#------------------------------------------------------------------------------
#$Date: 2016-01-07 14:55:46 +0200 (Thu, 07 Jan 2016) $
#$Revision: 173652 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/37/7223778.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_7223778
loop_
_publ_author_name
'Yang, Xiao'
'Wang, Yu'
'Zhou, Hao-Long'
'Liu, Yi-Jiang'
'He, Chun-Ting'
'Lin, Rui-Biao'
'Zhang, Jie-Peng'
_publ_section_title
;
 Guest-containing supramolecular isomers of silver(i)
 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural
 transformation behaviours
;
_journal_issue                   46
_journal_name_full               CrystEngComm
_journal_page_first              8843
_journal_paper_doi               10.1039/C5CE00004A
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C71 H122 Ag8 N24 O'
_chemical_formula_weight         2190.89
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-12-31 deposited with the CCDC.
2015-03-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 115.8920(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.8059(6)
_cell_length_b                   20.5551(5)
_cell_length_c                   22.2812(5)
_cell_measurement_temperature    113(2)
_cell_volume                     8984.4(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_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  0.0737
_diffrn_reflns_av_sigmaI/netI    0.0863
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            47314
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    1.758
_exptl_absorpt_correction_T_max  0.8438
_exptl_absorpt_correction_T_min  0.8438
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4400
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.376
_refine_diff_density_min         -1.297
_refine_diff_density_rms         0.227
_refine_ls_extinction_coef       0.00114(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     917
_refine_ls_number_reflns         20015
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.1281
_refine_ls_R_factor_gt           0.0648
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1331P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1768
_refine_ls_wR_factor_ref         0.2426
_reflns_number_gt                11284
_reflns_number_total             20015
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce00004a2.cif
_cod_data_source_block           4d
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7223778
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.058208(18) 0.809852(19) 0.192221(16) 0.05154(10) Uani 1 1 d . . .
Ag2 Ag 0.080253(19) 0.64071(2) 0.210900(16) 0.05981(11) Uani 1 1 d . . .
Ag3 Ag -0.022887(17) 0.81174(2) 0.298946(17) 0.05365(11) Uani 1 1 d . . .
Ag4 Ag -0.043874(18) 0.64835(2) 0.262159(18) 0.05706(11) Uani 1 1 d . . .
Ag5 Ag 0.26125(2) 0.73308(2) 0.490532(19) 0.06816(14) Uani 1 1 d . . .
Ag6 Ag 0.080269(18) 0.35388(2) 0.345046(16) 0.05581(11) Uani 1 1 d . . .
Ag7 Ag 0.280701(17) 0.26672(2) 0.648876(16) 0.05714(11) Uani 1 1 d . . .
Ag8 Ag 0.363047(17) 0.21322(2) 0.542736(15) 0.05232(10) Uani 1 1 d . . .
N1 N 0.07871(18) 0.7529(2) 0.11953(16) 0.0489(10) Uani 1 1 d . . .
N2 N 0.09873(17) 0.68759(18) 0.13501(15) 0.0444(10) Uani 1 1 d . . .
N3 N 0.10501(18) 0.7147(2) 0.04094(15) 0.0487(11) Uani 1 1 d . . .
N4 N 0.05315(18) 0.90050(19) 0.24180(17) 0.0490(10) Uani 1 1 d . . .
N5 N 0.02459(18) 0.9007(2) 0.28582(17) 0.0521(11) Uani 1 1 d . . .
N6 N 0.0407(2) 1.0026(2) 0.2659(2) 0.0668(14) Uani 1 1 d . . .
N7 N 0.10537(17) 0.73444(19) 0.29297(16) 0.0446(10) Uani 1 1 d . . .
N8 N 0.06548(17) 0.71964(19) 0.32664(16) 0.0456(10) Uani 1 1 d . . .
N9 N 0.17379(19) 0.7244(2) 0.40120(17) 0.0536(12) Uani 1 1 d . . .
N10 N 0.4363(2) 0.7286(2) 0.67736(19) 0.0579(13) Uani 1 1 d . . .
N11 N 0.4405(2) 0.7912(2) 0.66005(18) 0.0543(12) Uani 1 1 d . . .
N12 N 0.3505(2) 0.7443(2) 0.57897(18) 0.0618(14) Uani 1 1 d . . .
N13 N 0.07419(16) 0.56246(19) 0.27276(16) 0.0468(10) Uani 1 1 d . . .
N14 N 0.01096(17) 0.5551(2) 0.27386(16) 0.0478(10) Uani 1 1 d . . .
N15 N 0.07318(17) 0.4665(2) 0.31922(16) 0.0479(10) Uani 1 1 d . . .
N16 N 0.23871(19) 0.2975(2) 0.53843(17) 0.0576(12) Uani 1 1 d . . .
N17 N 0.25355(19) 0.2538(2) 0.49944(17) 0.0551(12) Uani 1 1 d . . .
N18 N 0.16355(19) 0.31170(19) 0.43468(16) 0.0473(11) Uani 1 1 d . . .
N19 N 0.11730(17) 0.2996(2) 0.71152(18) 0.0544(11) Uani 1 1 d . . .
N20 N 0.09697(18) 0.2406(2) 0.67832(19) 0.0551(11) Uani 1 1 d . . .
N21 N 0.19680(17) 0.2680(2) 0.68115(17) 0.0506(11) Uani 1 1 d . . .
N22 N 0.38247(17) 0.2224(2) 0.68978(15) 0.0499(11) Uani 1 1 d . . .
N23 N 0.41200(17) 0.1969(2) 0.65167(15) 0.0496(11) Uani 1 1 d . . .
N24 N 0.48479(17) 0.1845(2) 0.75795(15) 0.0486(11) Uani 1 1 d . . .
