#------------------------------------------------------------------------------
#$Date: 2017-03-29 17:12:52 +0300 (Wed, 29 Mar 2017) $
#$Revision: 194585 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/07/7050763.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_7050763
loop_
_publ_author_name
'Jian Fan'
'Wei-Yin Sun'
'Taka-aki Okamura'
'Jin Xie'
'Wen-Xia Tang'
'Norikazu Ueyama'
_publ_section_title
;
 First example of a dumbbell-like architecture containing M3L2 cages
 and terephthalate anions
;
_journal_issue                   2
_journal_name_full               'New J. Chem.'
_journal_page_first              199
_journal_page_last               201
_journal_paper_doi               10.1039/b109141g
_journal_volume                  26
_chemical_formula_moiety         'C108 H154 Ag6 N24 O35 '
_chemical_formula_sum            'C108 H154 Ag6 N24 O35'
_chemical_formula_weight         2995.77
_chemical_name_systematic
;
[Ag3(titmb)2]2[1,4-C6H4(COO)2]3× 23H2O (1)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             'Tue Sep 18 19:12:52 2001'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.5310(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   35.8754(6)
_cell_length_b                   17.6365(3)
_cell_length_c                   43.1894(8)
_cell_measurement_reflns_used    44058
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.3
_cell_volume                     25054.3(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.855
_diffrn_measured_fraction_theta_max 0.855
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0528
_diffrn_reflns_av_sigmaI/netI    0.1426
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       56
_diffrn_reflns_limit_l_min       -56
_diffrn_reflns_number            40657
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.03
_exptl_absorpt_coefficient_mu    1.006
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.758
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             12256
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.158
_refine_diff_density_min         -0.892
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.819
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1570
_refine_ls_number_reflns         24551
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.819
_refine_ls_R_factor_all          0.1535
_refine_ls_R_factor_gt           0.0510
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0502P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1009
_refine_ls_wR_factor_ref         0.1202
_reflns_number_gt                10208
_reflns_number_total             24551
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b109141g.txt
_cod_data_source_block           1
_cod_depositor_comments
;
 Replacing the "&#x00A1;&#x00A4;" substring with the "\\times " substring in
 the _chemical_name_systematic data items value.

 Antanas Vaitkus,
 2017-03-29
;
_cod_database_code               7050763
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.704838(14) 0.48779(2) 0.058489(12) 0.04201(13) Uani 1 1 d . . .
Ag2 Ag 0.508195(18) 0.50376(3) -0.042711(19) 0.0810(2) Uani 1 1 d . . .
Ag3 Ag 0.638541(17) 0.51640(2) -0.117882(13) 0.05126(15) Uani 1 1 d . . .
Ag4 Ag 0.278624(15) 0.53038(2) -0.307479(13) 0.04649(14) Uani 1 1 d . . .
Ag5 Ag 0.495989(16) 0.50589(3) -0.212935(14) 0.05398(15) Uani 1 1 d . . .
Ag6 Ag 0.368133(19) 0.53958(3) -0.130634(14) 0.06244(18) Uani 1 1 d . . .
O1 O 0.56907(18) 0.5715(4) -0.07959(16) 0.108(2) Uani 1 1 d . . .
O2 O 0.57141(18) 0.4502(4) -0.09344(16) 0.117(2) Uani 1 1 d . . .
O3 O 0.37241(16) 0.6060(3) -0.20577(15) 0.0924(19) Uani 1 1 d . . .
O4 O 0.37159(16) 0.4775(3) -0.21359(14) 0.0882(17) Uani 1 1 d . . .
O5 O 0.83038(17) 0.4814(3) 0.19689(13) 0.0788(15) Uani 1 1 d . . .
O6 O 0.89742(18) 0.4685(3) 0.22641(13) 0.0786(16) Uani 1 1 d . . .
O7 O 0.79925(14) 0.4502(3) 0.34699(12) 0.0724(15) Uani 1 1 d . . .
O8 O 0.86387(14) 0.4751(3) 0.37610(12) 0.0746(15) Uani 1 1 d . . .
O9 O 0.75408(12) 0.4894(2) 0.03061(10) 0.0445(10) Uani 1 1 d . . .
O10 O 0.79259(11) 0.4853(2) 0.08607(10) 0.0435(10) Uani 1 1 d . . .
O11 O 0.92523(12) 0.5062(2) -0.00691(11) 0.0517(11) Uani 1 1 d . . .
O12 O 0.96553(12) 0.5047(2) 0.04729(11) 0.0513(11) Uani 1 1 d . . .
O13 O 0.52376(12) 0.0722(2) 0.53176(10) 0.0461(11) Uani 1 1 d . . .
H109 H 0.5061 0.0426 0.5316 0.055 Uiso 1 1 d . . .
H110 H 0.5335 0.0386 0.5241 0.055 Uiso 1 1 d . . .
O14 O 0.56707(14) 0.1067(2) 0.59809(11) 0.0595(13) Uani 1 1 d . . .
H111 H 0.5569 0.0989 0.5778 0.071 Uiso 1 1 d . . .
H112 H 0.5873 0.0779 0.6036 0.071 Uiso 1 1 d . . .
O15 O 0.34339(16) 0.0654(2) 0.14589(11) 0.0692(14) Uani 1 1 d . . .
H113 H 0.3399 0.0340 0.1585 0.083 Uiso 1 1 d . . .
H114 H 0.3356 0.0324 0.1297 0.083 Uiso 1 1 d . . .
O16 O 0.13422(16) 0.5487(3) 0.06824(11) 0.0766(15) Uani 1 1 d . . .
H115 H 0.1158 0.5309 0.0516 0.092 Uiso 1 1 d . . .
H116 H 0.1365 0.5240 0.0842 0.092 Uiso 1 1 d . . .
O17 O 0.29008(15) 0.4031(2) 0.02184(12) 0.0752(15) Uani 1 1 d . . .
H117 H 0.2866 0.4283 0.0362 0.090 Uiso 1 1 d . . .
H118 H 0.2772 0.4253 0.0048 0.090 Uiso 1 1 d . . .
O18 O 0.00966(14) 0.4724(3) 0.11487(11) 0.0788(15) Uani 1 1 d . . .
H119 H 0.0322 0.4617 0.1160 0.095 Uiso 1 1 d . . .
H120 H -0.0074 0.4883 0.0981 0.095 Uiso 1 1 d . . .
O19 O 0.78349(16) 0.0978(2) 0.03063(12) 0.0808(16) Uani 1 1 d . . .
H121 H 0.8054 0.0879 0.0297 0.097 Uiso 1 1 d . . .
H122 H 0.7655 0.0774 0.0150 0.097 Uiso 1 1 d . . .
O20 O 0.42910(15) 0.0966(3) 0.16121(12) 0.0761(15) Uani 1 1 d . . .
O21 O 0.77517(15) 0.0176(3) 0.57238(13) 0.0874(16) Uani 1 1 d . . .
H123 H 0.7523 0.0250 0.5736 0.105 Uiso 1 1 d . . .
H124 H 0.7896 0.0380 0.5908 0.105 Uiso 1 1 d . . .
O22 O 0.86655(17) 0.0833(3) 0.03666(13) 0.0889(17) Uani 1 1 d . . .
O23 O 0.48462(16) 0.9753(3) 0.16597(14) 0.0963(18) Uani 1 1 d . . .
O24 O 0.70795(17) 0.3745(3) 0.21354(16) 0.103(2) Uani 1 1 d . . .
H125 H 0.7109 0.3809 0.1947 0.124 Uiso 1 1 d . . .
H126 H 0.7102 0.4167 0.2257 0.124 Uiso 1 1 d . . .
O25 O 0.36797(17) 0.4271(3) 0.02331(15) 0.0981(19) Uani 1 1 d . . .
O26 O 0.21123(17) 0.4676(4) 0.09317(14) 0.110(2) Uani 1 1 d . . .
H127 H 0.1958 0.5059 0.0876 0.132 Uiso 1 1 d . . .
H128 H 0.1988 0.4378 0.1009 0.132 Uiso 1 1 d . . .
O27 O 0.52614(19) 0.0028(4) 0.23380(15) 0.116(2) Uani 1 1 d . . .
H129 H 0.5163 -0.0243 0.2184 0.139 Uiso 1 1 d . . .
H130 H 0.5505 -0.0053 0.2448 0.139 Uiso 1 1 d . . .
O28 O 0.4223(2) 0.8970(3) 0.17776(16) 0.118(2) Uani 1 1 d . . .
H131 H 0.4100 0.9429 0.1728 0.142 Uiso 1 1 d . . .
H132 H 0.4444 0.9153 0.1765 0.142 Uiso 1 1 d . . .
O29 O 0.7976(2) 0.3955(3) 0.14168(14) 0.143(3) Uani 1 1 d . . .
H133 H 0.8017 0.4137 0.1608 0.171 Uiso 1 1 d . . .
H134 H 0.8218 0.3963 0.1393 0.171 Uiso 1 1 d . . .
O30 O 0.5500(3) 0.0956(4) 0.0725(2) 0.171(3) Uani 1 1 d . . .
O31 O 0.21152(18) 0.0352(4) 0.22843(19) 0.161(4) Uani 1 1 d . . .
O32 O 0.7221(2) 0.4205(5) 0.1554(2) 0.177(3) Uani 1 1 d . . .
O33 O 0.2446(2) 0.0541(5) 0.1788(2) 0.231(6) Uani 1 1 d . . .
O34 O 0.8946(3) 0.0238(8) 0.2278(3) 0.306(8) Uani 1 1 d . . .
H135 H 0.8855 0.0669 0.2326 0.367 Uiso 1 1 d . . .
H136 H 0.9166 0.0228 0.2448 0.367 Uiso 1 1 d . . .
O35 O 0.0971(4) 0.0066(10) 0.0219(4) 0.376(9) Uani 1 1 d . . .
N11 N 0.68935(16) 0.2484(3) 0.04084(13) 0.0449(14) Uani 1 1 d . . .
N12 N 0.69806(16) 0.3668(3) 0.05779(13) 0.0436(13) Uani 1 1 d . . .
N31 N 0.64786(16) 0.2769(3) -0.11377(13) 0.0418(13) Uani 1 1 d . . .
N32 N 0.64695(17) 0.3990(3) -0.12244(13) 0.0508(15) Uani 1 1 d . . .
N51 N 0.50982(16) 0.2673(3) -0.05855(14) 0.0507(15) Uani 1 1 d . . .
N52 N 0.50029(19) 0.3873(3) -0.05173(16) 0.0706(18) Uani 1 1 d . . .
N111 N 0.70832(14) 0.7318(2) 0.05371(12) 0.0355(12) Uani 1 1 d . . .
N112 N 0.71023(15) 0.6089(3) 0.06464(12) 0.0403(13) Uani 1 1 d . . .
N131 N 0.63570(15) 0.7540(2) -0.10578(11) 0.0342(12) Uani 1 1 d . . .
N132 N 0.63657(15) 0.6353(3) -0.11999(13) 0.0404(13) Uani 1 1 d . . .
N151 N 0.52177(15) 0.7405(3) -0.03048(14) 0.0475(14) Uani 1 1 d . . .
N152 N 0.50634(19) 0.6203(3) -0.03663(17) 0.0698(19) Uani 1 1 d . . .
N211 N 0.28265(15) 0.2898(3) -0.30289(13) 0.0429(13) Uani 1 1 d . . .
N212 N 0.27314(16) 0.4119(3) -0.31339(13) 0.0447(14) Uani 1 1 d . . .
N231 N 0.47688(16) 0.2695(3) -0.21687(12) 0.0399(13) Uani 1 1 d . . .
