H149 C202 H150 105.0 .
C201 C200 C199 135(4) .
C201 C200 H151 103.4 .
C199 C200 H151 103.4 .
C201 C200 H152 103.4 .
C199 C200 H152 103.4 .
H151 C200 H152 105.2 .
C202 C201 C200 135(4) .
C202 C201 H153 103.3 .
C200 C201 H153 103.3 .
C202 C201 H154 103.3 .
C200 C201 H154 103.3 .
H153 C201 H154 105.2 .
C202 C203 H155 109.5 .
C202 C203 H156 109.5 .
H155 C203 H156 109.5 .
C202 C203 H157 109.5 .
H155 C203 H157 109.5 .
H156 C203 H157 109.5 .
C198 C199 C200 136(3) .
C198 C199 H158 103.2 .
C200 C199 H158 103.2 .
C198 C199 H159 103.2 .
C200 C199 H159 103.2 .
H158 C199 H159 105.2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.354(14) .
C1 C2 1.433(15) .
C1 C19 1.438(14) .
C2 C3 1.379(16) .
C2 H1 0.9500 .
C3 C4 1.416(18) .
C3 H2 0.9500 .
C4 N1 1.389(13) .
C4 C5 1.420(18) .
C5 C6 1.393(19) .
C5 C20 1.505(16) .
C6 N2 1.346(16) .
C6 C7 1.420(19) .
C7 C8 1.34(2) .
C7 H3 0.9500 .
C8 C9 1.446(17) .
C8 H4 0.9500 .
C9 C10 1.361(19) .
C9 N2 1.388(17) .
C10 C11 1.417(16) .
C10 C26 1.443(19) .
C10 C147 1.57(2) .
C11 N3 1.384(14) .
C11 C12 1.396(17) .
C12 C13 1.339(14) .
C12 H5 0.9500 .
C13 C14 1.424(14) .
C13 H6 0.9500 .
C14 N3 1.393(12) .
C14 C15 1.426(13) .
C15 C16 1.414(14) .
C15 C36 1.478(14) .
C16 N4 1.351(11) .
C16 C17 1.439(13) .
C17 C18 1.373(13) .
C17 H7 0.9500 .
C18 C19 1.439(14) .
C18 H8 0.9500 .
C19 N4 1.342(12) .
N1 Ag1 1.894(10) .
N2 Ag1 1.968(9) .
N3 Ag1 1.938(9) .
N4 Ag1 1.941(8) .
C20 C25 1.371(17) .
C20 C21 1.387(17) .
C21 F1 1.318(16) .
C21 C22 1.378(18) .
C22 F2 1.366(15) .
C22 C23 1.39(2) .
C23 C24 1.320(18) .
C23 F3 1.363(14) .
C24 F4 1.336(15) .
C24 C25 1.388(16) .
F5 C25 1.317(13) .
C26 C27 1.3900 .
C26 C31 1.3900 .
C27 F6 1.35(2) .
C27 C28 1.3900 .
C28 F7 1.30(2) .
C28 C29 1.3900 .
C29 F8 1.32(2) .
C29 C30 1.3900 .
C30 F9 1.39(3) .
C30 C31 1.3900 .
C31 F10 1.66(3) .
C32 N5 1.377(11) .
C32 C33 1.385(15) .
C32 C50 1.421(15) .
C33 C34 1.364(14) .
C33 H9 0.9500 .
C34 C35 1.440(12) .
C34 H10 0.9500 .
C35 N5 1.382(13) .
C35 C36 1.423(12) .
C36 C37 1.405(12) .
C37 N6 1.374(11) .
C37 C38 1.458(11) .
C38 C39 1.339(12) .
C38 H11 0.9500 .
C39 C40 1.432(12) .
C39 H12 0.9500 .
C40 N6 1.374(10) .
C40 C41 1.399(12) .
C41 C42 1.414(13) .
C41 C51 1.500(12) .
C42 N7 1.371(12) .
C42 C43 1.428(13) .
C43 C44 1.355(15) .
C43 H13 0.9500 .
C44 C45 1.447(16) .
C44 H14 0.9500 .
C45 N7 1.390(12) .
C45 C46 1.412(15) .
C46 C47 1.381(16) .
C46 C129 1.43(2) .
C46 C57 1.672(16) .
C47 N8 1.349(13) .
C47 C48 1.415(16) .
C48 C49 1.376(19) .
C48 H15 0.9500 .
C49 C50 1.439(14) .
C49 H16 0.9500 .
C50 N8 1.371(13) .
C51 C56 1.363(12) .
C51 C52 1.384(13) .
C52 F15 1.342(11) .
C52 C53 1.366(13) .
C53 F14 1.343(10) .
C53 C54 1.360(13) .
C54 F13 1.337(9) .
C54 C55 1.357(12) .
C55 F12 1.345(10) .
C55 C56 1.376(12) .
C56 F11 1.343(9) .
N5 Ag2 1.900(8) .
N6 Ag2 1.951(7) .
N7 Ag2 1.932(8) .
N8 Ag2 1.941(8) .
C57 C58 1.3900 .
C57 C62 1.3900 .
C58 F16 1.29(3) .
C58 C59 1.3900 .
C59 F17 1.16(5) .
C59 C60 1.3900 .
C60 F18 1.342(16) .
C60 C61 1.3900 .
C61 F19 1.36(2) .
C61 C62 1.3900 .
C62 F20 1.319(18) .
C63 N9 1.374(10) .
C63 C81 1.419(12) .
C63 C64 1.424(12) .
C64 C65 1.383(12) .
C64 H17 0.9500 .
C65 C66 1.408(13) .
C65 H18 0.9500 .
C66 N9 1.372(11) .
C66 C67 1.420(12) .
C67 C68 1.412(12) .
C67 C67 1.482(17) 2
C68 N10 1.394(11) .
C68 C69 1.441(11) .
C69 C70 1.361(13) .
C69 H19 0.9500 .
C70 C71 1.443(12) .
C70 H20 0.9500 .
C71 N10 1.362(10) .
C71 C72 1.406(12) .
C72 C73 1.403(12) .
C72 C88 1.501(17) .
C72 C135 1.55(4) .
C73 N11 1.362(10) .
C73 C74 1.438(12) .
C74 C75 1.344(14) .
C74 H21 0.9500 .
C75 C76 1.424(11) .
C75 H22 0.9500 .
C76 N11 1.384(11) .
C76 C77 1.406(12) .
C77 C78 1.407(12) .
C77 C82 1.506(12) .
C78 N12 1.372(11) .
C78 C79 1.422(12) .
C79 C80 1.380(12) .
C79 H23 0.9500 .
C80 C81 1.425(12) .
C80 H24 0.9500 .
C81 N12 1.366(10) .
N9 Ag3 1.916(7) .
N10 Ag3 1.948(7) .
N11 Ag3 1.958(7) .
N12 Ag3 1.922(7) .