C1 C 0.0834(2) 0.7663(2) 0.0641(2) 0.0486(13) Uani 1 1 d . . .
C2 C 0.0636(3) 0.8324(3) 0.0308(3) 0.0803(19) Uani 1 1 d . . .
H2 H 0.0635 0.8571 0.0694 0.096 Uiso 1 1 calc R . .
C3 C -0.0011(5) 0.8382(5) -0.0099(7) 0.252(7) Uani 1 1 d . . .
H3A H -0.0178 0.8804 -0.0026 0.378 Uiso 1 1 calc R . .
H3B H -0.0267 0.8032 -0.0014 0.378 Uiso 1 1 calc R . .
H3C H -0.0073 0.8355 -0.0561 0.378 Uiso 1 1 calc R . .
C4 C 0.1201(5) 0.8652(4) 0.0266(6) 0.201(5) Uani 1 1 d . . .
H4A H 0.1600 0.8633 0.0700 0.302 Uiso 1 1 calc R . .
H4B H 0.1079 0.9108 0.0140 0.302 Uiso 1 1 calc R . .
H4C H 0.1306 0.8439 -0.0071 0.302 Uiso 1 1 calc R . .
C5 C 0.1126(2) 0.6668(2) 0.08451(18) 0.0413(11) Uani 1 1 d . . .
C6 C 0.1345(2) 0.5990(3) 0.0803(2) 0.0569(14) Uani 1 1 d . . .
H6 H 0.1519 0.5983 0.0456 0.068 Uiso 1 1 calc R . .
C7 C 0.1933(3) 0.5771(4) 0.1468(3) 0.089(2) Uani 1 1 d . . .
H7A H 0.2319 0.6070 0.1587 0.134 Uiso 1 1 calc R . .
H7B H 0.2076 0.5330 0.1419 0.134 Uiso 1 1 calc R . .
H7C H 0.1779 0.5776 0.1820 0.134 Uiso 1 1 calc R . .
C8 C 0.0758(3) 0.5519(3) 0.0587(3) 0.089(2) Uani 1 1 d . . .
H8A H 0.0627 0.5456 0.0951 0.134 Uiso 1 1 calc R . .
H8B H 0.0895 0.5101 0.0472 0.134 Uiso 1 1 calc R . .
H8C H 0.0369 0.5694 0.0196 0.134 Uiso 1 1 calc R . .
C9 C 0.0621(3) 0.9606(3) 0.2301(2) 0.0597(14) Uani 1 1 d . . .
C10 C 0.0888(3) 0.9825(3) 0.1821(2) 0.0678(16) Uani 1 1 d . . .
H10 H 0.1148 0.9450 0.1759 0.081 Uiso 1 1 calc R . .
C11 C 0.1402(4) 1.0383(4) 0.2130(4) 0.152(3) Uani 1 1 d . . .
H11A H 0.1192 1.0727 0.2283 0.229 Uiso 1 1 calc R . .
H11B H 0.1533 1.0560 0.1794 0.229 Uiso 1 1 calc R . .
H11C H 0.1808 1.0217 0.2509 0.229 Uiso 1 1 calc R . .
C12 C 0.0325(4) 0.9967(4) 0.1158(3) 0.114(3) Uani 1 1 d . . .
H12A H 0.0025 0.9588 0.1000 0.171 Uiso 1 1 calc R . .
H12B H 0.0513 1.0068 0.0842 0.171 Uiso 1 1 calc R . .
H12C H 0.0063 1.0341 0.1193 0.171 Uiso 1 1 calc R . .
C13 C 0.0164(3) 0.9627(3) 0.2962(2) 0.0620(15) Uani 1 1 d . . .
C14 C -0.0142(3) 0.9824(4) 0.3443(3) 0.109(2) Uani 1 1 d . . .
H14 H -0.0128 0.9426 0.3707 0.130 Uiso 1 1 calc R . .
C15 C -0.0884(4) 0.9993(6) 0.3047(4) 0.146(4) Uani 1 1 d . . .
H15A H -0.0923 1.0422 0.2842 0.219 Uiso 1 1 calc R . .
H15B H -0.1108 1.0000 0.3344 0.219 Uiso 1 1 calc R . .
H15C H -0.1102 0.9666 0.2698 0.219 Uiso 1 1 calc R . .
C16 C 0.0255(4) 1.0321(4) 0.3929(4) 0.127(3) Uani 1 1 d . . .
H16A H 0.0625 1.0112 0.4311 0.191 Uiso 1 1 calc R . .
H16B H -0.0041 1.0557 0.4080 0.191 Uiso 1 1 calc R . .
H16C H 0.0448 1.0626 0.3719 0.191 Uiso 1 1 calc R . .
C17 C 0.1681(2) 0.7381(3) 0.3380(2) 0.0529(14) Uani 1 1 d . . .
C18 C 0.2256(2) 0.7539(4) 0.3206(3) 0.0792(19) Uani 1 1 d . . .
H18 H 0.2041 0.7456 0.2714 0.095 Uiso 1 1 calc R . .
C19 C 0.2433(4) 0.8185(4) 0.3233(5) 0.165(3) Uani 1 1 d . . .
H19A H 0.2043 0.8434 0.2915 0.247 Uiso 1 1 calc R . .
H19B H 0.2817 0.8230 0.3120 0.247 Uiso 1 1 calc R . .
H19C H 0.2564 0.8352 0.3685 0.247 Uiso 1 1 calc R . .
C20 C 0.2820(3) 0.7032(4) 0.3455(3) 0.095(2) Uani 1 1 d . . .
H20A H 0.3057 0.7047 0.3944 0.142 Uiso 1 1 calc R . .
