#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:28:34 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179503 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/00/4340096.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_4340096
loop_
_publ_author_name
'Handke, Marcel'
'Weber, Hanna'
'Lange, Marcus'
'Möllmer, Jens'
'Lincke, Jörg'
'Gläser, Roger'
'Staudt, Reiner'
'Krautscheid, Harald'
_publ_section_title
;
 Network Flexibility: Control of Gate Opening in an Isostructural Series
 of Ag-MOFs by Linker Substitution.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7599
_journal_page_last               7607
_journal_paper_doi               10.1021/ic500908r
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C40 H38 Ag2 N8 O8'
_chemical_formula_sum            'C40 H38 Ag2 N8 O8'
_chemical_formula_weight         974.52
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           45
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      45
_symmetry_space_group_name_Hall  'I 2 -2c'
_symmetry_space_group_name_H-M   'I b a 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   22.9914(8)
_cell_length_b                   29.7580(13)
_cell_length_c                   28.7883(14)
_cell_measurement_reflns_used    48877
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      1.41
_cell_volume                     19696.3(15)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-AREA, STOE X-RED'
_computing_molecular_graphics    'DIAMOND 3.2e'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement
'SHELXL-97 Sheldrick, G. M. (2008) Acta Cryst.'
_computing_structure_solution
'SHELXS-97 Sheldrick, G. M. (2008) Acta Cryst.'
_diffrn_ambient_temperature      180(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'STOE IPDS-2T'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0483
_diffrn_reflns_av_sigmaI/netI    0.0546
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            51405
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.41
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.846
_exptl_absorpt_correction_T_max  0.7355
_exptl_absorpt_correction_T_min  0.6013
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'STOE X-RED'
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             7872
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.39
_refine_diff_density_max         1.759
_refine_diff_density_min         -1.370
_refine_diff_density_rms         0.126
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.29(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1027
_refine_ls_number_reflns         22448
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0646
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1287P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1837
_refine_ls_wR_factor_ref         0.1909
_reflns_number_gt                16597
_reflns_number_total             22448
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic500908r_si_002.cif
_cod_data_source_block           compound_13
_cod_depositor_comments
'Adding full bibliography for 4340086--4340098.cif.'
_cod_original_sg_symbol_H-M      Iba2
_cod_database_code               4340096
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, z+1/2'
'x, -y, z+1/2'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1'
'x+1/2, -y+1/2, z+1'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7150(3) 0.3683(3) 0.3777(3) 0.0526(19) Uani 1 1 d . . .
C2 C 0.7141(3) 0.3306(3) 0.3444(3) 0.0527(18) Uani 1 1 d . . .
C3 C 0.7637(3) 0.3182(2) 0.3187(3) 0.0534(18) Uani 1 1 d . . .
H3 H 0.7990 0.3344 0.3221 0.064 Uiso 1 1 calc R . .
C4 C 0.7605(3) 0.2836(2) 0.2897(3) 0.0492(16) Uani 1 1 d . . .
C5 C 0.7088(3) 0.2601(2) 0.2784(3) 0.0474(17) Uani 1 1 d . . .
H5 H 0.7085 0.2368 0.2559 0.057 Uiso 1 1 calc R . .
C6 C 0.6573(3) 0.2732(2) 0.3024(3) 0.0517(18) Uani 1 1 d . . .
C7 C 0.6616(3) 0.3081(2) 0.3343(3) 0.0500(18) Uani 1 1 d . . .
H7 H 0.6274 0.3172 0.3503 0.060 Uiso 1 1 calc R . .
C8A C 0.8487(11) 0.2063(8) 0.3577(9) 0.085(4) Uiso 0.50 1 d P A 1
H8A1 H 0.8899 0.2148 0.3565 0.128 Uiso 0.50 1 calc PR A 1
H8A2 H 0.8441 0.1800 0.3780 0.128 Uiso 0.50 1 calc PR A 1
H8A3 H 0.8259 0.2314 0.3700 0.128 Uiso 0.50 1 calc PR A 1
C9A C 0.8266(4) 0.1942(3) 0.3068(3) 0.062(2) Uiso 0.50 1 d P A 1
H9A1 H 0.8437 0.1652 0.2969 0.074 Uiso 0.50 1 calc PR A 1
H9A2 H 0.7838 0.1910 0.3070 0.074 Uiso 0.50 1 calc PR A 1
C8B C 0.8604(11) 0.3603(8) 0.1875(9) 0.085(4) Uiso 0.50 1 d P A 2
H8B1 H 0.8607 0.3921 0.1966 0.128 Uiso 0.50 1 calc PR A 2
H8B2 H 0.8450 0.3575 0.1559 0.128 Uiso 0.50 1 calc PR A 2
H8B3 H 0.9002 0.3485 0.1885 0.128 Uiso 0.50 1 calc PR A 2
C9B C 0.8278(4) 0.3378(3) 0.2160(3) 0.0519(17) Uiso 0.50 1 d P A 2
H9B1 H 0.7898 0.3334 0.2003 0.062 Uiso 0.50 1 calc PR A 2
H9B2 H 0.8204 0.3575 0.2431 0.062 Uiso 0.50 1 calc PR A 2
C10 C 0.8436(3) 0.2300(2) 0.2735(3) 0.0449(15) Uani 1 1 d . . .
C11 C 0.8455(3) 0.2930(2) 0.2349(2) 0.0423(15) Uani 1 1 d . . .
C12A C 0.8278(4) 0.3378(3) 0.2160(3) 0.0519(17) Uiso 0.50 1 d P A 1
H12A H 0.7910 0.3471 0.2303 0.078 Uiso 0.50 1 calc PR A 1
H12B H 0.8227 0.3356 0.1823 0.078 Uiso 0.50 1 calc PR A 1
H12C H 0.8579 0.3600 0.2231 0.078 Uiso 0.50 1 calc PR A 1
C12B C 0.8266(4) 0.1942(3) 0.3068(3) 0.062(2) Uiso 0.50 1 d P A 2
H12D H 0.7893 0.2020 0.3211 0.093 Uiso 0.50 1 calc PR A 2
H12E H 0.8564 0.1916 0.3310 0.093 Uiso 0.50 1 calc PR A 2
H12F H 0.8230 0.1656 0.2903 0.093 Uiso 0.50 1 calc PR A 2
C13 C 0.5920(3) 0.2149(2) 0.2739(3) 0.0471(16) Uani 1 1 d . . .
