#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:28:34 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179503 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/00/4340097.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_4340097
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         'C42 H42 Ag2 N8 O10'
_chemical_formula_sum            'C42 H42 Ag2 N8 O10'
_chemical_formula_weight         1034.58
_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                   23.335(8)
_cell_length_b                   30.373(13)
_cell_length_c                   27.34(3)
_cell_measurement_reflns_used    2937
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      29.47
_cell_measurement_theta_min      1.28
_cell_volume                     19377(2)
_computing_cell_refinement       'XDS, Kabsch, W. (2010) Acta Cryst.'
_computing_data_collection       'marCCD 1994-2002'
_computing_data_reduction        'XDS, Kabsch, W. (2010) Acta Cryst.'
_computing_molecular_graphics    'DIAMOND 3.2'
_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_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'MX-225 CCD'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  'Si 111'
_diffrn_radiation_source         'BESSY BL MX-14.2'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.82657
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_sigmaI/netI    0.0346
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            65875
_diffrn_reflns_theta_full        29.47
_diffrn_reflns_theta_max         29.47
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    1.282
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             8384
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.120
_refine_diff_density_min         -1.011
_refine_diff_density_rms         0.079
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.104(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1062
_refine_ls_number_reflns         16500
_refine_ls_number_restraints     107
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0660P)²+40.7163P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1205
_refine_ls_wR_factor_ref         0.1235
_reflns_number_gt                14456
_reflns_number_total             16500
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic500908r_si_002.cif
_cod_data_source_block           compound_14
_cod_depositor_comments
'Adding full bibliography for 4340086--4340098.cif.'
_cod_original_cell_volume        19375(21)
_cod_original_sg_symbol_H-M      Iba2
_cod_database_code               4340097
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 0.7156(3) 0.3587(2) 0.3900(3) 0.0638(19) Uani 1 1 d . . .
C2 C 0.7130(3) 0.3226(2) 0.3533(3) 0.0567(17) Uani 1 1 d . . .
C3 C 0.7631(3) 0.3090(2) 0.3270(3) 0.0533(16) Uani 1 1 d . . .
H3 H 0.7993 0.3223 0.3333 0.064 Uiso 1 1 calc R . .
C4 C 0.7579(2) 0.27748(19) 0.2935(2) 0.0465(14) Uani 1 1 d . . .
C5 C 0.7057(3) 0.2567(2) 0.2812(2) 0.0487(14) Uani 1 1 d . . .
H5 H 0.7037 0.2350 0.2563 0.058 Uiso 1 1 calc R . .
C6 C 0.6575(3) 0.2697(2) 0.3073(3) 0.0522(15) Uani 1 1 d . . .
C7 C 0.6617(3) 0.3022(2) 0.3420(3) 0.0569(17) Uani 1 1 d . . .
H7 H 0.6281 0.3110 0.3589 0.068 Uiso 1 1 calc R . .
C8A C 0.7807(7) 0.1570(5) 0.2907(6) 0.085(4) Uiso 0.60 1 d PD A 1
H8A1 H 0.7438 0.1716 0.2849 0.127 Uiso 0.60 1 calc PR A 1
H8A2 H 0.7755 0.1328 0.3139 0.127 Uiso 0.60 1 calc PR A 1
H8A3 H 0.7955 0.1454 0.2597 0.127 Uiso 0.60 1 calc PR A 1
C9A C 0.8226(4) 0.1897(2) 0.3113(3) 0.072(2) Uiso 0.60 1 d PD A 1
H9A1 H 0.8572 0.1735 0.3221 0.087 Uiso 0.60 1 calc PR A 1
H9A2 H 0.8052 0.2033 0.3407 0.087 Uiso 0.60 1 calc PR A 1
C8B C 0.8542(7) 0.3558(5) 0.1796(6) 0.060(4) Uiso 0.40 1 d PD A 2
H8B1 H 0.8898 0.3657 0.1951 0.090 Uiso 0.40 1 calc PR A 2
H8B2 H 0.8318 0.3814 0.1690 0.090 Uiso 0.40 1 calc PR A 2
H8B3 H 0.8633 0.3374 0.1512 0.090 Uiso 0.40 1 calc PR A 2
C9B C 0.8207(3) 0.3301(2) 0.2148(3) 0.0596(16) Uiso 0.40 1 d PD A 2
H9B1 H 0.7826 0.3254 0.1998 0.071 Uiso 0.40 1 calc PR A 2
H9B2 H 0.8146 0.3493 0.2436 0.071 Uiso 0.40 1 calc PR A 2
C10 C 0.8415(3) 0.2265(2) 0.2769(2) 0.0500(15) Uani 1 1 d . . .
C11 C 0.8398(2) 0.2863(2) 0.2341(2) 0.0454(13) Uani 1 1 d . . .
C12A C 0.8207(3) 0.3301(2) 0.2148(3) 0.0596(16) Uiso 0.60 1 d P A 1
H12A H 0.7844 0.3384 0.2303 0.089 Uiso 0.60 1 calc PR A 1
H12B H 0.8154 0.3281 0.1793 0.089 Uiso 0.60 1 calc PR A 1
H12C H 0.8499 0.3523 0.2221 0.089 Uiso 0.60 1 calc PR A 1
C12B C 0.8226(4) 0.1897(2) 0.3113(3) 0.072(2) Uiso 0.40 1 d P A 2
H12D H 0.7864 0.1979 0.3271 0.108 Uiso 0.40 1 calc PR A 2
H12E H 0.8521 0.1851 0.3364 0.108 Uiso 0.40 1 calc PR A 2
H12F H 0.8172 0.1625 0.2926 0.108 Uiso 0.40 1 calc PR A 2
C13 C 0.5879(3) 0.2168(2) 0.2736(2) 0.0509(15) Uani 1 1 d . . .
C14 C 0.5277(3) 0.1978(2) 0.2850(3) 0.0593(17) Uani 1 1 d . . .
C15 C 0.4925(3) 0.2167(3) 0.3182(4) 0.081(2) Uani 1 1 d . . .
H15 H 0.5023 0.2442 0.3324 0.097 Uiso 1 1 calc R . .
C16 C 0.4412(4) 0.1952(3) 0.3314(3) 0.083(2) Uani 1 1 d U . .
C17 C 0.4278(4) 0.1555(3) 0.3071(4) 0.087(2) Uani 1 1 d U . .
H17 H 0.3921 0.1415 0.3137 0.104 Uiso 1 1 calc R . .
C18 C 0.4626(4) 0.1374(3) 0.2760(4) 0.087(3) Uani 1 1 d . . .
C19 C 0.5143(3) 0.1595(2) 0.2603(3) 0.0663(19) Uani 1 1 d . . .
H19 H 0.5375 0.1484 0.2346 0.080 Uiso 1 1 calc R . .
C20 C 0.4174(6) 0.2471(5) 0.3912(6) 0.158(6) Uani 1 1 d . . .
H20A H 0.3861 0.2550 0.4133 0.237 Uiso 1 1 calc R . .
H20B H 0.4251 0.2716 0.3688 0.237 Uiso 1 1 calc R . .
H20C H 0.4520 0.2406 0.4102 0.237 Uiso 1 1 calc R . .
C21 C 0.4776(6) 0.0783(4) 0.2184(6) 0.143(5) Uani 1 1 d . . .
H21A H 0.4580 0.0513 0.2082 0.215 Uiso 1 1 calc R . .
H21B H 0.5152 0.0709 0.2320 0.215 Uiso 1 1 calc R . .