H20B H 0.3145 0.7123 0.3271 0.142 Uiso 1 1 calc R . .
H20C H 0.2623 0.6599 0.3313 0.142 Uiso 1 1 calc R . .
C21 C 0.1092(2) 0.7136(2) 0.3900(2) 0.0491(13) Uani 1 1 d . . .
C22 C 0.0840(3) 0.6958(4) 0.4417(3) 0.091(2) Uani 1 1 d . . .
H22 H 0.0340 0.6894 0.4139 0.110 Uiso 1 1 calc R . .
C23 C 0.0862(5) 0.7497(5) 0.4856(3) 0.135(3) Uani 1 1 d . . .
H23A H 0.1336 0.7580 0.5175 0.202 Uiso 1 1 calc R . .
H23B H 0.0595 0.7384 0.5098 0.202 Uiso 1 1 calc R . .
H23C H 0.0670 0.7888 0.4587 0.202 Uiso 1 1 calc R . .
C24 C 0.1068(4) 0.6308(4) 0.4696(3) 0.116(3) Uani 1 1 d . . .
H24A H 0.1031 0.6010 0.4339 0.173 Uiso 1 1 calc R . .
H24B H 0.0781 0.6150 0.4903 0.173 Uiso 1 1 calc R . .
H24C H 0.1543 0.6329 0.5033 0.173 Uiso 1 1 calc R . .
C25 C 0.3822(2) 0.7015(3) 0.6290(2) 0.0603(16) Uani 1 1 d . . .
C26 C 0.3592(3) 0.6337(3) 0.6326(3) 0.086(2) Uani 1 1 d . . .
H26 H 0.3972 0.6115 0.6706 0.103 Uiso 1 1 calc R . .
C27 C 0.3449(5) 0.5951(4) 0.5712(4) 0.127(4) Uani 1 1 d . . .
H27A H 0.3098 0.6171 0.5324 0.190 Uiso 1 1 calc R . .
H27B H 0.3290 0.5516 0.5756 0.190 Uiso 1 1 calc R . .
H27C H 0.3867 0.5913 0.5652 0.190 Uiso 1 1 calc R . .
C28 C 0.2974(4) 0.6338(5) 0.6478(4) 0.136(4) Uani 1 1 d . . .
H28A H 0.3044 0.6658 0.6829 0.204 Uiso 1 1 calc R . .
H28B H 0.2917 0.5905 0.6630 0.204 Uiso 1 1 calc R . .
H28C H 0.2565 0.6453 0.6074 0.204 Uiso 1 1 calc R . .
C29 C 0.3874(2) 0.8003(3) 0.5982(2) 0.0585(16) Uani 1 1 d . . .
C30 C 0.3762(3) 0.8580(3) 0.5555(2) 0.0661(18) Uani 1 1 d . . .
H30 H 0.3258 0.8632 0.5293 0.079 Uiso 1 1 calc R . .
C31 C 0.4055(4) 0.8474(3) 0.5055(3) 0.097(2) Uani 1 1 d . . .
H31A H 0.4551 0.8432 0.5293 0.145 Uiso 1 1 calc R . .
H31B H 0.3939 0.8845 0.4749 0.145 Uiso 1 1 calc R . .
H31C H 0.3862 0.8075 0.4801 0.145 Uiso 1 1 calc R . .
C32 C 0.4028(4) 0.9201(4) 0.5944(3) 0.114(3) Uani 1 1 d . . .
H32A H 0.3739 0.9325 0.6160 0.171 Uiso 1 1 calc R . .
H32B H 0.4021 0.9549 0.5639 0.171 Uiso 1 1 calc R . .
H32C H 0.4496 0.9134 0.6284 0.171 Uiso 1 1 calc R . .
C33 C 0.1094(2) 0.5101(2) 0.30021(19) 0.0394(11) Uani 1 1 d . . .
C34 C 0.1810(2) 0.5016(3) 0.3090(3) 0.0610(15) Uani 1 1 d . . .
H34 H 0.1919 0.5407 0.2888 0.073 Uiso 1 1 calc R . .
C35 C 0.1909(3) 0.4436(3) 0.2738(4) 0.107(3) Uani 1 1 d . . .
H35A H 0.2041 0.4061 0.3040 0.161 Uiso 1 1 calc R . .
H35B H 0.2268 0.4527 0.2597 0.161 Uiso 1 1 calc R . .
H35C H 0.1482 0.4338 0.2345 0.161 Uiso 1 1 calc R . .
C36 C 0.2286(3) 0.5034(6) 0.3831(3) 0.135(4) Uani 1 1 d . . .
H36A H 0.2141 0.5378 0.4045 0.203 Uiso 1 1 calc R . .
H36B H 0.2752 0.5121 0.3894 0.203 Uiso 1 1 calc R . .
H36C H 0.2272 0.4613 0.4032 0.203 Uiso 1 1 calc R . .
C37 C 0.01365(19) 0.4993(3) 0.30278(19) 0.0488(13) Uani 1 1 d . . .
C38 C -0.0445(2) 0.4708(3) 0.3137(2) 0.0543(13) Uani 1 1 d . . .
H38 H -0.0324 0.4249 0.3294 0.065 Uiso 1 1 calc R . .
C39 C -0.0531(2) 0.5095(3) 0.3694(2) 0.0792(19) Uani 1 1 d . . .
H39A H -0.0081 0.5176 0.4063 0.119 Uiso 1 1 calc R . .
H39B H -0.0809 0.4842 0.3857 0.119 Uiso 1 1 calc R . .
H39C H -0.0756 0.5511 0.3514 0.119 Uiso 1 1 calc R . .