C14 C 0.5322(4) 0.1938(2) 0.2803(3) 0.0502(17) Uani 1 1 d . . .
C15 C 0.4937(3) 0.2107(2) 0.3116(3) 0.0411(14) Uani 1 1 d . . .
H15 H 0.5003 0.2394 0.3252 0.049 Uiso 1 1 calc R . .
C16 C 0.4436(3) 0.1855(2) 0.3240(3) 0.0453(15) Uani 1 1 d . . .
H16 H 0.4159 0.1973 0.3452 0.054 Uiso 1 1 calc R . .
C17 C 0.4359(3) 0.1437(3) 0.3049(3) 0.0488(16) Uani 1 1 d . . .
C18 C 0.4751(3) 0.1264(3) 0.2726(3) 0.0554(19) Uani 1 1 d . . .
H18 H 0.4699 0.0977 0.2587 0.066 Uiso 1 1 calc R . .
C19 C 0.5221(4) 0.1536(3) 0.2617(3) 0.059(2) Uani 1 1 d . . .
H19 H 0.5491 0.1427 0.2395 0.070 Uiso 1 1 calc R . .
C20 C 0.3797(5) 0.0758(3) 0.3050(5) 0.079(3) Uani 1 1 d . . .
H20A H 0.3429 0.0643 0.3174 0.119 Uiso 1 1 calc R . .
H20B H 0.4120 0.0578 0.3172 0.119 Uiso 1 1 calc R . .
H20C H 0.3792 0.0738 0.2710 0.119 Uiso 1 1 calc R . .
C21 C 0.7530(3) 0.6006(4) 0.5779(3) 0.065(3) Uani 1 1 d . . .
C22 C 0.7449(3) 0.6475(3) 0.5982(3) 0.056(2) Uani 1 1 d . . .
C23 C 0.6920(3) 0.6557(3) 0.6222(3) 0.0485(17) Uani 1 1 d . . .
H23 H 0.6627 0.6333 0.6240 0.058 Uiso 1 1 calc R . .
C24 C 0.6843(3) 0.6962(3) 0.6423(3) 0.0466(16) Uani 1 1 d . . .
C25 C 0.7256(3) 0.7295(3) 0.6447(3) 0.0495(16) Uani 1 1 d . . .
H25 H 0.7189 0.7563 0.6617 0.059 Uiso 1 1 calc R . .
C26 C 0.7793(3) 0.7219(3) 0.6204(3) 0.0543(19) Uani 1 1 d . . .
C27 C 0.7856(3) 0.6811(3) 0.5975(3) 0.0553(19) Uani 1 1 d . . .
H27 H 0.8203 0.6762 0.5803 0.066 Uiso 1 1 calc R . .
C28 C 0.5893(8) 0.7620(5) 0.5682(5) 0.110(4) Uani 1 1 d . . .
H28A H 0.5735 0.7314 0.5689 0.165 Uiso 1 1 calc R . .
H28B H 0.6247 0.7625 0.5492 0.165 Uiso 1 1 calc R . .
H28C H 0.5604 0.7824 0.5547 0.165 Uiso 1 1 calc R . .
C29 C 0.6036(4) 0.7769(3) 0.6170(3) 0.063(2) Uani 1 1 d . . .
H29A H 0.6451 0.7857 0.6183 0.076 Uiso 1 1 calc R . .
H29B H 0.5800 0.8037 0.6246 0.076 Uiso 1 1 calc R . .
C30 C 0.5927(3) 0.7422(3) 0.6516(3) 0.0504(17) Uani 1 1 d . . .
C31 C 0.5990(3) 0.6816(2) 0.6960(3) 0.0491(17) Uani 1 1 d . . .
C32 C 0.6210(4) 0.6408(3) 0.7186(3) 0.065(2) Uani 1 1 d . . .
H32A H 0.5934 0.6310 0.7425 0.097 Uiso 1 1 calc R . .
H32B H 0.6587 0.6471 0.7331 0.097 Uiso 1 1 calc R . .
H32C H 0.6256 0.6170 0.6954 0.097 Uiso 1 1 calc R . .
C33 C 0.8302(4) 0.7921(3) 0.6439(3) 0.0540(18) Uani 1 1 d . . .
C34 C 0.8843(4) 0.8184(3) 0.6366(3) 0.0559(19) Uani 1 1 d . . .
C35 C 0.9243(5) 0.8090(3) 0.6016(4) 0.073(3) Uani 1 1 d . . .
H35 H 0.9151 0.7865 0.5794 0.087 Uiso 1 1 calc R . .
C36 C 0.9789(4) 0.8321(6) 0.5980(4) 0.098(5) Uani 1 1 d . . .
H36 H 1.0102 0.8211 0.5797 0.117 Uiso 1 1 calc R . .
C37 C 0.9826(5) 0.8737(4) 0.6246(4) 0.078(3) Uani 1 1 d . . .
C38 C 0.9414(5) 0.8833(4) 0.6601(4) 0.075(3) Uani 1 1 d . . .
H38 H 0.9470 0.9083 0.6801 0.090 Uiso 1 1 calc R . .
C39 C 0.8928(4) 0.8558(3) 0.6651(4) 0.067(2) Uani 1 1 d . . .
H39 H 0.8649 0.8626 0.6884 0.081 Uiso 1 1 calc R . .
C40 C 1.0279(6) 0.9420(5) 0.6359(6) 0.105(4) Uani 1 1 d . . .
H40A H 1.0648 0.9573 0.6294 0.157 Uiso 1 1 calc R . .
H40B H 1.0209 0.9418 0.6694 0.157 Uiso 1 1 calc R . .
H40C H 0.9961 0.9580 0.6202 0.157 Uiso 1 1 calc R . .