N232 N 0.49774(17) 0.3862(3) -0.21262(13) 0.0445(13) Uani 1 1 d . . .
N251 N 0.35764(15) 0.3001(3) -0.14505(12) 0.0371(12) Uani 1 1 d . . .
N252 N 0.36164(16) 0.4211(3) -0.13239(13) 0.0442(13) Uani 1 1 d . . .
N311 N 0.30324(15) 0.7673(3) -0.29519(13) 0.0419(13) Uani 1 1 d . . .
N312 N 0.28729(15) 0.6485(3) -0.30709(12) 0.0413(13) Uani 1 1 d . . .
N331 N 0.49225(15) 0.7449(3) -0.20453(14) 0.0476(14) Uani 1 1 d . . .
N332 N 0.50296(17) 0.6241(3) -0.20670(14) 0.0527(15) Uani 1 1 d . . .
N351 N 0.37494(18) 0.7780(3) -0.13467(13) 0.0545(16) Uani 1 1 d . . .
N352 N 0.37163(19) 0.6579(3) -0.12384(15) 0.0606(17) Uani 1 1 d . . .
C1 C 0.6443(2) 0.1947(3) -0.01503(17) 0.0432(17) Uani 1 1 d . . .
C2 C 0.65561(19) 0.2014(3) -0.04212(18) 0.0415(16) Uani 1 1 d . . .
C3 C 0.62584(19) 0.2041(3) -0.07474(16) 0.0382(15) Uani 1 1 d . . .
C4 C 0.58514(18) 0.2058(3) -0.08002(16) 0.0400(16) Uani 1 1 d . . .
C5 C 0.57336(18) 0.2005(3) -0.05316(17) 0.0390(16) Uani 1 1 d . . .
C6 C 0.6034(2) 0.1954(3) -0.02028(17) 0.0472(18) Uani 1 1 d . . .
C11 C 0.6754(2) 0.1789(3) 0.02031(17) 0.063(2) Uani 1 1 d . . .
H1 H 0.6633 0.1441 0.0318 0.076 Uiso 1 1 calc R . .
H2 H 0.6991 0.1531 0.0188 0.076 Uiso 1 1 calc R . .
C12 C 0.6795(2) 0.3205(3) 0.03273(17) 0.0483(18) Uani 1 1 d . . .
H3 H 0.6610 0.3366 0.0110 0.058 Uiso 1 1 calc R . .
C13 C 0.7231(2) 0.3204(4) 0.08291(18) 0.069(2) Uani 1 1 d . . .
H4 H 0.7418 0.3373 0.1044 0.082 Uiso 1 1 calc R . .
C14 C 0.7175(2) 0.2476(4) 0.07289(19) 0.068(2) Uani 1 1 d . . .
H5 H 0.7307 0.2043 0.0857 0.081 Uiso 1 1 calc R . .
C21 C 0.70015(19) 0.2061(3) -0.03611(18) 0.063(2) Uani 1 1 d . . .
H6 H 0.7162 0.2203 -0.0126 0.076 Uiso 1 1 calc R . .
H7 H 0.7037 0.2444 -0.0511 0.076 Uiso 1 1 calc R . .
H8 H 0.7093 0.1567 -0.0407 0.076 Uiso 1 1 calc R . .
C31 C 0.6386(2) 0.2021(3) -0.10387(17) 0.0519(19) Uani 1 1 d . . .
H9 H 0.6630 0.1695 -0.0978 0.062 Uiso 1 1 calc R . .
H10 H 0.6166 0.1787 -0.1235 0.062 Uiso 1 1 calc R . .
C32 C 0.6316(2) 0.3427(3) -0.11077(17) 0.0534(19) Uani 1 1 d . . .
H11 H 0.6118 0.3487 -0.1016 0.064 Uiso 1 1 calc R . .
C33 C 0.6750(2) 0.3679(4) -0.13185(17) 0.057(2) Uani 1 1 d . . .
H12 H 0.6915 0.3946 -0.1407 0.068 Uiso 1 1 calc R . .
C34 C 0.6758(2) 0.2917(3) -0.12656(16) 0.0510(18) Uani 1 1 d . . .
H13 H 0.6928 0.2559 -0.1310 0.061 Uiso 1 1 calc R . .
C41 C 0.5527(2) 0.2132(4) -0.11531(16) 0.062(2) Uani 1 1 d . . .
H14 H 0.5646 0.2342 -0.1303 0.074 Uiso 1 1 calc R . .
H15 H 0.5311 0.2470 -0.1150 0.074 Uiso 1 1 calc R . .
H16 H 0.5411 0.1631 -0.1236 0.074 Uiso 1 1 calc R . .
C51 C 0.52918(19) 0.1947(3) -0.05913(19) 0.057(2) Uani 1 1 d . . .
H17 H 0.5143 0.1704 -0.0813 0.069 Uiso 1 1 calc R . .
H18 H 0.5267 0.1613 -0.0416 0.069 Uiso 1 1 calc R . .
C52 C 0.5270(2) 0.3358(4) -0.05023(19) 0.063(2) Uani 1 1 d . . .
H19 H 0.5551 0.3456 -0.0440 0.075 Uiso 1 1 calc R . .
C53 C 0.4639(2) 0.3503(4) -0.0615(2) 0.084(3) Uani 1 1 d . . .
H20 H 0.4385 0.3730 -0.0650 0.101 Uiso 1 1 calc R . .
C54 C 0.4700(2) 0.2773(4) -0.0654(2) 0.068(2) Uani 1 1 d . . .
H21 H 0.4499 0.2387 -0.0719 0.082 Uiso 1 1 calc R . .
C61 C 0.5901(2) 0.1931(4) 0.00935(18) 0.070(2) Uani 1 1 d . . .
H22 H 0.5702 0.2335 0.0066 0.084 Uiso 1 1 calc R . .
H23 H 0.6138 0.2004 0.0306 0.084 Uiso 1 1 calc R . .
H24 H 0.5776 0.1438 0.0097 0.084 Uiso 1 1 calc R . .
C101 C 0.65820(19) 0.8029(3) 0.00442(16) 0.0387(15) Uani 1 1 d . . .
C102 C 0.66137(17) 0.8035(3) -0.02663(15) 0.0316(14) Uani 1 1 d . . .
C103 C 0.62639(19) 0.8101(3) -0.05584(15) 0.0353(15) Uani 1 1 d . . .
C104 C 0.58857(18) 0.8108(3) -0.05462(15) 0.0352(15) Uani 1 1 d . . .
C105 C 0.58520(19) 0.8080(3) -0.02361(17) 0.0376(15) Uani 1 1 d . . .
C106 C 0.6203(2) 0.8050(3) 0.00651(16) 0.0423(16) Uani 1 1 d . . .
C111 C 0.6966(2) 0.8059(3) 0.03703(16) 0.0533(19) Uani 1 1 d . . .
H25 H 0.7192 0.8257 0.0319 0.064 Uiso 1 1 calc R . .
H26 H 0.6921 0.8417 0.0528 0.064 Uiso 1 1 calc R . .
C112 C 0.69087(19) 0.6636(3) 0.04369(15) 0.0419(16) Uani 1 1 d . . .
H27 H 0.6672 0.6557 0.0237 0.050 Uiso 1 1 calc R . .
C113 C 0.74166(19) 0.6446(3) 0.08954(16) 0.0456(17) Uani 1 1 d . . .
H28 H 0.7614 0.6202 0.1087 0.055 Uiso 1 1 calc R . .
C114 C 0.74075(19) 0.7194(3) 0.08310(15) 0.0441(16) Uani 1 1 d . . .
H29 H 0.7593 0.7564 0.0966 0.053 Uiso 1 1 calc R . .
C121 C 0.70239(18) 0.7969(3) -0.02836(17) 0.0539(19) Uani 1 1 d . . .
H30 H 0.7189 0.7595 -0.0118 0.065 Uiso 1 1 calc R . .
H31 H 0.7161 0.8463 -0.0233 0.065 Uiso 1 1 calc R . .
H32 H 0.6989 0.7808 -0.0511 0.065 Uiso 1 1 calc R . .
C131 C 0.6306(2) 0.8239(3) -0.08890(15) 0.0473(17) Uani 1 1 d . . .
H33 H 0.6061 0.8511 -0.1044 0.057 Uiso 1 1 calc R . .
H34 H 0.6543 0.8573 -0.0846 0.057 Uiso 1 1 calc R . .
C132 C 0.62812(19) 0.6824(3) -0.09989(16) 0.0439(16) Uani 1 1 d . . .
H35 H 0.6181 0.6675 -0.0835 0.053 Uiso 1 1 calc R . .
C133 C 0.65088(18) 0.6789(3) -0.13912(15) 0.0416(16) Uani 1 1 d . . .
H36 H 0.6602 0.6605 -0.1554 0.050 Uiso 1 1 calc R . .
C134 C 0.64943(19) 0.7526(3) -0.13088(15) 0.0421(16) Uani 1 1 d . . .
H37 H 0.6566 0.7952 -0.1408 0.051 Uiso 1 1 calc R . .
C141 C 0.54997(19) 0.8137(4) -0.08699(16) 0.0573(19) Uani 1 1 d . . .
H38 H 0.5403 0.8662 -0.0915 0.069 Uiso 1 1 calc R . .
H39 H 0.5290 0.7821 -0.0844 0.069 Uiso 1 1 calc R . .
H40 H 0.5559 0.7948 -0.1059 0.069 Uiso 1 1 calc R . .
C151 C 0.5439(2) 0.8124(3) -0.02204(18) 0.0572(19) Uani 1 1 d . . .
H41 H 0.5474 0.8277 0.0010 0.069 Uiso 1 1 calc R . .
H42 H 0.5276 0.8520 -0.0379 0.069 Uiso 1 1 calc R . .
C152 C 0.5342(2) 0.6710(4) -0.0279(2) 0.067(2) Uani 1 1 d . . .
H43 H 0.5622 0.6584 -0.0201 0.081 Uiso 1 1 calc R . .
C153 C 0.4719(3) 0.6605(4) -0.0477(3) 0.103(3) Uani 1 1 d . . .
H44 H 0.4454 0.6394 -0.0567 0.124 Uiso 1 1 calc R . .
C154 C 0.4802(2) 0.7350(4) -0.0443(2) 0.093(3) Uani 1 1 d . . .
H45 H 0.4612 0.7755 -0.0502 0.111 Uiso 1 1 calc R . .
C161 C 0.6168(2) 0.8057(4) 0.04052(16) 0.065(2) Uani 1 1 d . . .
H46 H 0.6441 0.8039 0.0587 0.078 Uiso 1 1 calc R . .
H47 H 0.6011 0.7616 0.0422 0.078 Uiso 1 1 calc R . .
H48 H 0.6030 0.8522 0.0426 0.078 Uiso 1 1 calc R . .
C201 C 0.33661(19) 0.2275(3) -0.25319(16) 0.0408(16) Uani 1 1 d . . .
C202 C 0.3748(2) 0.2232(3) -0.25447(16) 0.0375(15) Uani 1 1 d . . .
C203 C 0.40871(18) 0.2192(3) -0.22415(17) 0.0358(15) Uani 1 1 d . . .
C204 C 0.40524(18) 0.2236(3) -0.19306(17) 0.0410(16) Uani 1 1 d . . .
C205 C 0.3662(2) 0.2301(3) -0.19273(16) 0.0394(16) Uani 1 1 d . . .
C206 C 0.33157(19) 0.2325(3) -0.22284(17) 0.0397(16) Uani 1 1 d . . .
C211 C 0.2987(2) 0.2178(3) -0.28617(17) 0.0528(19) Uani 1 1 d . . .
