#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:25:55 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179480 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/77/4337798.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_4337798
loop_
_publ_author_name
'Xi, Xiaobing'
'Liu, Yan'
'Cui, Yong'
_publ_section_title
;
 Homochiral silver-based coordination polymers exhibiting
 temperature-dependent photoluminescence behavior.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2352
_journal_page_last               2354
_journal_paper_doi               10.1021/ic4027865
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C116 H112 Ag2 B2 F8 N8 O16'
_chemical_formula_weight         2263.50
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.8150(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   31.6945(7)
_cell_length_b                   18.9206(5)
_cell_length_c                   23.8228(5)
_cell_measurement_temperature    123(2)
_cell_volume                     13440.2(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.950
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_sigmaI/netI    0.0710
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16824
_diffrn_reflns_theta_full        52.50
_diffrn_reflns_theta_max         52.50
_diffrn_reflns_theta_min         5.03
_exptl_absorpt_coefficient_mu    2.893
_exptl_crystal_density_diffrn    1.119
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4672
_refine_diff_density_max         0.759
_refine_diff_density_min         -1.413
_refine_diff_density_rms         0.107
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.031(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1048
_refine_ls_number_reflns         9706
_refine_ls_number_restraints     121
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0868
_refine_ls_R_factor_gt           0.0730
_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)+(0.1682P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1995
_refine_ls_wR_factor_ref         0.2132
_reflns_number_gt                8206
_reflns_number_total             9706
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4027865_si_003.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      C2
_cod_database_code               4337798
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
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 0.64530(3) 0.86785(5) 0.99342(3) 0.0662(3) Uani 1 1 d D . .
Ag2 Ag 0.66929(3) 0.72255(5) 1.05610(4) 0.0693(3) Uani 1 1 d D . .
N2 N 0.7001(3) 0.8678(5) 0.5689(4) 0.057(2) Uani 1 1 d . . .
N3 N 0.6868(3) 0.9993(5) 0.2448(4) 0.059(3) Uani 1 1 d . . .
N6 N 0.6256(4) 0.6278(6) 1.4753(4) 0.067(3) Uani 1 1 d . . .
N7 N 0.5687(3) 0.7738(5) 1.7445(4) 0.057(2) Uani 1 1 d . . .
B1 B 0.7570(5) 0.8850(8) 0.1178(6) 0.062(4) Uani 1 1 d D . .
F1 F 0.7790(3) 0.9212(6) 0.1669(4) 0.1131(15) Uani 1 1 d . . .
F2 F 0.7222(3) 0.9310(6) 0.0837(4) 0.1131(15) Uani 1 1 d D . .
F3 F 0.7807(3) 0.8704(6) 0.0825(4) 0.1131(15) Uani 1 1 d . . .
F4 F 0.7339(3) 0.8283(6) 0.1287(4) 0.1131(15) Uani 1 1 d . . .
B2 B 0.5621(5) 0.6865(9) 0.9265(5) 0.066(4) Uani 1 1 d . . .
F5 F 0.5825(3) 0.7463(4) 0.9171(3) 0.088(2) Uani 1 1 d . . .
F6 F 0.5283(3) 0.7051(5) 0.9486(4) 0.090(2) Uani 1 1 d . . .
F7 F 0.5940(3) 0.6455(6) 0.9717(4) 0.106(3) Uani 1 1 d . . .
F8 F 0.5449(3) 0.6474(5) 0.8776(3) 0.101(3) Uani 1 1 d . . .
N1 N 0.6734(2) 0.8679(5) 0.9233(2) 0.063(3) Uani 1 1 d G . .
C1 C 0.64383(17) 0.8662(6) 0.8649(3) 0.078(4) Uani 1 1 d G . .
H1 H 0.6131 0.8626 0.8574 0.094 Uiso 1 1 calc R . .
C2 C 0.6601(2) 0.8700(6) 0.8176(2) 0.073(3) Uani 1 1 d G . .
H2 H 0.6403 0.8689 0.7785 0.087 Uiso 1 1 calc R . .
C3 C 0.7060(2) 0.8754(5) 0.8288(2) 0.058(3) Uani 1 1 d G . .
C4 C 0.73556(18) 0.8771(5) 0.8872(3) 0.065(3) Uani 1 1 d G . .
H4 H 0.7662 0.8807 0.8947 0.078 Uiso 1 1 calc R . .
C5 C 0.7193(2) 0.8733(5) 0.9345(2) 0.060(3) Uani 1 1 d G . .
H5 H 0.7391 0.8744 0.9736 0.072 Uiso 1 1 calc R . .
C12 C 0.8208(5) 0.9874(9) 0.7496(7) 0.089(4) Uani 1 1 d U . .
C6 C 0.7231(3) 0.8877(5) 0.7766(2) 0.060(3) Uani 1 1 d G . .
C7 C 0.6987(2) 0.8632(4) 0.7199(3) 0.060(3) Uani 1 1 d G . .
H7 H 0.6720 0.8386 0.7135 0.073 Uiso 1 1 calc R . .
C8 C 0.7140(2) 0.8755(5) 0.6726(2) 0.058(3) Uani 1 1 d G . .
C9 C 0.7538(3) 0.9123(5) 0.6821(3) 0.064(3) Uani 1 1 d G . .
C10 C 0.7782(2) 0.9368(5) 0.7388(3) 0.077(4) Uani 1 1 d G . .
C11 C 0.7628(3) 0.9245(5) 0.7861(2) 0.069(4) Uani 1 1 d G . .
H11 H 0.7792 0.9409 0.8241 0.083 Uiso 1 1 calc R . .
C13 C 0.8041(7) 1.0540(11) 0.7107(9) 0.113(2) Uani 1 1 d . . .
H13A H 0.8288 1.0855 0.7156 0.170 Uiso 1 1 calc R . .
H13B H 0.7817 1.0774 0.7229 0.170 Uiso 1 1 calc R . .
H13C H 0.7913 1.0404 0.6696 0.170 Uiso 1 1 calc R . .