H21C H 0.4825 0.0977 0.1901 0.215 Uiso 1 1 calc R . .
C22A C 0.7638(6) 0.6172(6) 0.5608(5) 0.044(4) Uiso 0.52(3) 1 d P B 1
C22B C 0.7537(8) 0.6009(9) 0.5689(6) 0.046(5) Uiso 0.48(3) 1 d P B 2
C23 C 0.7446(3) 0.6525(4) 0.5895(3) 0.083(3) Uani 1 1 d . . .
C24 C 0.6911(3) 0.6583(3) 0.6131(3) 0.072(2) Uani 1 1 d . B .
H24 H 0.6640 0.6349 0.6140 0.086 Uiso 1 1 calc R . .
C25 C 0.6788(3) 0.6975(3) 0.6343(3) 0.067(2) Uani 1 1 d . . .
C26 C 0.7164(4) 0.7322(3) 0.6361(3) 0.076(2) Uani 1 1 d . B .
H26 H 0.7069 0.7590 0.6521 0.091 Uiso 1 1 calc R . .
C27 C 0.7702(4) 0.7260(3) 0.6129(3) 0.084(3) Uani 1 1 d . . .
C28 C 0.7828(3) 0.6882(3) 0.5884(3) 0.085(3) Uani 1 1 d . B .
H28 H 0.8175 0.6859 0.5705 0.102 Uiso 1 1 calc R . .
C29A C 0.6037(12) 0.6005(7) 0.7072(10) 0.162(9) Uiso 0.60 1 d PD B 1
H29A H 0.6232 0.5777 0.7264 0.243 Uiso 0.60 1 calc PR B 1
H29B H 0.6123 0.5963 0.6724 0.243 Uiso 0.60 1 calc PR B 1
H29C H 0.5623 0.5984 0.7124 0.243 Uiso 0.60 1 calc PR B 1
C30A C 0.6247(5) 0.6457(3) 0.7233(4) 0.097(3) Uiso 0.60 1 d PD B 1
H30A H 0.6668 0.6474 0.7194 0.116 Uiso 0.60 1 calc PR B 1
H30B H 0.6156 0.6501 0.7583 0.116 Uiso 0.60 1 calc PR B 1
C29B C 0.5869(18) 0.6252(13) 0.7625(14) 0.177(16) Uiso 0.40 1 d PD B 2
H29D H 0.5904 0.6421 0.7929 0.266 Uiso 0.40 1 calc PR B 2
H29E H 0.5990 0.5947 0.7683 0.266 Uiso 0.40 1 calc PR B 2
H29F H 0.5469 0.6255 0.7515 0.266 Uiso 0.40 1 calc PR B 2
C30B C 0.6247(5) 0.6457(3) 0.7233(4) 0.097(3) Uiso 0.40 1 d PD B 2
H30C H 0.6375 0.6222 0.7008 0.116 Uiso 0.40 1 calc PR B 2
H30D H 0.6592 0.6580 0.7392 0.116 Uiso 0.40 1 calc PR B 2
C31 C 0.5962(3) 0.6822(2) 0.6929(3) 0.0564(17) Uani 1 1 d . . .
C32 C 0.5838(4) 0.7349(3) 0.6394(3) 0.068(2) Uani 1 1 d . . .
C33 C 0.5942(4) 0.7667(3) 0.5993(4) 0.096(3) Uani 1 1 d . B .
H33A H 0.5576 0.7795 0.5888 0.145 Uiso 1 1 calc R . .
H33B H 0.6120 0.7514 0.5716 0.145 Uiso 1 1 calc R . .
H33C H 0.6196 0.7901 0.6108 0.145 Uiso 1 1 calc R . .
C34 C 0.8168(4) 0.7945(4) 0.6420(4) 0.091(3) Uani 1 1 d . . .
C35A C 0.8684(6) 0.8286(5) 0.6413(6) 0.079(4) Uiso 0.60 1 d PD B 1
C36A C 0.9119(6) 0.8200(5) 0.6094(6) 0.081(4) Uiso 0.60 1 d PD B 1
H36A H 0.9113 0.7943 0.5896 0.097 Uiso 0.60 1 calc PR B 1
C37A C 0.9580(6) 0.8498(5) 0.6065(6) 0.086(4) Uiso 0.60 1 d PD B 1
C38A C 0.9605(6) 0.8825(5) 0.6405(5) 0.083(4) Uiso 0.60 1 d PD B 1
H38A H 0.9928 0.9016 0.6408 0.099 Uiso 0.60 1 calc PR B 1
C39A C 0.9180(6) 0.8887(5) 0.6741(6) 0.089(4) Uiso 0.60 1 d PD B 1
C40A C 0.8716(7) 0.8607(5) 0.6763(6) 0.085(4) Uiso 0.60 1 d PD B 1
H40A H 0.8431 0.8636 0.7010 0.102 Uiso 0.60 1 calc PR B 1
C41A C 0.9972(7) 0.8143(6) 0.5356(6) 0.079(4) Uiso 0.60 1 d PD B 1
H41A H 1.0325 0.8131 0.5162 0.119 Uiso 0.60 1 calc PR B 1
H41B H 0.9657 0.8249 0.5150 0.119 Uiso 0.60 1 calc PR B 1
H41C H 0.9881 0.7849 0.5480 0.119 Uiso 0.60 1 calc PR B 1
C42A C 0.8880(8) 0.9296(5) 0.7441(6) 0.087(4) Uiso 0.60 1 d PD B 1
H42A H 0.8983 0.9563 0.7622 0.131 Uiso 0.60 1 calc PR B 1
H42B H 0.8910 0.9040 0.7658 0.131 Uiso 0.60 1 calc PR B 1
H42C H 0.8486 0.9322 0.7321 0.131 Uiso 0.60 1 calc PR B 1
C35B C 0.8725(8) 0.8168(6) 0.6283(7) 0.064(5) Uiso 0.40 1 d PD B 2
C36B C 0.9113(8) 0.8075(7) 0.5911(7) 0.073(6) Uiso 0.40 1 d PD B 2
H36B H 0.9055 0.7835 0.5693 0.088 Uiso 0.40 1 calc PR B 2
C37B C 0.9597(10) 0.8349(8) 0.5869(9) 0.103(8) Uiso 0.40 1 d PD B 2
C38B C 0.9700(9) 0.8688(7) 0.6200(8) 0.085(6) Uiso 0.40 1 d PD B 2
H38B H 1.0042 0.8857 0.6176 0.102 Uiso 0.40 1 calc PR B 2
C39B C 0.9301(9) 0.8781(7) 0.6565(8) 0.083(6) Uiso 0.40 1 d PD B 2
C40B C 0.8805(9) 0.8521(6) 0.6597(8) 0.073(6) Uiso 0.40 1 d PD B 2
H40B H 0.8521 0.8588 0.6835 0.088 Uiso 0.40 1 calc PR B 2
C41B C 0.987(2) 0.7983(15) 0.5133(15) 0.177(19) Uiso 0.40 1 d PD B 2
H41D H 1.0205 0.7966 0.4913 0.265 Uiso 0.40 1 calc PR B 2
H41E H 0.9536 0.8078 0.4949 0.265 Uiso 0.40 1 calc PR B 2
H41F H 0.9804 0.7693 0.5278 0.265 Uiso 0.40 1 calc PR B 2
C42B C 0.9008(16) 0.9241(10) 0.7228(13) 0.102(9) Uiso 0.40 1 d PD B 2
H42D H 0.9162 0.9507 0.7382 0.153 Uiso 0.40 1 calc PR B 2
H42E H 0.8981 0.9006 0.7473 0.153 Uiso 0.40 1 calc PR B 2
H42F H 0.8627 0.9303 0.7096 0.153 Uiso 0.40 1 calc PR B 2
C43 C 1.0364(4) 0.3358(4) 0.5961(4) 0.0948(13) Uani 1 1 d . . .