C41A C 1.0289(7) 0.3532(6) 0.6147(6) 0.045(5) Uiso 0.47(3) 1 d PD B 1
C41B C 1.0357(7) 0.3404(6) 0.6006(7) 0.054(4) Uiso 0.53(3) 1 d PD B 2
C42 C 1.0233(4) 0.3785(4) 0.5677(4) 0.080(3) Uani 1 1 d D . .
C43 C 0.9662(4) 0.3960(3) 0.5587(4) 0.070(3) Uani 1 1 d . B .
H43 H 0.9336 0.3885 0.5774 0.084 Uiso 1 1 calc R . .
C44 C 0.9619(3) 0.4242(3) 0.5213(3) 0.0544(19) Uani 1 1 d . . .
C45 C 1.0091(3) 0.4383(3) 0.4953(3) 0.0552(18) Uani 1 1 d . B .
H45 H 1.0040 0.4588 0.4703 0.066 Uiso 1 1 calc R . .
C46 C 1.0647(3) 0.4219(3) 0.5065(4) 0.060(2) Uani 1 1 d . . .
C47 C 1.0701(3) 0.3906(3) 0.5424(4) 0.074(3) Uani 1 1 d . B .
H47 H 1.1071 0.3778 0.5490 0.089 Uiso 1 1 calc R . .
C48A C 0.9129(19) 0.3566(10) 0.4480(14) 0.140(13) Uiso 0.50 1 d PD B 1
H48A H 0.9229 0.3388 0.4204 0.210 Uiso 0.50 1 calc PR B 1
H48B H 0.8843 0.3402 0.4667 0.210 Uiso 0.50 1 calc PR B 1
H48C H 0.9480 0.3619 0.4664 0.210 Uiso 0.50 1 calc PR B 1
C49A C 0.8884(4) 0.3994(3) 0.4335(4) 0.065(2) Uiso 0.50 1 d P B 1
H49A H 0.8537 0.3935 0.4140 0.078 Uiso 0.50 1 calc PR B 1
H49B H 0.9173 0.4152 0.4140 0.078 Uiso 0.50 1 calc PR B 1
C48B C 0.8662(13) 0.3505(8) 0.4442(10) 0.098(7) Uiso 0.50 1 d PD B 2
H48D H 0.8774 0.3304 0.4188 0.147 Uiso 0.50 1 calc PR B 2
H48E H 0.8238 0.3507 0.4473 0.147 Uiso 0.50 1 calc PR B 2
H48F H 0.8837 0.3399 0.4733 0.147 Uiso 0.50 1 calc PR B 2
C49B C 0.8884(4) 0.3994(3) 0.4335(4) 0.065(2) Uiso 0.50 1 d P B 2
H49C H 0.9312 0.3994 0.4301 0.078 Uiso 0.50 1 calc PR B 2
H49D H 0.8711 0.4103 0.4041 0.078 Uiso 0.50 1 calc PR B 2
C50 C 0.8711(3) 0.4295(3) 0.4723(3) 0.0508(17) Uani 1 1 d DU . .
C51 C 0.8729(4) 0.4678(3) 0.5382(3) 0.063(2) Uani 1 1 d . . .
C52 C 0.8918(5) 0.4884(4) 0.5811(4) 0.076(3) Uani 1 1 d . B .
H52A H 0.8608 0.5076 0.5933 0.114 Uiso 1 1 calc R . .
H52B H 0.9266 0.5066 0.5753 0.114 Uiso 1 1 calc R . .
H52C H 0.9010 0.4649 0.6038 0.114 Uiso 1 1 calc R . .
C53 C 1.1239(4) 0.4553(3) 0.4434(3) 0.0568(19) Uani 1 1 d . . .
C54 C 1.1778(3) 0.4500(3) 0.4189(3) 0.058(2) Uani 1 1 d . B .
C55 C 1.2236(3) 0.4189(3) 0.4296(3) 0.0535(18) Uani 1 1 d . . .
H55 H 1.2205 0.4027 0.4580 0.064 Uiso 1 1 calc R B .
C56 C 1.2709(5) 0.4105(3) 0.4028(4) 0.071(2) Uani 1 1 d . B .
H56 H 1.3002 0.3902 0.4129 0.085 Uiso 1 1 calc R . .
C57 C 1.2757(3) 0.4325(3) 0.3594(3) 0.0555(19) Uani 1 1 d . . .
C58 C 1.2348(3) 0.4654(3) 0.3447(4) 0.059(2) Uani 1 1 d . B .
H58 H 1.2384 0.4809 0.3160 0.071 Uiso 1 1 calc R . .
C59 C 1.1875(4) 0.4736(3) 0.3763(4) 0.064(2) Uani 1 1 d . . .
H59 H 1.1606 0.4965 0.3682 0.077 Uiso 1 1 calc R B .
C60 C 1.3222(5) 0.4341(5) 0.2842(5) 0.092(4) Uani 1 1 d . . .
H60A H 1.3581 0.4240 0.2692 0.137 Uiso 1 1 calc R B .
H60B H 1.3193 0.4669 0.2820 0.137 Uiso 1 1 calc R . .
H60C H 1.2887 0.4203 0.2688 0.137 Uiso 1 1 calc R . .
C61 C 0.5036(3) 0.6486(2) 0.3396(3) 0.0457(16) Uani 1 1 d . . .
C62 C 0.5006(3) 0.6187(2) 0.3817(3) 0.0491(17) Uani 1 1 d . . .
C63 C 0.5465(3) 0.5905(2) 0.3933(3) 0.0427(14) Uani 1 1 d . . .
H63 H 0.5798 0.5888 0.3738 0.051 Uiso 1 1 calc R . .
C64 C 0.5439(3) 0.5649(2) 0.4334(3) 0.0484(16) Uani 1 1 d . . .
C65 C 0.4946(3) 0.5651(2) 0.4626(3) 0.0460(15) Uani 1 1 d . . .
H65 H 0.4919 0.5457 0.4887 0.055 Uiso 1 1 calc R . .
C66 C 0.4503(3) 0.5947(3) 0.4519(3) 0.0489(17) Uani 1 1 d . . .