C40 C -0.1109(3) 0.4694(3) 0.2492(3) 0.0741(19) Uani 1 1 d . . .
H40A H -0.1180 0.5119 0.2271 0.111 Uiso 1 1 calc R . .
H40B H -0.1491 0.4599 0.2598 0.111 Uiso 1 1 calc R . .
H40C H -0.1080 0.4357 0.2195 0.111 Uiso 1 1 calc R . .
C41 C 0.1848(2) 0.3294(3) 0.4987(2) 0.0523(14) Uani 1 1 d . . .
C42 C 0.1499(3) 0.3793(3) 0.5250(3) 0.0726(18) Uani 1 1 d . . .
H42 H 0.1712 0.3734 0.5745 0.087 Uiso 1 1 calc R . .
C43 C 0.1654(4) 0.4465(3) 0.5138(3) 0.118(3) Uani 1 1 d . . .
H43A H 0.2144 0.4545 0.5390 0.176 Uiso 1 1 calc R . .
H43B H 0.1401 0.4767 0.5287 0.176 Uiso 1 1 calc R . .
H43C H 0.1520 0.4532 0.4661 0.176 Uiso 1 1 calc R . .
C44 C 0.0763(3) 0.3668(4) 0.5022(3) 0.105(3) Uani 1 1 d . . .
H44A H 0.0499 0.3955 0.4646 0.158 Uiso 1 1 calc R . .
H44B H 0.0640 0.3754 0.5389 0.158 Uiso 1 1 calc R . .
H44C H 0.0662 0.3213 0.4881 0.158 Uiso 1 1 calc R . .
C45 C 0.2072(2) 0.2638(2) 0.4375(2) 0.0427(12) Uani 1 1 d . . .
C46 C 0.2035(3) 0.2227(3) 0.3808(2) 0.0612(16) Uani 1 1 d . . .
H46 H 0.2423 0.1913 0.3996 0.073 Uiso 1 1 calc R . .
C47 C 0.2140(4) 0.2627(4) 0.3283(3) 0.103(3) Uani 1 1 d . . .
H47A H 0.1832 0.3002 0.3155 0.155 Uiso 1 1 calc R . .
H47B H 0.2044 0.2357 0.2889 0.155 Uiso 1 1 calc R . .
H47C H 0.2613 0.2780 0.3467 0.155 Uiso 1 1 calc R . .
C48 C 0.1395(4) 0.1831(3) 0.3517(4) 0.115(3) Uani 1 1 d . . .
H48A H 0.1389 0.1531 0.3857 0.173 Uiso 1 1 calc R . .
H48B H 0.1377 0.1582 0.3135 0.173 Uiso 1 1 calc R . .
H48C H 0.0998 0.2120 0.3370 0.173 Uiso 1 1 calc R . .
C49 C 0.1760(2) 0.3123(2) 0.7120(2) 0.0494(13) Uani 1 1 d . . .
C50 C 0.2172(3) 0.3704(3) 0.7517(3) 0.0735(18) Uani 1 1 d . . .
H50 H 0.1834 0.4004 0.7564 0.088 Uiso 1 1 calc R . .
C51 C 0.2643(4) 0.3504(5) 0.8209(4) 0.136(4) Uani 1 1 d . . .
H51A H 0.2398 0.3506 0.8487 0.204 Uiso 1 1 calc R . .
H51B H 0.3026 0.3810 0.8393 0.204 Uiso 1 1 calc R . .
H51C H 0.2816 0.3066 0.8201 0.204 Uiso 1 1 calc R . .
C52 C 0.2505(4) 0.4097(4) 0.7156(4) 0.119(3) Uani 1 1 d . . .
H52A H 0.2431 0.3876 0.6740 0.178 Uiso 1 1 calc R . .
H52B H 0.2995 0.4134 0.7442 0.178 Uiso 1 1 calc R . .
H52C H 0.2302 0.4532 0.7054 0.178 Uiso 1 1 calc R . .
C53 C 0.1456(2) 0.2231(3) 0.6612(2) 0.0586(15) Uani 1 1 d . . .
C54 C 0.1418(3) 0.1625(3) 0.6241(3) 0.0727(17) Uani 1 1 d . . .
H54 H 0.1035 0.1374 0.6261 0.087 Uiso 1 1 calc R . .
C55 C 0.2050(4) 0.1194(4) 0.6603(4) 0.141(3) Uani 1 1 d . . .
H55A H 0.2461 0.1440 0.6673 0.212 Uiso 1 1 calc R . .
H55B H 0.2016 0.0808 0.6331 0.212 Uiso 1 1 calc R . .
H55C H 0.2076 0.1058 0.7035 0.212 Uiso 1 1 calc R . .
C56 C 0.1223(4) 0.1701(4) 0.5518(3) 0.117(3) Uani 1 1 d . . .
H56A H 0.0801 0.1955 0.5311 0.175 Uiso 1 1 calc R . .
H56B H 0.1150 0.1270 0.5308 0.175 Uiso 1 1 calc R . .
H56C H 0.1588 0.1926 0.5458 0.175 Uiso 1 1 calc R . .
C57 C 0.4276(2) 0.2143(3) 0.75282(19) 0.0489(13) Uani 1 1 d . . .
C58 C 0.4157(3) 0.2392(3) 0.8112(2) 0.0757(19) Uani 1 1 d . . .
H58 H 0.3780 0.2712 0.7886 0.091 Uiso 1 1 calc R . .
C59 C 0.3818(3) 0.1902(4) 0.8352(3) 0.111(2) Uani 1 1 d . . .
H59A H 0.3430 0.1714 0.7970 0.166 Uiso 1 1 calc R . .
H59B H 0.3657 0.2110 0.8653 0.166 Uiso 1 1 calc R . .