C82 C87 1.361(16) .
C82 C83 1.368(14) .
C83 F21 1.325(13) .
C83 C84 1.414(16) .
C84 F22 1.321(16) .
C84 C85 1.40(2) .
C85 F23 1.336(13) .
C85 C86 1.34(2) .
C86 F24 1.338(15) .
C86 C87 1.383(17) .
C87 F25 1.361(15) .
F26 C89 1.34(3) .
F27 C90 1.32(2) .
F28 C91 1.33(2) .
C88 C93 1.35(2) .
C88 C89 1.41(4) .
C89 C90 1.34(4) .
C90 C91 1.38(3) .
C91 C92 1.36(3) .
C92 F29 1.29(2) .
C92 C93 1.40(2) .
C93 F30 1.34(2) .
C94 N13 1.358(11) .
C94 C95 1.418(12) .
C94 C112 1.427(12) .
C95 C96 1.382(12) .
C95 H25 0.9500 .
C96 C97 1.411(13) .
C96 H26 0.9500 .
C97 N13 1.373(11) .
C97 C98 1.427(12) .
C98 C99 1.393(13) .
C98 C98 1.515(17) 2_655
C99 N14 1.415(11) .
C99 C100 1.425(12) .
C100 C101 1.332(14) .
C100 H27 0.9500 .
C101 C102 1.431(13) .
C101 H28 0.9500 .
C102 N14 1.358(12) .
C102 C103 1.424(14) .
C103 C104 1.392(13) .
C103 C119 1.496(13) .
C103 C141 1.714(18) .
C104 N15 1.358(11) .
C104 C105 1.442(13) .
C105 C106 1.380(14) .
C105 H29 0.9500 .
C106 C107 1.422(13) .
C106 H30 0.9500 .
C107 N15 1.391(11) .
C107 C108 1.398(12) .
C108 C109 1.408(12) .
C108 C113 1.501(12) .
C109 N16 1.361(10) .
C109 C110 1.426(12) .
C110 C111 1.379(12) .
C110 H31 0.9500 .
C111 C112 1.401(11) .
C111 H32 0.9500 .
C112 N16 1.371(11) .
Ag4 N16 1.921(7) .
Ag4 N13 1.927(7) .
Ag4 N14 1.933(7) .
Ag4 N15 1.943(7) .
C113 C118 1.368(15) .
C113 C114 1.405(15) .
C114 F31 1.307(12) .
C114 C115 1.386(13) .
C115 F32 1.328(13) .
C115 C116 1.364(17) .
C116 C117 1.363(17) .
C116 F33 1.368(11) .
C117 F34 1.344(15) .
C117 C118 1.403(14) .
C118 F35 1.332(12) .
C128 O1 1.366(16) .
C128 C125 1.51(2) .
C128 H33 0.9900 .
C128 H34 0.9900 .
C125 C126 1.518(18) .
C125 H35 0.9900 .
C125 H36 0.9900 .
C126 C127 1.518(18) .
C126 H37 0.9900 .
C126 H38 0.9900 .
C127 O1 1.407(13) .
C127 H39 0.9900 .
C127 H40 0.9900 .
F44 C136 1.38(3) .
F45 C137 1.34(4) .
F46 C138 1.34(4) .
F47 C139 1.29(4) .
F48 C140 1.29(5) .
C135 C136 1.36(5) .
C135 C140 1.40(5) .
C136 C137 1.34(4) .
C137 C138 1.44(5) .
C138 C139 1.40(6) .
C139 C140 1.41(6) .
C129 C134 1.33(3) .
C129 C130 1.38(3) .
C130 F40 1.28(2) .
C130 C131 1.41(3) .
C131 C132 1.31(4) .
C131 F49 1.37(3) .
C132 C133 1.31(4) .
C132 F41 1.36(3) .
C133 C134 1.41(3) .
C133 F43 1.44(4) .
C134 F42 1.42(3) .
C119 C120 1.3900 .
C119 C124 1.3900 .
C120 F36 1.25(2) .
C120 C121 1.3900 .
C121 F37 1.30(2) .
C121 C122 1.3900 .
C122 F51 1.329(15) .
C122 C123 1.3900 .
C123 F50 1.38(3) .
C123 C124 1.3900 .
C124 F39 1.287(19) .
F52 C142 1.27(2) .
F53 C143 1.32(3) .
F59 C155 1.28(3) .
F60 C156 1.23(2) .
F61 C154 1.41(3) .
C141 C142 1.3900 .
C141 C154 1.3900 .
C142 C143 1.3900 .
C143 C156 1.3900 .
C156 C155 1.3900 .
C155 C154 1.3900 .
F54 C146 1.36(2) .
F55 C145 1.28(3) .
F56 C144 1.39(3) .
F57 C149 1.14(3) .
F58 C148 1.35(4) .
C147 C148 1.3900 .
C147 C144 1.3900 .
C148 C149 1.3900 .
C149 C146 1.3900 .
C146 C145 1.3900 .
C145 C144 1.3900 .
C162 C163 1.535(18) .
C162 C161 1.560(18) .
C162 H49 0.9900 .
C162 H50 0.9900 .
C163 C164 1.470(17) .
C163 H51 0.9900 .
C163 H52 0.9900 .
C164 C165 1.528(17) .
C164 H53 0.9900 .
C164 H54 0.9900 .
C161 H55 0.9800 .
C161 H56 0.9800 .
C161 H57 0.9800 .
C165 C166 1.519(19) .
C165 H58 0.9900 .
C165 H59 0.9900 .
C166 C167 1.503(18) .
C166 H60 0.9900 .
C166 H61 0.9900 .
C167 H103 0.9800 .
C167 H104 0.9800 .
C167 H105 0.9800 .
C169 C168 1.496(10) .
C169 C170 1.500(10) .
C169 H128 0.9900 .
C169 H129 0.9900 .
C170 C171 1.495(10) .
C170 H130 0.9900 .
C170 H131 0.9900 .
C171 C172 1.495(10) .
C171 H132 0.9900 .
C171 H133 0.9900 .
C168 H134 0.9800 .
C168 H135 0.9800 .
C168 H136 0.9800 .
C173 C174 1.517(10) .
C173 C172 1.518(10) .
C173 H137 0.9900 .
C173 H138 0.9900 .
C172 H139 0.9900 .
C172 H140 0.9900 .
C174 H141 0.9800 .
C174 H142 0.9800 .
C174 H143 0.9800 .
C177 C176 1.515(10) .
C177 C178 1.519(9) .
C177 H65 0.9900 .
C177 H66 0.9900 .
C178 C179 1.530(10) .
C178 H67 0.9900 .
C178 H68 0.9900 .
C176 C175 1.519(9) .
C176 H69 0.9900 .
C176 H70 0.9900 .
C175 H71 0.9800 .
C175 H72 0.9800 .
C175 H73 0.9800 .
C179 C180 1.539(10) .
C179 H74 0.9900 .