H49 H 0.3056 0.1852 -0.3018 0.063 Uiso 1 1 calc R . .
H50 H 0.2773 0.1918 -0.2812 0.063 Uiso 1 1 calc R . .
C212 C 0.29453(19) 0.3604(3) -0.29217(17) 0.0458(17) Uani 1 1 d . . .
H51 H 0.3163 0.3718 -0.2713 0.055 Uiso 1 1 calc R . .
C213 C 0.2444(2) 0.3726(4) -0.33978(17) 0.0515(18) Uani 1 1 d . . .
H52 H 0.2241 0.3946 -0.3593 0.062 Uiso 1 1 calc R . .
C214 C 0.2500(2) 0.2975(3) -0.33318(17) 0.0471(17) Uani 1 1 d . . .
H53 H 0.2343 0.2576 -0.3470 0.056 Uiso 1 1 calc R . .
C221 C 0.3783(2) 0.2264(4) -0.28786(17) 0.061(2) Uani 1 1 d . . .
H54 H 0.4033 0.2532 -0.2853 0.073 Uiso 1 1 calc R . .
H55 H 0.3548 0.2534 -0.3042 0.073 Uiso 1 1 calc R . .
H56 H 0.3791 0.1748 -0.2960 0.073 Uiso 1 1 calc R . .
C231 C 0.44963(19) 0.2021(3) -0.22457(18) 0.0534(19) Uani 1 1 d . . .
H57 H 0.4630 0.1619 -0.2078 0.064 Uiso 1 1 calc R . .
H58 H 0.4457 0.1824 -0.2471 0.064 Uiso 1 1 calc R . .
C232 C 0.4657(2) 0.3419(3) -0.22248(15) 0.0435(16) Uani 1 1 d . . .
H59 H 0.4383 0.3591 -0.2323 0.052 Uiso 1 1 calc R . .
C233 C 0.5313(2) 0.3402(4) -0.20057(16) 0.0509(18) Uani 1 1 d . . .
H60 H 0.5589 0.3563 -0.1920 0.061 Uiso 1 1 calc R . .
C234 C 0.5181(2) 0.2677(4) -0.20311(16) 0.0474(17) Uani 1 1 d . . .
H61 H 0.5347 0.2237 -0.1965 0.057 Uiso 1 1 calc R . .
C241 C 0.44218(19) 0.2212(4) -0.16036(16) 0.058(2) Uani 1 1 d . . .
H62 H 0.4482 0.1685 -0.1528 0.070 Uiso 1 1 calc R . .
H63 H 0.4370 0.2505 -0.1432 0.070 Uiso 1 1 calc R . .
H64 H 0.4654 0.2430 -0.1637 0.070 Uiso 1 1 calc R . .
C251 C 0.3614(2) 0.2257(3) -0.15931(16) 0.0474(17) Uani 1 1 d . . .
H65 H 0.3369 0.1952 -0.1626 0.057 Uiso 1 1 calc R . .
H66 H 0.3852 0.1987 -0.1427 0.057 Uiso 1 1 calc R . .
C252 C 0.3679(2) 0.3690(3) -0.15173(17) 0.0504(18) Uani 1 1 d . . .
H67 H 0.3785 0.3792 -0.1683 0.060 Uiso 1 1 calc R . .
C253 C 0.3469(2) 0.3840(4) -0.11239(17) 0.061(2) Uani 1 1 d . . .
H68 H 0.3396 0.4068 -0.0957 0.073 Uiso 1 1 calc R . .
C254 C 0.3442(2) 0.3088(4) -0.12002(17) 0.0557(19) Uani 1 1 d . . .
H69 H 0.3348 0.2699 -0.1098 0.067 Uiso 1 1 calc R . .
C261 C 0.2905(2) 0.2414(4) -0.22212(18) 0.062(2) Uani 1 1 d . . .
H70 H 0.2924 0.2754 -0.2036 0.074 Uiso 1 1 calc R . .
H71 H 0.2806 0.1917 -0.2186 0.074 Uiso 1 1 calc R . .
H72 H 0.2717 0.2628 -0.2436 0.074 Uiso 1 1 calc R . .
C301 C 0.35786(18) 0.8280(3) -0.24464(15) 0.0369(15) Uani 1 1 d . . .
C302 C 0.3967(2) 0.8220(3) -0.24394(15) 0.0391(16) Uani 1 1 d . . .
C303 C 0.42991(18) 0.8215(3) -0.21271(18) 0.0399(16) Uani 1 1 d . . .
C304 C 0.4240(2) 0.8279(3) -0.18289(16) 0.0427(17) Uani 1 1 d . . .
C305 C 0.3849(2) 0.8340(3) -0.18401(16) 0.0403(16) Uani 1 1 d . . .
C306 C 0.35173(19) 0.8316(3) -0.21474(17) 0.0379(15) Uani 1 1 d . . .
C311 C 0.3227(2) 0.8388(3) -0.27776(17) 0.062(2) Uani 1 1 d . . .
H73 H 0.3019 0.8698 -0.2740 0.075 Uiso 1 1 calc R . .
H74 H 0.3321 0.8678 -0.2929 0.075 Uiso 1 1 calc R . .
C312 C 0.3109(2) 0.6951(3) -0.28444(16) 0.0458(17) Uani 1 1 d . . .
H75 H 0.3310 0.6802 -0.2632 0.055 Uiso 1 1 calc R . .
C313 C 0.26274(19) 0.6921(4) -0.33361(16) 0.0457(17) Uani 1 1 d . . .
H76 H 0.2422 0.6734 -0.3538 0.055 Uiso 1 1 calc R . .
C314 C 0.27237(19) 0.7661(3) -0.32649(15) 0.0426(16) Uani 1 1 d . . .
H77 H 0.2601 0.8085 -0.3404 0.051 Uiso 1 1 calc R . .
C321 C 0.4021(2) 0.8161(4) -0.27701(18) 0.072(2) Uani 1 1 d . . .
H78 H 0.3762 0.8016 -0.2951 0.086 Uiso 1 1 calc R . .
H79 H 0.4227 0.7777 -0.2749 0.086 Uiso 1 1 calc R . .
H80 H 0.4108 0.8653 -0.2824 0.086 Uiso 1 1 calc R . .
C331 C 0.4728(2) 0.8209(4) -0.2117(2) 0.068(2) Uani 1 1 d . . .
H81 H 0.4719 0.8389 -0.2337 0.081 Uiso 1 1 calc R . .
H82 H 0.4898 0.8569 -0.1942 0.081 Uiso 1 1 calc R . .
C332 C 0.4759(2) 0.6779(4) -0.21667(18) 0.056(2) Uani 1 1 d . . .
H83 H 0.4480 0.6703 -0.2308 0.067 Uiso 1 1 calc R . .
C333 C 0.5390(2) 0.6583(4) -0.18741(17) 0.0553(19) Uani 1 1 d . . .
H84 H 0.5644 0.6332 -0.1767 0.066 Uiso 1 1 calc R . .
C334 C 0.53274(19) 0.7332(4) -0.18600(17) 0.0541(19) Uani 1 1 d . . .
H85 H 0.5525 0.7704 -0.1744 0.065 Uiso 1 1 calc R . .
C341 C 0.4598(2) 0.8281(4) -0.14929(18) 0.077(2) Uani 1 1 d . . .
H86 H 0.4522 0.8036 -0.1323 0.093 Uiso 1 1 calc R . .
H87 H 0.4682 0.8805 -0.1424 0.093 Uiso 1 1 calc R . .
H88 H 0.4824 0.8002 -0.1513 0.093 Uiso 1 1 calc R . .
C351 C 0.3789(3) 0.8482(3) -0.15226(18) 0.069(2) Uani 1 1 d . . .
H89 H 0.4023 0.8780 -0.1367 0.083 Uiso 1 1 calc R . .
H90 H 0.3541 0.8793 -0.1577 0.083 Uiso 1 1 calc R . .
C352 C 0.3763(2) 0.7074(3) -0.14479(17) 0.0542(19) Uani 1 1 d . . .
H91 H 0.3801 0.6943 -0.1647 0.065 Uiso 1 1 calc R . .
C353 C 0.3657(2) 0.7008(4) -0.09983(18) 0.064(2) Uani 1 1 d . . .
H92 H 0.3611 0.6810 -0.0812 0.077 Uiso 1 1 calc R . .
C354 C 0.3675(2) 0.7753(4) -0.10633(17) 0.061(2) Uani 1 1 d . . .
H93 H 0.3641 0.8170 -0.0937 0.074 Uiso 1 1 calc R . .
C361 C 0.30872(19) 0.8313(4) -0.2161(2) 0.068(2) Uani 1 1 d . . .
H94 H 0.2992 0.8836 -0.2169 0.081 Uiso 1 1 calc R . .
H95 H 0.3085 0.8059 -0.1960 0.081 Uiso 1 1 calc R . .
H96 H 0.2907 0.8041 -0.2364 0.081 Uiso 1 1 calc R . .
C401 C 0.5107(2) 0.5206(4) -0.12293(16) 0.0547(18) Uani 1 1 d . . .
C402 C 0.4934(2) 0.5895(5) -0.1292(2) 0.072(2) Uani 1 1 d . . .
H97 H 0.5077 0.6331 -0.1175 0.087 Uiso 1 1 calc R . .
C403 C 0.4520(3) 0.5955(4) -0.15472(19) 0.070(2) Uani 1 1 d . . .
H98 H 0.4387 0.6433 -0.1602 0.084 Uiso 1 1 calc R . .
C404 C 0.4329(2) 0.5325(4) -0.17028(17) 0.0546(19) Uani 1 1 d . . .
C405 C 0.4494(2) 0.4624(4) -0.16523(18) 0.0543(18) Uani 1 1 d . . .
H99 H 0.4350 0.4198 -0.1778 0.065 Uiso 1 1 calc R . .
C406 C 0.4919(2) 0.4557(4) -0.13854(19) 0.064(2) Uani 1 1 d . . .
H100 H 0.5052 0.4079 -0.1328 0.077 Uiso 1 1 calc R . .
C407 C 0.5561(2) 0.5117(5) -0.0956(2) 0.069(2) Uani 1 1 d . . .
C408 C 0.3888(3) 0.5404(6) -0.1981(2) 0.076(2) Uani 1 1 d . . .
C501 C 0.8543(2) 0.4707(3) 0.25643(17) 0.0526(19) Uani 1 1 d . . .
C502 C 0.8159(2) 0.4646(3) 0.25564(18) 0.0535(18) Uani 1 1 d . . .
H101 H 0.7935 0.4631 0.2343 0.064 Uiso 1 1 calc R . .
C503 C 0.8084(2) 0.4604(3) 0.28508(15) 0.0502(18) Uani 1 1 d . . .
H102 H 0.7814 0.4547 0.2837 0.060 Uiso 1 1 calc R . .
C504 C 0.84109(19) 0.4648(3) 0.31646(16) 0.0400(15) Uani 1 1 d . . .
C505 C 0.8793(2) 0.4730(3) 0.31640(17) 0.0463(16) Uani 1 1 d . . .
H103 H 0.9014 0.4775 0.3378 0.056 Uiso 1 1 calc R . .
C506 C 0.8883(2) 0.4751(3) 0.28856(15) 0.0437(16) Uani 1 1 d . . .
H104 H 0.9154 0.4793 0.2903 0.052 Uiso 1 1 calc R . .
C507 C 0.8615(3) 0.4738(3) 0.22497(19) 0.058(2) Uani 1 1 d . . .
C508 C 0.8334(2) 0.4636(3) 0.34864(17) 0.0464(16) Uani 1 1 d . . .