C44 C 1.0264(3) 0.3725(3) 0.5602(3) 0.0674(19) Uani 1 1 d . . .
C45 C 0.9725(3) 0.3909(2) 0.5540(3) 0.0613(18) Uani 1 1 d . . .
H45 H 0.9414 0.3820 0.5741 0.074 Uiso 1 1 calc R . .
C46 C 0.9648(2) 0.4226(2) 0.5179(2) 0.0450(13) Uani 1 1 d . . .
C47 C 1.0092(3) 0.4389(2) 0.4899(2) 0.0466(14) Uani 1 1 d . . .
H47 H 1.0029 0.4616 0.4666 0.056 Uiso 1 1 calc R . .
C48 C 1.0644(3) 0.4206(2) 0.4970(2) 0.0489(14) Uani 1 1 d . . .
C49 C 1.0719(3) 0.3872(2) 0.5311(3) 0.0564(16) Uani 1 1 d . . .
H49 H 1.1086 0.3740 0.5347 0.068 Uiso 1 1 calc R . .
C50A C 0.8677(6) 0.5216(4) 0.6094(5) 0.069(3) Uiso 0.60 1 d P C 1
H50A H 0.8551 0.5446 0.5867 0.104 Uiso 0.60 1 calc PR C 1
H50B H 0.8902 0.5349 0.6359 0.104 Uiso 0.60 1 calc PR C 1
H50C H 0.8341 0.5067 0.6232 0.104 Uiso 0.60 1 calc PR C 1
C51A C 0.9025(4) 0.4901(3) 0.5836(3) 0.074(2) Uiso 0.60 1 d P C 1
H51A H 0.9134 0.4667 0.6070 0.089 Uiso 0.60 1 calc PR C 1
H51B H 0.9383 0.5051 0.5736 0.089 Uiso 0.60 1 calc PR C 1
C50B C 0.8993(18) 0.3539(13) 0.4571(15) 0.167(15) Uiso 0.40 1 d P C 2
H50D H 0.9091 0.3323 0.4318 0.250 Uiso 0.40 1 calc PR C 2
H50E H 0.8658 0.3436 0.4754 0.250 Uiso 0.40 1 calc PR C 2
H50F H 0.9318 0.3575 0.4794 0.250 Uiso 0.40 1 calc PR C 2
C51B C 0.8861(3) 0.3962(2) 0.4339(3) 0.0643(17) Uiso 0.40 1 d P C 2
H51C H 0.8534 0.3931 0.4112 0.077 Uiso 0.40 1 calc PR C 2
H51D H 0.9197 0.4070 0.4152 0.077 Uiso 0.40 1 calc PR C 2
C52 C 0.8781(3) 0.4684(2) 0.5396(2) 0.0533(15) Uani 1 1 d . . .
C53 C 0.8718(2) 0.4271(2) 0.4735(2) 0.0463(14) Uani 1 1 d . . .
C54A C 0.8861(3) 0.3962(2) 0.4339(3) 0.0643(17) Uiso 0.60 1 d P C 1
H54A H 0.9258 0.3862 0.4378 0.096 Uiso 0.60 1 calc PR C 1
H54B H 0.8818 0.4110 0.4023 0.096 Uiso 0.60 1 calc PR C 1
H54C H 0.8603 0.3708 0.4354 0.096 Uiso 0.60 1 calc PR C 1
C54B C 0.9025(4) 0.4901(3) 0.5836(3) 0.074(2) Uiso 0.40 1 d P C 2
H54D H 0.9420 0.4800 0.5885 0.111 Uiso 0.40 1 calc PR C 2
H54E H 0.8795 0.4824 0.6123 0.111 Uiso 0.40 1 calc PR C 2
H54F H 0.9022 0.5221 0.5791 0.111 Uiso 0.40 1 calc PR C 2
C55 C 1.1173(2) 0.46347(19) 0.4350(3) 0.0461(13) Uani 1 1 d . . .
C56 C 1.1725(2) 0.46447(19) 0.4053(2) 0.0446(13) Uani 1 1 d . . .
C57 C 1.2158(2) 0.4344(2) 0.4137(2) 0.0480(14) Uani 1 1 d . . .
H57 H 1.2137 0.4140 0.4399 0.058 Uiso 1 1 calc R . .
C58 C 1.2637(3) 0.4354(2) 0.3816(2) 0.0506(16) Uani 1 1 d . . .
C59 C 1.2664(3) 0.4640(2) 0.3435(3) 0.0555(17) Uani 1 1 d . . .
H59 H 1.2980 0.4632 0.3217 0.067 Uiso 1 1 calc R . .
C60 C 1.2217(3) 0.4954(2) 0.3362(2) 0.0519(15) Uani 1 1 d . D .
C61 C 1.1754(3) 0.4943(2) 0.3679(2) 0.0531(15) Uani 1 1 d . . .
H61 H 1.1450 0.5148 0.3636 0.064 Uiso 1 1 calc R . .
C62 C 1.3063(3) 0.3753(3) 0.4232(3) 0.079(2) Uani 1 1 d D . .
H62A H 1.3423 0.3586 0.4237 0.118 Uiso 1 1 calc R . .
H62B H 1.2745 0.3554 0.4152 0.118 Uiso 1 1 calc R . .
H62C H 1.2997 0.3885 0.4554 0.118 Uiso 1 1 calc R . .
C63A C 1.1874(6) 0.5560(5) 0.2905(6) 0.064(4) Uiso 0.60 1 d PD D 1
H63A H 1.1488 0.5434 0.2896 0.096 Uiso 0.60 1 calc PR D 1
H63B H 1.1951 0.5714 0.2597 0.096 Uiso 0.60 1 calc PR D 1
H63C H 1.1902 0.5769 0.3178 0.096 Uiso 0.60 1 calc PR D 1
C63B C 1.1814(13) 0.5465(12) 0.2779(14) 0.131(15) Uiso 0.40 1 d PD D 2
H63D H 1.1548 0.5267 0.2611 0.196 Uiso 0.40 1 calc PR D 2
H63E H 1.1958 0.5686 0.2548 0.196 Uiso 0.40 1 calc PR D 2
H63F H 1.1614 0.5614 0.3048 0.196 Uiso 0.40 1 calc PR D 2
C64 C 0.5040(3) 0.6497(3) 0.3468(3) 0.071(2) Uani 1 1 d U . .
C65 C 0.5013(3) 0.6184(2) 0.3904(3) 0.0549(16) Uani 1 1 d . . .
C66 C 0.5476(3) 0.5892(2) 0.3982(3) 0.0528(15) Uani 1 1 d . . .
H66 H 0.5795 0.5882 0.3766 0.063 Uiso 1 1 calc R . .
C67 C 0.5443(2) 0.56236(19) 0.4384(3) 0.0504(14) Uani 1 1 d . . .
C68 C 0.4976(3) 0.56128(19) 0.4700(3) 0.0526(15) Uani 1 1 d . . .
H68 H 0.4966 0.5413 0.4967 0.063 Uiso 1 1 calc R . .