C14 C 0.8572(6) 0.9497(11) 0.7350(9) 0.113(2) Uani 1 1 d . . .
H14A H 0.8821 0.9810 0.7408 0.170 Uiso 1 1 calc R . .
H14B H 0.8461 0.9344 0.6941 0.170 Uiso 1 1 calc R . .
H14C H 0.8667 0.9093 0.7606 0.170 Uiso 1 1 calc R . .
C15 C 0.8408(6) 1.0124(11) 0.8154(8) 0.113(2) Uani 1 1 d U . .
H15A H 0.8659 1.0429 0.8198 0.170 Uiso 1 1 calc R . .
H15B H 0.8505 0.9721 0.8410 0.170 Uiso 1 1 calc R . .
H15C H 0.8183 1.0376 0.8260 0.170 Uiso 1 1 calc R . .
C16 C 0.6879(4) 0.8534(6) 0.6141(5) 0.052(3) Uani 1 1 d . . .
H16 H 0.6616 0.8280 0.6083 0.063 Uiso 1 1 calc R . .
C17 C 0.6736(2) 0.8546(4) 0.5085(2) 0.051(3) Uani 1 1 d G . .
C18 C 0.69427(19) 0.8645(4) 0.4661(3) 0.058(3) Uani 1 1 d G . .
C19 C 0.6695(2) 0.8584(4) 0.4058(2) 0.051(3) Uani 1 1 d G . .
C20 C 0.6241(2) 0.8424(4) 0.3878(2) 0.051(3) Uani 1 1 d G . .
C21 C 0.60337(19) 0.8325(5) 0.4301(3) 0.062(3) Uani 1 1 d G . .
C22 C 0.6281(2) 0.8386(4) 0.4905(3) 0.056(3) Uani 1 1 d G . .
H22 H 0.6143 0.8320 0.5188 0.067 Uiso 1 1 calc R . .
C23 C 0.5537(4) 0.8135(8) 0.4126(5) 0.073(4) Uani 1 1 d . . .
H23A H 0.5459 0.8081 0.4479 0.110 Uiso 1 1 calc R . .
H23B H 0.5481 0.7700 0.3906 0.110 Uiso 1 1 calc R . .
H23C H 0.5359 0.8505 0.3882 0.110 Uiso 1 1 calc R . .
C24 C 0.5943(4) 0.8403(7) 0.3205(5) 0.063(3) Uani 1 1 d . . .
H24A H 0.6127 0.8484 0.2964 0.095 Uiso 1 1 calc R . .
H24B H 0.5718 0.8764 0.3126 0.095 Uiso 1 1 calc R . .
H24C H 0.5802 0.7949 0.3111 0.095 Uiso 1 1 calc R . .
C25 C 0.7533(5) 0.9493(8) 0.5002(6) 0.077(4) Uani 1 1 d D . .
H25A H 0.7314 0.9722 0.5144 0.093 Uiso 1 1 calc R . .
H25B H 0.7820 0.9502 0.5323 0.093 Uiso 1 1 calc R . .
C26 C 0.7952(6) 0.9651(12) 0.4316(9) 0.138(8) Uani 1 1 d D . .
H26A H 0.7956 0.9919 0.3976 0.208 Uiso 1 1 calc R . .
H26B H 0.7919 0.9158 0.4215 0.208 Uiso 1 1 calc R . .
H26C H 0.8227 0.9724 0.4641 0.208 Uiso 1 1 calc R . .
C27 C 0.6927(2) 0.8692(4) 0.3606(3) 0.052(3) Uani 1 1 d G . .
C28 C 0.6814(2) 0.9284(3) 0.3239(3) 0.056(3) Uani 1 1 d G . .
C29 C 0.7002(3) 0.9382(3) 0.2796(3) 0.054(3) Uani 1 1 d G . .
C30 C 0.7303(2) 0.8888(4) 0.2719(3) 0.054(3) Uani 1 1 d G . .
H30 H 0.7429 0.8954 0.2422 0.065 Uiso 1 1 calc R . .
C31 C 0.7416(2) 0.8296(4) 0.3085(3) 0.056(3) Uani 1 1 d GD . .
C32 C 0.7227(2) 0.8198(3) 0.3529(3) 0.058(3) Uani 1 1 d GD . .
C33 C 0.7344(4) 0.7544(7) 0.3938(5) 0.074(4) Uani 1 1 d D . .
H33A H 0.7551 0.7251 0.3830 0.110 Uiso 1 1 calc R . .
H33B H 0.7075 0.7281 0.3893 0.110 Uiso 1 1 calc R . .
H33C H 0.7477 0.7692 0.4345 0.110 Uiso 1 1 calc R . .
C34 C 0.7748(5) 0.7771(8) 0.2979(6) 0.085(4) Uani 1 1 d D . .
H34A H 0.7795 0.7387 0.3256 0.127 Uiso 1 1 calc R . .
H34B H 0.8028 0.8005 0.3035 0.127 Uiso 1 1 calc R . .
H34C H 0.7629 0.7593 0.2579 0.127 Uiso 1 1 calc R . .
C35 C 0.6657(5) 1.0444(7) 0.3558(6) 0.081(4) Uani 1 1 d DU . .
H35A H 0.6938 1.0567 0.3504 0.098 Uiso 0.56(4) 1 calc PR A 1
H35B H 0.6438 1.0809 0.3377 0.098 Uiso 0.56(4) 1 calc PR A 1
H35C H 0.6940 1.0388 0.3881 0.098 Uiso 0.44(4) 1 calc PR A 2
H35D H 0.6704 1.0758 0.3263 0.098 Uiso 0.44(4) 1 calc PR A 2
C36 C 0.6327(7) 1.0384(12) 0.4299(8) 0.128(6) Uani 1 1 d DU . .