H59C H 0.4143 0.1556 0.8592 0.166 Uiso 1 1 calc R . .
C60 C 0.4681(4) 0.2799(3) 0.8574(3) 0.121(2) Uani 1 1 d . . .
H60A H 0.4985 0.2539 0.8958 0.182 Uiso 1 1 calc R . .
H60B H 0.4474 0.3146 0.8727 0.182 Uiso 1 1 calc R . .
H60C H 0.4942 0.2992 0.8356 0.182 Uiso 1 1 calc R . .
C61 C 0.47154(19) 0.1738(2) 0.69321(18) 0.0404(11) Uani 1 1 d . . .
C62 C 0.5214(2) 0.1404(3) 0.6732(2) 0.0700(18) Uani 1 1 d . . .
H62 H 0.5605 0.1262 0.7156 0.084 Uiso 1 1 calc R . .
C63 C 0.4919(4) 0.0804(4) 0.6343(3) 0.123(3) Uani 1 1 d . . .
H63A H 0.4711 0.0542 0.6573 0.184 Uiso 1 1 calc R . .
H63B H 0.5280 0.0552 0.6301 0.184 Uiso 1 1 calc R . .
H63C H 0.4570 0.0921 0.5898 0.184 Uiso 1 1 calc R . .
C64 C 0.5501(3) 0.1875(4) 0.6405(3) 0.094(2) Uani 1 1 d . . .
H64A H 0.5157 0.1966 0.5950 0.141 Uiso 1 1 calc R . .
H64B H 0.5906 0.1685 0.6389 0.141 Uiso 1 1 calc R . .
H64C H 0.5627 0.2280 0.6661 0.141 Uiso 1 1 calc R . .
C65 C 0.2752(2) 0.5202(3) 0.0463(3) 0.152(4) Uiso 1 1 d G A -1
H65 H 0.2631 0.5557 0.0663 0.183 Uiso 1 1 calc R A -1
C66 C 0.3061(2) 0.4654(3) 0.0840(3) 0.192(5) Uiso 1 1 d G A -1
H66 H 0.3151 0.4635 0.1297 0.230 Uiso 1 1 calc R A -1
C67 C 0.3237(3) 0.4134(3) 0.0547(3) 0.158(4) Uiso 1 1 d G A -1
H67 H 0.3448 0.3760 0.0805 0.189 Uiso 1 1 calc R A -1
C68 C 0.3105(3) 0.4162(3) -0.0122(3) 0.225(7) Uiso 1 1 d G A -1
H68 H 0.3225 0.3807 -0.0321 0.270 Uiso 1 1 calc R A -1
C69 C 0.2796(3) 0.4710(3) -0.0498(3) 0.225(7) Uiso 1 1 d G A -1
H69 H 0.2706 0.4730 -0.0955 0.270 Uiso 1 1 calc R A -1
C70 C 0.2620(3) 0.5230(3) -0.0206(3) 0.206(6) Uiso 1 1 d G A -1
H70 H 0.2409 0.5605 -0.0463 0.247 Uiso 1 1 calc R A -1
C71 C -0.0926(9) 1.1057(6) 0.1600(11) 0.291(10) Uiso 1 1 d R . .
H71A H -0.1154 1.1404 0.1278 0.436 Uiso 1 1 calc R . .
H71B H -0.1187 1.0961 0.1854 0.436 Uiso 1 1 calc R . .
H71C H -0.0899 1.0665 0.1362 0.436 Uiso 1 1 calc R . .
O1 O -0.0188(5) 1.1282(5) 0.2091(5) 0.231(4) Uiso 1 1 d . . .
H1 H -0.0120 1.1206 0.2486 0.277 Uiso 1 1 calc R . .
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
N4 Ag1 N1 153.53(15) . .
N4 Ag1 N7 99.37(13) . .
N1 Ag1 N7 101.06(13) . .
N2 Ag2 N13 158.17(15) . .
N2 Ag2 N7 99.89(13) . .
N13 Ag2 N7 99.16(13) . .
N2 Ag2 Ag4 134.89(10) . .
N13 Ag2 Ag4 62.37(10) . .
N7 Ag2 Ag4 70.97(9) . .
N20 Ag3 N5 152.72(16) 3_566 .
N20 Ag3 N8 97.72(14) 3_566 .
N5 Ag3 N8 107.38(14) . .
N20 Ag3 N10 97.69(15) 3_566 4_575
N5 Ag3 N10 95.42(14) . 4_575
N8 Ag3 N10 83.98(12) . 4_575
N19 Ag4 N14 143.66(15) 3_566 .
N19 Ag4 N11 100.14(15) 3_566 4_575
N14 Ag4 N11 113.09(14) . 4_575
N19 Ag4 N8 100.07(13) 3_566 .
N14 Ag4 N8 95.98(12) . .
N11 Ag4 N8 87.17(12) 4_575 .
N19 Ag4 Ag2 153.62(11) 3_566 .
N14 Ag4 Ag2 61.78(10) . .
N11 Ag4 Ag2 61.41(10) 4_575 .
N8 Ag4 Ag2 62.61(9) . .
N9 Ag5 N12 178.06(18) . .
N18 Ag6 N24 135.99(15) . 4_565
N18 Ag6 N15 122.90(13) . .
N24 Ag6 N15 101.11(13) 4_565 .
N22 Ag7 N21 133.71(13) . .
N22 Ag7 N16 114.52(14) . .
N21 Ag7 N16 109.87(13) . .
N23 Ag8 N3 137.23(13) . 2_545
N23 Ag8 N17 115.47(14) . .
N3 Ag8 N17 106.63(13) 2_545 .
C1 N1 N2 106.7(4) . .