C69 C 0.4520(3) 0.5905(2) 0.4613(3) 0.0562(16) Uani 1 1 d . . .
C70 C 0.4552(3) 0.6193(2) 0.4214(3) 0.0573(18) Uani 1 1 d . . .
H70 H 0.4252 0.6398 0.4159 0.069 Uiso 1 1 calc R . .
C71 C 0.6312(5) 0.4498(4) 0.3544(5) 0.118(4) Uani 1 1 d . . .
H71A H 0.6725 0.4557 0.3562 0.178 Uiso 1 1 calc R . .
H71B H 0.6200 0.4462 0.3201 0.178 Uiso 1 1 calc R . .
H71C H 0.6224 0.4228 0.3725 0.178 Uiso 1 1 calc R . .
C72 C 0.5984(3) 0.4884(2) 0.3768(3) 0.0609(17) Uani 1 1 d . . .
H72A H 0.5987 0.5132 0.3532 0.073 Uiso 1 1 calc R . .
H72B H 0.5579 0.4794 0.3814 0.073 Uiso 1 1 calc R . .
C73 C 0.6208(3) 0.5043(2) 0.4240(2) 0.0495(14) Uani 1 1 d . . .
C74 C 0.6263(3) 0.5427(2) 0.4925(3) 0.0587(17) Uani 1 1 d . . .
C75 C 0.6128(3) 0.5734(3) 0.5327(3) 0.089(3) Uani 1 1 d . . .
H75A H 0.5885 0.5585 0.5568 0.133 Uiso 1 1 calc R . .
H75B H 0.5924 0.5990 0.5195 0.133 Uiso 1 1 calc R . .
H75C H 0.6484 0.5831 0.5484 0.133 Uiso 1 1 calc R . .
C76 C 0.3907(3) 0.5697(2) 0.5321(3) 0.0586(17) Uani 1 1 d . . .
C77 C 0.3332(3) 0.5790(2) 0.5559(3) 0.0602(17) Uani 1 1 d U . .
C78 C 0.2965(3) 0.6126(3) 0.5401(3) 0.0673(19) Uani 1 1 d . . .
H78 H 0.3051 0.6305 0.5126 0.081 Uiso 1 1 calc R . .
C79 C 0.2464(4) 0.6179(4) 0.5675(4) 0.0926(17) Uani 1 1 d . E .
C80 C 0.2341(4) 0.5927(4) 0.6073(3) 0.0926(17) Uani 1 1 d . . .
H80 H 0.1997 0.5980 0.6249 0.111 Uiso 1 1 calc R . .
C81 C 0.2706(4) 0.5597(4) 0.6226(4) 0.0926(17) Uani 1 1 d . . .
C82 C 0.3209(3) 0.5535(3) 0.5965(3) 0.070(2) Uani 1 1 d U . .
H82 H 0.3473 0.5315 0.6066 0.085 Uiso 1 1 calc R . .
C83A C 0.2124(9) 0.6732(6) 0.5134(6) 0.086(5) Uiso 0.60 1 d PD E 1
H83A H 0.1782 0.6911 0.5073 0.129 Uiso 0.60 1 calc PR E 1
H83B H 0.2190 0.6536 0.4855 0.129 Uiso 0.60 1 calc PR E 1
H83C H 0.2457 0.6925 0.5178 0.129 Uiso 0.60 1 calc PR E 1
C83B C 0.227(2) 0.6810(15) 0.5250(17) 0.17(2) Uiso 0.40 1 d PD E 2
H83D H 0.1976 0.7024 0.5163 0.261 Uiso 0.40 1 calc PR E 2
H83E H 0.2429 0.6676 0.4952 0.261 Uiso 0.40 1 calc PR E 2
H83F H 0.2583 0.6961 0.5427 0.261 Uiso 0.40 1 calc PR E 2
C84 C 0.2872(7) 0.4945(6) 0.6738(5) 0.153(5) Uani 1 1 d U . .
H84A H 0.2745 0.4824 0.7052 0.229 Uiso 1 1 calc R . .
H84B H 0.3286 0.4996 0.6748 0.229 Uiso 1 1 calc R . .
H84C H 0.2783 0.4735 0.6476 0.229 Uiso 1 1 calc R . .
Ag1 Ag 0.738845(19) 0.444890(15) 0.43641(2) 0.05121(12) Uani 1 1 d . . .
Ag2 Ag 0.75271(2) 0.51572(2) 0.53586(2) 0.06960(18) Uani 1 1 d . . .
Ag3 Ag 0.97082(2) 0.187010(17) 0.24956(2) 0.06035(14) Uani 1 1 d . . .
Ag4 Ag 0.95907(2) 0.274728(18) 0.17401(2) 0.06049(15) Uani 1 1 d . . .
N1 N 0.8873(2) 0.22674(16) 0.2503(2) 0.0499(12) Uani 1 1 d . A .
N2 N 0.8856(2) 0.26431(16) 0.22246(19) 0.0465(12) Uani 1 1 d . A .
N3 N 0.8098(2) 0.26298(15) 0.2680(2) 0.0467(12) Uani 1 1 d . A .
N4 N 0.6029(2) 0.25137(19) 0.3006(2) 0.0595(14) Uani 1 1 d . . .
H4 H 0.5748 0.2644 0.3165 0.071 Uiso 1 1 calc R . .
N5 N 0.5375(2) 0.73232(19) 0.6671(3) 0.0633(16) Uani 1 1 d . . .
N6 N 0.5453(2) 0.69893(18) 0.7005(2) 0.0600(15) Uani 1 1 d . . .
N7 N 0.6224(2) 0.70431(19) 0.6560(2) 0.0577(14) Uani 1 1 d . B .
N8 N 0.8125(3) 0.7595(3) 0.6131(3) 0.096(2) Uani 1 1 d . B .
H8 H 0.8397 0.7566 0.5910 0.115 Uiso 1 1 calc R . .
N9 N 0.8270(2) 0.47311(18) 0.52055(18) 0.0502(13) Uani 1 1 d . B .
N10 N 0.8219(2) 0.44657(17) 0.47936(19) 0.0473(12) Uani 1 1 d . B .
N11 N 0.9082(2) 0.43897(17) 0.51112(19) 0.0461(12) Uani 1 1 d . C .
N12 N 1.1131(2) 0.43370(18) 0.4708(2) 0.0544(13) Uani 1 1 d . . .
H12 H 1.1453 0.4206 0.4791 0.065 Uiso 1 1 calc R . .
N13 N 0.6713(2) 0.51731(17) 0.4896(2) 0.0502(12) Uani 1 1 d U B .
N14 N 0.6680(2) 0.49274(17) 0.4474(2) 0.0499(13) Uani 1 1 d U B .
N15 N 0.5931(2) 0.53601(17) 0.45120(19) 0.0484(12) Uani 1 1 d . . .
N16 N 0.4020(2) 0.59260(19) 0.4900(2) 0.0579(14) Uani 1 1 d . . .
H16 H 0.3750 0.6106 0.4798 0.070 Uiso 1 1 calc R . .
O1 O 0.7556(2) 0.38596(17) 0.3860(2) 0.0710(14) Uani 1 1 d . C .
O2 O 0.6782(2) 0.35909(19) 0.4234(2) 0.0814(17) Uani 1 1 d . . .
O3 O 0.6192(2) 0.19884(16) 0.2442(2) 0.0742(15) Uani 1 1 d . . .
O4 O 0.4022(3) 0.2105(3) 0.3646(3) 0.117(2) Uani 1 1 d . . .