H36A H 0.6081 1.0386 0.3928 0.192 Uiso 0.56(4) 1 calc PR A 1
H36B H 0.6313 1.0800 0.4523 0.192 Uiso 0.56(4) 1 calc PR A 1
H36C H 0.6308 0.9971 0.4524 0.192 Uiso 0.56(4) 1 calc PR A 1
H36D H 0.6134 0.9978 0.4190 0.192 Uiso 0.44(4) 1 calc PR A 2
H36E H 0.6215 1.0703 0.4529 0.192 Uiso 0.44(4) 1 calc PR A 2
H36F H 0.6624 1.0235 0.4532 0.192 Uiso 0.44(4) 1 calc PR A 2
C37 C 0.7058(4) 1.0188(7) 0.2072(4) 0.055(3) Uani 1 1 d . . .
H37 H 0.7291 0.9915 0.2032 0.066 Uiso 1 1 calc R . .
C38 C 0.6922(3) 1.0818(3) 0.1711(3) 0.057(3) Uani 1 1 d G . .
C39 C 0.6566(3) 1.1237(4) 0.1725(4) 0.069(4) Uani 1 1 d G . .
C40 C 0.6468(3) 1.1862(4) 0.1399(4) 0.077(4) Uani 1 1 d G . .
C41 C 0.6726(3) 1.2067(3) 0.1059(4) 0.074(4) Uani 1 1 d G . .
H41 H 0.6661 1.2485 0.0841 0.088 Uiso 1 1 calc R . .
C42 C 0.7083(3) 1.1649(4) 0.1044(3) 0.061(3) Uani 1 1 d G . .
C43 C 0.7181(2) 1.1024(4) 0.1370(3) 0.050(3) Uani 1 1 d G . .
H43 H 0.7419 1.0744 0.1360 0.061 Uiso 1 1 calc R . .
C44 C 0.6068(6) 1.2359(10) 0.1450(8) 0.104(5) Uani 1 1 d . . .
C45 C 0.5631(6) 1.1939(11) 0.1224(8) 0.113(2) Uani 1 1 d . . .
H45A H 0.5574 1.1801 0.0817 0.170 Uiso 1 1 calc R . .
H45B H 0.5387 1.2227 0.1246 0.170 Uiso 1 1 calc R . .
H45C H 0.5655 1.1525 0.1466 0.170 Uiso 1 1 calc R . .
C46 C 0.6150(6) 1.2558(11) 0.2102(8) 0.113(2) Uani 1 1 d . . .
H46A H 0.6161 1.2137 0.2331 0.170 Uiso 1 1 calc R . .
H46B H 0.5911 1.2856 0.2124 0.170 Uiso 1 1 calc R . .
H46C H 0.6430 1.2806 0.2259 0.170 Uiso 1 1 calc R . .
C47 C 0.6033(6) 1.3007(11) 0.1098(9) 0.113(2) Uani 1 1 d . . .
H47A H 0.5979 1.2885 0.0688 0.170 Uiso 1 1 calc R . .
H47B H 0.6307 1.3270 0.1249 0.170 Uiso 1 1 calc R . .
H47C H 0.5789 1.3290 0.1125 0.170 Uiso 1 1 calc R . .
C48 C 0.7377(2) 1.1878(4) 0.0694(3) 0.059(3) Uani 1 1 d G . .
C49 C 0.7181(2) 1.2110(5) 0.0110(3) 0.073(4) Uani 1 1 d G . .
H49 H 0.6872 1.2167 -0.0051 0.088 Uiso 1 1 calc R . .
C50 C 0.7447(2) 1.2257(5) -0.0235(2) 0.065(3) Uani 1 1 d G . .
H50 H 0.7315 1.2412 -0.0626 0.078 Uiso 1 1 calc R . .
N4 N 0.7909(2) 1.2172(4) 0.0005(3) 0.059(2) Uani 1 1 d G . .
C51 C 0.8106(2) 1.1940(4) 0.0589(2) 0.063(3) Uani 1 1 d G . .
H51 H 0.8415 1.1883 0.0750 0.076 Uiso 1 1 calc R . .
C52 C 0.7840(2) 1.1793(4) 0.0934(2) 0.056(3) Uani 1 1 d G . .
H52 H 0.7971 1.1638 0.1325 0.067 Uiso 1 1 calc R . .
C64 C 0.5125(4) 0.5032(8) 1.2846(5) 0.072(4) Uani 1 1 d D . .
N5 N 0.6348(2) 0.7159(4) 1.1202(2) 0.061(3) Uani 1 1 d G . .
C53 C 0.6589(2) 0.7357(4) 1.1785(3) 0.064(3) Uani 1 1 d G . .
H53 H 0.6858 0.7603 1.1868 0.077 Uiso 1 1 calc R . .
C54 C 0.6430(2) 0.7188(4) 1.2244(2) 0.056(3) Uani 1 1 d G . .
H54 H 0.6591 0.7320 1.2634 0.067 Uiso 1 1 calc R . .
C55 C 0.6029(3) 0.6820(5) 1.2121(2) 0.058(3) Uani 1 1 d G . .
C56 C 0.5788(2) 0.6621(5) 1.1538(3) 0.071(4) Uani 1 1 d G . .
H56 H 0.5520 0.6375 1.1456 0.085 Uiso 1 1 calc R . .
C57 C 0.5948(2) 0.6791(4) 1.1079(2) 0.068(4) Uani 1 1 d G . .
H57 H 0.5786 0.6658 1.0689 0.082 Uiso 1 1 calc R . .
C65 C 0.4889(5) 0.4942(9) 1.2171(6) 0.091(5) Uani 1 1 d D . .
H65A H 0.5107 0.4829 1.1986 0.137 Uiso 1 1 calc R . .
H65B H 0.4739 0.5373 1.2005 0.137 Uiso 1 1 calc R . .
H65C H 0.4673 0.4566 1.2100 0.137 Uiso 1 1 calc R . .
C58 C 0.5893(3) 0.6514(4) 1.2639(2) 0.056(3) Uani 1 1 d G . .
C59 C 0.6134(2) 0.6702(4) 1.3224(3) 0.057(3) Uani 1 1 d G . .