C179 H75 0.9900 .
C180 C181 1.537(10) .
C180 H76 0.9900 .
C180 H77 0.9900 .
C181 H100 0.9800 .
C181 H101 0.9800 .
C181 H102 0.9800 .
O2 C182 1.443(10) .
O2 C185 1.449(10) .
C184 C185 1.526(10) .
C184 C183 1.532(10) .
C184 H41 0.9900 .
C184 H42 0.9900 .
C185 H43 0.9900 .
C185 H44 0.9900 .
C182 C183 1.531(10) .
C182 H45 0.9900 .
C182 H46 0.9900 .
C183 H47 0.9900 .
C183 H48 0.9900 .
C188 C189 1.487(18) .
C188 C187 1.521(18) .
C188 H106 0.9900 .
C188 H107 0.9900 .
C192 C191 1.442(19) .
C192 H125 0.9800 .
C192 H126 0.9800 .
C192 H127 0.9800 .
C189 C190 1.487(18) .
C189 H111 0.9900 .
C189 H112 0.9900 .
C187 C186 1.525(19) .
C187 H113 0.9900 .
C187 H114 0.9900 .
C186 H122 0.9800 .
C186 H123 0.9800 .
C186 H124 0.9800 .
C190 C191 1.542(19) .
C190 H118 0.9900 .
C190 H119 0.9900 .
C191 H120 0.9900 .
C191 H121 0.9900 .
C198 C197 1.52(2) .
C198 C199 1.54(2) .
C198 H144 0.9900 .
C198 H145 0.9900 .
C197 H146 0.9800 .
C197 H147 0.9800 .
C197 H148 0.9800 .
C202 C203 1.52(2) .
C202 C201 1.54(2) .
C202 H149 0.9900 .
C202 H150 0.9900 .
C200 C201 1.55(2) .
C200 C199 1.55(2) .
C200 H151 0.9900 .
C200 H152 0.9900 .
C201 H153 0.9900 .
C201 H154 0.9900 .
C203 H155 0.9800 .
C203 H156 0.9800 .
C203 H157 0.9800 .
C199 H158 0.9900 .
C199 H159 0.9900 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C2 H1 N15 0.95 2.69 3.460(15) 138.2 4_645
C38 H11 F28 0.95 2.60 3.342(13) 135.1 3_545
C39 H12 F12 0.95 2.56 3.506(10) 171.2 2_655
C74 H21 F53 0.95 2.48 3.31(3) 146.9 2_655
C79 H23 F5 0.95 2.47 3.209(11) 134.1 1_455
C101 H28 F45 0.95 2.59 3.19(2) 120.7 2_655
C105 H29 F54 0.95 2.50 3.26(3) 137.0 2_655
C106 H30 F32 0.95 2.49 3.386(10) 156.5 7_565
C110 H31 F25 0.95 2.42 3.255(11) 146.2 4
C110 H31 F42 0.95 2.41 3.198(18) 140.0 3_455
C125 H35 F6 0.99 2.50 3.20(3) 127.9 2_755
C126 H38 F6 0.99 2.60 3.24(3) 122.0 2_755
C184 H41 F49 0.99 2.46 3.39(7) 156.5 7
C185 H44 F53 0.99 2.04 3.01(6) 163.8 3_445
C185 H44 F60 0.99 2.35 2.94(7) 117.5 3_445
C182 H45 F25 0.99 2.38 3.30(6) 154.7 4_545
C182 H46 F9 0.99 2.23 3.02(7) 134.8 8_455
C183 H48 F41 0.99 2.01 2.85(7) 141.3 3_445
C183 H48 F49 0.99 1.87 2.55(6) 122.5 3_445
C2 H1 N15 0.95 2.69 3.460(15) 138.2 4_645
C38 H11 F28 0.95 2.60 3.342(13) 135.1 3_545
C184 H41 F19 0.99 2.62 3.41(7) 136.4 7
C182 H46 F58 0.99 2.61 3.38(8) 135.4 8_455
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 -0.7(11) . .
C19 C1 C2 C3 177.9(11) . .
C1 C2 C3 C4 1.6(12) . .
C2 C3 C4 N1 -1.9(12) . .
C2 C3 C4 C5 175.1(11) . .
N1 C4 C5 C6 -0.7(16) . .
C3 C4 C5 C6 -177.3(12) . .
N1 C4 C5 C20 -179.1(9) . .
C3 C4 C5 C20 4.3(18) . .
C4 C5 C6 N2 -1.1(19) . .
C20 C5 C6 N2 177.1(11) . .
C4 C5 C6 C7 178.3(11) . .
C20 C5 C6 C7 -3.4(18) . .
N2 C6 C7 C8 1.7(15) . .
C5 C6 C7 C8 -177.9(12) . .
C6 C7 C8 C9 -2.6(16) . .
C7 C8 C9 C10 179.8(14) . .
C7 C8 C9 N2 2.4(15) . .
N2 C9 C10 C11 2(2) . .
C8 C9 C10 C11 -175.0(13) . .
N2 C9 C10 C26 -171.2(15) . .
C8 C9 C10 C26 12(2) . .
N2 C9 C10 C147 168.9(13) . .
C8 C9 C10 C147 -8(2) . .
C9 C10 C11 N3 -4(2) . .
C26 C10 C11 N3 168.6(15) . .
C147 C10 C11 N3 -171.3(13) . .
C9 C10 C11 C12 178.0(13) . .
C26 C10 C11 C12 -9(2) . .
C147 C10 C11 C12 11(2) . .
N3 C11 C12 C13 2.1(14) . .
C10 C11 C12 C13 -179.7(12) . .
C11 C12 C13 C14 -1.4(13) . .
C12 C13 C14 N3 0.2(11) . .
C12 C13 C14 C15 177.2(10) . .
N3 C14 C15 C16 0.6(15) . .
C13 C14 C15 C16 -176.0(9) . .
N3 C14 C15 C36 179.0(8) . .
C13 C14 C15 C36 2.5(14) . .
C14 C15 C16 N4 -0.3(14) . .
C36 C15 C16 N4 -178.8(8) . .
C14 C15 C16 C17 178.6(9) . .
C36 C15 C16 C17 0.1(15) . .
N4 C16 C17 C18 0.2(10) . .
C15 C16 C17 C18 -178.9(9) . .
C16 C17 C18 C19 1.0(10) . .
N1 C1 C19 N4 -0.5(11) . .
C2 C1 C19 N4 -179.1(11) . .
N1 C1 C19 C18 178.8(11) . .
C2 C1 C19 C18 0(2) . .
C17 C18 C19 N4 -1.9(10) . .
C17 C18 C19 C1 178.7(11) . .
C2 C1 N1 C4 -0.5(11) . .
C19 C1 N1 C4 -179.5(8) . .
C2 C1 N1 Ag1 -178.7(6) . .
C19 C1 N1 Ag1 2.3(10) . .