O5 O 0.4443(3) 0.1001(2) 0.2546(3) 0.104(2) Uani 1 1 d . . .
O6A O 0.7407(6) 0.5830(6) 0.5782(5) 0.059(4) Uiso 0.52(3) 1 d P B 1
O7A O 0.7927(4) 0.6211(5) 0.5223(4) 0.062(4) Uiso 0.52(3) 1 d P B 1
O6B O 0.7337(5) 0.5684(5) 0.5894(5) 0.059(4) Uiso 0.48(3) 1 d P B 2
O7B O 0.7890(5) 0.6026(6) 0.5328(5) 0.060(4) Uiso 0.48(3) 1 d P B 2
O8 O 0.7799(3) 0.80312(19) 0.6732(3) 0.0921(18) Uani 1 1 d . B .
O9A O 1.0054(6) 0.8450(5) 0.5777(6) 0.108(5) Uiso 0.60 1 d PD B 1
O10A O 0.9260(7) 0.9242(4) 0.7038(5) 0.094(3) Uiso 0.60 1 d PD B 1
O9B O 1.0010(8) 0.8345(7) 0.5575(8) 0.090(5) Uiso 0.40 1 d PD B 2
O10B O 0.9379(11) 0.9106(8) 0.6843(9) 0.129(8) Uiso 0.40 1 d PD B 2
O11 O 1.0058(3) 0.3378(2) 0.6346(3) 0.0948(13) Uani 1 1 d . . .
O12 O 1.0734(3) 0.3083(2) 0.5882(2) 0.0948(13) Uani 1 1 d . . .
O13 O 1.07840(18) 0.48958(14) 0.42528(17) 0.0577(12) Uani 1 1 d . . .
O14 O 1.3098(2) 0.40886(17) 0.3875(2) 0.0721(14) Uani 1 1 d D . .
O15 O 1.2286(2) 0.52151(18) 0.2972(2) 0.0743(14) Uani 1 1 d D . .
O16 O 0.5403(2) 0.6410(2) 0.3136(2) 0.0886(19) Uani 1 1 d U . .
O17 O 0.4705(2) 0.6825(2) 0.3474(3) 0.093(2) Uani 1 1 d . . .
O18 O 0.4245(2) 0.54328(18) 0.54920(18) 0.0685(13) Uani 1 1 d . . .
O19 O 0.2044(3) 0.6490(3) 0.5542(3) 0.137(3) Uani 1 1 d D . .
O20 O 0.2568(3) 0.5371(4) 0.6642(3) 0.127(3) Uani 1 1 d U . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C -0.0020 0.0023 '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 -0.8864 1.4495 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N -0.0031 0.0047 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O -0.0042 0.0085 '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
O1 C1 O2 124.9(7) . .
O1 C1 C2 117.3(7) . .
O2 C1 C2 117.7(7) . .
C7 C2 C3 117.6(6) . .
C7 C2 C1 121.2(5) . .
C3 C2 C1 121.2(6) . .
C4 C3 C2 118.5(6) . .
C4 C3 H3 120.7 . .
C2 C3 H3 120.7 . .
C3 C4 C5 124.4(5) . .
C3 C4 N3 117.9(5) . .
C5 C4 N3 117.7(5) . .
C6 C5 C4 116.7(6) . .
C6 C5 H5 121.7 . .
C4 C5 H5 121.7 . .
C7 C6 C5 120.1(6) . .
C7 C6 N4 116.2(5) . .
C5 C6 N4 123.7(6) . .
C6 C7 C2 122.7(5) . .
C6 C7 H7 118.7 . .
C2 C7 H7 118.7 . .
C8A C9A C10 116.1(8) . .
C8A C9A H9A1 108.3 . .
C10 C9A H9A1 108.3 . .
C8A C9A H9A2 108.3 . .
C10 C9A H9A2 108.3 . .
H9A1 C9A H9A2 107.4 . .
C9B C8B H8B1 109.5 . .
C9B C8B H8B2 109.5 . .
H8B1 C8B H8B2 109.5 . .
C9B C8B H8B3 109.5 . .
H8B1 C8B H8B3 109.5 . .
H8B2 C8B H8B3 109.5 . .
C8B C9B C11 123.1(9) . .
C8B C9B H9B1 106.6 . .
C11 C9B H9B1 106.6 . .
C8B C9B H9B2 106.6 . .
C11 C9B H9B2 106.6 . .
H9B1 C9B H9B2 106.5 . .
N1 C10 N3 110.2(5) . .
N1 C10 C9A 126.1(6) . .
N3 C10 C9A 123.6(6) . .
N2 C11 N3 108.8(5) . .
N2 C11 C9B 127.9(6) . .
N3 C11 C9B 123.3(5) . .
O3 C13 N4 124.4(6) . .
O3 C13 C14 120.7(6) . .
N4 C13 C14 114.8(6) . .
C15 C14 C19 123.1(7) . .
C15 C14 C13 121.9(7) . .
C19 C14 C13 114.9(6) . .
C14 C15 C16 119.5(8) . .
C14 C15 H15 120.3 . .
C16 C15 H15 120.3 . .
O4 C16 C15 125.4(9) . .
O4 C16 C17 117.1(8) . .
C15 C16 C17 117.5(8) . .
C18 C17 C16 122.0(8) . .
C18 C17 H17 119.0 . .
C16 C17 H17 119.0 . .
C17 C18 O5 116.2(9) . .
C17 C18 C19 121.4(9) . .
O5 C18 C19 121.8(10) . .
C14 C19 C18 115.9(8) . .
C14 C19 H19 122.1 . .
C18 C19 H19 122.1 . .
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 H21A 109.5 . .
O5 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
O5 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
O7A C22A O6A 128.5(13) . .
O7A C22A C23 124.7(15) . .
O6A C22A C23 106.3(11) . .
O6B C22B O7B 128.8(16) . .
O6B C22B C23 123.3(13) . .
O7B C22B C23 107.5(19) . .
C28 C23 C22A 111.9(10) . .
C28 C23 C24 118.4(8) . .
C22A C23 C24 129.2(11) . .
C28 C23 C22B 129.2(10) . .
C22A C23 C22B 19.6(7) . .
C24 C23 C22B 112.3(12) . .
C25 C24 C23 119.3(8) . .
C25 C24 H24 120.3 . .
C23 C24 H24 120.3 . .
C24 C25 C26 123.8(7) . .
C24 C25 N7 119.4(7) . .
C26 C25 N7 116.9(6) . .
C25 C26 C27 116.6(8) . .
C25 C26 H26 121.7 . .
C27 C26 H26 121.7 . .
C28 C27 N8 117.2(8) . .
C28 C27 C26 121.4(9) . .
N8 C27 C26 121.4(9) . .
C27 C28 C23 120.2(8) . .
C27 C28 H28 119.9 . .
C23 C28 H28 119.9 . .
C30A C29A H29A 109.5 . .
C30A C29A H29B 109.5 . .
H29A C29A H29B 109.5 . .
C30A C29A H29C 109.5 . .
H29A C29A H29C 109.5 . .
H29B C29A H29C 109.5 . .
C29A C30A C31 110.9(13) . .
C29A C30A H30A 109.5 . .
C31 C30A H30A 109.5 . .
C29A C30A H30B 109.5 . .
C31 C30A H30B 109.5 . .
H30A C30A H30B 108.0 . .
H29D C29B H29E 109.5 . .
H29D C29B H29F 109.5 . .
H29E C29B H29F 109.5 . .
N6 C31 N7 109.6(6) . .