H59 H 0.6351 0.7055 1.3301 0.068 Uiso 1 1 calc R . .
C60 C 0.6052(3) 0.6364(4) 1.3694(2) 0.065(3) Uani 1 1 d G . .
C61 C 0.5728(3) 0.5836(4) 1.3579(3) 0.068(3) Uani 1 1 d G . .
C62 C 0.5487(2) 0.5648(4) 1.2994(3) 0.062(3) Uani 1 1 d G . .
C63 C 0.5569(2) 0.5986(4) 1.2524(2) 0.061(3) Uani 1 1 d G . .
H63 H 0.5408 0.5860 1.2133 0.074 Uiso 1 1 calc R . .
C66 C 0.5347(5) 0.4362(9) 1.3113(8) 0.099(5) Uani 1 1 d . . .
H66A H 0.5574 0.4245 1.2946 0.148 Uiso 1 1 calc R . .
H66B H 0.5128 0.3990 1.3029 0.148 Uiso 1 1 calc R . .
H66C H 0.5482 0.4419 1.3537 0.148 Uiso 1 1 calc R . .
C67 C 0.4759(4) 0.5238(11) 1.3127(6) 0.099(6) Uani 1 1 d D . .
H67A H 0.4534 0.4875 1.3042 0.148 Uiso 1 1 calc R . .
H67B H 0.4622 0.5678 1.2960 0.148 Uiso 1 1 calc R . .
H67C H 0.4897 0.5287 1.3551 0.148 Uiso 1 1 calc R . .
C68 C 0.6310(4) 0.6549(7) 1.4306(5) 0.064(3) Uani 1 1 d . . .
H68 H 0.6530 0.6895 1.4368 0.077 Uiso 1 1 calc R . .
C69 C 0.6533(3) 0.6476(5) 1.5351(2) 0.061(3) Uani 1 1 d G . .
C70 C 0.6342(2) 0.6432(5) 1.5796(3) 0.062(3) Uani 1 1 d G . .
C71 C 0.6595(2) 0.6600(5) 1.6382(3) 0.057(3) Uani 1 1 d G . .
C72 C 0.7039(2) 0.6812(5) 1.6522(3) 0.059(3) Uani 1 1 d G . .
C73 C 0.7229(2) 0.6856(5) 1.6077(3) 0.071(4) Uani 1 1 d G . .
C74 C 0.6977(3) 0.6688(5) 1.5492(3) 0.069(4) Uani 1 1 d G . .
H74 H 0.7104 0.6717 1.5194 0.083 Uiso 1 1 calc R . .
C75 C 0.7713(4) 0.7099(9) 1.6221(7) 0.090(5) Uani 1 1 d . . .
H75A H 0.7787 0.7102 1.5862 0.134 Uiso 1 1 calc R . .
H75B H 0.7910 0.6781 1.6504 0.134 Uiso 1 1 calc R . .
H75C H 0.7746 0.7566 1.6387 0.134 Uiso 1 1 calc R . .
C76 C 0.7337(4) 0.6955(8) 1.7160(5) 0.074(4) Uani 1 1 d . . .
H76A H 0.7165 0.6905 1.7421 0.111 Uiso 1 1 calc R . .
H76B H 0.7453 0.7427 1.7190 0.111 Uiso 1 1 calc R . .
H76C H 0.7581 0.6624 1.7273 0.111 Uiso 1 1 calc R . .
C77 C 0.5838(5) 0.5534(8) 1.5825(6) 0.0897(17) Uani 1 1 d DU . .
H77A H 0.5550 0.5498 1.5883 0.108 Uiso 1 1 calc R . .
H77B H 0.6070 0.5440 1.6205 0.108 Uiso 1 1 calc R . .
C79 C 0.6380(2) 0.6567(4) 1.6861(3) 0.051(3) Uani 1 1 d G . .
C80 C 0.6116(2) 0.7129(3) 1.6919(3) 0.055(3) Uani 1 1 d G . .
C81 C 0.5940(2) 0.7134(3) 1.7381(3) 0.050(3) Uani 1 1 d G . .
C82 C 0.6030(2) 0.6576(4) 1.7785(2) 0.052(3) Uani 1 1 d G . .
H82 H 0.5912 0.6580 1.8093 0.063 Uiso 1 1 calc R . .
C83 C 0.6294(2) 0.6014(3) 1.7727(3) 0.051(3) Uani 1 1 d G . .
C84 C 0.6470(2) 0.6010(3) 1.7265(3) 0.052(3) Uani 1 1 d G . .
C85 C 0.6750(5) 0.5382(7) 1.7191(6) 0.069(3) Uani 1 1 d . . .
H85A H 0.6781 0.5047 1.7505 0.103 Uiso 1 1 calc R . .
H85B H 0.7041 0.5545 1.7208 0.103 Uiso 1 1 calc R . .
H85C H 0.6603 0.5160 1.6812 0.103 Uiso 1 1 calc R . .
C86 C 0.6369(4) 0.5395(7) 1.8178(5) 0.062(3) Uani 1 1 d . . .
H86A H 0.6555 0.5042 1.8089 0.093 Uiso 1 1 calc R . .
H86B H 0.6085 0.5190 1.8148 0.093 Uiso 1 1 calc R . .
H86C H 0.6514 0.5569 1.8576 0.093 Uiso 1 1 calc R . .
C87 C 0.5591(4) 0.7700(9) 1.6114(5) 0.0897(17) Uani 1 1 d DU . .
H87A H 0.5500 0.7236 1.5942 0.108 Uiso 1 1 calc R . .
H87B H 0.5384 0.7851 1.6310 0.108 Uiso 1 1 calc R . .
C88 C 0.5608(6) 0.8925(8) 1.5869(7) 0.107(4) Uani 1 1 d DU . .
H88A H 0.5416 0.9216 1.5556 0.161 Uiso 1 1 calc R . .
H88B H 0.5910 0.9099 1.5983 0.161 Uiso 1 1 calc R . .