C601 C 0.82552(16) 0.4941(3) 0.04761(14) 0.0294(13) Uani 1 1 d . . .
C602 C 0.82119(17) 0.5051(3) 0.01473(15) 0.0341(14) Uani 1 1 d . . .
H105 H 0.7948 0.5100 -0.0027 0.041 Uiso 1 1 calc R . .
C603 C 0.85518(17) 0.5089(3) 0.00699(14) 0.0363(14) Uani 1 1 d . . .
H106 H 0.8520 0.5176 -0.0156 0.044 Uiso 1 1 calc R . .
C604 C 0.89410(17) 0.4999(3) 0.03238(15) 0.0325(13) Uani 1 1 d . . .
C605 C 0.89763(17) 0.4897(3) 0.06499(15) 0.0365(14) Uani 1 1 d . . .
H107 H 0.9239 0.4847 0.0826 0.044 Uiso 1 1 calc R . .
C606 C 0.86374(16) 0.4864(3) 0.07275(14) 0.0292(13) Uani 1 1 d . . .
H108 H 0.8669 0.4788 0.0955 0.035 Uiso 1 1 calc R . .
C607 C 0.78812(19) 0.4892(3) 0.05562(16) 0.0351(14) Uani 1 1 d . . .
C608 C 0.9316(2) 0.5037(3) 0.02361(18) 0.0406(15) 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'
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'
Ag Ag -0.8971 1.1015 '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
_geom_angle_publ_flag
N12 Ag1 N112 173.09(18) . . ?
N12 Ag1 O9 95.85(16) . . ?
N112 Ag1 O9 90.13(15) . . ?
N152 Ag2 N52 171.2(2) . . ?
N132 Ag3 N32 168.1(2) . . ?
N212 Ag4 N312 171.76(19) . . ?
N332 Ag5 N232 171.1(2) . . ?
N332 Ag5 Ag5 94.11(15) . 2_654 ?
N232 Ag5 Ag5 89.57(13) . 2_654 ?
N252 Ag6 N352 172.4(2) . . ?
C607 O9 Ag1 102.4(4) . . ?
H109 O13 H110 89.4 . . ?
H111 O14 H112 99.5 . . ?
H113 O15 H114 90.1 . . ?
H115 O16 H116 108.6 . . ?
H117 O17 H118 103.2 . . ?
H119 O18 H120 121.7 . . ?
H121 O19 H122 109.2 . . ?
H123 O21 H124 96.8 . . ?
H125 O24 H126 115.2 . . ?
H127 O26 H128 102.8 . . ?
H129 O27 H130 113.5 . . ?
H131 O28 H132 91.3 . . ?
H133 O29 H134 107.6 . . ?
H135 O34 H136 96.9 . . ?
C12 N11 C14 107.0(5) . . ?
C12 N11 C11 130.1(6) . . ?
C14 N11 C11 122.8(5) . . ?
C12 N12 C13 103.8(5) . . ?
C12 N12 Ag1 130.6(4) . . ?
C13 N12 Ag1 123.2(5) . . ?
C32 N31 C34 107.3(5) . . ?
C32 N31 C31 126.8(6) . . ?
C34 N31 C31 125.9(5) . . ?
C32 N32 C33 106.4(5) . . ?
C32 N32 Ag3 126.9(5) . . ?
C33 N32 Ag3 125.5(4) . . ?
C52 N51 C54 105.9(6) . . ?
C52 N51 C51 128.6(6) . . ?
C54 N51 C51 125.4(5) . . ?
C52 N52 C53 106.0(6) . . ?
C52 N52 Ag2 129.3(5) . . ?
C53 N52 Ag2 124.7(5) . . ?
C112 N111 C114 105.8(5) . . ?
C112 N111 C111 129.2(5) . . ?
C114 N111 C111 125.0(5) . . ?
C112 N112 C113 104.4(5) . . ?
C112 N112 Ag1 130.2(4) . . ?
C113 N112 Ag1 124.1(4) . . ?
C132 N131 C134 107.5(5) . . ?
C132 N131 C131 128.2(5) . . ?
C134 N131 C131 124.3(5) . . ?
C132 N132 C133 106.5(5) . . ?
C132 N132 Ag3 127.7(4) . . ?
C133 N132 Ag3 124.9(4) . . ?
C152 N151 C154 104.3(6) . . ?
C152 N151 C151 131.7(6) . . ?
C154 N151 C151 124.0(6) . . ?
C152 N152 C153 103.6(6) . . ?
C152 N152 Ag2 131.9(5) . . ?
C153 N152 Ag2 123.5(5) . . ?
C212 N211 C214 105.7(5) . . ?
C212 N211 C211 129.0(6) . . ?
C214 N211 C211 125.2(5) . . ?
C212 N212 C213 105.5(5) . . ?
C212 N212 Ag4 127.4(5) . . ?
C213 N212 Ag4 127.0(4) . . ?
C232 N231 C234 107.3(5) . . ?
C232 N231 C231 126.9(5) . . ?
C234 N231 C231 125.7(5) . . ?
C232 N232 C233 107.0(5) . . ?
C232 N232 Ag5 125.0(4) . . ?
C233 N232 Ag5 127.9(5) . . ?
C252 N251 C254 106.6(5) . . ?
C252 N251 C251 129.7(5) . . ?
C254 N251 C251 123.6(5) . . ?
C252 N252 C253 106.2(5) . . ?
C252 N252 Ag6 132.1(4) . . ?
C253 N252 Ag6 121.7(4) . . ?
C312 N311 C314 107.5(5) . . ?
C312 N311 C311 129.5(5) . . ?
C314 N311 C311 123.0(5) . . ?
C312 N312 C313 106.5(5) . . ?
C312 N312 Ag4 133.0(4) . . ?
C313 N312 Ag4 120.4(4) . . ?
C332 N331 C334 107.1(5) . . ?
C332 N331 C331 128.5(6) . . ?
C334 N331 C331 124.1(5) . . ?
C332 N332 C333 106.3(5) . . ?
C332 N332 Ag5 130.1(5) . . ?
C333 N332 Ag5 123.3(4) . . ?
C352 N351 C354 108.1(5) . . ?
C352 N351 C351 126.1(6) . . ?
C354 N351 C351 125.7(5) . . ?
C352 N352 C353 104.8(6) . . ?
C352 N352 Ag6 125.4(5) . . ?
C353 N352 Ag6 129.5(5) . . ?
C2 C1 C6 120.4(6) . . ?
C2 C1 C11 121.4(6) . . ?
C6 C1 C11 118.0(7) . . ?
C1 C2 C3 119.6(6) . . ?
C1 C2 C21 120.2(6) . . ?
C3 C2 C21 120.2(6) . . ?
C4 C3 C2 120.1(6) . . ?
C4 C3 C31 121.1(6) . . ?
C2 C3 C31 118.8(6) . . ?
C3 C4 C5 120.9(6) . . ?
C3 C4 C41 120.4(6) . . ?
C5 C4 C41 118.7(6) . . ?
C4 C5 C6 118.9(6) . . ?
C4 C5 C51 120.9(6) . . ?
C6 C5 C51 120.0(6) . . ?
C1 C6 C5 120.0(6) . . ?
C1 C6 C61 121.5(6) . . ?
C5 C6 C61 118.5(7) . . ?
N11 C11 C1 112.9(5) . . ?
N11 C11 H1 109.0 . . ?
C1 C11 H1 109.0 . . ?
N11 C11 H2 109.0 . . ?
C1 C11 H2 109.0 . . ?
H1 C11 H2 107.8 . . ?
N12 C12 N11 112.7(6) . . ?
N12 C12 H3 123.6 . . ?
N11 C12 H3 123.6 . . ?
C14 C13 N12 110.5(7) . . ?
C14 C13 H4 124.8 . . ?
N12 C13 H4 124.8 . . ?
C13 C14 N11 105.9(6) . . ?
C13 C14 H5 127.1 . . ?
N11 C14 H5 127.1 . . ?
C2 C21 H6 109.5 . . ?
C2 C21 H7 109.5 . . ?
H6 C21 H7 109.5 . . ?
C2 C21 H8 109.5 . . ?
H6 C21 H8 109.5 . . ?
H7 C21 H8 109.5 . . ?
N31 C31 C3 113.8(5) . . ?
N31 C31 H9 108.8 . . ?
C3 C31 H9 108.8 . . ?
N31 C31 H10 108.8 . . ?
C3 C31 H10 108.8 . . ?
H9 C31 H10 107.7 . . ?
N32 C32 N31 110.6(6) . . ?
N32 C32 H11 124.7 . . ?
N31 C32 H11 124.7 . . ?
N32 C33 C34 108.7(6) . . ?
N32 C33 H12 125.6 . . ?
C34 C33 H12 125.6 . . ?
N31 C34 C33 106.9(6) . . ?
N31 C34 H13 126.5 . . ?
C33 C34 H13 126.5 . . ?
C4 C41 H14 109.5 . . ?
C4 C41 H15 109.5 . . ?
H14 C41 H15 109.5 . . ?
C4 C41 H16 109.5 . . ?
H14 C41 H16 109.5 . . ?
H15 C41 H16 109.5 . . ?
N51 C51 C5 114.4(5) . . ?
N51 C51 H17 108.7 . . ?
C5 C51 H17 108.7 . . ?
N51 C51 H18 108.7 . . ?
C5 C51 H18 108.7 . . ?
H17 C51 H18 107.6 . . ?
N52 C52 N51 111.4(6) . . ?
N52 C52 H19 124.3 . . ?
N51 C52 H19 124.3 . . ?
C54 C53 N52 108.4(7) . . ?
C54 C53 H20 125.8 . . ?
N52 C53 H20 125.8 . . ?
C53 C54 N51 108.2(6) . . ?
C53 C54 H21 125.9 . . ?
N51 C54 H21 125.9 . . ?
C6 C61 H22 109.5 . . ?
C6 C61 H23 109.5 . . ?
H22 C61 H23 109.5 . . ?
C6 C61 H24 109.5 . . ?
H22 C61 H24 109.5 . . ?
H23 C61 H24 109.5 . . ?
C102 C101 C106 121.2(6) . . ?
C102 C101 C111 119.9(6) . . ?
C106 C101 C111 118.7(6) . . ?
C103 C102 C101 119.1(6) . . ?
C103 C102 C121 120.6(6) . . ?
C101 C102 C121 120.3(6) . . ?
C104 C103 C102 120.9(5) . . ?
C104 C103 C131 120.3(6) . . ?
C102 C103 C131 118.5(6) . . ?
C103 C104 C105 120.1(5) . . ?
C103 C104 C141 120.8(6) . . ?
C105 C104 C141 119.1(6) . . ?
C104 C105 C106 120.1(6) . . ?
C104 C105 C151 120.3(6) . . ?
C106 C105 C151 119.5(6) . . ?
C101 C106 C105 118.5(6) . . ?
C101 C106 C161 121.2(6) . . ?
C105 C106 C161 120.3(6) . . ?
N111 C111 C101 113.4(5) . . ?
N111 C111 H25 108.9 . . ?
C101 C111 H25 108.9 . . ?
N111 C111 H26 108.9 . . ?
C101 C111 H26 108.9 . . ?
H25 C111 H26 107.7 . . ?
N112 C112 N111 112.6(6) . . ?
N112 C112 H27 123.7 . . ?
N111 C112 H27 123.7 . . ?
C114 C113 N112 110.2(6) . . ?
C114 C113 H28 124.9 . . ?
N112 C113 H28 124.9 . . ?
C113 C114 N111 107.0(5) . . ?
C113 C114 H29 126.5 . . ?
N111 C114 H29 126.5 . . ?
C102 C121 H30 109.5 . . ?