N6 C31 C30A 126.0(7) . .
N7 C31 C30A 124.3(7) . .
N5 C32 N7 107.9(7) . .
N5 C32 C33 126.6(7) . .
N7 C32 C33 125.4(7) . .
C32 C33 H33A 109.5 . .
C32 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C32 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
O8 C34 N8 121.6(9) . .
O8 C34 C35B 132.3(13) . .
N8 C34 C35B 106.1(11) . .
O8 C34 C35A 113.4(11) . .
N8 C34 C35A 125.0(10) . .
C35B C34 C35A 18.9(7) . .
C36A C35A C40A 122.9(12) . .
C36A C35A C34 116.6(12) . .
C40A C35A C34 119.8(11) . .
C35A C36A C37A 118.7(11) . .
C35A C36A H36A 120.6 . .
C37A C36A H36A 120.6 . .
C38A C37A O9A 115.8(13) . .
C38A C37A C36A 117.8(11) . .
O9A C37A C36A 125.5(12) . .
C37A C38A C39A 121.7(12) . .
C37A C38A H38A 119.1 . .
C39A C38A H38A 119.1 . .
O10A C39A C38A 114.2(13) . .
O10A C39A C40A 124.7(12) . .
C38A C39A C40A 121.2(12) . .
C35A C40A C39A 116.8(12) . .
C35A C40A H40A 121.6 . .
C39A C40A H40A 121.6 . .
O9A C41A H41A 109.5 . .
O9A C41A H41B 109.5 . .
H41A C41A H41B 109.5 . .
O9A C41A H41C 109.5 . .
H41A C41A H41C 109.5 . .
H41B C41A H41C 109.5 . .
O10A C42A H42A 109.5 . .
O10A C42A H42B 109.5 . .
H42A C42A H42B 109.5 . .
O10A C42A H42C 109.5 . .
H42A C42A H42C 109.5 . .
H42B C42A H42C 109.5 . .
C40B C35B C36B 121.4(13) . .
C40B C35B C34 108.0(13) . .
C36B C35B C34 130.5(14) . .
C35B C36B C37B 117.4(14) . .
C35B C36B H36B 121.3 . .
C37B C36B H36B 121.3 . .
O9B C37B C38B 106.8(18) . .
O9B C37B C36B 131.4(18) . .
C38B C37B C36B 121.7(14) . .
C37B C38B C39B 119.9(14) . .
C37B C38B H38B 120.0 . .
C39B C38B H38B 120.0 . .
O10B C39B C38B 119.6(19) . .
O10B C39B C40B 121.6(19) . .
C38B C39B C40B 118.7(14) . .
C35B C40B C39B 120.6(14) . .
C35B C40B H40B 119.7 . .
C39B C40B H40B 119.7 . .
O9B C41B H41D 109.5 . .
O9B C41B H41E 109.5 . .
H41D C41B H41E 109.5 . .
O9B C41B H41F 109.5 . .
H41D C41B H41F 109.5 . .
H41E C41B H41F 109.5 . .
O10B C42B H42D 109.5 . .
O10B C42B H42E 109.5 . .
H42D C42B H42E 109.5 . .
O10B C42B H42F 109.5 . .
H42D C42B H42F 109.5 . .
H42E C42B H42F 109.5 . .
O12 C43 O11 125.1(8) . .
O12 C43 C44 120.1(10) . .
O11 C43 C44 114.7(9) . .
C45 C44 C49 119.4(6) . .
C45 C44 C43 121.3(7) . .
C49 C44 C43 119.3(7) . .
C44 C45 C46 118.9(6) . .
C44 C45 H45 120.6 . .
C46 C45 H45 120.6 . .
C47 C46 C45 123.0(5) . .
C47 C46 N11 119.9(5) . .
C45 C46 N11 117.1(5) . .
C46 C47 C48 117.8(5) . .
C46 C47 H47 121.1 . .
C48 C47 H47 121.1 . .
C49 C48 N12 116.6(5) . .
C49 C48 C47 119.5(6) . .
N12 C48 C47 123.8(5) . .
C48 C49 C44 121.2(6) . .
C48 C49 H49 119.4 . .
C44 C49 H49 119.4 . .
C50A C51A C52 118.3(8) . .
C50A C51A H51A 107.7 . .
C52 C51A H51A 107.7 . .
C50A C51A H51B 107.7 . .
C52 C51A H51B 107.7 . .
H51A C51A H51B 107.1 . .
C51B C50B H50D 109.5 . .
C51B C50B H50E 109.5 . .
H50D C50B H50E 109.5 . .
C51B C50B H50F 109.5 . .
H50D C50B H50F 109.5 . .
H50E C50B H50F 109.5 . .
C50B C51B C53 106.9(17) . .
C50B C51B H51C 110.3 . .
C53 C51B H51C 110.3 . .
C50B C51B H51D 110.3 . .
C53 C51B H51D 110.3 . .
H51C C51B H51D 108.6 . .
N9 C52 N11 108.2(6) . .
N9 C52 C51A 128.6(6) . .
N11 C52 C51A 123.2(6) . .
N10 C53 N11 109.6(5) . .
N10 C53 C51B 125.3(6) . .
N11 C53 C51B 125.1(5) . .
O13 C55 N12 122.6(6) . .
O13 C55 C56 119.7(6) . .
N12 C55 C56 117.7(5) . .
C61 C56 C57 121.7(6) . .
C61 C56 C55 117.0(5) . .
C57 C56 C55 121.2(6) . .
C56 C57 C58 117.3(6) . .
C56 C57 H57 121.4 . .
C58 C57 H57 121.4 . .
O14 C58 C59 115.8(6) . .
O14 C58 C57 122.5(6) . .
C59 C58 C57 121.7(6) . .
C58 C59 C60 120.0(6) . .
C58 C59 H59 120.0 . .
C60 C59 H59 120.0 . .
O15 C60 C61 127.3(6) . .
O15 C60 C59 114.8(6) . .
C61 C60 C59 117.9(6) . .
C56 C61 C60 121.5(6) . .
C56 C61 H61 119.3 . .
C60 C61 H61 119.3 . .
O14 C62 H62A 109.5 . .
O14 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
O14 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
O15 C63A H63A 109.5 . .
O15 C63A H63B 109.5 . .
O15 C63A H63C 109.5 . .
O15 C63B H63D 109.5 . .
O15 C63B H63E 109.5 . .
H63D C63B H63E 109.5 . .
O15 C63B H63F 109.5 . .
H63D C63B H63F 109.5 . .
H63E C63B H63F 109.5 . .
O17 C64 O16 125.8(7) . .
O17 C64 C65 116.9(7) . .
O16 C64 C65 117.3(6) . .
C70 C65 C66 121.2(6) . .
C70 C65 C64 120.3(6) . .
C66 C65 C64 118.5(6) . .
C67 C66 C65 116.8(6) . .
C67 C66 H66 121.6 . .
C65 C66 H66 121.6 . .
C66 C67 C68 123.8(5) . .
C66 C67 N15 118.9(6) . .
C68 C67 N15 117.2(6) . .
C67 C68 C69 118.3(6) . .
C67 C68 H68 120.9 . .
C69 C68 H68 120.9 . .
C70 C69 C68 119.0(6) . .
C70 C69 N16 116.7(5) . .
C68 C69 N16 124.3(6) . .
C65 C70 C69 120.8(5) . .
C65 C70 H70 119.6 . .
C69 C70 H70 119.6 . .
C72 C71 H71A 109.5 . .