H88C H 0.5508 0.8939 1.6207 0.161 Uiso 1 1 calc R . .
C89 C 0.5415(4) 0.7707(7) 1.7739(5) 0.059(3) Uani 1 1 d . . .
H89 H 0.5358 0.7273 1.7883 0.070 Uiso 1 1 calc R . .
C90 C 0.5193(2) 0.8343(3) 1.7850(3) 0.054(3) Uani 1 1 d G . .
C91 C 0.5231(2) 0.8990(4) 1.7595(3) 0.059(3) Uani 1 1 d G . .
C92 C 0.4998(3) 0.9574(3) 1.7692(3) 0.070(4) Uani 1 1 d GD . .
C93 C 0.4728(2) 0.9511(3) 1.8043(3) 0.053(3) Uani 1 1 d G . .
H93 H 0.4573 0.9902 1.8107 0.064 Uiso 1 1 calc R . .
C94 C 0.4691(2) 0.8864(3) 1.8298(3) 0.049(3) Uani 1 1 d G . .
C95 C 0.4923(2) 0.8279(3) 1.8201(3) 0.046(3) Uani 1 1 d G . .
H95 H 0.4898 0.7846 1.8372 0.055 Uiso 1 1 calc R . .
C96 C 0.5032(5) 1.0321(7) 1.7404(6) 0.080(4) Uani 1 1 d D . .
C97 C 0.4870(7) 1.0253(10) 1.6710(6) 0.110(6) Uani 1 1 d D . .
H97A H 0.4890 1.0706 1.6538 0.165 Uiso 1 1 calc R . .
H97B H 0.4564 1.0093 1.6567 0.165 Uiso 1 1 calc R . .
H97C H 0.5056 0.9920 1.6599 0.165 Uiso 1 1 calc R . .
C98 C 0.5537(5) 1.0536(9) 1.7647(9) 0.121(7) Uani 1 1 d D . .
H98A H 0.5574 1.0987 1.7485 0.181 Uiso 1 1 calc R . .
H98B H 0.5711 1.0188 1.7530 0.181 Uiso 1 1 calc R . .
H98C H 0.5636 1.0565 1.8074 0.181 Uiso 1 1 calc R . .
C99 C 0.4746(6) 1.0874(8) 1.7561(9) 0.109(6) Uani 1 1 d . . .
H99A H 0.4775 1.1316 1.7378 0.163 Uiso 1 1 calc R . .
H99B H 0.4843 1.0931 1.7986 0.163 Uiso 1 1 calc R . .
H99C H 0.4438 1.0726 1.7417 0.163 Uiso 1 1 calc R . .
C100 C 0.44128(19) 0.8812(4) 1.8702(2) 0.059(3) Uani 1 1 d G . .
C101 C 0.4562(2) 0.8395(4) 1.9212(3) 0.059(3) Uani 1 1 d G . .
H101 H 0.4832 0.8153 1.9305 0.071 Uiso 1 1 calc R . .
C102 C 0.4306(2) 0.8340(4) 1.9583(2) 0.059(3) Uani 1 1 d G . .
H102 H 0.4406 0.8061 1.9924 0.071 Uiso 1 1 calc R . .
N8 N 0.3902(2) 0.8702(4) 1.9444(2) 0.059(2) Uani 1 1 d G . .
C103 C 0.3753(2) 0.9119(4) 1.8934(3) 0.065(3) Uani 1 1 d G . .
H103 H 0.3483 0.9361 1.8841 0.078 Uiso 1 1 calc R . .
C104 C 0.4009(2) 0.9173(4) 1.8563(3) 0.065(3) Uani 1 1 d G . .
H104 H 0.3909 0.9452 1.8221 0.078 Uiso 1 1 calc R . .
O1 O 0.7692(3) 0.9230(6) 0.6379(4) 0.078(3) Uani 1 1 d . . .
O2 O 0.7399(3) 0.8757(5) 0.4848(3) 0.063(2) Uani 1 1 d . . .
O3 O 0.7569(4) 0.9885(7) 0.4496(5) 0.111(4) Uani 1 1 d D . .
O4 O 0.6495(3) 0.9742(4) 0.3282(3) 0.060(2) Uani 1 1 d . A .
O5 O 0.6720(7) 1.0375(10) 0.4189(6) 0.100(9) Uani 0.56(4) 1 d PDU A 1
O6 O 0.6318(3) 1.1018(5) 0.2065(4) 0.084(3) Uani 1 1 d . . .
O7 O 0.5664(3) 0.5488(6) 1.4035(4) 0.090(3) Uani 1 1 d D . .
C78 C 0.5494(3) 0.5064(10) 1.4915(5) 0.107 Uani 1 1 d DU . .
H78A H 0.5364 0.5522 1.4912 0.161 Uiso 1 1 calc R . .
H78B H 0.5282 0.4707 1.4925 0.161 Uiso 1 1 calc R . .
H78C H 0.5572 0.5006 1.4562 0.161 Uiso 1 1 calc R . .
O11 O 0.5593(3) 0.8197(6) 1.5657(4) 0.093 Uani 1 1 d DU . .
O8 O 0.5890(3) 0.6225(7) 1.5644(3) 0.092 Uani 1 1 d U . .
O9 O 0.5861(3) 0.5002(6) 1.5395(4) 0.093 Uani 1 1 d DU . .
O10 O 0.6043(2) 0.7677(5) 1.6533(3) 0.067 Uani 1 1 d DU . .
O5A O 0.6337(7) 1.0730(11) 0.3776(9) 0.094 Uani 0.44 1 d PDU A 2
O14 O 0.8299(10) 1.0081(18) 1.0177(14) 0.270 Uiso 1 1 d D . .
C109 C 0.8392(16) 1.0154(15) 0.9592(18) 0.276 Uiso 1 1 d D . .
C110 C 0.8417(6) 0.9362(10) 0.9483(8) 0.104 Uiso 1 1 d D . .