C3 C4 N1 C1 1.5(11) . .
C5 C4 N1 C1 -176.1(9) . .
C3 C4 N1 Ag1 179.3(7) . .
C5 C4 N1 Ag1 1.8(14) . .
C5 C6 N2 C9 179.4(11) . .
C7 C6 N2 C9 -0.1(13) . .
C5 C6 N2 Ag1 1.8(17) . .
C7 C6 N2 Ag1 -177.7(8) . .
C10 C9 N2 C6 -178.9(12) . .
C8 C9 N2 C6 -1.3(13) . .
C10 C9 N2 Ag1 -1.3(17) . .
C8 C9 N2 Ag1 176.3(8) . .
C12 C11 N3 C14 -1.9(12) . .
C10 C11 N3 C14 179.6(10) . .
C12 C11 N3 Ag1 -176.3(7) . .
C10 C11 N3 Ag1 5.3(15) . .
C13 C14 N3 C11 1.1(11) . .
C15 C14 N3 C11 -176.0(9) . .
C13 C14 N3 Ag1 175.5(7) . .
C15 C14 N3 Ag1 -1.7(13) . .
C1 C19 N4 C16 -178.3(8) . .
C18 C19 N4 C16 2.1(10) . .
C1 C19 N4 Ag1 -1.4(10) . .
C18 C19 N4 Ag1 179.1(6) . .
C15 C16 N4 C19 177.7(8) . .
C17 C16 N4 C19 -1.5(10) . .
C15 C16 N4 Ag1 1.3(13) . .
C17 C16 N4 Ag1 -177.9(6) . .
C1 N1 Ag1 N4 -2.4(7) . .
C4 N1 Ag1 N4 179.8(9) . .
C1 N1 Ag1 N2 176.8(7) . .
C4 N1 Ag1 N2 -1.0(9) . .
C6 C5 C20 C25 -92.2(17) . .
C4 C5 C20 C25 86.2(16) . .
C6 C5 C20 C21 79.4(17) . .
C4 C5 C20 C21 -102.2(16) . .
C25 C20 C21 F1 -178.1(15) . .
C5 C20 C21 F1 10(2) . .
C25 C20 C21 C22 -1(2) . .
C5 C20 C21 C22 -173.1(15) . .
F1 C21 C22 F2 -1(2) . .
C20 C21 C22 F2 -177.6(15) . .
F1 C21 C22 C23 178.2(16) . .
C20 C21 C22 C23 1(3) . .
F2 C22 C23 C24 177.7(15) . .
C21 C22 C23 C24 -1(3) . .
F2 C22 C23 F3 1(2) . .
C21 C22 C23 F3 -178.2(15) . .
F3 C23 C24 F4 -3(3) . .
C22 C23 C24 F4 -179.8(15) . .
F3 C23 C24 C25 177.9(15) . .
C22 C23 C24 C25 1(3) . .
C21 C20 C25 F5 -174.3(13) . .
C5 C20 C25 F5 -2(2) . .
C21 C20 C25 C24 1(2) . .
C5 C20 C25 C24 172.9(15) . .
C23 C24 C25 F5 174.5(15) . .
F4 C24 C25 F5 -5(2) . .
C23 C24 C25 C20 -1(3) . .
F4 C24 C25 C20 179.8(15) . .
C9 C10 C26 C27 101.5(17) . .
C11 C10 C26 C27 -72(2) . .
C9 C10 C26 C31 -80.5(18) . .
C11 C10 C26 C31 105.7(17) . .
C31 C26 C27 F6 -176(2) . .
C10 C26 C27 F6 2(2) . .
C31 C26 C27 C28 0.0 . .
C10 C26 C27 C28 178(2) . .
F6 C27 C28 F7 -1(2) . .
C26 C27 C28 F7 -177(2) . .
F6 C27 C28 C29 176(2) . .
C26 C27 C28 C29 0.0 . .
F7 C28 C29 F8 -8(3) . .
C27 C28 C29 F8 174(3) . .
F7 C28 C29 C30 177(2) . .
C27 C28 C29 C30 0.0 . .
F8 C29 C30 F9 -27(3) . .
C28 C29 C30 F9 147(3) . .
F8 C29 C30 C31 -174(3) . .
C28 C29 C30 C31 0.0 . .
F9 C30 C31 C26 -147(3) . .
C29 C30 C31 C26 0.0 . .
F9 C30 C31 F10 50(3) . .
C29 C30 C31 F10 -163(2) . .
C27 C26 C31 C30 0.0 . .
C10 C26 C31 C30 -178(2) . .
C27 C26 C31 F10 163(2) . .
C10 C26 C31 F10 -15(2) . .
N5 C32 C33 C34 1.0(12) . .
C50 C32 C33 C34 177.4(13) . .
C32 C33 C34 C35 -1.0(12) . .
C33 C34 C35 N5 0.6(11) . .
C33 C34 C35 C36 -179.0(11) . .
N5 C35 C36 C37 3.0(15) . .
C34 C35 C36 C37 -177.5(10) . .
N5 C35 C36 C15 -176.3(9) . .
C34 C35 C36 C15 3.2(17) . .
C16 C15 C36 C37 64.4(12) . .
C14 C15 C36 C37 -114.2(9) . .
C16 C15 C36 C35 -116.3(10) . .
C14 C15 C36 C35 65.2(12) . .
C35 C36 C37 N6 1.1(15) . .
C15 C36 C37 N6 -179.6(9) . .
C35 C36 C37 C38 -178.7(9) . .
C15 C36 C37 C38 0.6(14) . .
N6 C37 C38 C39 -0.8(10) . .
C36 C37 C38 C39 179.1(9) . .
C37 C38 C39 C40 -0.4(10) . .
C38 C39 C40 N6 1.5(10) . .
C38 C39 C40 C41 -177.8(9) . .
N6 C40 C41 C42 -4.8(14) . .
C39 C40 C41 C42 174.3(9) . .
N6 C40 C41 C51 175.5(8) . .
C39 C40 C41 C51 -5.4(14) . .
C40 C41 C42 N7 2.5(15) . .
C51 C41 C42 N7 -177.8(8) . .
C40 C41 C42 C43 -178.5(9) . .
C51 C41 C42 C43 1.2(14) . .
N7 C42 C43 C44 -1.2(11) . .
C41 C42 C43 C44 179.6(10) . .
C42 C43 C44 C45 0.9(12) . .
C43 C44 C45 N7 -0.2(12) . .
C43 C44 C45 C46 179.0(10) . .
N7 C45 C46 C47 0.1(16) . .
C44 C45 C46 C47 -179.1(10) . .
N7 C45 C46 C129 -174.3(13) . .
C44 C45 C46 C129 6.6(19) . .
N7 C45 C46 C57 179.3(10) . .
C44 C45 C46 C57 0.2(14) . .
C45 C46 C47 N8 -0.3(16) . .
C129 C46 C47 N8 174.9(12) . .