C1 N1 Ag1 135.0(3) . .
N2 N1 Ag1 118.0(2) . .
C5 N2 N1 104.8(3) . .
C5 N2 Ag2 134.8(3) . .
N1 N2 Ag2 118.7(3) . .
C5 N3 C1 104.6(4) . .
C5 N3 Ag8 127.1(3) . 2
C1 N3 Ag8 127.6(3) . 2
C9 N4 N5 107.2(4) . .
C9 N4 Ag1 131.6(4) . .
N5 N4 Ag1 120.1(3) . .
C13 N5 N4 105.4(4) . .
C13 N5 Ag3 132.6(4) . .
N4 N5 Ag3 118.9(3) . .
C13 N6 C9 102.7(4) . .
C17 N7 N8 106.7(3) . .
C17 N7 Ag2 115.1(3) . .
N8 N7 Ag2 103.3(2) . .
C17 N7 Ag1 122.0(3) . .
N8 N7 Ag1 119.7(2) . .
Ag2 N7 Ag1 87.13(10) . .
C21 N8 N7 105.3(3) . .
C21 N8 Ag3 116.2(3) . .
N7 N8 Ag3 106.6(2) . .
C21 N8 Ag4 126.3(3) . .
N7 N8 Ag4 117.0(2) . .
Ag3 N8 Ag4 82.74(9) . .
C21 N9 C17 102.9(3) . .
C21 N9 Ag5 130.2(3) . .
C17 N9 Ag5 126.4(3) . .
C25 N10 N11 108.3(4) . .
C25 N10 Ag3 119.6(4) . 4_676
N11 N10 Ag3 124.4(3) . 4_676
N10 N11 C29 106.4(4) . .
N10 N11 Ag4 102.3(3) . 4_676
C29 N11 Ag4 124.8(3) . 4_676
C25 N12 C29 105.7(4) . .
C25 N12 Ag5 129.6(4) . .
C29 N12 Ag5 124.6(3) . .
C33 N13 N14 106.5(4) . .
C33 N13 Ag2 136.4(3) . .
N14 N13 Ag2 115.3(2) . .
C37 N14 N13 105.8(3) . .
C37 N14 Ag4 136.5(3) . .
N13 N14 Ag4 112.9(3) . .
C37 N15 C33 101.7(4) . .
C37 N15 Ag6 120.1(3) . .
C33 N15 Ag6 136.3(3) . .
C41 N16 N17 106.9(4) . .
C41 N16 Ag7 133.2(4) . .
N17 N16 Ag7 113.5(3) . .
C45 N17 N16 105.8(4) . .
C45 N17 Ag8 132.3(3) . .
N16 N17 Ag8 117.1(2) . .
C41 N18 C45 103.8(3) . .
C41 N18 Ag6 128.3(3) . .
C45 N18 Ag6 127.8(3) . .
C49 N19 N20 105.3(4) . .
C49 N19 Ag4 136.5(4) . 3_566
N20 N19 Ag4 117.7(3) . 3_566
C53 N20 N19 106.3(4) . .
C53 N20 Ag3 134.6(4) . 3_566
N19 N20 Ag3 113.9(3) . 3_566
C49 N21 C53 102.4(4) . .
C49 N21 Ag7 133.1(3) . .
C53 N21 Ag7 123.7(3) . .
C57 N22 N23 106.0(3) . .
C57 N22 Ag7 129.7(3) . .
N23 N22 Ag7 124.3(2) . .
C61 N23 N22 106.8(3) . .
C61 N23 Ag8 133.3(3) . .
N22 N23 Ag8 119.3(2) . .
C57 N24 C61 102.9(3) . .
C57 N24 Ag6 134.1(3) . 4_666
C61 N24 Ag6 122.6(3) . 4_666
N1 C1 N3 112.2(4) . .
N1 C1 C2 121.7(5) . .
N3 C1 C2 126.0(5) . .
C3 C2 C4 127.3(9) . .
C3 C2 C1 114.2(7) . .
C4 C2 C1 112.5(6) . .
C3 C2 H2 98.1 . .
C4 C2 H2 98.1 . .
C1 C2 H2 98.1 . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
N3 C5 N2 111.6(4) . .
N3 C5 C6 125.6(4) . .
N2 C5 C6 122.7(4) . .
C5 C6 C8 111.7(4) . .
C5 C6 C7 111.5(4) . .
C8 C6 C7 110.8(5) . .
C5 C6 H6 107.5 . .
C8 C6 H6 107.5 . .
C7 C6 H6 107.5 . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C6 C8 H8A 109.5 . .
C6 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C6 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N4 C9 N6 111.1(5) . .
N4 C9 C10 124.8(5) . .
N6 C9 C10 124.0(5) . .
C12 C10 C9 111.2(5) . .
C12 C10 C11 115.0(6) . .
C9 C10 C11 109.8(5) . .
C12 C10 H10 106.8 . .
C9 C10 H10 106.8 . .
C11 C10 H10 106.8 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N6 C13 N5 113.4(5) . .
N6 C13 C14 126.0(5) . .
N5 C13 C14 120.4(5) . .
C16 C14 C15 114.2(7) . .
C16 C14 C13 113.5(6) . .
C15 C14 C13 109.4(6) . .
C16 C14 H14 106.4 . .
C15 C14 H14 106.4 . .
C13 C14 H14 106.4 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N7 C17 N9 111.8(4) . .
N7 C17 C18 122.0(4) . .
N9 C17 C18 126.2(4) . .
C19 C18 C17 116.5(7) . .
C19 C18 C20 118.6(5) . .
C17 C18 C20 113.1(6) . .
C19 C18 H18 101.6 . .
C17 C18 H18 101.6 . .