C67 C 0.4523(3) 0.6217(2) 0.4126(3) 0.0532(18) Uani 1 1 d . . .
H67 H 0.4215 0.6421 0.4062 0.064 Uiso 1 1 calc R . .
C68 C 0.6246(8) 0.6287(5) 0.5094(5) 0.110(4) Uani 1 1 d . . .
H68A H 0.6618 0.6290 0.4929 0.165 Uiso 1 1 calc R . .
H68B H 0.6275 0.6476 0.5372 0.165 Uiso 1 1 calc R . .
H68C H 0.5940 0.6405 0.4890 0.165 Uiso 1 1 calc R . .
C69 C 0.6088(4) 0.5779(3) 0.5243(3) 0.059(2) Uani 1 1 d . . .
H69A H 0.6298 0.5703 0.5533 0.071 Uiso 1 1 calc R . .
H69B H 0.5666 0.5758 0.5308 0.071 Uiso 1 1 calc R . .
C70 C 0.6242(4) 0.5448(2) 0.4878(3) 0.0497(17) Uani 1 1 d . . .
C71 C 0.6216(3) 0.5058(2) 0.4224(2) 0.0430(15) Uani 1 1 d . . .
C72 C 0.6034(4) 0.4888(3) 0.3766(3) 0.0532(18) Uani 1 1 d . . .
H72A H 0.6319 0.4669 0.3654 0.080 Uiso 1 1 calc R . .
H72B H 0.6010 0.5139 0.3546 0.080 Uiso 1 1 calc R . .
H72C H 0.5652 0.4744 0.3793 0.080 Uiso 1 1 calc R . .
C73 C 0.3898(4) 0.5791(3) 0.5210(3) 0.0564(19) Uani 1 1 d . . .
C74 C 0.3336(3) 0.5913(3) 0.5442(3) 0.0501(16) Uani 1 1 d . . .
C75 C 0.2917(4) 0.6229(3) 0.5280(4) 0.067(2) Uani 1 1 d . . .
H75 H 0.2980 0.6376 0.4991 0.081 Uiso 1 1 calc R . .
C76 C 0.2440(4) 0.6324(3) 0.5523(4) 0.069(2) Uani 1 1 d . . .
H76 H 0.2178 0.6544 0.5408 0.083 Uiso 1 1 calc R . .
C77 C 0.2319(5) 0.6116(4) 0.5929(4) 0.077(3) Uani 1 1 d . . .
C78 C 0.2660(5) 0.5789(4) 0.6085(4) 0.076(3) Uani 1 1 d . . .
H78 H 0.2554 0.5623 0.6353 0.092 Uiso 1 1 calc R . .
C79 C 0.3184(4) 0.5692(3) 0.5845(3) 0.059(2) Uani 1 1 d . . .
H79 H 0.3437 0.5468 0.5965 0.070 Uiso 1 1 calc R . .
C80 C 0.1733(6) 0.6110(8) 0.6592(7) 0.139(7) Uani 1 1 d . . .
H80A H 0.1346 0.6197 0.6703 0.208 Uiso 1 1 calc R . .
H80B H 0.2031 0.6258 0.6781 0.208 Uiso 1 1 calc R . .
H80C H 0.1777 0.5783 0.6616 0.208 Uiso 1 1 calc R . .
Ag1 Ag 0.74184(2) 0.448238(19) 0.43141(2) 0.05132(14) Uani 1 1 d . . .
Ag2 Ag 0.74343(3) 0.51213(2) 0.53770(3) 0.06335(19) Uani 1 1 d . . .
Ag3 Ag 0.96983(3) 0.185729(19) 0.24722(2) 0.05568(16) Uani 1 1 d . . .
Ag4 Ag 0.96877(2) 0.28511(2) 0.18238(2) 0.05581(16) Uani 1 1 d . . .
N1 N 0.8919(2) 0.23024(19) 0.2487(3) 0.0470(13) Uani 1 1 d . A .
N2 N 0.8915(2) 0.27069(19) 0.2237(2) 0.0435(13) Uani 1 1 d . A .
N3 N 0.8135(3) 0.26862(18) 0.2663(2) 0.0476(14) Uani 1 1 d . A .
N4 N 0.6044(3) 0.2524(2) 0.2962(2) 0.0486(15) Uani 1 1 d . . .
H4 H 0.5745 0.2661 0.3090 0.058 Uiso 1 1 calc R . .
N5 N 0.5447(2) 0.73873(19) 0.6762(3) 0.0500(15) Uani 1 1 d . . .
N6 N 0.5475(3) 0.7011(2) 0.7042(2) 0.0462(13) Uani 1 1 d . . .
N7 N 0.6279(3) 0.7064(2) 0.6632(2) 0.0438(13) Uani 1 1 d . . .
N8 N 0.8251(3) 0.7531(3) 0.6196(3) 0.0628(18) Uani 1 1 d . . .
H8 H 0.8543 0.7466 0.6009 0.075 Uiso 1 1 calc R . .
N9 N 0.8206(3) 0.4734(2) 0.5174(2) 0.0546(16) Uani 1 1 d . B .
N10 N 0.8217(3) 0.4487(2) 0.4774(2) 0.0469(14) Uani 1 1 d U B .
N11 N 0.9044(3) 0.4404(2) 0.5095(2) 0.0539(16) Uani 1 1 d . B .
N12 N 1.1171(3) 0.4312(3) 0.4824(3) 0.071(2) Uani 1 1 d . B .
H12 H 1.1491 0.4198 0.4945 0.085 Uiso 1 1 calc R . .
N13 N 0.6677(2) 0.5176(2) 0.4873(2) 0.0466(13) Uani 1 1 d . B .
N14 N 0.6668(3) 0.49299(19) 0.4474(2) 0.0460(13) Uani 1 1 d . B .
N15 N 0.5928(2) 0.5384(2) 0.4468(2) 0.0457(13) Uani 1 1 d . . .
N16 N 0.3989(3) 0.5979(2) 0.4791(2) 0.0489(14) Uani 1 1 d . . .