C57 C46 C47 N8 -179.3(11) . .
C45 C46 C47 C48 -179.4(11) . .
C129 C46 C47 C48 -4.2(18) . .
C57 C46 C47 C48 2(2) . .
N8 C47 C48 C49 0.4(12) . .
C46 C47 C48 C49 179.6(11) . .
C47 C48 C49 C50 -1.0(13) . .
N5 C32 C50 N8 -2.6(12) . .
C33 C32 C50 N8 -179.0(12) . .
N5 C32 C50 C49 178.2(12) . .
C33 C32 C50 C49 2(2) . .
C48 C49 C50 N8 1.2(11) . .
C48 C49 C50 C32 -179.6(13) . .
C40 C41 C51 C56 103.2(10) . .
C42 C41 C51 C56 -76.6(11) . .
C40 C41 C51 C52 -76.8(11) . .
C42 C41 C51 C52 103.5(10) . .
C56 C51 C52 F15 -177.4(8) . .
C41 C51 C52 F15 2.6(14) . .
C56 C51 C52 C53 2.0(14) . .
C41 C51 C52 C53 -178.1(9) . .
F15 C52 C53 F14 -1.7(14) . .
C51 C52 C53 F14 178.9(9) . .
F15 C52 C53 C54 178.9(9) . .
C51 C52 C53 C54 -0.5(15) . .
F14 C53 C54 F13 -0.9(13) . .
C52 C53 C54 F13 178.5(8) . .
F14 C53 C54 C55 178.3(8) . .
C52 C53 C54 C55 -2.3(14) . .
F13 C54 C55 F12 3.4(12) . .
C53 C54 C55 F12 -175.7(8) . .
F13 C54 C55 C56 -177.4(8) . .
C53 C54 C55 C56 3.5(13) . .
C52 C51 C56 F11 176.7(8) . .
C41 C51 C56 F11 -3.3(13) . .
C52 C51 C56 C55 -0.8(13) . .
C41 C51 C56 C55 179.3(8) . .
F12 C55 C56 F11 -0.2(12) . .
C54 C55 C56 F11 -179.4(8) . .
F12 C55 C56 C51 177.3(8) . .
C54 C55 C56 C51 -1.9(13) . .
C33 C32 N5 C35 -0.7(11) . .
C50 C32 N5 C35 -178.2(8) . .
C33 C32 N5 Ag2 -179.3(7) . .
C50 C32 N5 Ag2 3.1(11) . .
C36 C35 N5 C32 179.7(9) . .
C34 C35 N5 C32 0.0(11) . .
C36 C35 N5 Ag2 -1.9(14) . .
C34 C35 N5 Ag2 178.5(7) . .
C41 C40 N6 C37 177.3(8) . .
C39 C40 N6 C37 -2.0(10) . .
C41 C40 N6 Ag2 5.2(12) . .
C39 C40 N6 Ag2 -174.1(6) . .
C36 C37 N6 C40 -178.1(9) . .
C38 C37 N6 C40 1.8(9) . .
C36 C37 N6 Ag2 -6.0(13) . .
C38 C37 N6 Ag2 173.8(6) . .
C41 C42 N7 C45 -179.7(9) . .
C43 C42 N7 C45 1.1(11) . .
C41 C42 N7 Ag2 -0.8(13) . .
C43 C42 N7 Ag2 -180.0(6) . .
C46 C45 N7 C42 -179.9(9) . .
C44 C45 N7 C42 -0.6(10) . .
C46 C45 N7 Ag2 1.2(13) . .
C44 C45 N7 Ag2 -179.5(6) . .
C46 C47 N8 C50 -178.9(9) . .
C48 C47 N8 C50 0.4(11) . .
C46 C47 N8 Ag2 -0.9(15) . .
C48 C47 N8 Ag2 178.5(7) . .
C32 C50 N8 C47 179.5(9) . .
C49 C50 N8 C47 -1.0(11) . .
C32 C50 N8 Ag2 1.2(11) . .
C49 C50 N8 Ag2 -179.4(6) . .
C32 N5 Ag2 N8 -2.1(7) . .
C35 N5 Ag2 N8 179.6(9) . .
C32 N5 Ag2 N6 176.5(7) . .
C35 N5 Ag2 N6 -1.8(9) . .
C47 C46 C57 C58 65.3(16) . .
C45 C46 C57 C58 -113.9(11) . .
C47 C46 C57 C62 -106.5(16) . .
C45 C46 C57 C62 74.3(16) . .
C62 C57 C58 F16 -136.1(19) . .
C46 C57 C58 F16 52.0(16) . .
C62 C57 C58 C59 0.0 . .
C46 C57 C58 C59 -171.9(16) . .
F16 C58 C59 F17 -25(3) . .
C57 C58 C59 F17 -154(3) . .
F16 C58 C59 C60 129(2) . .
C57 C58 C59 C60 0.0 . .
F17 C59 C60 F18 -25(3) . .
C58 C59 C60 F18 177.8(18) . .
F17 C59 C60 C61 157(3) . .
C58 C59 C60 C61 0.0 . .
F18 C60 C61 F19 11(2) . .
C59 C60 C61 F19 -171(2) . .
F18 C60 C61 C62 -177.8(18) . .
C59 C60 C61 C62 0.0 . .
F19 C61 C62 F20 -4(2) . .
C60 C61 C62 F20 -174.9(18) . .
F19 C61 C62 C57 171(2) . .
C60 C61 C62 C57 0.0 . .
C58 C57 C62 F20 174.7(19) . .
C46 C57 C62 F20 -14(2) . .
C58 C57 C62 C61 0.0 . .
C46 C57 C62 C61 171.6(17) . .
N9 C63 C64 C65 -3.0(12) . .
C81 C63 C64 C65 172.0(13) . .
C63 C64 C65 C66 1.0(12) . .
C64 C65 C66 N9 1.3(11) . .
C64 C65 C66 C67 -177.9(11) . .
N9 C66 C67 C68 -5.8(15) . .
C65 C66 C67 C68 173.3(10) . .
N9 C66 C67 C67 174.9(9) . 2
C65 C66 C67 C67 -5.9(17) . 2
C66 C67 C68 N10 -5.1(15) . .
C67 C67 C68 N10 174.1(9) 2 .
C66 C67 C68 C69 174.2(9) . .
C67 C67 C68 C69 -6.5(15) 2 .
N10 C68 C69 C70 -1.8(9) . .
C67 C68 C69 C70 178.8(9) . .
C68 C69 C70 C71 0.7(10) . .
C69 C70 C71 N10 0.6(9) . .
C69 C70 C71 C72 -178.4(8) . .
N10 C71 C72 C73 4.5(13) . .
C70 C71 C72 C73 -176.7(8) . .
N10 C71 C72 C88 -166.2(10) . .
C70 C71 C72 C88 12.6(15) . .
N10 C71 C72 C135 174.7(15) . .