C20 C18 H18 101.6 . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N8 C21 N9 113.2(4) . .
N8 C21 C22 120.1(4) . .
N9 C21 C22 126.7(4) . .
C23 C22 C24 120.0(6) . .
C23 C22 C21 113.9(6) . .
C24 C22 C21 111.9(6) . .
C23 C22 H22 102.7 . .
C24 C22 H22 102.7 . .
C21 C22 H22 102.7 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
N10 C25 N12 110.6(5) . .
N10 C25 C26 123.3(5) . .
N12 C25 C26 126.0(4) . .
C27 C26 C25 112.7(6) . .
C27 C26 C28 110.8(6) . .
C25 C26 C28 111.1(6) . .
C27 C26 H26 107.3 . .
C25 C26 H26 107.3 . .
C28 C26 H26 107.3 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
N12 C29 N11 109.0(5) . .
N12 C29 C30 124.7(4) . .
N11 C29 C30 126.0(5) . .
C29 C30 C32 113.4(5) . .
C29 C30 C31 110.7(5) . .
C32 C30 C31 111.3(6) . .
C29 C30 H30 107.0 . .
C32 C30 H30 107.0 . .
C31 C30 H30 107.0 . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C30 C32 H32A 109.5 . .
C30 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C30 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
N13 C33 N15 112.4(4) . .
N13 C33 C34 121.5(4) . .
N15 C33 C34 126.1(4) . .
C35 C34 C33 113.9(4) . .
C35 C34 C36 113.7(6) . .
C33 C34 C36 108.6(5) . .
C35 C34 H34 106.7 . .
C33 C34 H34 106.7 . .
C36 C34 H34 106.7 . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C34 C36 H36A 109.5 . .
C34 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C34 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
N14 C37 N15 113.6(4) . .
N14 C37 C38 124.2(4) . .
N15 C37 C38 122.2(4) . .
C37 C38 C40 111.8(4) . .
C37 C38 C39 109.4(4) . .
C40 C38 C39 111.4(4) . .
C37 C38 H38 108.0 . .
C40 C38 H38 108.0 . .
C39 C38 H38 108.0 . .
C38 C39 H39A 109.5 . .
C38 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C38 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C38 C40 H40A 109.5 . .
C38 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C38 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
N16 C41 N18 112.1(5) . .
N16 C41 C42 121.9(4) . .
N18 C41 C42 125.9(4) . .
C43 C42 C44 113.6(6) . .
C43 C42 C41 111.9(6) . .
C44 C42 C41 113.5(5) . .
C43 C42 H42 105.7 . .
C44 C42 H42 105.7 . .
C41 C42 H42 105.7 . .
C42 C43 H43A 109.5 . .
C42 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C42 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C42 C44 H44A 109.5 . .
C42 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C42 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
N17 C45 N18 111.3(4) . .
N17 C45 C46 122.0(4) . .
N18 C45 C46 126.6(4) . .
C45 C46 C48 111.5(5) . .
C45 C46 C47 112.0(5) . .
C48 C46 C47 112.7(5) . .
C45 C46 H46 106.7 . .
C48 C46 H46 106.7 . .
C47 C46 H46 106.7 . .
C46 C47 H47A 109.5 . .
C46 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C46 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C46 C48 H48A 109.5 . .
C46 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C46 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
N19 C49 N21 114.4(4) . .
N19 C49 C50 119.4(5) . .
N21 C49 C50 125.9(5) . .
C51 C50 C49 110.5(6) . .
C51 C50 C52 114.7(6) . .
C49 C50 C52 113.8(5) . .
C51 C50 H50 105.6 . .
C49 C50 H50 105.6 . .
C52 C50 H50 105.6 . .
C50 C51 H51A 109.5 . .
C50 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C50 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C50 C52 H52A 109.5 . .
C50 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C50 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
N20 C53 N21 111.6(5) . .
N20 C53 C54 122.3(5) . .
N21 C53 C54 126.2(5) . .
C53 C54 C56 116.0(6) . .
C53 C54 C55 112.0(5) . .
C56 C54 C55 113.3(6) . .
C53 C54 H54 104.7 . .
C56 C54 H54 104.7 . .
C55 C54 H54 104.7 . .
C54 C55 H55A 109.5 . .
C54 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C54 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C54 C56 H56A 109.5 . .
C54 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C54 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
N22 C57 N24 112.1(4) . .
N22 C57 C58 122.6(4) . .
N24 C57 C58 125.2(4) . .
C60 C58 C59 120.4(5) . .
C60 C58 C57 115.6(6) . .
C59 C58 C57 112.2(5) . .
C60 C58 H58 101.5 . .
C59 C58 H58 101.5 . .
C57 C58 H58 101.5 . .
C58 C59 H59A 109.5 . .
C58 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C58 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C58 C60 H60A 109.5 . .
C58 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C58 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
N23 C61 N24 112.2(4) . .
N23 C61 C62 125.1(4) . .
N24 C61 C62 122.7(3) . .
C63 C62 C64 114.7(5) . .
C63 C62 C61 111.5(5) . .
C64 C62 C61 110.9(5) . .
C63 C62 H62 106.4 . .
C64 C62 H62 106.4 . .
C61 C62 H62 106.4 . .
C62 C63 H63A 109.5 . .
C62 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C62 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C62 C64 H64A 109.5 . .
C62 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
C62 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C66 C65 C70 120.0 . .
C66 C65 H65 120.0 . .
C70 C65 H65 120.0 . .
C65 C66 C67 120.0 . .
C65 C66 H66 120.0 . .
C67 C66 H66 120.0 . .
C68 C67 C66 120.0 . .
C68 C67 H67 120.0 . .
C66 C67 H67 120.0 . .