H16A H 0.3701 0.6137 0.4673 0.059 Uiso 1 1 calc R . .
O1 O 0.7482(3) 0.4019(2) 0.3676(2) 0.0646(16) Uani 1 1 d . B .
O2 O 0.6864(3) 0.3651(2) 0.4147(2) 0.0624(14) Uani 1 1 d . . .
O3 O 0.6269(2) 0.19777(19) 0.2465(2) 0.0575(13) Uani 1 1 d . . .
O4 O 0.3869(2) 0.12143(19) 0.3186(2) 0.0595(14) Uani 1 1 d . . .
O5 O 0.7259(4) 0.5682(2) 0.5897(2) 0.0685(17) Uani 1 1 d . B .
O6 O 0.7911(3) 0.6024(3) 0.5430(3) 0.094(3) Uani 1 1 d . . .
O7 O 0.7923(2) 0.8050(2) 0.6717(3) 0.0679(17) Uani 1 1 d . . .
O8 O 1.0305(3) 0.8973(3) 0.6193(3) 0.085(2) Uani 1 1 d . . .
O9A O 0.9915(8) 0.3590(6) 0.6508(7) 0.067(5) Uiso 0.47(3) 1 d PD . 1
O10A O 1.0661(6) 0.3258(6) 0.6151(7) 0.061(5) Uiso 0.47(3) 1 d PD . 1
O9B O 1.0035(7) 0.3487(5) 0.6396(6) 0.061(4) Uiso 0.53(3) 1 d PD . 2
O10B O 1.0661(5) 0.3097(5) 0.5993(6) 0.062(4) Uiso 0.53(3) 1 d PD B 2
O11 O 1.0842(2) 0.4777(2) 0.4263(3) 0.0700(17) Uani 1 1 d . B .
O12 O 1.3230(3) 0.4210(3) 0.3328(3) 0.083(2) Uani 1 1 d . B .
O13 O 0.5343(3) 0.6342(2) 0.3057(2) 0.0619(15) Uani 1 1 d . . .
O14 O 0.4777(2) 0.6848(2) 0.3399(3) 0.0623(16) Uani 1 1 d . . .
O15 O 0.4238(3) 0.5543(2) 0.5405(2) 0.0689(16) Uani 1 1 d . . .
O16 O 0.1794(3) 0.6235(3) 0.6149(3) 0.091(2) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O2 C1 O1 124.0(7) . .
O2 C1 C2 119.1(7) . .
O1 C1 C2 116.8(7) . .
C3 C2 C7 117.5(7) . .
C3 C2 C1 121.9(7) . .
C7 C2 C1 120.5(6) . .
C4 C3 C2 119.2(7) . .
C4 C3 H3 120.4 . .
C2 C3 H3 120.4 . .
C3 C4 C5 125.0(7) . .
C3 C4 N3 118.7(7) . .
C5 C4 N3 116.3(6) . .
C4 C5 C6 116.8(7) . .
C4 C5 H5 121.6 . .
C6 C5 H5 121.6 . .
N4 C6 C7 119.0(6) . .
N4 C6 C5 123.3(7) . .
C7 C6 C5 117.7(7) . .
C6 C7 C2 123.5(6) . .
C6 C7 H7 118.3 . .
C2 C7 H7 118.3 . .
C10 C9A C8A 110.5(11) . .
C10 C9A H9A1 109.6 . .
C8A C9A H9A1 109.6 . .
C10 C9A H9A2 109.6 . .
C8A C9A H9A2 109.6 . .
H9A1 C9A H9A2 108.1 . .
C9B C8B H8B1 109.5 . .
C9B C8B H8B2 109.4 . .
H8B1 C8B H8B2 109.5 . .
C9B C8B H8B3 109.5 . .
H8B1 C8B H8B3 109.5 . .
H8B2 C8B H8B3 109.5 . .
C8B C9B C11 122.2(13) . .
C8B C9B H9B1 106.8 . .
C11 C9B H9B1 106.8 . .
C8B C9B H9B2 106.8 . .
C11 C9B H9B2 106.8 . .
H9B1 C9B H9B2 106.6 . .
N1 C10 N3 110.1(6) . .
N1 C10 C9A 125.0(7) . .
N3 C10 C9A 124.8(6) . .
N2 C11 N3 109.5(6) . .
N2 C11 C9B 126.2(6) . .
N3 C11 C9B 124.3(6) . .
O3 C13 N4 121.3(6) . .
O3 C13 C14 119.7(7) . .
N4 C13 C14 119.0(6) . .
C19 C14 C15 119.0(8) . .
C19 C14 C13 118.6(7) . .
C15 C14 C13 121.1(7) . .
C14 C15 C16 119.9(7) . .
C14 C15 H15 120.1 . .
C16 C15 H15 120.1 . .
C17 C16 C15 118.9(6) . .
C17 C16 H16 120.6 . .
C15 C16 H16 120.6 . .
O4 C17 C16 115.5(6) . .
O4 C17 C18 123.2(7) . .
C16 C17 C18 121.3(7) . .
C19 C18 C17 116.1(7) . .
C19 C18 H18 122.0 . .
C17 C18 H18 122.0 . .
C14 C19 C18 124.8(8) . .
C14 C19 H19 117.6 . .
C18 C19 H19 117.6 . .
O4 C20 H20A 109.5 . .
O4 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
O4 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O5 C21 O6 125.9(9) . .
O5 C21 C22 124.5(8) . .
O6 C21 C22 109.4(10) . .
C27 C22 C23 117.8(7) . .
C27 C22 C21 125.4(7) . .
C23 C22 C21 116.7(8) . .
C24 C23 C22 118.3(8) . .
C24 C23 H23 120.8 . .
C22 C23 H23 120.8 . .
C23 C24 C25 125.2(7) . .
C23 C24 N7 118.6(7) . .
C25 C24 N7 116.3(6) . .
C24 C25 C26 117.1(7) . .
C24 C25 H25 121.4 . .
C26 C25 H25 121.4 . .
C27 C26 N8 119.4(7) . .
C27 C26 C25 117.3(7) . .
N8 C26 C25 123.3(7) . .