C72 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C72 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C73 C72 C71 115.0(7) . .
C73 C72 H72A 108.5 . .
C71 C72 H72A 108.5 . .
C73 C72 H72B 108.5 . .
C71 C72 H72B 108.5 . .
H72A C72 H72B 107.5 . .
N14 C73 N15 108.4(6) . .
N14 C73 C72 129.3(6) . .
N15 C73 C72 122.3(6) . .
N13 C74 N15 108.4(6) . .
N13 C74 C75 126.2(6) . .
N15 C74 C75 125.4(6) . .
C74 C75 H75A 109.5 . .
C74 C75 H75B 109.5 . .
H75A C75 H75B 109.5 . .
C74 C75 H75C 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
O18 C76 N16 122.2(7) . .
O18 C76 C77 122.0(7) . .
N16 C76 C77 115.8(6) . .
C82 C77 C78 122.0(7) . .
C82 C77 C76 115.0(7) . .
C78 C77 C76 122.9(7) . .
C79 C78 C77 115.4(8) . .
C79 C78 H78 122.3 . .
C77 C78 H78 122.3 . .
C80 C79 C78 122.7(10) . .
C80 C79 O19 115.8(9) . .
C78 C79 O19 121.4(10) . .
C79 C80 C81 121.4(9) . .
C79 C80 H80 119.3 . .
C81 C80 H80 119.3 . .
O20 C81 C80 118.1(9) . .
O20 C81 C82 124.1(10) . .
C80 C81 C82 117.6(11) . .
C77 C82 C81 120.8(9) . .
C77 C82 H82 119.6 . .
C81 C82 H82 119.6 . .
O19 C83A H83A 109.5 . .
O19 C83A H83B 109.5 . .
O19 C83A H83C 109.5 . .
O19 C83B H83D 109.5 . .
O19 C83B H83E 109.5 . .
H83D C83B H83E 109.5 . .
O19 C83B H83F 109.5 . .
H83D C83B H83F 109.5 . .
H83E C83B H83F 109.5 . .
O20 C84 H84A 109.5 . .
O20 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
O20 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
N14 Ag1 N10 123.5(2) . .
N14 Ag1 O1 135.94(19) . .
N10 Ag1 O1 100.57(18) . .
N9 Ag2 O6B 135.1(3) . .
N9 Ag2 N13 124.20(19) . .
O6B Ag2 N13 100.6(3) . .
N9 Ag2 O6A 133.9(3) . .
O6B Ag2 O6A 13.6(4) . .
N13 Ag2 O6A 98.9(3) . .
N6 Ag3 O16 131.2(2) 5_544 7_644
N6 Ag3 N1 125.7(2) 5_544 .
O16 Ag3 N1 102.8(2) 7_644 .
N2 Ag4 N5 127.3(2) . 5_544
N2 Ag4 O11 132.0(2) . 3_754
N5 Ag4 O11 98.4(2) 5_544 3_754
C10 N1 N2 107.0(5) . .
C10 N1 Ag3 134.9(4) . .
N2 N1 Ag3 117.2(3) . .
C11 N2 N1 108.4(4) . .
C11 N2 Ag4 135.9(4) . .
N1 N2 Ag4 115.6(3) . .
C10 N3 C11 105.6(5) . .
C10 N3 C4 127.7(5) . .
C11 N3 C4 126.4(5) . .
C13 N4 C6 128.6(6) . .
C13 N4 H4 115.7 . .
C6 N4 H4 115.7 . .
C32 N5 N6 108.4(5) . .
C32 N5 Ag4 132.8(5) . 5_455
N6 N5 Ag4 118.4(4) . 5_455
C31 N6 N5 107.6(6) . .
C31 N6 Ag3 137.9(5) . 5_455
N5 N6 Ag3 114.5(4) . 5_455
C31 N7 C32 106.5(6) . .
C31 N7 C25 129.7(6) . .
C32 N7 C25 123.7(7) . .
C34 N8 C27 129.0(8) . .
C34 N8 H8 115.5 . .
C27 N8 H8 115.5 . .
C52 N9 N10 109.6(5) . .
C52 N9 Ag2 134.9(4) . .
N10 N9 Ag2 115.3(3) . .
C53 N10 N9 106.5(5) . .
C53 N10 Ag1 133.1(4) . .
N9 N10 Ag1 120.3(3) . .
C52 N11 C53 106.0(5) . .
C52 N11 C46 128.9(5) . .
C53 N11 C46 125.2(5) . .
C55 N12 C48 128.7(5) . .
C55 N12 H12 115.6 . .
C48 N12 H12 115.6 . .
C74 N13 N14 108.9(5) . .
C74 N13 Ag2 130.5(5) . .
N14 N13 Ag2 120.0(3) . .
C73 N14 N13 108.0(5) . .
C73 N14 Ag1 136.8(5) . .
N13 N14 Ag1 115.2(3) . .
C73 N15 C74 106.2(5) . .
C73 N15 C67 129.1(5) . .
C74 N15 C67 124.2(5) . .
C76 N16 C69 127.1(6) . .
C76 N16 H16 116.4 . .
C69 N16 H16 116.4 . .
C1 O1 Ag1 109.6(5) . .
C16 O4 C20 116.9(8) . .
C18 O5 C21 121.4(8) . .
C22A O6A Ag2 118.4(10) . .
C22B O6B Ag2 101.7(10) . .
C37A O9A C41A 114.1(12) . .
C39A O10A C42A 117.8(13) . .
C37B O9B C41B 109(2) . .
C39B O10B C42B 126(3) . .
C43 O11 Ag4 98.4(6) . 3_755
C58 O14 C62 117.8(5) . .
C60 O15 C63A 117.0(8) . .
C60 O15 C63B 120.8(17) . .
C63A O15 C63B 18.9(18) . .
C64 O16 Ag3 110.5(4) . 7_654
C83A O19 C83B 23(3) . .
C83A O19 C79 118.9(12) . .
C83B O19 C79 111(3) . .
C81 O20 C84 117.8(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.251(9) .
C1 O2 1.265(9) .
C1 C2 1.487(10) .
C2 C7 1.384(9) .
C2 C3 1.434(8) .
C3 C4 1.330(9) .
C3 H3 0.9500 .
C4 C5 1.411(9) .
C4 N3 1.466(7) .
C5 C6 1.390(9) .
C5 H5 0.9500 .
C6 C7 1.370(9) .
C6 N4 1.404(8) .
C7 H7 0.9500 .
C8A C9A 1.504(13) .
C8A H8A1 0.9800 .
C8A H8A2 0.9800 .
C8A H8A3 0.9800 .
C9A C10 1.526(10) .
C9A H9A1 0.9900 .
C9A H9A2 0.9900 .
C8B C9B 1.463(14) .
C8B H8B1 0.9800 .
C8B H8B2 0.9800 .
C8B H8B3 0.9800 .
C9B C11 1.498(9) .
C9B H9B1 0.9900 .
C9B H9B2 0.9900 .
C10 N1 1.292(8) .
C10 N3 1.354(8) .
C11 N2 1.299(8) .
C11 N3 1.360(8) .
C13 O3 1.215(8) .
C13 N4 1.332(9) .
C13 C14 1.550(9) .
C14 C15 1.351(11) .
C14 C19 1.380(11) .
C15 C16 1.412(11) .
C15 H15 0.9500 .
C16 O4 1.366(11) .
C16 C17 1.413(14) .
C17 C18 1.298(14) .
C17 H17 0.9500 .