C69 C68 C67 120.0 . .
C69 C68 H68 120.0 . .
C67 C68 H68 120.0 . .
C70 C69 C68 120.0 . .
C70 C69 H69 120.0 . .
C68 C69 H69 120.0 . .
C69 C70 C65 120.0 . .
C69 C70 H70 120.0 . .
C65 C70 H70 120.0 . .
O1 C71 H71A 109.5 . .
O1 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
O1 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C71 O1 H1 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N4 2.193(4) .
Ag1 N1 2.197(4) .
Ag1 N7 2.546(3) .
Ag2 N2 2.132(4) .
Ag2 N13 2.160(4) .
Ag2 N7 2.546(4) .
Ag2 Ag4 3.3697(6) .
Ag3 N20 2.177(4) 3_566
Ag3 N5 2.183(4) .
Ag3 N8 2.577(4) .
Ag3 N10 2.591(4) 4_575
Ag4 N19 2.207(4) 3_566
Ag4 N14 2.214(4) .
Ag4 N11 2.482(4) 4_575
Ag4 N8 2.628(3) .
Ag5 N9 2.077(3) .
Ag5 N12 2.091(3) .
Ag6 N18 2.207(3) .
Ag6 N24 2.279(3) 4_565
Ag6 N15 2.374(4) .
Ag7 N22 2.196(3) .
Ag7 N21 2.239(4) .
Ag7 N16 2.308(4) .
Ag8 N23 2.209(3) .
Ag8 N3 2.257(4) 2_545
Ag8 N17 2.306(4) .
N1 C1 1.313(6) .
N1 N2 1.407(5) .
N2 C5 1.355(6) .
N3 C5 1.341(6) .
N3 C1 1.350(6) .
N3 Ag8 2.257(4) 2
N4 C9 1.296(6) .
N4 N5 1.372(6) .
N5 C13 1.321(7) .
N6 C13 1.313(7) .
N6 C9 1.386(7) .
N7 C17 1.298(5) .
N7 N8 1.408(6) .
N8 C21 1.319(5) .
N9 C21 1.337(6) .
N9 C17 1.387(6) .
N10 C25 1.323(6) .
N10 N11 1.359(6) .
N10 Ag3 2.591(4) 4_676
N11 C29 1.372(5) .
N11 Ag4 2.482(4) 4_676
N12 C25 1.350(7) .
N12 C29 1.363(7) .
N13 C33 1.308(5) .
N13 N14 1.398(5) .
N14 C37 1.304(6) .
N15 C37 1.363(6) .
N15 C33 1.377(6) .
N16 C41 1.298(6) .
N16 N17 1.383(6) .
N17 C45 1.323(5) .
N18 C41 1.344(6) .
N18 C45 1.352(6) .
N19 C49 1.301(6) .
N19 N20 1.389(6) .
N19 Ag4 2.207(4) 3_566
N20 C53 1.324(7) .
N20 Ag3 2.177(4) 3_566
N21 C49 1.335(6) .
N21 C53 1.364(6) .
N22 C57 1.327(5) .
N22 N23 1.374(5) .
N23 C61 1.310(5) .
N24 C57 1.349(6) .
N24 C61 1.360(5) .
N24 Ag6 2.279(3) 4_666
C1 C2 1.518(8) .
C2 C3 1.308(11) .
C2 C4 1.441(12) .
C2 H2 1.0000 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C6 1.491(7) .
C6 C8 1.506(8) .
C6 C7 1.544(7) .
C6 H6 1.0000 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.493(8) .
C10 C12 1.480(8) .
C10 C11 1.541(9) .
C10 H10 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.545(9) .
C14 C16 1.465(10) .
C14 C15 1.506(9) .
C14 H14 1.0000 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.502(8) .
C18 C19 1.377(10) .
C18 C20 1.520(9) .
C18 H18 1.0000 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C22 1.523(8) .
C22 C23 1.465(11) .
C22 C24 1.466(10) .
C22 H22 1.0000 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.495(9) .
C26 C27 1.492(11) .
C26 C28 1.526(12) .
C26 H26 1.0000 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C30 1.473(8) .
C30 C32 1.509(10) .
C30 C31 1.522(10) .
C30 H30 1.0000 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C34 1.497(7) .
C34 C35 1.496(9) .
C34 C36 1.518(8) .
C34 H34 1.0000 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 C38 1.511(7) .
C38 C40 1.531(6) .
C38 C39 1.553(8) .
C38 H38 1.0000 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 C42 1.537(8) .
C42 C43 1.470(9) .
C42 C44 1.479(8) .
C42 H42 1.0000 .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 C46 1.494(7) .
C46 C48 1.499(9) .
C46 C47 1.526(9) .
C46 H46 1.0000 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 C50 1.524(8) .
C50 C51 1.488(9) .
C50 C52 1.529(11) .
C50 H50 1.0000 .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 C54 1.478(8) .
C54 C56 1.483(9) .
C54 C55 1.538(9) .
C54 H54 1.0000 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 C58 1.521(7) .
C58 C60 1.428(9) .
C58 C59 1.481(10) .
C58 H58 1.0000 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 C62 1.508(7) .
C62 C63 1.484(9) .
C62 C64 1.503(9) .
C62 H62 1.0000 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 C66 1.3900 .
C65 C70 1.3900 .
C65 H65 0.9500 .
C66 C67 1.3900 .
C66 H66 0.9500 .
C67 C68 1.3900 .
C67 H67 0.9500 .
C68 C69 1.3900 .
C68 H68 0.9500 .
C69 C70 1.3900 .
C69 H69 0.9500 .
C70 H70 0.9500 .
C71 O1 1.57(2) .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
O1 H1 0.8400 .