C102 C121 H31 109.5 . . ?
H30 C121 H31 109.5 . . ?
C102 C121 H32 109.5 . . ?
H30 C121 H32 109.5 . . ?
H31 C121 H32 109.5 . . ?
N131 C131 C103 114.1(4) . . ?
N131 C131 H33 108.7 . . ?
C103 C131 H33 108.7 . . ?
N131 C131 H34 108.7 . . ?
C103 C131 H34 108.7 . . ?
H33 C131 H34 107.6 . . ?
N132 C132 N131 110.5(5) . . ?
N132 C132 H35 124.7 . . ?
N131 C132 H35 124.7 . . ?
C134 C133 N132 108.5(5) . . ?
C134 C133 H36 125.8 . . ?
N132 C133 H36 125.8 . . ?
C133 C134 N131 106.9(5) . . ?
C133 C134 H37 126.5 . . ?
N131 C134 H37 126.5 . . ?
C104 C141 H38 109.5 . . ?
C104 C141 H39 109.5 . . ?
H38 C141 H39 109.5 . . ?
C104 C141 H40 109.5 . . ?
H38 C141 H40 109.5 . . ?
H39 C141 H40 109.5 . . ?
N151 C151 C105 112.9(5) . . ?
N151 C151 H41 109.0 . . ?
C105 C151 H41 109.0 . . ?
N151 C151 H42 109.0 . . ?
C105 C151 H42 109.0 . . ?
H41 C151 H42 107.8 . . ?
N152 C152 N151 115.8(6) . . ?
N152 C152 H43 122.1 . . ?
N151 C152 H43 122.1 . . ?
N152 C153 C154 110.4(7) . . ?
N152 C153 H44 124.8 . . ?
C154 C153 H44 124.8 . . ?
C153 C154 N151 105.8(7) . . ?
C153 C154 H45 127.1 . . ?
N151 C154 H45 127.1 . . ?
C106 C161 H46 109.5 . . ?
C106 C161 H47 109.5 . . ?
H46 C161 H47 109.5 . . ?
C106 C161 H48 109.5 . . ?
H46 C161 H48 109.5 . . ?
H47 C161 H48 109.5 . . ?
C202 C201 C206 122.6(6) . . ?
C202 C201 C211 118.5(6) . . ?
C206 C201 C211 118.6(6) . . ?
C203 C202 C201 118.0(6) . . ?
C203 C202 C221 122.1(6) . . ?
C201 C202 C221 119.8(6) . . ?
C202 C203 C204 121.5(6) . . ?
C202 C203 C231 119.3(6) . . ?
C204 C203 C231 118.9(6) . . ?
C203 C204 C205 118.9(6) . . ?
C203 C204 C241 121.2(6) . . ?
C205 C204 C241 120.0(6) . . ?
C206 C205 C204 120.8(6) . . ?
C206 C205 C251 119.3(6) . . ?
C204 C205 C251 119.6(6) . . ?
C205 C206 C201 118.2(6) . . ?
C205 C206 C261 120.2(6) . . ?
C201 C206 C261 121.7(6) . . ?
N211 C211 C201 113.0(5) . . ?
N211 C211 H49 109.0 . . ?
C201 C211 H49 109.0 . . ?
N211 C211 H50 109.0 . . ?
C201 C211 H50 109.0 . . ?
H49 C211 H50 107.8 . . ?
N212 C212 N211 112.9(6) . . ?
N212 C212 H51 123.5 . . ?
N211 C212 H51 123.5 . . ?
C214 C213 N212 108.6(6) . . ?
C214 C213 H52 125.7 . . ?
N212 C213 H52 125.7 . . ?
C213 C214 N211 107.3(6) . . ?
C213 C214 H53 126.4 . . ?
N211 C214 H53 126.4 . . ?
C202 C221 H54 109.5 . . ?
C202 C221 H55 109.5 . . ?
H54 C221 H55 109.5 . . ?
C202 C221 H56 109.5 . . ?
H54 C221 H56 109.5 . . ?
H55 C221 H56 109.5 . . ?
N231 C231 C203 113.3(5) . . ?
N231 C231 H57 108.9 . . ?
C203 C231 H57 108.9 . . ?
N231 C231 H58 108.9 . . ?
C203 C231 H58 108.9 . . ?
H57 C231 H58 107.7 . . ?
N232 C232 N231 110.5(6) . . ?
N232 C232 H59 124.7 . . ?
N231 C232 H59 124.7 . . ?
C234 C233 N232 107.7(6) . . ?
C234 C233 H60 126.2 . . ?
N232 C233 H60 126.2 . . ?
C233 C234 N231 107.4(6) . . ?
C233 C234 H61 126.3 . . ?
N231 C234 H61 126.3 . . ?
C204 C241 H62 109.5 . . ?
C204 C241 H63 109.5 . . ?
H62 C241 H63 109.5 . . ?
C204 C241 H64 109.5 . . ?
H62 C241 H64 109.5 . . ?
H63 C241 H64 109.5 . . ?
N251 C251 C205 114.4(5) . . ?
N251 C251 H65 108.7 . . ?
C205 C251 H65 108.7 . . ?
N251 C251 H66 108.7 . . ?
C205 C251 H66 108.7 . . ?
H65 C251 H66 107.6 . . ?
N252 C252 N251 111.4(6) . . ?
N252 C252 H67 124.3 . . ?
N251 C252 H67 124.3 . . ?
N252 C253 C254 108.9(6) . . ?
N252 C253 H68 125.5 . . ?
C254 C253 H68 125.5 . . ?
N251 C254 C253 106.9(6) . . ?
N251 C254 H69 126.6 . . ?
C253 C254 H69 126.6 . . ?
C206 C261 H70 109.5 . . ?
C206 C261 H71 109.5 . . ?
H70 C261 H71 109.5 . . ?
C206 C261 H72 109.5 . . ?
H70 C261 H72 109.5 . . ?
H71 C261 H72 109.5 . . ?
C302 C301 C306 120.8(5) . . ?
C302 C301 C311 119.2(6) . . ?
C306 C301 C311 119.7(6) . . ?
C301 C302 C303 119.0(6) . . ?
C301 C302 C321 119.3(6) . . ?
C303 C302 C321 121.8(6) . . ?
C304 C303 C302 120.3(6) . . ?
C304 C303 C331 120.1(6) . . ?
C302 C303 C331 119.3(6) . . ?
C305 C304 C303 120.0(6) . . ?
C305 C304 C341 119.7(7) . . ?
C303 C304 C341 120.3(7) . . ?
C306 C305 C304 120.0(6) . . ?
C306 C305 C351 120.3(7) . . ?
C304 C305 C351 119.6(6) . . ?
C305 C306 C301 119.8(6) . . ?
C305 C306 C361 120.5(6) . . ?
C301 C306 C361 119.7(6) . . ?
N311 C311 C301 114.9(5) . . ?
N311 C311 H73 108.5 . . ?
C301 C311 H73 108.5 . . ?
N311 C311 H74 108.5 . . ?
C301 C311 H74 108.5 . . ?
H73 C311 H74 107.5 . . ?
N312 C312 N311 110.9(6) . . ?
N312 C312 H75 124.6 . . ?
N311 C312 H75 124.6 . . ?
C314 C313 N312 109.3(6) . . ?
C314 C313 H76 125.3 . . ?
N312 C313 H76 125.3 . . ?
C313 C314 N311 105.8(5) . . ?
C313 C314 H77 127.1 . . ?
N311 C314 H77 127.1 . . ?
C302 C321 H78 109.5 . . ?
C302 C321 H79 109.5 . . ?
H78 C321 H79 109.5 . . ?
C302 C321 H80 109.5 . . ?
H78 C321 H80 109.5 . . ?
H79 C321 H80 109.5 . . ?
N331 C331 C303 113.3(5) . . ?
N331 C331 H81 108.9 . . ?
C303 C331 H81 108.9 . . ?
N331 C331 H82 108.9 . . ?
C303 C331 H82 108.9 . . ?
H81 C331 H82 107.7 . . ?
N332 C332 N331 111.3(6) . . ?
N332 C332 H83 124.3 . . ?
N331 C332 H83 124.3 . . ?
C334 C333 N332 109.0(6) . . ?
C334 C333 H84 125.5 . . ?
N332 C333 H84 125.5 . . ?
C333 C334 N331 106.3(6) . . ?
C333 C334 H85 126.8 . . ?
N331 C334 H85 126.8 . . ?
C304 C341 H86 109.5 . . ?
C304 C341 H87 109.5 . . ?
H86 C341 H87 109.5 . . ?
C304 C341 H88 109.5 . . ?
H86 C341 H88 109.5 . . ?
H87 C341 H88 109.5 . . ?
N351 C351 C305 114.0(5) . . ?
N351 C351 H89 108.8 . . ?
C305 C351 H89 108.8 . . ?
N351 C351 H90 108.8 . . ?
C305 C351 H90 108.8 . . ?
H89 C351 H90 107.7 . . ?
N352 C352 N351 111.4(6) . . ?
N352 C352 H91 124.3 . . ?
N351 C352 H91 124.3 . . ?
C354 C353 N352 110.3(6) . . ?
C354 C353 H92 124.9 . . ?
N352 C353 H92 124.9 . . ?
C353 C354 N351 105.3(6) . . ?
C353 C354 H93 127.4 . . ?
N351 C354 H93 127.4 . . ?
C306 C361 H94 109.5 . . ?
C306 C361 H95 109.5 . . ?
H94 C361 H95 109.5 . . ?
C306 C361 H96 109.5 . . ?
H94 C361 H96 109.5 . . ?
H95 C361 H96 109.5 . . ?
C402 C401 C406 124.4(7) . . ?
C402 C401 C407 119.5(7) . . ?
C406 C401 C407 116.1(7) . . ?
C401 C402 C403 117.8(7) . . ?
C401 C402 H97 121.1 . . ?
C403 C402 H97 121.1 . . ?
C404 C403 C402 118.8(7) . . ?
C404 C403 H98 120.6 . . ?
C402 C403 H98 120.6 . . ?
C403 C404 C405 125.2(7) . . ?
C403 C404 C408 117.9(8) . . ?
C405 C404 C408 116.8(7) . . ?
C404 C405 C406 116.2(6) . . ?
C404 C405 H99 121.9 . . ?
C406 C405 H99 121.9 . . ?
C401 C406 C405 117.5(7) . . ?
C401 C406 H100 121.3 . . ?
C405 C406 H100 121.3 . . ?
O2 C407 O1 131.5(9) . . ?
O2 C407 C401 116.6(7) . . ?
O1 C407 C401 111.9(7) . . ?
O3 C408 O4 123.9(8) . . ?
O3 C408 C404 119.9(8) . . ?
O4 C408 C404 116.1(8) . . ?
C502 C501 C506 119.1(6) . . ?
C502 C501 C507 121.4(7) . . ?
C506 C501 C507 119.5(7) . . ?
C501 C502 C503 122.4(7) . . ?
C501 C502 H101 118.8 . . ?
C503 C502 H101 118.8 . . ?
C504 C503 C502 119.1(7) . . ?
C504 C503 H102 120.4 . . ?
C502 C503 H102 120.4 . . ?
C505 C504 C503 117.0(6) . . ?
C505 C504 C508 123.0(6) . . ?
C503 C504 C508 119.9(6) . . ?
C506 C505 C504 126.1(6) . . ?
C506 C505 H103 116.9 . . ?
C504 C505 H103 116.9 . . ?
C505 C506 C501 116.2(6) . . ?
C505 C506 H104 121.9 . . ?
C501 C506 H104 121.9 . . ?
O6 C507 O5 122.3(7) . . ?