C18 O5 1.347(12) .
C18 C19 1.444(12) .
C19 H19 0.9500 .
C20 O4 1.375(15) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 O5 1.421(15) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22A O7A 1.256(17) .
C22A O6A 1.26(2) .
C22A C23 1.403(16) .
C22B O6B 1.23(3) .
C22B O7B 1.29(2) .
C22B C23 1.68(2) .
C23 C28 1.403(13) .
C23 C24 1.415(10) .
C24 C25 1.353(10) .
C24 H24 0.9500 .
C25 C26 1.374(11) .
C25 N7 1.458(8) .
C26 C27 1.420(12) .
C26 H26 0.9500 .
C27 C28 1.364(13) .
C27 N8 1.415(12) .
C28 H28 0.9500 .
C29A C30A 1.52(2) .
C29A H29A 0.9800 .
C29A H29B 0.9800 .
C29A H29C 0.9800 .
C30A C31 1.536(12) .
C30A H30A 0.9900 .
C30A H30B 0.9900 .
C29B H29D 0.9800 .
C29B H29E 0.9800 .
C29B H29F 0.9800 .
C31 N6 1.308(8) .
C31 N7 1.358(9) .
C32 N5 1.323(10) .
C32 N7 1.373(10) .
C32 C33 1.481(11) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 O8 1.240(12) .
C34 N8 1.329(14) .
C34 C35B 1.51(2) .
C34 C35A 1.587(18) .
C35A C36A 1.364(13) .
C35A C40A 1.369(14) .
C36A C37A 1.408(13) .
C36A H36A 0.9500 .
C37A C38A 1.360(14) .
C37A O9A 1.367(17) .
C38A C39A 1.365(13) .
C38A H38A 0.9500 .
C39A O10A 1.364(18) .
C39A C40A 1.378(13) .
C40A H40A 0.9500 .
C41A O9A 1.49(2) .
C41A H41A 0.9800 .
C41A H41B 0.9800 .
C41A H41C 0.9800 .
C42A O10A 1.42(2) .
C42A H42A 0.9800 .
C42A H42B 0.9800 .
C42A H42C 0.9800 .
C35B C40B 1.386(16) .
C35B C36B 1.393(16) .
C36B C37B 1.407(16) .
C36B H36B 0.9500 .
C37B O9B 1.25(2) .
C37B C38B 1.392(16) .
C38B C39B 1.394(16) .
C38B H38B 0.9500 .
C39B O10B 1.26(3) .
C39B C40B 1.405(16) .
C40B H40B 0.9500 .
C41B O9B 1.66(4) .
C41B H41D 0.9800 .
C41B H41E 0.9800 .
C41B H41F 0.9800 .
C42B O10B 1.42(4) .
C42B H42D 0.9800 .
C42B H42E 0.9800 .
C42B H42F 0.9800 .
C43 O12 1.221(13) .
C43 O11 1.274(13) .
C43 C44 1.503(11) .
C44 C45 1.387(9) .
C44 C49 1.400(10) .
C45 C46 1.390(9) .
C45 H45 0.9500 .
C46 C47 1.380(8) .
C46 N11 1.423(7) .
C47 C48 1.417(8) .
C47 H47 0.9500 .
C48 C49 1.389(9) .
C48 N12 1.401(8) .
C49 H49 0.9500 .
C50A C51A 1.440(15) .
C50A H50A 0.9800 .
C50A H50B 0.9800 .
C50A H50C 0.9800 .
C51A C52 1.487(11) .
C51A H51A 0.9900 .
C51A H51B 0.9900 .
C50B C51B 1.47(4) .
C50B H50D 0.9800 .
C50B H50E 0.9800 .
C50B H50F 0.9800 .
C51B C53 1.470(10) .
C51B H51C 0.9900 .
C51B H51D 0.9900 .
C52 N9 1.308(8) .
C52 N11 1.378(8) .
C53 N10 1.316(7) .
C53 N11 1.381(8) .
C55 O13 1.234(7) .
C55 N12 1.336(8) .
C55 C56 1.522(8) .
C56 C61 1.369(9) .
C56 C57 1.381(8) .
C57 C58 1.421(9) .
C57 H57 0.9500 .
C58 O14 1.356(8) .
C58 C59 1.357(10) .
C59 C60 1.427(10) .
C59 H59 0.9500 .
C60 O15 1.340(8) .
C60 C61 1.384(9) .
C61 H61 0.9500 .
C62 O14 1.414(9) .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63A O15 1.433(11) .
C63A H63A 0.9800 .
C63A H63B 0.9800 .
C63A H63C 0.9800 .
C63B O15 1.437(16) .
C63B H63D 0.9800 .
C63B H63E 0.9800 .
C63B H63F 0.9800 .
C64 O17 1.266(9) .
C64 O16 1.270(10) .
C64 C65 1.525(11) .
C65 C70 1.369(10) .
C65 C66 1.416(9) .
C66 C67 1.369(9) .
C66 H66 0.9500 .
C67 C68 1.391(9) .
C67 N15 1.436(7) .
C68 C69 1.405(9) .
C68 H68 0.9500 .
C69 C70 1.401(10) .
C69 N16 1.407(9) .
C70 H70 0.9500 .
C71 C72 1.528(13) .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 C73 1.476(10) .
C72 H72A 0.9900 .
C72 H72B 0.9900 .
C73 N14 1.320(8) .
C73 N15 1.378(8) .
C74 N13 1.305(8) .
C74 N15 1.384(9) .
C74 C75 1.475(11) .
C75 H75A 0.9800 .
C75 H75B 0.9800 .
C75 H75C 0.9800 .
C76 O18 1.219(8) .
C76 N16 1.371(9) .
C76 C77 1.518(10) .
C77 C82 1.384(11) .
C77 C78 1.400(10) .
C78 C79 1.397(11) .
C78 H78 0.9500 .
C79 C80 1.361(15) .
C79 O19 1.410(12) .
C80 C81 1.381(15) .
C80 H80 0.9500 .
C81 O20 1.365(14) .
C81 C82 1.388(12) .
C82 H82 0.9500 .
C83A O19 1.347(15) .
C83A H83A 0.9800 .
C83A H83B 0.9800 .
C83A H83C 0.9800 .
C83B O19 1.37(2) .
C83B H83D 0.9800 .
C83B H83E 0.9800 .
C83B H83F 0.9800 .
C84 O20 1.500(18) .
C84 H84A 0.9800 .
C84 H84B 0.9800 .
C84 H84C 0.9800 .
Ag1 N14 2.222(5) .
Ag1 N10 2.267(5) .
Ag1 O1 2.293(5) .
Ag2 N9 2.203(5) .
Ag2 O6B 2.213(11) .
Ag2 N13 2.282(5) .
Ag2 O6A 2.367(13) .
Ag3 N6 2.225(6) 5_544
Ag3 O16 2.254(5) 7_644
Ag3 N1 2.293(5) .
Ag4 N2 2.190(5) .
Ag4 N5 2.245(5) 5_544
Ag4 O11 2.345(5) 3_754
N1 N2 1.372(7) .
N4 H4 0.8800 .
N5 N6 1.377(9) .
N5 Ag4 2.245(5) 5_455
N6 Ag3 2.225(6) 5_455
N8 H8 0.8800 .
N9 N10 1.390(7) .
N12 H12 0.8800 .
N13 N14 1.376(8) .
N16 H16 0.8800 .
O11 Ag4 2.345(5) 3_755
O16 Ag3 2.254(5) 7_654