C22 C27 C26 124.0(7) . .
C22 C27 H27 118.0 . .
C26 C27 H27 118.0 . .
C29 C28 H28A 109.5 . .
C29 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C29 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C30 C29 C28 113.1(9) . .
C30 C29 H29A 109.0 . .
C28 C29 H29A 109.0 . .
C30 C29 H29B 109.0 . .
C28 C29 H29B 109.0 . .
H29A C29 H29B 107.8 . .
N5 C30 N7 107.5(6) . .
N5 C30 C29 124.7(7) . .
N7 C30 C29 127.7(7) . .
N6 C31 N7 108.4(6) . .
N6 C31 C32 125.9(7) . .
N7 C31 C32 125.8(7) . .
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 . .
O7 C33 N8 122.3(8) . .
O7 C33 C34 121.0(8) . .
N8 C33 C34 116.7(8) . .
C35 C34 C39 119.4(9) . .
C35 C34 C33 123.4(8) . .
C39 C34 C33 117.1(8) . .
C34 C35 C36 122.4(10) . .
C34 C35 H35 118.8 . .
C36 C35 H35 118.8 . .
C35 C36 C37 114.9(10) . .
C35 C36 H36 122.6 . .
C37 C36 H36 122.6 . .
O8 C37 C38 122.3(11) . .
O8 C37 C36 116.2(11) . .
C38 C37 C36 120.5(9) . .
C39 C38 C37 119.4(10) . .
C39 C38 H38 120.3 . .
C37 C38 H38 120.3 . .
C38 C39 C34 121.3(10) . .
C38 C39 H39 119.3 . .
C34 C39 H39 119.3 . .
O8 C40 H40A 109.5 . .
O8 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
O8 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
O10A C41A O9A 122.5(15) . .
O10A C41A C42 113.8(15) . .
O9A C41A C42 123.4(14) . .
O10B C41B O9B 119.9(14) . .
O10B C41B C42 133.9(17) . .
O9B C41B C42 106.1(13) . .
C47 C42 C43 122.4(8) . .
C47 C42 C41B 112.9(10) . .
C43 C42 C41B 124.1(10) . .
C47 C42 C41A 122.2(9) . .
C43 C42 C41A 114.1(10) . .
C41B C42 C41A 21.7(6) . .
C44 C43 C42 115.5(9) . .
C44 C43 H43 122.3 . .
C42 C43 H43 122.3 . .
C43 C44 C45 123.8(7) . .
C43 C44 N11 117.0(8) . .
C45 C44 N11 119.2(7) . .
C44 C45 C46 118.8(7) . .
C44 C45 H45 120.6 . .
C46 C45 H45 120.6 . .
C47 C46 C45 118.9(8) . .
C47 C46 N12 114.6(7) . .
C45 C46 N12 126.3(7) . .
C42 C47 C46 120.4(8) . .
C42 C47 H47 119.8 . .
C46 C47 H47 119.8 . .
C49A C48A H48A 109.5 . .
C49A C48A H48B 109.5 . .
H48A C48A H48B 109.5 . .
C49A C48A H48C 109.5 . .
H48A C48A H48C 109.5 . .
H48B C48A H48C 109.5 . .
C48A C49A C50 114.7(17) . .
C48A C49A H49A 108.6 . .
C50 C49A H49A 108.6 . .
C48A C49A H49B 108.6 . .
C50 C49A H49B 108.6 . .
H49A C49A H49B 107.6 . .
H48D C48B H48E 109.5 . .
H48D C48B H48F 109.5 . .
H48E C48B H48F 109.5 . .
N10 C50 N11 107.8(7) . .
N10 C50 C49A 126.2(7) . .
N11 C50 C49A 125.9(7) . .
N9 C51 N11 106.0(7) . .
N9 C51 C52 126.4(9) . .
N11 C51 C52 127.5(9) . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
O11 C53 N12 122.6(9) . .
O11 C53 C54 120.2(8) . .
N12 C53 C54 116.9(8) . .
C59 C54 C55 112.7(8) . .
C59 C54 C53 120.1(7) . .
C55 C54 C53 126.8(8) . .
C56 C55 C54 125.8(9) . .
C56 C55 H55 117.1 . .
C54 C55 H55 117.1 . .
C55 C56 C57 118.6(9) . .
C55 C56 H56 120.7 . .
C57 C56 H56 120.7 . .
O12 C57 C56 116.0(8) . .
O12 C57 C58 121.9(9) . .
C56 C57 C58 122.1(8) . .
C57 C58 C59 115.3(8) . .
C57 C58 H58 122.3 . .
C59 C58 H58 122.3 . .
C54 C59 C58 125.2(8) . .
C54 C59 H59 117.4 . .
C58 C59 H59 117.4 . .
O12 C60 H60A 109.5 . .
O12 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
O12 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
O14 C61 O13 124.3(7) . .
O14 C61 C62 119.3(8) . .
O13 C61 C62 116.3(6) . .
C63 C62 C67 118.7(7) . .
C63 C62 C61 121.0(7) . .
C67 C62 C61 120.1(6) . .
C64 C63 C62 120.0(7) . .
C64 C63 H63 120.0 . .
C62 C63 H63 120.0 . .
C63 C64 C65 121.9(6) . .
C63 C64 N15 119.7(7) . .
C65 C64 N15 118.4(7) . .
C66 C65 C64 117.5(7) . .
C66 C65 H65 121.2 . .
C64 C65 H65 121.2 . .
C65 C66 C67 121.7(7) . .
C65 C66 N16 122.2(7) . .
C67 C66 N16 116.0(6) . .
C66 C67 C62 119.9(6) . .
C66 C67 H67 120.0 . .
C62 C67 H67 120.0 . .
C69 C68 H68A 109.5 . .
C69 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
C69 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C70 C69 C68 112.3(9) . .
C70 C69 H69A 109.1 . .
C68 C69 H69A 109.1 . .
C70 C69 H69B 109.1 . .
C68 C69 H69B 109.1 . .
H69A C69 H69B 107.9 . .
N13 C70 N15 107.8(7) . .
N13 C70 C69 127.7(7) . .