C70 C71 C72 C135 -6.5(17) . .
C71 C72 C73 N11 1.4(13) . .
C88 C72 C73 N11 173.0(9) . .
C135 C72 C73 N11 -166(2) . .
C71 C72 C73 C74 -179.9(8) . .
C88 C72 C73 C74 -8.3(14) . .
C135 C72 C73 C74 13(2) . .
N11 C73 C74 C75 -0.3(10) . .
C72 C73 C74 C75 -179.2(9) . .
C73 C74 C75 C76 -0.1(11) . .
C74 C75 C76 N11 0.4(10) . .
C74 C75 C76 C77 -179.4(9) . .
N11 C76 C77 C78 -2.8(15) . .
C75 C76 C77 C78 176.9(9) . .
N11 C76 C77 C82 -179.0(8) . .
C75 C76 C77 C82 0.7(14) . .
C76 C77 C78 N12 4.3(15) . .
C82 C77 C78 N12 -179.3(9) . .
C76 C77 C78 C79 -175.3(10) . .
C82 C77 C78 C79 1.0(16) . .
N12 C78 C79 C80 -0.1(12) . .
C77 C78 C79 C80 179.6(11) . .
C78 C79 C80 C81 -0.9(12) . .
N9 C63 C81 N12 4.6(13) . .
C64 C63 C81 N12 -170.1(12) . .
N9 C63 C81 C80 -179.1(13) . .
C64 C63 C81 C80 6(3) . .
C79 C80 C81 N12 1.6(12) . .
C79 C80 C81 C63 -174.8(13) . .
C65 C66 N9 C63 -3.3(11) . .
C67 C66 N9 C63 176.1(9) . .
C65 C66 N9 Ag3 -163.7(7) . .
C67 C66 N9 Ag3 15.7(14) . .
C81 C63 N9 C66 -172.5(9) . .
C64 C63 N9 C66 3.9(11) . .
C81 C63 N9 Ag3 -9.0(11) . .
C64 C63 N9 Ag3 167.4(7) . .
C72 C71 N10 C68 177.3(8) . .
C70 C71 N10 C68 -1.8(9) . .
C72 C71 N10 Ag3 -7.3(11) . .
C70 C71 N10 Ag3 173.7(5) . .
C67 C68 N10 C71 -178.4(8) . .
C69 C68 N10 C71 2.2(9) . .
C67 C68 N10 Ag3 6.3(12) . .
C69 C68 N10 Ag3 -173.2(5) . .
C72 C73 N11 C76 179.5(8) . .
C74 C73 N11 C76 0.5(9) . .
C72 C73 N11 Ag3 -3.4(11) . .
C74 C73 N11 Ag3 177.6(6) . .
C77 C76 N11 C73 179.2(8) . .
C75 C76 N11 C73 -0.6(10) . .
C77 C76 N11 Ag3 2.1(12) . .
C75 C76 N11 Ag3 -177.6(6) . .
C63 C81 N12 C78 175.8(9) . .
C80 C81 N12 C78 -1.8(11) . .
C63 C81 N12 Ag3 1.8(11) . .
C80 C81 N12 Ag3 -175.8(7) . .
C77 C78 N12 C81 -178.5(9) . .
C79 C78 N12 C81 1.2(11) . .
C77 C78 N12 Ag3 -5.7(15) . .
C79 C78 N12 Ag3 174.1(7) . .
C76 C77 C82 C87 -97.5(12) . .
C78 C77 C82 C87 85.9(12) . .
C76 C77 C82 C83 83.2(12) . .
C78 C77 C82 C83 -93.4(11) . .
C87 C82 C83 F21 178.0(10) . .
C77 C82 C83 F21 -2.7(15) . .
C87 C82 C83 C84 -4.9(16) . .
C77 C82 C83 C84 174.4(10) . .
F21 C83 C84 F22 -4.1(17) . .
C82 C83 C84 F22 178.8(11) . .
F21 C83 C84 C85 -178.5(11) . .
C82 C83 C84 C85 4.3(18) . .
F22 C84 C85 F23 4.5(19) . .
C83 C84 C85 F23 178.8(10) . .
F22 C84 C85 C86 -175.0(12) . .
C83 C84 C85 C86 -0.7(19) . .
F23 C85 C86 F24 -1(2) . .
C84 C85 C86 F24 178.2(12) . .
F23 C85 C86 C87 178.4(11) . .
C84 C85 C86 C87 -2(2) . .
C83 C82 C87 F25 -176.5(10) . .
C77 C82 C87 F25 4.1(16) . .
C83 C82 C87 C86 2.0(17) . .
C77 C82 C87 C86 -177.3(11) . .
F24 C86 C87 C82 -178.9(11) . .
C85 C86 C87 C82 1(2) . .
F24 C86 C87 F25 -0.2(18) . .
C85 C86 C87 F25 -179.9(12) . .
C73 C72 C88 C93 94.4(16) . .
C71 C72 C88 C93 -93.5(16) . .
C73 C72 C88 C89 -90.4(18) . .
C71 C72 C88 C89 82(2) . .
C93 C88 C89 C90 0(3) . .
C72 C88 C89 C90 -176.0(19) . .
C93 C88 C89 F26 178.6(18) . .
C72 C88 C89 F26 3(3) . .
F26 C89 C90 F27 -2(3) . .
C88 C89 C90 F27 177.1(19) . .
F26 C89 C90 C91 -178.2(19) . .
C88 C89 C90 C91 1(3) . .
F27 C90 C91 F28 2(3) . .
C89 C90 C91 F28 179.0(19) . .
F27 C90 C91 C92 -176.6(17) . .
C89 C90 C91 C92 0(3) . .
F28 C91 C92 F29 3(3) . .
C90 C91 C92 F29 -178.0(18) . .
F28 C91 C92 C93 -179.9(17) . .
C90 C91 C92 C93 -1(3) . .
C89 C88 C93 F30 177.9(18) . .
C72 C88 C93 F30 -7(2) . .
C89 C88 C93 C92 -1(3) . .
C72 C88 C93 C92 174.9(15) . .
F29 C92 C93 F30 0(3) . .
C91 C92 C93 F30 -177.3(18) . .
F29 C92 C93 C88 178.3(18) . .
C91 C92 C93 C88 1(3) . .
N13 C94 C95 C96 -1.3(11) . .
C112 C94 C95 C96 170.7(12) . .
C94 C95 C96 C97 -0.2(11) . .
C95 C96 C97 N13 1.6(11) . .
C95 C96 C97 C98 -176.9(10) . .
N13 C97 C98 C99 -8.2(15) . .
C96 C97 C98 C99 170.1(10) . .
N13 C97 C98 C98 172.3(10) . 2_655
C96 C97 C98 C98 -9.4(17) . 2_655
C97 C98 C99 N14 -2.2(16) . .
C98 C98 C99 N14 177.3(10) 2_655 .
C97 C98 C99 C100 177.0(10) . .