C111 C 0.8490(10) 0.8960(16) 1.0029(11) 0.188 Uiso 1 1 d D . .
C112 C 0.8636(10) 0.9517(16) 1.0522(13) 0.186 Uiso 1 1 d D . .
O15 O 0.6061(6) -0.0077(10) 0.9490(8) 0.163 Uiso 1 1 d D . .
C113 C 0.6267(10) 0.0555(15) 0.9849(14) 0.192 Uiso 1 1 d D . .
C114 C 0.5969(15) 0.091(3) 1.014(2) 0.324 Uiso 1 1 d D . .
C115 C 0.5505(12) 0.062(3) 0.975(2) 0.319 Uiso 1 1 d D . .
C116 C 0.5572(8) 0.0050(18) 0.9346(14) 0.177 Uiso 1 1 d D . .
O16 O 0.6188(19) 0.259(4) 0.875(2) 0.263 Uiso 0.50 1 d P . .
O17 O 0.639(2) 0.282(4) 0.465(3) 0.271 Uiso 0.50 1 d P . .
O12 O 0.5486(3) 0.9043(5) 1.7242(4) 0.070 Uani 1 1 d . . .
O13 O 0.7725(12) 0.651(2) 0.1812(13) 0.300 Uiso 1 1 d D . .
C105 C 0.7442(9) 0.6189(15) 0.1242(12) 0.152 Uiso 1 1 d D . .
C106 C 0.7694(12) 0.568(2) 0.0975(17) 0.226 Uiso 1 1 d D . .
C107 C 0.8156(12) 0.579(2) 0.1396(19) 0.263 Uiso 1 1 d D . .
C108 C 0.8150(13) 0.652(3) 0.1653(19) 0.287 Uiso 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 Ag1 N8 173.3(17) . 2_658
N1 Ag1 Ag2 106.1(2) . .
N8 Ag1 Ag2 78(3) 2_658 .
N4 Ag2 N5 172(3) 4_646 .
N4 Ag2 Ag1 81(3) 4_646 .
N5 Ag2 Ag1 107.0(2) . .
C16 N2 C17 124.5(9) . .
C37 N3 C29 121.7(10) . .
C68 N6 C69 121.6(12) . .
C89 N7 C81 121.7(10) . .
F1 B1 F3 114.9(12) . .
F1 B1 F4 113.0(11) . .
F3 B1 F4 114.1(12) . .
F1 B1 F2 105.2(11) . .
F3 B1 F2 105.0(11) . .
F4 B1 F2 103.1(11) . .
F8 B2 F5 113.4(10) . .
F8 B2 F6 109.4(12) . .
F5 B2 F6 108.8(12) . .
F8 B2 F7 109.5(13) . .
F5 B2 F7 108.8(12) . .
F6 B2 F7 106.8(10) . .
C1 N1 C5 120.0 . .
C1 N1 Ag1 117.6(3) . .
C5 N1 Ag1 122.3(3) . .
N1 C1 C2 120.0 . .
C3 C2 C1 120.0 . .
C2 C3 C4 120.0 . .
C2 C3 C6 119.3(5) . .
C4 C3 C6 120.3(5) . .
C5 C4 C3 120.0 . .
C4 C5 N1 120.0 . .
C14 C12 C13 112.6(14) . .
C14 C12 C15 107.3(14) . .
C13 C12 C15 107.2(15) . .
C14 C12 C10 110.7(13) . .
C13 C12 C10 106.9(13) . .
C15 C12 C10 112.1(11) . .
C7 C6 C11 120.0 . .
C7 C6 C3 120.4(5) . .
C11 C6 C3 119.6(5) . .
C6 C7 C8 120.0 . .
C9 C8 C7 120.0 . .
C9 C8 C16 120.1(6) . .
C7 C8 C16 119.8(6) . .
O1 C9 C8 120.6(6) . .
O1 C9 C10 119.4(6) . .
C8 C9 C10 120.0 . .
C11 C10 C9 120.0 . .
C11 C10 C12 118.6(7) . .
C9 C10 C12 121.0(7) . .
C10 C11 C6 120.0 . .
N2 C16 C8 121.0(10) . .
C18 C17 C22 120.0 . .
C18 C17 N2 116.7(5) . .
C22 C17 N2 123.0(5) . .
O2 C18 C19 120.7(5) . .
O2 C18 C17 119.2(5) . .
C19 C18 C17 120.0 . .
C20 C19 C18 120.0 . .
C20 C19 C27 120.9(5) . .
C18 C19 C27 119.1(5) . .
C19 C20 C21 120.0 . .
C19 C20 C24 121.6(6) . .
C21 C20 C24 118.2(6) . .
C20 C21 C22 120.0 . .
C20 C21 C23 121.9(6) . .
C22 C21 C23 118.1(6) . .
C21 C22 C17 120.0 . .
O3 C25 O2 112.0(11) . .
C28 C27 C32 120.0 . .
C28 C27 C19 118.3(5) . .
C32 C27 C19 121.6(5) . .
O4 C28 C29 119.5(5) . .
O4 C28 C27 120.3(5) . .
C29 C28 C27 120.0 . .
C28 C29 C30 120.0 . .
C28 C29 N3 115.9(6) . .
C30 C29 N3 124.1(6) . .
C31 C30 C29 120.0 . .
C32 C31 C30 120.0 . .
C32 C31 C34 122.4(6) . .
C30 C31 C34 117.6(6) . .
C31 C32 C27 120.0 . .
C31 C32 C33 121.0(6) . .
C27 C32 C33 119.0(6) . .
O5A C35 O5 60.8(13) . .
O5A C35 O4 108.9(14) . .
O5 C35 O4 106.3(12) . .
O5 C36 O5A 62.7(13) . .
N3 C37 C38 122.2(11) . .
C39 C38 C43 120.0 . .
C39 C38 C37 122.3(6) . .
C43 C38 C37 117.5(6) . .
O6 C39 C38 118.4(6) . .
O6 C39 C40 121.6(6) . .