N15 C70 C69 124.5(6) . .
N14 C71 N15 107.8(6) . .
N14 C71 C72 127.7(7) . .
N15 C71 C72 124.5(6) . .
C71 C72 H72A 109.5 . .
C71 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
C71 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
O15 C73 N16 124.6(8) . .
O15 C73 C74 119.8(8) . .
N16 C73 C74 115.6(7) . .
C79 C74 C75 114.8(8) . .
C79 C74 C73 118.5(7) . .
C75 C74 C73 126.6(8) . .
C76 C75 C74 121.7(9) . .
C76 C75 H75 119.1 . .
C74 C75 H75 119.1 . .
C75 C76 C77 121.8(9) . .
C75 C76 H76 119.1 . .
C77 C76 H76 119.1 . .
C78 C77 C76 120.4(10) . .
C78 C77 O16 122.6(11) . .
C76 C77 O16 116.7(10) . .
C77 C78 C79 119.1(10) . .
C77 C78 H78 120.4 . .
C79 C78 H78 120.4 . .
C74 C79 C78 121.9(8) . .
C74 C79 H79 119.1 . .
C78 C79 H79 119.1 . .
O16 C80 H80A 109.5 . .
O16 C80 H80B 109.5 . .
H80A C80 H80B 109.5 . .
O16 C80 H80C 109.5 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
N14 Ag1 N10 120.3(2) . .
N14 Ag1 O1 124.9(2) . .
N10 Ag1 O1 114.7(2) . .
N9 Ag2 N13 119.1(2) . .
N9 Ag2 O5 134.6(3) . .
N13 Ag2 O5 103.4(2) . .
N6 Ag3 N1 122.3(2) 5_544 .
N6 Ag3 O13 125.8(2) 5_544 7_644
N1 Ag3 O13 110.6(2) . 7_644
N2 Ag4 N5 124.0(2) . 5_544
N2 Ag4 O9B 131.8(4) . 3_754
N5 Ag4 O9B 104.1(4) 5_544 3_754
N2 Ag4 O10A 105.4(4) . 3_754
N5 Ag4 O10A 120.3(5) 5_544 3_754
O9B Ag4 O10A 42.9(5) 3_754 3_754
N2 Ag4 O9A 131.0(4) . 3_754
N5 Ag4 O9A 103.0(4) 5_544 3_754
O9B Ag4 O9A 11.3(4) 3_754 3_754
O10A Ag4 O9A 53.3(5) 3_754 3_754
C10 N1 N2 106.1(5) . .
C10 N1 Ag3 133.1(5) . .
N2 N1 Ag3 120.3(4) . .
C11 N2 N1 108.5(5) . .
C11 N2 Ag4 134.7(5) . .
N1 N2 Ag4 116.4(4) . .
C10 N3 C11 105.9(6) . .
C10 N3 C4 127.8(6) . .
C11 N3 C4 126.1(6) . .
C13 N4 C6 129.4(6) . .
C13 N4 H4 115.3 . .
C6 N4 H4 115.3 . .
C30 N5 N6 109.8(6) . .
C30 N5 Ag4 130.5(5) . 5_455
N6 N5 Ag4 119.4(4) . 5_455
C31 N6 N5 106.9(6) . .
C31 N6 Ag3 135.9(5) . 5_455
N5 N6 Ag3 117.1(4) . 5_455
C31 N7 C30 107.3(6) . .
C31 N7 C24 127.0(6) . .
C30 N7 C24 125.6(6) . .
C33 N8 C26 128.3(7) . .
C33 N8 H8 115.9 . .
C26 N8 H8 115.9 . .
C51 N9 N10 106.9(6) . .
C51 N9 Ag2 131.7(6) . .
N10 N9 Ag2 121.4(5) . .
C50 N10 N9 110.6(6) . .
C50 N10 Ag1 130.6(5) . .
N9 N10 Ag1 118.8(4) . .
C50 N11 C51 108.7(6) . .
C50 N11 C44 128.5(7) . .
C51 N11 C44 122.7(7) . .
C53 N12 C46 127.7(7) . .
C53 N12 H12 116.1 . .
C46 N12 H12 116.1 . .
C70 N13 N14 109.6(6) . .
C70 N13 Ag2 129.2(6) . .
N14 N13 Ag2 120.8(4) . .
C71 N14 N13 108.4(5) . .
C71 N14 Ag1 132.1(5) . .
N13 N14 Ag1 118.9(4) . .
C71 N15 C70 106.4(5) . .
C71 N15 C64 129.4(7) . .
C70 N15 C64 124.0(6) . .
C73 N16 C66 126.5(7) . .
C73 N16 H16A 116.8 . .
C66 N16 H16A 116.8 . .
C1 O1 Ag1 104.3(5) . .
C17 O4 C20 118.6(7) . .
C21 O5 Ag2 108.2(6) . .
C37 O8 C40 115.2(10) . .
C41A O9A Ag4 86.3(11) . 3_755
C41A O10A Ag4 96.5(11) . 3_755
C41B O9B Ag4 97.9(10) . 3_755
C57 O12 C60 117.5(8) . .
C61 O13 Ag3 108.4(5) . 7_654
C80 O16 C77 116.7(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.257(10) .
C1 O1 1.292(10) .
C1 C2 1.476(11) .
C2 C3 1.407(10) .
C2 C7 1.410(11) .
C3 C4 1.329(12) .
C3 H3 0.9500 .
C4 C5 1.415(11) .
C4 N3 1.462(9) .
C5 C6 1.425(9) .
C5 H5 0.9500 .
C6 N4 1.376(10) .
C6 C7 1.391(11) .
C7 H7 0.9500 .
C8A C9A 1.59(3) .
C8A H8A1 0.9800 .
C8A H8A2 0.9800 .
C8A H8A3 0.9800 .
C9A C10 1.485(12) .
C9A H9A1 0.9900 .
C9A H9A2 0.9900 .
C8B C9B 1.30(3) .
C8B H8B1 0.9800 .
C8B H8B2 0.9800 .
C8B H8B3 0.9800 .
C9B C11 1.496(11) .