C98 C98 C99 C100 -3.5(18) 2_655 .
C98 C99 C100 C101 177.3(11) . .
N14 C99 C100 C101 -3.4(13) . .
C99 C100 C101 C102 3.6(14) . .
C100 C101 C102 N14 -2.4(14) . .
C100 C101 C102 C103 174.8(12) . .
N14 C102 C103 C104 -1(2) . .
C101 C102 C103 C104 -177.8(12) . .
N14 C102 C103 C119 -169.5(11) . .
C101 C102 C103 C119 13.7(19) . .
N14 C102 C103 C141 155.6(12) . .
C101 C102 C103 C141 -21(2) . .
C102 C103 C104 N15 2(2) . .
C119 C103 C104 N15 169.6(12) . .
C141 C103 C104 N15 -156.8(12) . .
C102 C103 C104 C105 -178.5(13) . .
C119 C103 C104 C105 -11(2) . .
C141 C103 C104 C105 22.6(18) . .
N15 C104 C105 C106 -2.1(14) . .
C103 C104 C105 C106 178.4(12) . .
C104 C105 C106 C107 1.7(15) . .
C105 C106 C107 N15 -0.6(14) . .
C105 C106 C107 C108 -179.8(12) . .
N15 C107 C108 C109 -0.8(18) . .
C106 C107 C108 C109 178.2(11) . .
N15 C107 C108 C113 -176.2(10) . .
C106 C107 C108 C113 2.8(18) . .
C107 C108 C109 N16 5.2(16) . .
C113 C108 C109 N16 -179.2(9) . .
C107 C108 C109 C110 -175.7(11) . .
C113 C108 C109 C110 -0.2(17) . .
N16 C109 C110 C111 -2.3(11) . .
C108 C109 C110 C111 178.5(11) . .
C109 C110 C111 C112 1.2(11) . .
C110 C111 C112 N16 0.5(11) . .
C110 C111 C112 C94 -176.0(12) . .
N13 C94 C112 N16 2.0(13) . .
C95 C94 C112 N16 -169.7(12) . .
N13 C94 C112 C111 178.4(12) . .
C95 C94 C112 C111 7(2) . .
C107 C108 C113 C118 -86.8(13) . .
C109 C108 C113 C118 97.4(11) . .
C107 C108 C113 C114 97.2(12) . .
C109 C108 C113 C114 -78.7(12) . .
C118 C113 C114 F31 -179.4(9) . .
C108 C113 C114 F31 -3.2(14) . .
C118 C113 C114 C115 -1.1(15) . .
C108 C113 C114 C115 175.1(9) . .
F31 C114 C115 F32 -1.3(15) . .
C113 C114 C115 F32 -179.7(9) . .
F31 C114 C115 C116 180.0(10) . .
C113 C114 C115 C116 1.6(16) . .
F32 C115 C116 C117 -179.9(11) . .
C114 C115 C116 C117 -1.2(18) . .
F32 C115 C116 F33 2.4(17) . .
C114 C115 C116 F33 -178.9(9) . .
C115 C116 C117 F34 -176.6(11) . .
F33 C116 C117 F34 1.1(17) . .
C115 C116 C117 C118 0.3(18) . .
F33 C116 C117 C118 178.0(10) . .
C114 C113 C118 F35 179.7(9) . .
C108 C113 C118 F35 3.6(15) . .
C114 C113 C118 C117 0.2(15) . .
C108 C113 C118 C117 -175.9(9) . .
F34 C117 C118 F35 -2.4(16) . .
C116 C117 C118 F35 -179.4(10) . .
F34 C117 C118 C113 177.2(10) . .
C116 C117 C118 C113 0.2(17) . .
O1 C128 C125 C126 15.0(16) . .
C128 C125 C126 C127 6.0(15) . .
C125 C126 C127 O1 -24.0(14) . .
C125 C128 O1 C127 -32.6(16) . .
C126 C127 O1 C128 35.3(14) . .
C95 C94 N13 C97 2.4(11) . .
C112 C94 N13 C97 -171.9(8) . .
C95 C94 N13 Ag4 166.8(6) . .
C112 C94 N13 Ag4 -7.6(11) . .
C96 C97 N13 C94 -2.5(11) . .
C98 C97 N13 C94 176.2(9) . .
C96 C97 N13 Ag4 -164.0(7) . .
C98 C97 N13 Ag4 14.7(14) . .
C103 C102 N14 C99 -177.2(11) . .
C101 C102 N14 C99 0.2(12) . .
C103 C102 N14 Ag4 -2.0(16) . .
C101 C102 N14 Ag4 175.3(8) . .
C98 C99 N14 C102 -178.8(10) . .
C100 C99 N14 C102 1.9(11) . .
C98 C99 N14 Ag4 6.1(14) . .
C100 C99 N14 Ag4 -173.2(7) . .
C103 C104 N15 C107 -178.8(11) . .
C105 C104 N15 C107 1.7(13) . .
C103 C104 N15 Ag4 0.1(16) . .
C105 C104 N15 Ag4 -179.4(8) . .
C108 C107 N15 C104 178.5(11) . .
C106 C107 N15 C104 -0.7(13) . .
C108 C107 N15 Ag4 -0.4(16) . .
C106 C107 N15 Ag4 -179.6(8) . .
C108 C109 N16 C112 -178.0(9) . .
C110 C109 N16 C112 2.7(11) . .
C108 C109 N16 Ag4 -8.6(14) . .
C110 C109 N16 Ag4 172.1(7) . .
C111 C112 N16 C109 -2.0(11) . .
C94 C112 N16 C109 175.5(8) . .
C111 C112 N16 Ag4 -173.1(6) . .
C94 C112 N16 Ag4 4.4(11) . .
C73 C72 C135 C136 98(3) . .
C71 C72 C135 C136 -72(3) . .
C73 C72 C135 C140 -73(3) . .
C71 C72 C135 C140 118(2) . .
C140 C135 C136 C137 -8(5) . .
C72 C135 C136 C137 -178(3) . .
C140 C135 C136 F44 178(3) . .
C72 C135 C136 F44 8(5) . .
C135 C136 C137 F45 -175(3) . .
F44 C136 C137 F45 -1(5) . .
C135 C136 C137 C138 8(5) . .
F44 C136 C137 C138 -178(3) . .
F45 C137 C138 F46 4(5) . .
C136 C137 C138 F46 -179(3) . .
F45 C137 C138 C139 176(3) . .
C136 C137 C138 C139 -7(5) . .
F46 C138 C139 F47 -7(5) . .
C137 C138 C139 F47 -178(3) . .
F46 C138 C139 C140 178(3) . .
C137 C138 C139 C140 7(5) . .
C136 C135 C140 F48 177(3) . .
C72 C135 C140 F48 -11(5) . .
C136 C135 C140 C139 6(5) . .
C72 C135 C140 C139 178(3) . .