O6 C507 C501 119.8(7) . . ?
O5 C507 C501 117.8(8) . . ?
O7 C508 O8 123.7(6) . . ?
O7 C508 C504 119.5(6) . . ?
O8 C508 C504 116.8(6) . . ?
C606 C601 C602 119.6(5) . . ?
C606 C601 C607 120.6(5) . . ?
C602 C601 C607 119.8(5) . . ?
C601 C602 C603 120.4(5) . . ?
C601 C602 H105 119.8 . . ?
C603 C602 H105 119.8 . . ?
C602 C603 C604 120.3(5) . . ?
C602 C603 H106 119.9 . . ?
C604 C603 H106 119.9 . . ?
C605 C604 C603 118.2(5) . . ?
C605 C604 C608 121.8(5) . . ?
C603 C604 C608 120.0(5) . . ?
C604 C605 C606 121.5(5) . . ?
C604 C605 H107 119.2 . . ?
C606 C605 H107 119.2 . . ?
C601 C606 C605 120.0(5) . . ?
C601 C606 H108 120.0 . . ?
C605 C606 H108 120.0 . . ?
O10 C607 O9 124.6(6) . . ?
O10 C607 C601 119.0(5) . . ?
O9 C607 C601 116.4(5) . . ?
O12 C608 O11 125.2(6) . . ?
O12 C608 C604 117.8(6) . . ?
O11 C608 C604 117.0(6) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N12 2.147(5) . ?
Ag1 N112 2.152(5) . ?
Ag1 O9 2.504(4) . ?
Ag2 N152 2.077(5) . ?
Ag2 N52 2.089(6) . ?
Ag3 N132 2.099(5) . ?
Ag3 N32 2.112(5) . ?
Ag4 N212 2.104(5) . ?
Ag4 N312 2.106(5) . ?
Ag5 N332 2.104(5) . ?
Ag5 N232 2.111(5) . ?
Ag5 Ag5 3.3270(11) 2_654 ?
Ag6 N252 2.101(5) . ?
Ag6 N352 2.105(5) . ?
O1 C407 1.246(9) . ?
O2 C407 1.202(9) . ?
O3 C408 1.279(9) . ?
O4 C408 1.314(9) . ?
O5 C507 1.285(8) . ?
O6 C507 1.270(8) . ?
O7 C508 1.223(7) . ?
O8 C508 1.267(7) . ?
O9 C607 1.267(7) . ?
O10 C607 1.261(6) . ?
O11 C608 1.246(7) . ?
O12 C608 1.239(7) . ?
O13 H109 0.8187 . ?
O13 H110 0.8229 . ?
O14 H111 0.8157 . ?
O14 H112 0.8392 . ?
O15 H113 0.8218 . ?
O15 H114 0.8671 . ?
O16 H115 0.8210 . ?
O16 H116 0.7912 . ?
O17 H117 0.8124 . ?
O17 H118 0.7964 . ?
O18 H119 0.8137 . ?
O18 H120 0.7915 . ?
O19 H121 0.8232 . ?
O19 H122 0.8081 . ?
O21 H123 0.8524 . ?
O21 H124 0.8373 . ?
O24 H125 0.8688 . ?
O24 H126 0.8964 . ?
O26 H127 0.8444 . ?
O26 H128 0.8402 . ?
O27 H129 0.7804 . ?
O27 H130 0.8240 . ?
O28 H131 0.9071 . ?
O28 H132 0.8787 . ?
O29 H133 0.8420 . ?
O29 H134 0.9148 . ?
O34 H135 0.8839 . ?
O34 H136 0.8363 . ?
N11 C12 1.327(7) . ?
N11 C14 1.350(8) . ?
N11 C11 1.479(7) . ?
N12 C12 1.306(7) . ?
N12 C13 1.370(8) . ?
N31 C32 1.330(7) . ?
N31 C34 1.349(7) . ?
N31 C31 1.464(7) . ?
N32 C32 1.329(7) . ?
N32 C33 1.343(7) . ?
N51 C52 1.338(8) . ?
N51 C54 1.348(8) . ?
N51 C51 1.462(7) . ?
N52 C52 1.303(8) . ?
N52 C53 1.366(9) . ?
N111 C112 1.345(7) . ?
N111 C114 1.354(7) . ?
N111 C111 1.471(7) . ?
N112 C112 1.314(7) . ?
N112 C113 1.362(7) . ?
N131 C132 1.337(7) . ?
N131 C134 1.358(7) . ?
N131 C131 1.481(7) . ?
N132 C132 1.321(7) . ?
N132 C133 1.369(7) . ?
N151 C152 1.294(8) . ?
N151 C154 1.371(9) . ?
N151 C151 1.462(7) . ?
N152 C152 1.279(8) . ?
N152 C153 1.335(9) . ?
N211 C212 1.338(7) . ?
N211 C214 1.370(8) . ?
N211 C211 1.460(7) . ?
N212 C212 1.301(7) . ?
N212 C213 1.380(8) . ?
N231 C232 1.333(7) . ?
N231 C234 1.357(7) . ?
N231 C231 1.489(7) . ?
N232 C232 1.312(7) . ?
N232 C233 1.371(8) . ?
N251 C252 1.334(7) . ?
N251 C254 1.356(7) . ?
N251 C251 1.479(7) . ?
N252 C252 1.321(7) . ?
N252 C253 1.348(7) . ?
N311 C312 1.345(7) . ?
N311 C314 1.364(7) . ?
N311 C311 1.492(7) . ?
N312 C312 1.300(7) . ?
N312 C313 1.369(7) . ?
N331 C332 1.331(7) . ?
N331 C334 1.366(7) . ?
N331 C331 1.485(8) . ?
N332 C332 1.302(7) . ?
N332 C333 1.368(8) . ?
N351 C352 1.326(7) . ?
N351 C354 1.355(7) . ?
N351 C351 1.490(7) . ?
N352 C352 1.315(8) . ?
N352 C353 1.366(8) . ?
C1 C2 1.388(8) . ?
C1 C6 1.393(9) . ?
C1 C11 1.514(8) . ?
C2 C3 1.388(8) . ?
C2 C21 1.516(8) . ?
C3 C4 1.385(8) . ?
C3 C31 1.501(8) . ?
C4 C5 1.387(8) . ?
C4 C41 1.510(8) . ?
C5 C6 1.401(8) . ?
C5 C51 1.504(8) . ?
C6 C61 1.535(8) . ?
C11 H1 0.9900 . ?
C11 H2 0.9900 . ?
C12 H3 0.9500 . ?
C13 C14 1.344(9) . ?
C13 H4 0.9500 . ?
C14 H5 0.9500 . ?
C21 H6 0.9800 . ?
C21 H7 0.9800 . ?
C21 H8 0.9800 . ?
C31 H9 0.9900 . ?
C31 H10 0.9900 . ?
C32 H11 0.9500 . ?
C33 C34 1.361(8) . ?
C33 H12 0.9500 . ?
C34 H13 0.9500 . ?
C41 H14 0.9800 . ?
C41 H15 0.9800 . ?
C41 H16 0.9800 . ?
C51 H17 0.9900 . ?
C51 H18 0.9900 . ?
C52 H19 0.9500 . ?
C53 C54 1.328(9) . ?
C53 H20 0.9500 . ?
C54 H21 0.9500 . ?
C61 H22 0.9800 . ?
C61 H23 0.9800 . ?
C61 H24 0.9800 . ?
C101 C102 1.391(8) . ?
C101 C106 1.398(8) . ?
C101 C111 1.527(8) . ?
C102 C103 1.384(8) . ?
C102 C121 1.507(8) . ?
C103 C104 1.379(8) . ?
C103 C131 1.514(8) . ?
C104 C105 1.393(8) . ?
C104 C141 1.526(8) . ?
C105 C106 1.405(8) . ?
C105 C151 1.511(8) . ?
C106 C161 1.523(8) . ?
C111 H25 0.9900 . ?
C111 H26 0.9900 . ?
C112 H27 0.9500 . ?
C113 C114 1.345(8) . ?
C113 H28 0.9500 . ?
C114 H29 0.9500 . ?
C121 H30 0.9800 . ?
C121 H31 0.9800 . ?
C121 H32 0.9800 . ?
C131 H33 0.9900 . ?
C131 H34 0.9900 . ?
C132 H35 0.9500 . ?
C133 C134 1.355(8) . ?
C133 H36 0.9500 . ?
C134 H37 0.9500 . ?
C141 H38 0.9800 . ?
C141 H39 0.9800 . ?
C141 H40 0.9800 . ?
C151 H41 0.9900 . ?
C151 H42 0.9900 . ?
C152 H43 0.9500 . ?
C153 C154 1.341(10) . ?
C153 H44 0.9500 . ?
C154 H45 0.9500 . ?
C161 H46 0.9800 . ?
C161 H47 0.9800 . ?
C161 H48 0.9800 . ?
C201 C202 1.395(8) . ?
C201 C206 1.396(8) . ?
C201 C211 1.537(8) . ?
C202 C203 1.389(8) . ?
C202 C221 1.497(8) . ?
C203 C204 1.399(8) . ?
C203 C231 1.506(8) . ?
C204 C205 1.411(8) . ?
C204 C241 1.503(8) . ?
C205 C206 1.395(8) . ?
C205 C251 1.523(8) . ?
C206 C261 1.492(8) . ?
C211 H49 0.9900 . ?
C211 H50 0.9900 . ?
C212 H51 0.9500 . ?
C213 C214 1.353(8) . ?
C213 H52 0.9500 . ?
C214 H53 0.9500 . ?
C221 H54 0.9800 . ?
C221 H55 0.9800 . ?
C221 H56 0.9800 . ?
C231 H57 0.9900 . ?
C231 H58 0.9900 . ?
C232 H59 0.9500 . ?
C233 C234 1.352(8) . ?
C233 H60 0.9500 . ?
C234 H61 0.9500 . ?
C241 H62 0.9800 . ?
C241 H63 0.9800 . ?
C241 H64 0.9800 . ?
C251 H65 0.9900 . ?
C251 H66 0.9900 . ?
C252 H67 0.9500 . ?
C253 C254 1.361(8) . ?
C253 H68 0.9500 . ?
C254 H69 0.9500 . ?
C261 H70 0.9800 . ?
C261 H71 0.9800 . ?
C261 H72 0.9800 . ?
C301 C302 1.385(8) . ?
C301 C306 1.395(8) . ?
C301 C311 1.495(8) . ?
C302 C303 1.399(8) . ?
C302 C321 1.519(8) . ?
C303 C304 1.392(8) . ?
C303 C331 1.523(8) . ?
C304 C305 1.389(8) . ?
C304 C341 1.507(8) . ?
C305 C306 1.384(8) . ?
C305 C351 1.491(8) . ?
C306 C361 1.520(8) . ?
C311 H73 0.9900 . ?
C311 H74 0.9900 . ?
C312 H75 0.9500 . ?
C313 C314 1.353(8) . ?
C313 H76 0.9500 . ?
C314 H77 0.9500 . ?
C321 H78 0.9800 . ?
C321 H79 0.9800 . ?
C321 H80 0.9800 . ?
C331 H81 0.9900 . ?
C331 H82 0.9900 . ?
C332 H83 0.9500 . ?
C333 C334 1.345(8) . ?
C333 H84 0.9500 . ?
C334 H85 0.9500 . ?
C341 H86 0.9800 . ?
C341 H87 0.9800 . ?
C341 H88 0.9800 . ?
C351 H89 0.9900 . ?
C351 H90 0.9900 . ?
C352 H91 0.9500 . ?
C353 C354 1.351(9) . ?
C353 H92 0.9500 . ?
C354 H93 0.9500 . ?