C9B H9B1 0.9900 .
C9B H9B2 0.9900 .
C10 N1 1.320(9) .
C10 N3 1.357(9) .
C11 N2 1.291(9) .
C11 N3 1.373(9) .
C13 O3 1.234(9) .
C13 N4 1.319(10) .
C13 C14 1.522(11) .
C14 C19 1.331(11) .
C14 C15 1.360(11) .
C15 C16 1.423(9) .
C15 H15 0.9500 .
C16 C17 1.371(11) .
C16 H16 0.9500 .
C17 O4 1.365(9) .
C17 C18 1.393(10) .
C18 C19 1.385(11) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 O4 1.424(11) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 O5 1.197(13) .
C21 O6 1.334(12) .
C21 C22 1.524(13) .
C22 C27 1.370(13) .
C22 C23 1.421(9) .
C23 C24 1.348(11) .
C23 H23 0.9500 .
C24 C25 1.373(12) .
C24 N7 1.461(9) .
C25 C26 1.437(10) .
C25 H25 0.9500 .
C26 C27 1.389(12) .
C26 N8 1.405(11) .
C27 H27 0.9500 .
C28 C29 1.508(16) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C30 1.456(11) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 N5 1.315(9) .
C30 N7 1.380(10) .
C31 N6 1.340(10) .
C31 N7 1.372(9) .
C31 C32 1.467(11) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 O7 1.244(10) .
C33 N8 1.360(11) .
C33 C34 1.484(13) .
C34 C35 1.392(13) .
C34 C39 1.397(13) .
C35 C36 1.434(13) .
C35 H35 0.9500 .
C36 C37 1.457(19) .
C36 H36 0.9500 .
C37 O8 1.314(13) .
C37 C38 1.422(16) .
C38 C39 1.393(14) .
C38 H38 0.9500 .
C39 H39 0.9500 .
C40 O8 1.417(17) .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41A O10A 1.183(18) .
C41A O9A 1.36(2) .
C41A C42 1.554(16) .
C41B O10B 1.151(18) .
C41B O9B 1.37(2) .
C41B C42 1.505(15) .
C42 C47 1.349(14) .
C42 C43 1.436(13) .
C43 C44 1.368(12) .
C43 H43 0.9500 .
C44 C45 1.384(12) .
C44 N11 1.447(9) .
C45 C46 1.407(10) .
C45 H45 0.9500 .
C46 C47 1.395(12) .
C46 N12 1.418(12) .
C47 H47 0.9500 .
C48A C49A 1.45(3) .
C48A H48A 0.9800 .
C48A H48B 0.9800 .
C48A H48C 0.9800 .
C49A C50 1.486(12) .
C49A H49A 0.9900 .
C49A H49B 0.9900 .
C48B H48D 0.9800 .
C48B H48E 0.9800 .
C48B H48F 0.9800 .
C50 N10 1.280(9) .
C50 N11 1.355(10) .
C51 N9 1.354(11) .
C51 N11 1.369(12) .
C51 C52 1.445(14) .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 O11 1.232(10) .
C53 N12 1.341(11) .
C53 C54 1.436(13) .
C54 C59 1.431(13) .
C54 C55 1.435(10) .
C55 C56 1.357(13) .
C55 H55 0.9500 .
C56 C57 1.414(15) .
C56 H56 0.9500 .
C57 O12 1.374(11) .
C57 C58 1.422(11) .
C58 C59 1.438(13) .
C58 H58 0.9500 .
C59 H59 0.9500 .
C60 O12 1.451(16) .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 O14 1.231(9) .
C61 O13 1.278(10) .
C61 C62 1.504(11) .
C62 C63 1.390(9) .
C62 C67 1.424(12) .
C63 C64 1.384(11) .
C63 H63 0.9500 .
C64 C65 1.412(11) .
C64 N15 1.427(8) .
C65 C66 1.381(10) .
C65 H65 0.9500 .
C66 C67 1.389(12) .
C66 N16 1.420(10) .
C67 H67 0.9500 .
C68 C69 1.615(18) .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C69 C70 1.483(11) .
C69 H69A 0.9900 .
C69 H69B 0.9900 .
C70 N13 1.286(9) .
C70 N15 1.397(10) .
C71 N14 1.320(9) .
C71 N15 1.366(9) .
C71 C72 1.472(10) .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
C73 O15 1.213(10) .
C73 N16 1.346(11) .
C73 C74 1.500(11) .
C74 C79 1.378(12) .
C74 C75 1.423(11) .
C75 C76 1.331(13) .
C75 H75 0.9500 .
C76 C77 1.352(16) .
C76 H76 0.9500 .
C77 C78 1.327(16) .
C77 O16 1.408(12) .
C78 C79 1.418(15) .
C78 H78 0.9500 .
C79 H79 0.9500 .
C80 O16 1.336(18) .
C80 H80A 0.9800 .
C80 H80B 0.9800 .
C80 H80C 0.9800 .
Ag1 N14 2.228(5) .
Ag1 N10 2.263(6) .
Ag1 O1 2.301(6) .
Ag2 N9 2.195(6) .
Ag2 N13 2.273(6) .
Ag2 O5 2.277(6) .
Ag3 N6 2.222(6) 5_544
Ag3 N1 2.229(6) .
Ag3 O13 2.279(5) 7_644
Ag4 N2 2.179(5) .
Ag4 N5 2.232(5) 5_544
Ag4 O9B 2.348(14) 3_754
Ag4 O10A 2.421(15) 3_754
Ag4 O9A 2.550(19) 3_754
N1 N2 1.403(9) .
N4 H4 0.8800 .
N5 N6 1.380(9) .
N5 Ag4 2.232(5) 5_455
N6 Ag3 2.222(6) 5_455
N8 H8 0.8800 .
N9 N10 1.368(9) .
N12 H12 0.8800 .
N13 N14 1.362(9) .
N16 H16A 0.8800 .
O9A Ag4 2.550(18) 3_755
O10A Ag4 2.421(15) 3_755
O9B Ag4 2.348(14) 3_755
O13 Ag3 2.279(5) 7_654