C38 C39 C40 120.0 . .
C41 C40 C39 120.0 . .
C41 C40 C44 120.9(7) . .
C39 C40 C44 119.1(7) . .
C40 C41 C42 120.0 . .
C43 C42 C41 120.0 . .
C43 C42 C48 119.3(5) . .
C41 C42 C48 120.6(5) . .
C42 C43 C38 120.0 . .
C47 C44 C45 110.4(16) . .
C47 C44 C46 109.2(16) . .
C45 C44 C46 107.9(13) . .
C47 C44 C40 110.7(12) . .
C45 C44 C40 108.1(14) . .
C46 C44 C40 110.5(13) . .
C49 C48 C52 120.0 . .
C49 C48 C42 119.5(5) . .
C52 C48 C42 120.2(4) . .
C50 C49 C48 120.0 . .
C49 C50 N4 120.0 . .
C51 N4 C50 120.0 . .
C51 N4 Ag2 119.2(2) . 4_656
C50 N4 Ag2 120.0(3) . 4_656
C52 C51 N4 120.0 . .
C51 C52 C48 120.0 . .
C66 C64 C65 110.2(13) . .
C66 C64 C67 109.8(12) . .
C65 C64 C67 107.8(10) . .
C66 C64 C62 109.2(10) . .
C65 C64 C62 112.0(10) . .
C67 C64 C62 107.8(11) . .
C53 N5 C57 120.0 . .
C53 N5 Ag2 116.8(3) . .
C57 N5 Ag2 121.6(3) . .
N5 C53 C54 120.0 . .
C55 C54 C53 120.0 . .
C56 C55 C54 120.0 . .
C56 C55 C58 119.1(5) . .
C54 C55 C58 119.9(5) . .
C55 C56 C57 120.0 . .
C56 C57 N5 120.0 . .
C59 C58 C63 120.0 . .
C59 C58 C55 119.7(5) . .
C63 C58 C55 119.8(5) . .
C58 C59 C60 120.0 . .
C61 C60 C59 120.0 . .
C61 C60 C68 119.9(7) . .
C59 C60 C68 120.1(7) . .
O7 C61 C60 119.7(7) . .
O7 C61 C62 120.2(7) . .
C60 C61 C62 120.0 . .
C63 C62 C61 120.0 . .
C63 C62 C64 118.6(6) . .
C61 C62 C64 121.4(6) . .
C62 C63 C58 120.0 . .
N6 C68 C60 124.5(13) . .
C70 C69 C74 120.0 . .
C70 C69 N6 117.4(6) . .
C74 C69 N6 122.6(6) . .
C69 C70 C71 120.0 . .
C69 C70 O8 119.2(5) . .
C71 C70 O8 120.8(5) . .
C70 C71 C72 120.0 . .
C70 C71 C79 119.6(5) . .
C72 C71 C79 120.4(5) . .
C73 C72 C71 120.0 . .
C73 C72 C76 117.9(7) . .
C71 C72 C76 122.0(7) . .
C72 C73 C74 120.0 . .
C72 C73 C75 120.8(7) . .
C74 C73 C75 119.2(7) . .
C73 C74 C69 120.0 . .
O8 C77 O9 112.9(10) . .
C80 C79 C84 120.0 . .
C80 C79 C71 118.9(5) . .
C84 C79 C71 120.9(5) . .
O10 C80 C81 120.7(5) . .
O10 C80 C79 119.3(5) . .
C81 C80 C79 120.0 . .
C80 C81 C82 120.0 . .
C80 C81 N7 118.5(5) . .
C82 C81 N7 121.4(5) . .
C83 C82 C81 120.0 . .
C84 C83 C82 120.0 . .
C84 C83 C86 122.3(6) . .
C82 C83 C86 117.7(6) . .
C83 C84 C79 120.0 . .
C83 C84 C85 120.0(6) . .
C79 C84 C85 119.9(6) . .
O11 C87 O10 106.5(9) . .
N7 C89 C90 120.9(11) . .
C91 C90 C95 120.0 . .
C91 C90 C89 121.9(6) . .
C95 C90 C89 118.0(6) . .
O12 C91 C92 120.4(6) . .
O12 C91 C90 119.6(6) . .
C92 C91 C90 120.0 . .
C91 C92 C93 120.0 . .
C91 C92 C96 121.2(6) . .
C93 C92 C96 118.8(6) . .
C94 C93 C92 120.0 . .
C93 C94 C95 120.0 . .
C93 C94 C100 119.3(5) . .
C95 C94 C100 120.6(5) . .
C94 C95 C90 120.0 . .
C99 C96 C98 110.7(14) . .
C99 C96 C97 107.9(13) . .
C98 C96 C97 110.0(13) . .
C99 C96 C92 112.0(10) . .
C98 C96 C92 106.5(10) . .
C97 C96 C92 109.7(11) . .
C101 C100 C104 120.0 . .
C101 C100 C94 119.7(5) . .
C104 C100 C94 120.3(5) . .
C102 C101 C100 120.0 . .
C101 C102 N8 120.0 . .
C102 N8 C103 120.0 . .
C102 N8 Ag1 118.8(3) . 2_658
C103 N8 Ag1 120.9(3) . 2_658
C104 C103 N8 120.0 . .
C103 C104 C100 120.0 . .
C18 O2 C25 114.3(9) . .
C25 O3 C26 112.9(13) . .
C28 O4 C35 116.5(8) . .
C36 O5 C35 112.7(15) . .
C87 O11 C88 111.3(11) . .
C77 O8 C70 113.3(10) . .
C78 O9 C77 107.8(10) . .
C80 O10 C87 113.2(8) . .
C35 O5A C36 112.5(15) . .
C109 O14 C112 104(3) . .
O14 C109 C110 96(2) . .
C111 C110 C109 111(2) . .
C110 C111 C112 104(2) . .
C111 C112 O14 95(2) . .
C113 O15 C116 103(2) . .
O15 C113 C114 114(2) . .
C113 C114 C115 100.5(17) . .