C361 H94 0.9800 . ?
C361 H95 0.9800 . ?
C361 H96 0.9800 . ?
C401 C402 1.341(9) . ?
C401 C406 1.363(9) . ?
C401 C407 1.592(10) . ?
C402 C403 1.458(10) . ?
C402 H97 0.9500 . ?
C403 C404 1.337(9) . ?
C403 H98 0.9500 . ?
C404 C405 1.349(9) . ?
C404 C408 1.567(10) . ?
C405 C406 1.505(9) . ?
C405 H99 0.9500 . ?
C406 H100 0.9500 . ?
C501 C502 1.368(9) . ?
C501 C506 1.438(9) . ?
C501 C507 1.482(9) . ?
C502 C503 1.403(9) . ?
C502 H101 0.9500 . ?
C503 C504 1.396(8) . ?
C503 H102 0.9500 . ?
C504 C505 1.378(8) . ?
C504 C508 1.521(8) . ?
C505 C506 1.364(8) . ?
C505 H103 0.9500 . ?
C506 H104 0.9500 . ?
C601 C606 1.374(7) . ?
C601 C602 1.379(7) . ?
C601 C607 1.516(8) . ?
C602 C603 1.389(7) . ?
C602 H105 0.9500 . ?
C603 C604 1.398(8) . ?
C603 H106 0.9500 . ?
C604 C605 1.375(7) . ?
C604 C608 1.536(8) . ?
C605 C606 1.386(7) . ?
C605 H107 0.9500 . ?
C606 H108 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N12 Ag1 O9 C607 -93.1(3) . . . . ?
N112 Ag1 O9 C607 83.4(3) . . . . ?
N112 Ag1 N12 C12 138.2(15) . . . . ?
O9 Ag1 N12 C12 -71.9(6) . . . . ?
N112 Ag1 N12 C13 -62.3(19) . . . . ?
O9 Ag1 N12 C13 87.6(5) . . . . ?
N132 Ag3 N32 C32 -173.1(8) . . . . ?
N132 Ag3 N32 C33 20.7(14) . . . . ?
N152 Ag2 N52 C52 171.2(14) . . . . ?
N152 Ag2 N52 C53 -7(2) . . . . ?
N12 Ag1 N112 C112 -124.5(16) . . . . ?
O9 Ag1 N112 C112 85.5(5) . . . . ?
N12 Ag1 N112 C113 70.3(18) . . . . ?
O9 Ag1 N112 C113 -79.8(5) . . . . ?
N32 Ag3 N132 C132 -164.7(9) . . . . ?
N32 Ag3 N132 C133 3.1(13) . . . . ?
N52 Ag2 N152 C152 -173.4(14) . . . . ?
N52 Ag2 N152 C153 -7(2) . . . . ?
N312 Ag4 N212 C212 110.8(14) . . . . ?
N312 Ag4 N212 C213 -73.4(16) . . . . ?
N332 Ag5 N232 C232 149.1(12) . . . . ?
Ag5 Ag5 N232 C232 -96.5(5) 2_654 . . . ?
N332 Ag5 N232 C233 -26.6(15) . . . . ?
Ag5 Ag5 N232 C233 87.8(5) 2_654 . . . ?
N352 Ag6 N252 C252 177.2(15) . . . . ?
N352 Ag6 N252 C253 1(2) . . . . ?
N212 Ag4 N312 C312 -115.9(14) . . . . ?
N212 Ag4 N312 C313 70.2(16) . . . . ?
N232 Ag5 N332 C332 -157.8(11) . . . . ?
Ag5 Ag5 N332 C332 88.1(6) 2_654 . . . ?
N232 Ag5 N332 C333 15.7(16) . . . . ?
Ag5 Ag5 N332 C333 -98.4(5) 2_654 . . . ?
N252 Ag6 N352 C352 -164.9(15) . . . . ?
N252 Ag6 N352 C353 8(2) . . . . ?
C6 C1 C2 C3 -3.9(8) . . . . ?
C11 C1 C2 C3 170.1(5) . . . . ?
C6 C1 C2 C21 175.7(5) . . . . ?
C11 C1 C2 C21 -10.3(8) . . . . ?
C1 C2 C3 C4 4.7(8) . . . . ?
C21 C2 C3 C4 -174.9(5) . . . . ?
C1 C2 C3 C31 -172.9(5) . . . . ?
C21 C2 C3 C31 7.5(8) . . . . ?
C2 C3 C4 C5 -3.6(8) . . . . ?
C31 C3 C4 C5 173.9(5) . . . . ?
C2 C3 C4 C41 176.6(5) . . . . ?
C31 C3 C4 C41 -5.9(8) . . . . ?
C3 C4 C5 C6 1.7(8) . . . . ?
C41 C4 C5 C6 -178.5(5) . . . . ?
C3 C4 C5 C51 -174.0(5) . . . . ?
C41 C4 C5 C51 5.7(8) . . . . ?
C2 C1 C6 C5 2.1(8) . . . . ?
C11 C1 C6 C5 -172.2(5) . . . . ?
C2 C1 C6 C61 -176.2(5) . . . . ?
C11 C1 C6 C61 9.6(8) . . . . ?
C4 C5 C6 C1 -0.9(8) . . . . ?
C51 C5 C6 C1 174.9(5) . . . . ?
C4 C5 C6 C61 177.4(5) . . . . ?
C51 C5 C6 C61 -6.8(8) . . . . ?
C12 N11 C11 C1 -1.6(10) . . . . ?
C14 N11 C11 C1 -178.8(7) . . . . ?
C2 C1 C11 N11 96.5(7) . . . . ?
C6 C1 C11 N11 -89.3(7) . . . . ?
C13 N12 C12 N11 3.6(8) . . . . ?
Ag1 N12 C12 N11 166.0(4) . . . . ?
C14 N11 C12 N12 -2.8(8) . . . . ?
C11 N11 C12 N12 179.7(6) . . . . ?
C12 N12 C13 C14 -3.1(8) . . . . ?
Ag1 N12 C13 C14 -167.2(5) . . . . ?
N12 C13 C14 N11 1.5(9) . . . . ?
C12 N11 C14 C13 0.7(8) . . . . ?
C11 N11 C14 C13 178.5(6) . . . . ?
C32 N31 C31 C3 -29.6(9) . . . . ?
C34 N31 C31 C3 147.7(6) . . . . ?
C4 C3 C31 N31 95.2(7) . . . . ?
C2 C3 C31 N31 -87.2(7) . . . . ?
C33 N32 C32 N31 -2.5(8) . . . . ?
Ag3 N32 C32 N31 -170.8(4) . . . . ?
C34 N31 C32 N32 2.5(8) . . . . ?
C31 N31 C32 N32 -179.7(6) . . . . ?
C32 N32 C33 C34 1.5(8) . . . . ?
Ag3 N32 C33 C34 170.0(4) . . . . ?
C32 N31 C34 C33 -1.5(8) . . . . ?
C31 N31 C34 C33 -179.3(6) . . . . ?
N32 C33 C34 N31 0.0(8) . . . . ?
C52 N51 C51 C5 -7.2(10) . . . . ?
C54 N51 C51 C5 175.4(7) . . . . ?
C4 C5 C51 N51 -93.6(7) . . . . ?
C6 C5 C51 N51 90.7(7) . . . . ?
C53 N52 C52 N51 0.0(9) . . . . ?
Ag2 N52 C52 N51 -178.6(5) . . . . ?
C54 N51 C52 N52 -0.4(9) . . . . ?
C51 N51 C52 N52 -178.1(7) . . . . ?
C52 N52 C53 C54 0.4(10) . . . . ?
Ag2 N52 C53 C54 179.1(6) . . . . ?
N52 C53 C54 N51 -0.7(10) . . . . ?
C52 N51 C54 C53 0.6(9) . . . . ?
C51 N51 C54 C53 178.5(7) . . . . ?
C106 C101 C102 C103 3.2(8) . . . . ?
C111 C101 C102 C103 -172.1(5) . . . . ?
C106 C101 C102 C121 -176.8(5) . . . . ?
C111 C101 C102 C121 7.9(7) . . . . ?
C101 C102 C103 C104 -4.5(8) . . . . ?
C121 C102 C103 C104 175.5(5) . . . . ?
C101 C102 C103 C131 169.9(5) . . . . ?
C121 C102 C103 C131 -10.1(7) . . . . ?
C102 C103 C104 C105 2.7(8) . . . . ?
C131 C103 C104 C105 -171.6(5) . . . . ?
C102 C103 C104 C141 -176.5(5) . . . . ?
C131 C103 C104 C141 9.1(8) . . . . ?
C103 C104 C105 C106 0.6(8) . . . . ?
C141 C104 C105 C106 179.8(5) . . . . ?
C103 C104 C105 C151 177.2(5) . . . . ?
C141 C104 C105 C151 -3.6(8) . . . . ?
C102 C101 C106 C105 -0.1(8) . . . . ?
C111 C101 C106 C105 175.3(5) . . . . ?
C102 C101 C106 C161 -178.9(5) . . . . ?
C111 C101 C106 C161 -3.5(8) . . . . ?
C104 C105 C106 C101 -1.8(8) . . . . ?
C151 C105 C106 C101 -178.5(5) . . . . ?
C104 C105 C106 C161 177.0(5) . . . . ?
C151 C105 C106 C161 0.4(8) . . . . ?
C112 N111 C111 C101 2.2(9) . . . . ?
C114 N111 C111 C101 -179.1(6) . . . . ?
C102 C101 C111 N111 -101.8(6) . . . . ?
C106 C101 C111 N111 82.7(7) . . . . ?
C113 N112 C112 N111 0.4(7) . . . . ?
Ag1 N112 C112 N111 -167.0(4) . . . . ?
C114 N111 C112 N112 -0.4(7) . . . . ?
C111 N111 C112 N112 178.5(6) . . . . ?
C112 N112 C113 C114 -0.3(7) . . . . ?
Ag1 N112 C113 C114 168.1(4) . . . . ?
N112 C113 C114 N111 0.0(7) . . . . ?
C112 N111 C114 C113 0.2(7) . . . . ?
C111 N111 C114 C113 -178.8(6) . . . . ?
C132 N131 C131 C103 16.4(9) . . . . ?
C134 N131 C131 C103 -163.7(6) . . . . ?
C104 C103 C131 N131 -100.0(6) . . . . ?
C102 C103 C131 N131 85.5(7) . . . . ?
C133 N132 C132 N131 1.1(7) . . . . ?
Ag3 N132 C132 N131 170.8(4) . . . . ?
C134 N131 C132 N132 0.3(7) . . . . ?
C131 N131 C132 N132 -179.8(6) . . . . ?
C132 N132 C133 C134 -2.1(7) . . . . ?
Ag3 N132 C133 C134 -172.1(4) . . . . ?
N132 C133 C134 N131 2.3(7) . . . . ?
C132 N131 C134 C133 -1.6(7) . . . . ?
C131 N131 C134 C133 178.5(5) . . . . ?
C152 N151 C151 C105 26.8(11) . . . . ?
C154 N151 C151 C105 -152.1(7) . . . . ?
C104 C105 C151 N151 78.6(7) . . . . ?
C106 C105 C151 N151 -104.7(6) . . . . ?
C153 N152 C152 N151 3.4(10) . . . . ?
Ag2 N152 C152 N151 172.1(5) . . . . ?
C154 N151 C152 N152 -3.3(10) . . . . ?
C151 N151 C152 N152 177.6(7) . . . . ?
C152 N152 C153 C154 -2.1(11) . . . . ?
Ag2 N152 C153 C154 -172.0(6) . . . . ?
N152 C153 C154 N151 0.2(11) . . . . ?