F47 C139 C140 F48 8(5) . .
C138 C139 C140 F48 -177(3) . .
F47 C139 C140 C135 179(3) . .
C138 C139 C140 C135 -6(5) . .
C47 C46 C129 C134 111(2) . .
C45 C46 C129 C134 -74(3) . .
C47 C46 C129 C130 -75(2) . .
C45 C46 C129 C130 100(2) . .
C134 C129 C130 F40 -179(2) . .
C46 C129 C130 F40 6(3) . .
C134 C129 C130 C131 1(4) . .
C46 C129 C130 C131 -174(2) . .
F40 C130 C131 C132 174(3) . .
C129 C130 C131 C132 -6(5) . .
F40 C130 C131 F49 2(4) . .
C129 C130 C131 F49 -178(2) . .
F49 C131 C132 C133 178(3) . .
C130 C131 C132 C133 7(5) . .
F49 C131 C132 F41 0(5) . .
C130 C131 C132 F41 -172(3) . .
C131 C132 C133 C134 -3(5) . .
F41 C132 C133 C134 176(3) . .
C131 C132 C133 F43 -169(3) . .
F41 C132 C133 F43 10(5) . .
C130 C129 C134 C133 4(4) . .
C46 C129 C134 C133 178(2) . .
C130 C129 C134 F42 148(2) . .
C46 C129 C134 F42 -37(4) . .
C132 C133 C134 C129 -3(4) . .
F43 C133 C134 C129 162(3) . .
C132 C133 C134 F42 -152(3) . .
F43 C133 C134 F42 13(4) . .
C104 C103 C119 C120 98.6(14) . .
C102 C103 C119 C120 -92.2(13) . .
C104 C103 C119 C124 -80.1(17) . .
C102 C103 C119 C124 89.1(13) . .
C124 C119 C120 F36 -173(2) . .
C103 C119 C120 F36 8(2) . .
C124 C119 C120 C121 0.0 . .
C103 C119 C120 C121 -178.7(13) . .
F36 C120 C121 F37 6(3) . .
C119 C120 C121 F37 -168(2) . .
F36 C120 C121 C122 174(2) . .
C119 C120 C121 C122 0.0 . .
F37 C121 C122 F51 -13(2) . .
C120 C121 C122 F51 178(2) . .
F37 C121 C122 C123 169(2) . .
C120 C121 C122 C123 0.0 . .
F51 C122 C123 F50 9(2) . .
C121 C122 C123 F50 -173(2) . .
F51 C122 C123 C124 -178(2) . .
C121 C122 C123 C124 0.0 . .
F50 C123 C124 F39 0(2) . .
C122 C123 C124 F39 -173(2) . .
F50 C123 C124 C119 173(2) . .
C122 C123 C124 C119 0.0 . .
C120 C119 C124 F39 173(2) . .
C103 C119 C124 F39 -8(2) . .
C120 C119 C124 C123 0.0 . .
C103 C119 C124 C123 178.6(14) . .
C104 C103 C141 C142 65.8(16) . .
C102 C103 C141 C142 -94.5(17) . .
C104 C103 C141 C154 -116.5(11) . .
C102 C103 C141 C154 83.2(14) . .
C154 C141 C142 F52 -178(2) . .
C103 C141 C142 F52 -1(2) . .
C154 C141 C142 C143 0.0 . .
C103 C141 C142 C143 177.4(17) . .
F52 C142 C143 F53 -2(3) . .
C141 C142 C143 F53 180(3) . .
F52 C142 C143 C156 178(2) . .
C141 C142 C143 C156 0.0 . .
F53 C143 C156 F60 4(3) . .
C142 C143 C156 F60 -177(3) . .
F53 C143 C156 C155 -180(3) . .
C142 C143 C156 C155 0.0 . .
F60 C156 C155 F59 -2(3) . .
C143 C156 C155 F59 -179(2) . .
F60 C156 C155 C154 177(2) . .
C143 C156 C155 C154 0.0 . .
F59 C155 C154 C141 179(2) . .
C156 C155 C154 C141 0.0 . .
F59 C155 C154 F61 1(2) . .
C156 C155 C154 F61 -177(2) . .
C142 C141 C154 C155 0.0 . .
C103 C141 C154 C155 -178.0(13) . .
C142 C141 C154 F61 177(2) . .
C103 C141 C154 F61 -0.6(17) . .
C9 C10 C147 C148 -74.2(18) . .
C11 C10 C147 C148 94.6(17) . .
C9 C10 C147 C144 99.1(16) . .
C11 C10 C147 C144 -92.1(15) . .
C144 C147 C148 F58 -122(2) . .
C10 C147 C148 F58 51(2) . .
C144 C147 C148 C149 0.0 . .
C10 C147 C148 C149 173(2) . .
F58 C148 C149 F57 -62(3) . .
C147 C148 C149 F57 -176(3) . .
F58 C148 C149 C146 114(2) . .
C147 C148 C149 C146 0.0 . .
F57 C149 C146 F54 0(2) . .
C148 C149 C146 F54 -177(2) . .
F57 C149 C146 C145 177(2) . .
C148 C149 C146 C145 0.0 . .
F54 C146 C145 F55 -2(2) . .
C149 C146 C145 F55 -179(2) . .
F54 C146 C145 C144 177(2) . .
C149 C146 C145 C144 0.0 . .
F55 C145 C144 F56 -6(3) . .
C146 C145 C144 F56 175(2) . .
F55 C145 C144 C147 179(3) . .
C146 C145 C144 C147 0.0 . .
C148 C147 C144 F56 -175(2) . .
C10 C147 C144 F56 11(2) . .
C148 C147 C144 C145 0.0 . .
C10 C147 C144 C145 -173.6(18) . .
C161 C162 C163 C164 166(2) . .
C162 C163 C164 C165 -64(3) . .
C163 C164 C165 C166 -81(3) . .
C164 C165 C166 C167 -171(3) . .
C168 C169 C170 C171 -118(8) . .
C169 C170 C171 C172 -152(6) . .
C170 C171 C172 C173 -171(7) . .
C174 C173 C172 C171 -37(10) . .
C176 C177 C178 C179 18(41) . .
C178 C177 C176 C175 160(21) . .
C177 C178 C179 C180 48(28) . .
C178 C179 C180 C181 73(21) . .
C182 O2 C185 C184 21(9) . .
C183 C184 C185 O2 10(8) . .
C185 O2 C182 C183 -40(8) . .
O2 C182 C183 C184 35(6) . .
C185 C184 C183 C182 -32(8) . .
C187 C188 C189 C190 -174(2) . .
C189 C188 C187 C186 176(3) . .
C188 C189 C190 C191 178(3) . .
C189 C190 C191 C192 -174(3) . .
C203 C202 C201 C200 124(14) . .
C199 C200 C201 C202 178(10) . .
C197 C198 C199 C200 -19(24) . .
C201 C200 C199 C198 140(12) . .