C116 C115 C114 109(2) . .
O15 C116 C115 109(2) . .
C105 O13 C108 95(3) . .
O13 C105 C106 114(3) . .
C107 C106 C105 100(2) . .
C106 C107 C108 104.4(18) . .
C107 C108 O13 103(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.143(4) .
Ag1 N8 2.143(16) 2_658
Ag1 Ag2 3.0976(13) .
Ag2 N4 2.14(2) 4_646
Ag2 N5 2.162(4) .
N2 C16 1.291(13) .
N2 C17 1.420(10) .
N3 C37 1.292(14) .
N3 C29 1.402(11) .
N6 C68 1.244(14) .
N6 C69 1.445(12) .
N7 C89 1.282(14) .
N7 C81 1.435(11) .
B1 F1 1.332(16) .
B1 F3 1.332(16) .
B1 F4 1.372(17) .
B1 F2 1.423(14) .
B2 F8 1.330(16) .
B2 F5 1.359(19) .
B2 F6 1.392(17) .
B2 F7 1.430(17) .
N1 C1 1.3900 .
N1 C5 1.3900 .
C1 C2 1.3900 .
C2 C3 1.3900 .
C3 C4 1.3900 .
C3 C6 1.532(6) .
C4 C5 1.3900 .
C12 C14 1.49(2) .
C12 C13 1.55(3) .
C12 C15 1.55(2) .
C12 C10 1.602(15) .
C6 C7 1.3900 .
C6 C11 1.3900 .
C7 C8 1.3900 .
C8 C9 1.3900 .
C8 C16 1.422(12) .
C9 O1 1.318(8) .
C9 C10 1.3900 .
C10 C11 1.3900 .
C17 C18 1.3900 .
C17 C22 1.3900 .
C18 O2 1.376(9) .
C18 C19 1.3900 .
C19 C20 1.3900 .
C19 C27 1.509(6) .
C20 C21 1.3900 .
C20 C24 1.560(12) .
C21 C22 1.3900 .
C21 C23 1.528(13) .
C25 O3 1.453(14) .
C25 O2 1.467(17) .
C26 O3 1.484(16) .
C27 C28 1.3900 .
C27 C32 1.3900 .
C28 O4 1.361(9) .
C28 C29 1.3900 .
C29 C30 1.3900 .
C30 C31 1.3900 .
C31 C32 1.3900 .
C31 C34 1.530(12) .
C32 C33 1.541(11) .
C35 O5A 1.398(13) .
C35 O5 1.456(12) .
C35 O4 1.494(16) .
C36 O5 1.356(17) .
C36 O5A 1.418(14) .
C37 C38 1.448(13) .
C38 C39 1.3900 .
C38 C43 1.3900 .
C39 O6 1.369(10) .
C39 C40 1.3900 .
C40 C41 1.3900 .
C40 C44 1.616(17) .
C41 C42 1.3900 .
C42 C43 1.3900 .
C42 C48 1.510(7) .
C44 C47 1.47(3) .
C44 C45 1.53(3) .
C44 C46 1.53(2) .
C48 C49 1.3900 .
C48 C52 1.3900 .
C49 C50 1.3900 .
C50 N4 1.3900 .
N4 C51 1.3900 .
N4 Ag2 2.137(5) 4_656
C51 C52 1.3900 .
C64 C66 1.48(2) .
C64 C65 1.536(14) .
C64 C67 1.574(14) .
C64 C62 1.588(15) .
N5 C53 1.3900 .
N5 C57 1.3900 .
C53 C54 1.3900 .
C54 C55 1.3900 .
C55 C56 1.3900 .
C55 C58 1.550(6) .
C56 C57 1.3900 .
C58 C59 1.3900 .
C58 C63 1.3900 .
C59 C60 1.3900 .
C60 C61 1.3900 .
C60 C68 1.453(13) .
C61 O7 1.344(9) .
C61 C62 1.3900 .
C62 C63 1.3900 .
C69 C70 1.3900 .
C69 C74 1.3900 .
C70 C71 1.3900 .
C70 O8 1.408(11) .
C71 C72 1.3900 .
C71 C79 1.516(6) .
C72 C73 1.3900 .
C72 C76 1.518(14) .
C73 C74 1.3900 .
C73 C75 1.523(14) .
C77 O8 1.404(19) .
C77 O9 1.456(14) .
C79 C80 1.3900 .
C79 C84 1.3900 .
C80 O10 1.353(9) .
C80 C81 1.3900 .
C81 C82 1.3900 .
C82 C83 1.3900 .
C83 C84 1.3900 .
C83 C86 1.554(12) .
C84 C85 1.528(14) .
C87 O11 1.441(11) .
C87 O10 1.443(13) .
C88 O11 1.463(13) .
C89 C90 1.462(14) .
C90 C91 1.3900 .
C90 C95 1.3900 .
C91 O12 1.355(8) .
C91 C92 1.3900 .
C92 C93 1.3900 .
C92 C96 1.589(12) .
C93 C94 1.3900 .
C94 C95 1.3900 .
C94 C100 1.513(6) .
C96 C99 1.51(2) .
C96 C98 1.558(16) .
C96 C97 1.562(15) .
C100 C101 1.3900 .
C100 C104 1.3900 .
C101 C102 1.3900 .
C102 N8 1.3900 .
N8 C103 1.3900 .
N8 Ag1 2.143(4) 2_658
C103 C104 1.3900 .
C78 O9 1.331(12) .
O14 C109 1.52(2) .
O14 C112 1.534(19) .
C109 C110 1.53(2) .
C110 C111 1.457(18) .
C111 C112 1.529(19) .
O15 C113 1.486(19) .
O15 C116 1.490(18) .
C113 C114 1.51(2) .
C114 C115 1.55(2) .
C115 C116 1.51(2) .
O13 C105 1.476(19) .
O13 C108 1.52(2) .
C105 C106 1.52(2) .
C106 C107 1.48(2) .
C107 C108 1.51(2) .