C152 N151 C154 C153 1.7(10) . . . . ?
C151 N151 C154 C153 -179.1(7) . . . . ?
C206 C201 C202 C203 3.9(8) . . . . ?
C211 C201 C202 C203 -169.3(5) . . . . ?
C206 C201 C202 C221 -173.4(5) . . . . ?
C211 C201 C202 C221 13.4(8) . . . . ?
C201 C202 C203 C204 -3.5(8) . . . . ?
C221 C202 C203 C204 173.7(5) . . . . ?
C201 C202 C203 C231 170.5(5) . . . . ?
C221 C202 C203 C231 -12.3(8) . . . . ?
C202 C203 C204 C205 1.8(8) . . . . ?
C231 C203 C204 C205 -172.2(5) . . . . ?
C202 C203 C204 C241 -178.4(5) . . . . ?
C231 C203 C204 C241 7.6(8) . . . . ?
C203 C204 C205 C206 -0.3(8) . . . . ?
C241 C204 C205 C206 179.9(5) . . . . ?
C203 C204 C205 C251 172.8(5) . . . . ?
C241 C204 C205 C251 -7.0(8) . . . . ?
C204 C205 C206 C201 0.6(8) . . . . ?
C251 C205 C206 C201 -172.5(5) . . . . ?
C204 C205 C206 C261 -178.5(5) . . . . ?
C251 C205 C206 C261 8.4(8) . . . . ?
C202 C201 C206 C205 -2.5(8) . . . . ?
C211 C201 C206 C205 170.8(5) . . . . ?
C202 C201 C206 C261 176.6(5) . . . . ?
C211 C201 C206 C261 -10.1(8) . . . . ?
C212 N211 C211 C201 -5.5(9) . . . . ?
C214 N211 C211 C201 177.6(6) . . . . ?
C202 C201 C211 N211 -92.9(6) . . . . ?
C206 C201 C211 N211 93.5(6) . . . . ?
C213 N212 C212 N211 1.4(7) . . . . ?
Ag4 N212 C212 N211 177.9(4) . . . . ?
C214 N211 C212 N212 -1.9(7) . . . . ?
C211 N211 C212 N212 -179.2(6) . . . . ?
C212 N212 C213 C214 -0.2(7) . . . . ?
Ag4 N212 C213 C214 -176.8(4) . . . . ?
N212 C213 C214 N211 -0.9(7) . . . . ?
C212 N211 C214 C213 1.6(7) . . . . ?
C211 N211 C214 C213 179.1(6) . . . . ?
C232 N231 C231 C203 -27.7(9) . . . . ?
C234 N231 C231 C203 153.3(6) . . . . ?
C202 C203 C231 N231 106.4(6) . . . . ?
C204 C203 C231 N231 -79.4(7) . . . . ?
C233 N232 C232 N231 1.1(7) . . . . ?
Ag5 N232 C232 N231 -175.4(4) . . . . ?
C234 N231 C232 N232 -0.8(7) . . . . ?
C231 N231 C232 N232 -179.9(5) . . . . ?
C232 N232 C233 C234 -1.0(7) . . . . ?
Ag5 N232 C233 C234 175.3(4) . . . . ?
N232 C233 C234 N231 0.5(7) . . . . ?
C232 N231 C234 C233 0.1(7) . . . . ?
C231 N231 C234 C233 179.3(6) . . . . ?
C252 N251 C251 C205 -19.2(9) . . . . ?
C254 N251 C251 C205 164.8(6) . . . . ?
C206 C205 C251 N251 -87.4(7) . . . . ?
C204 C205 C251 N251 99.4(6) . . . . ?
C253 N252 C252 N251 0.3(8) . . . . ?
Ag6 N252 C252 N251 -176.6(4) . . . . ?
C254 N251 C252 N252 -0.3(8) . . . . ?
C251 N251 C252 N252 -176.8(6) . . . . ?
C252 N252 C253 C254 -0.2(8) . . . . ?
Ag6 N252 C253 C254 177.1(5) . . . . ?
C252 N251 C254 C253 0.1(8) . . . . ?
C251 N251 C254 C253 176.9(6) . . . . ?
N252 C253 C254 N251 0.1(8) . . . . ?
C306 C301 C302 C303 -1.6(8) . . . . ?
C311 C301 C302 C303 172.1(5) . . . . ?
C306 C301 C302 C321 178.4(5) . . . . ?
C311 C301 C302 C321 -8.0(8) . . . . ?
C301 C302 C303 C304 -0.9(8) . . . . ?
C321 C302 C303 C304 179.2(5) . . . . ?
C301 C302 C303 C331 -175.4(5) . . . . ?
C321 C302 C303 C331 4.7(8) . . . . ?
C302 C303 C304 C305 0.8(8) . . . . ?
C331 C303 C304 C305 175.3(5) . . . . ?
C302 C303 C304 C341 -179.4(5) . . . . ?
C331 C303 C304 C341 -5.0(8) . . . . ?
C303 C304 C305 C306 1.7(8) . . . . ?
C341 C304 C305 C306 -178.0(5) . . . . ?
C303 C304 C305 C351 -174.2(5) . . . . ?
C341 C304 C305 C351 6.0(8) . . . . ?
C304 C305 C306 C301 -4.1(8) . . . . ?
C351 C305 C306 C301 171.8(5) . . . . ?
C304 C305 C306 C361 174.7(5) . . . . ?
C351 C305 C306 C361 -9.4(8) . . . . ?
C302 C301 C306 C305 4.1(8) . . . . ?
C311 C301 C306 C305 -169.5(5) . . . . ?
C302 C301 C306 C361 -174.7(5) . . . . ?
C311 C301 C306 C361 11.6(8) . . . . ?
C312 N311 C311 C301 5.0(10) . . . . ?
C314 N311 C311 C301 -176.0(6) . . . . ?
C302 C301 C311 N311 90.3(7) . . . . ?
C306 C301 C311 N311 -95.9(7) . . . . ?
C313 N312 C312 N311 -0.7(7) . . . . ?
Ag4 N312 C312 N311 -175.3(4) . . . . ?
C314 N311 C312 N312 0.8(7) . . . . ?
C311 N311 C312 N312 179.9(6) . . . . ?
C312 N312 C313 C314 0.4(7) . . . . ?
Ag4 N312 C313 C314 175.8(4) . . . . ?
N312 C313 C314 N311 0.0(7) . . . . ?
C312 N311 C314 C313 -0.5(7) . . . . ?
C311 N311 C314 C313 -179.6(6) . . . . ?
C332 N331 C331 C303 42.0(10) . . . . ?
C334 N331 C331 C303 -144.9(6) . . . . ?
C304 C303 C331 N331 83.8(7) . . . . ?
C302 C303 C331 N331 -101.7(7) . . . . ?
C333 N332 C332 N331 -0.9(8) . . . . ?
Ag5 N332 C332 N331 173.4(4) . . . . ?
C334 N331 C332 N332 1.1(8) . . . . ?
C331 N331 C332 N332 175.2(6) . . . . ?
C332 N332 C333 C334 0.4(8) . . . . ?
Ag5 N332 C333 C334 -174.4(4) . . . . ?
N332 C333 C334 N331 0.3(8) . . . . ?
C332 N331 C334 C333 -0.8(8) . . . . ?
C331 N331 C334 C333 -175.2(6) . . . . ?
C352 N351 C351 C305 0.0(11) . . . . ?
C354 N351 C351 C305 -176.7(7) . . . . ?
C306 C305 C351 N351 92.8(8) . . . . ?
C304 C305 C351 N351 -91.3(8) . . . . ?
C353 N352 C352 N351 2.1(9) . . . . ?
Ag6 N352 C352 N351 176.2(5) . . . . ?
C354 N351 C352 N352 -2.5(9) . . . . ?
C351 N351 C352 N352 -179.7(7) . . . . ?
C352 N352 C353 C354 -0.9(9) . . . . ?
Ag6 N352 C353 C354 -174.7(5) . . . . ?
N352 C353 C354 N351 -0.6(9) . . . . ?
C352 N351 C354 C353 1.8(9) . . . . ?
C351 N351 C354 C353 179.0(7) . . . . ?
C406 C401 C402 C403 -0.6(11) . . . . ?
C407 C401 C402 C403 179.4(6) . . . . ?
C401 C402 C403 C404 0.8(11) . . . . ?
C402 C403 C404 C405 -2.3(11) . . . . ?
C402 C403 C404 C408 -178.7(6) . . . . ?
C403 C404 C405 C406 3.3(10) . . . . ?
C408 C404 C405 C406 179.7(6) . . . . ?
C402 C401 C406 C405 1.6(11) . . . . ?
C407 C401 C406 C405 -178.3(6) . . . . ?
C404 C405 C406 C401 -2.8(10) . . . . ?
C402 C401 C407 O2 -172.6(8) . . . . ?
C406 C401 C407 O2 7.4(10) . . . . ?
C402 C401 C407 O1 8.5(10) . . . . ?
C406 C401 C407 O1 -171.6(7) . . . . ?
C403 C404 C408 O3 1.4(10) . . . . ?
C405 C404 C408 O3 -175.3(7) . . . . ?
C403 C404 C408 O4 177.9(7) . . . . ?
C405 C404 C408 O4 1.2(9) . . . . ?
C506 C501 C502 C503 -1.7(9) . . . . ?
C507 C501 C502 C503 178.9(5) . . . . ?
C501 C502 C503 C504 1.8(9) . . . . ?
C502 C503 C504 C505 -0.1(8) . . . . ?
C502 C503 C504 C508 177.5(5) . . . . ?
C503 C504 C505 C506 -1.9(9) . . . . ?
C508 C504 C505 C506 -179.5(5) . . . . ?
C504 C505 C506 C501 2.0(8) . . . . ?
C502 C501 C506 C505 -0.2(8) . . . . ?
C507 C501 C506 C505 179.2(5) . . . . ?
C502 C501 C507 O6 -169.9(6) . . . . ?
C506 C501 C507 O6 10.7(9) . . . . ?
C502 C501 C507 O5 9.8(9) . . . . ?
C506 C501 C507 O5 -169.6(5) . . . . ?
C505 C504 C508 O7 -174.4(6) . . . . ?
C503 C504 C508 O7 8.2(9) . . . . ?
C505 C504 C508 O8 4.2(9) . . . . ?
C503 C504 C508 O8 -173.3(6) . . . . ?
C606 C601 C602 C603 -0.4(7) . . . . ?
C607 C601 C602 C603 -179.3(5) . . . . ?
C601 C602 C603 C604 1.4(8) . . . . ?
C602 C603 C604 C605 -2.0(8) . . . . ?
C602 C603 C604 C608 179.6(5) . . . . ?
C603 C604 C605 C606 1.5(8) . . . . ?
C608 C604 C605 C606 180.0(5) . . . . ?
C602 C601 C606 C605 0.0(7) . . . . ?
C607 C601 C606 C605 178.9(4) . . . . ?
C604 C605 C606 C601 -0.6(8) . . . . ?
Ag1 O9 C607 O10 2.9(6) . . . . ?
Ag1 O9 C607 C601 -177.0(3) . . . . ?
C606 C601 C607 O10 6.9(7) . . . . ?
C602 C601 C607 O10 -174.2(4) . . . . ?
C606 C601 C607 O9 -173.3(5) . . . . ?
C602 C601 C607 O9 5.6(7) . . . . ?
C605 C604 C608 O12 -7.0(8) . . . . ?
C603 C604 C608 O12 171.4(5) . . . . ?
C605 C604 C608 O11 173.8(5) . . . . ?
C603 C604 C608 O11 -7.9(8) . . . . ?
