#------------------------------------------------------------------------------
#$Date: 2019-11-17 05:32:49 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228153 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/09/7120994.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_7120994
loop_
_publ_author_name
'Roy, Matthew M. D.'
'Ferguson, Michael J.'
'McDonald, Robert'
'Rivard, Eric'
_publ_section_title
;
 Approaching monocoordination at a silver(i) cation.
;
_journal_issue                   5
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              483
_journal_page_last               486
_journal_paper_doi               10.1039/c7cc08418h
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C32 H12 B F24, C50 H44 Ag N2, 1.5(C9 H12)'
_chemical_formula_sum            'C95.5 H74 Ag B F24 N2'
_chemical_formula_weight         1824.24
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-10-31 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                93.9117(15)
_cell_angle_beta                 100.4578(16)
_cell_angle_gamma                99.6917(14)
_cell_formula_units_Z            2
_cell_length_a                   13.0012(3)
_cell_length_b                   16.8587(4)
_cell_length_c                   20.2367(5)
_cell_measurement_reflns_used    9851
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      72.85
_cell_measurement_theta_min      3.52
_cell_volume                     4277.23(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2015)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0466
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            30571
_diffrn_reflns_point_group_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         74.037
_diffrn_reflns_theta_min         2.232
_exptl_absorpt_coefficient_mu    2.767
_exptl_absorpt_correction_T_max  0.9851
_exptl_absorpt_correction_T_min  0.4537
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS 2016/2 (Krause et al., 2015)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_description       plate
_exptl_crystal_F_000             1858
_exptl_crystal_size_max          0.464
_exptl_crystal_size_mid          0.277
_exptl_crystal_size_min          0.028
_refine_diff_density_max         0.825
_refine_diff_density_min         -0.909
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1151
_refine_ls_number_reflns         16677
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0581
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1181P)²+1.3067P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1707
_refine_ls_wR_factor_ref         0.1820
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13630
_reflns_number_total             16677
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7cc08418h2.cif
_cod_data_source_block           riv17c8
_cod_depositor_comments
'Adding full bibliography for 7120993--7120998.cif.'
_cod_original_formula_sum        'C95.50 H74 Ag B F24 N2'
_cod_database_code               7120994
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.360
_shelx_estimated_absorpt_t_max   0.927
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag -0.04521(2) 0.32069(2) 0.26366(2) 0.05654(10) Uani 1 1 d . . . . .
N1 N 0.12160(17) 0.30133(13) 0.38953(12) 0.0344(4) Uani 1 1 d . . . . .
N2 N 0.14719(19) 0.23080(14) 0.30381(13) 0.0410(5) Uani 1 1 d . . . . .
C1 C 0.0837(2) 0.28068(16) 0.32279(15) 0.0376(5) Uani 1 1 d . . . . .
C2 C 0.2074(2) 0.26453(17) 0.41225(15) 0.0418(6) Uani 1 1 d . . . . .
H2 H 0.247228 0.269535 0.457087 0.050 Uiso 1 1 calc R U . . .
C3 C 0.2232(2) 0.22049(19) 0.35843(16) 0.0464(6) Uani 1 1 d . . . . .
H3 H 0.276469 0.188312 0.357918 0.056 Uiso 1 1 calc R U . . .
C4 C 0.07488(18) 0.35766(14) 0.43108(14) 0.0324(5) Uani 1 1 d . . . . .
C5 C 0.1185(2) 0.17837(17) 0.23724(16) 0.0436(6) Uani 1 1 d . . . . .
C11 C 0.07764(19) 0.43567(15) 0.39466(14) 0.0343(5) Uani 1 1 d . . . . .
C12 C 0.1723(2) 0.46850(18) 0.37443(17) 0.0444(6) Uani 1 1 d . . . . .
H12 H 0.232270 0.442713 0.383373 0.053 Uiso 1 1 calc R U . . .
C13 C 0.1792(3) 0.5381(2) 0.34159(19) 0.0508(7) Uani 1 1 d . . . . .
H13 H 0.243631 0.559501 0.328059 0.061 Uiso 1 1 calc R U . . .
C14 C 0.0925(3) 0.57672(18) 0.32829(18) 0.0490(7) Uani 1 1 d . . . . .
H14 H 0.097549 0.624680 0.306083 0.059 Uiso 1 1 calc R U . . .
C15 C -0.0010(2) 0.54475(17) 0.34767(17) 0.0457(6) Uani 1 1 d . . . . .
H15 H -0.060585 0.570895 0.338667 0.055 Uiso 1 1 calc R U . . .
C16 C -0.0089(2) 0.47431(15) 0.38041(14) 0.0369(5) Uani 1 1 d . . . . .
H16 H -0.073980 0.452657 0.393026 0.044 Uiso 1 1 calc R U . . .
C21 C 0.14194(18) 0.37277(15) 0.50338(14) 0.0338(5) Uani 1 1 d . . . . .
C22 C 0.1356(2) 0.30954(17) 0.54497(15) 0.0403(6) Uani 1 1 d . . . . .
H22 H 0.090839 0.259025 0.527982 0.048 Uiso 1 1 calc R U . . .
C23 C 0.1935(2) 0.31980(19) 0.61026(16) 0.0447(6) Uani 1 1 d . . . . .
H23 H 0.188825 0.276234 0.637630 0.054 Uiso 1 1 calc R U . . .
C24 C 0.2585(2) 0.3934(2) 0.63612(16) 0.0467(6) Uani 1 1 d . . . . .
H24 H 0.298881 0.400330 0.680901 0.056 Uiso 1 1 calc R U . . .
C25 C 0.2640(2) 0.45688(18) 0.59589(16) 0.0434(6) Uani 1 1 d . . . . .
H25 H 0.307350 0.507742 0.613499 0.052 Uiso 1 1 calc R U . . .
C26 C 0.20630(19) 0.44641(15) 0.52984(15) 0.0367(5) Uani 1 1 d . . . . .
H26 H 0.211056 0.490123 0.502631 0.044 Uiso 1 1 calc R U . . .
C31 C -0.03863(19) 0.31791(15) 0.43682(14) 0.0356(5) Uani 1 1 d . . . . .
C32 C -0.0895(2) 0.24162(16) 0.40608(17) 0.0456(6) Uani 1 1 d . . . . .
H32 H -0.055190 0.211678 0.378120 0.055 Uiso 1 1 calc R U . . .
C33 C -0.1904(3) 0.20899(19) 0.4161(2) 0.0579(8) Uani 1 1 d . . . . .
H33 H -0.224906 0.157144 0.394349 0.070 Uiso 1 1 calc R U . . .
C34 C -0.2413(3) 0.2512(2) 0.4574(2) 0.0573(8) Uani 1 1 d . . . . .
H34 H -0.310427 0.228702 0.463755 0.069 Uiso 1 1 calc R U . . .
C35 C -0.1908(2) 0.32592(19) 0.48916(18) 0.0473(7) Uani 1 1 d . . . . .
H35 H -0.225022 0.355164 0.517655 0.057 Uiso 1 1 calc R U . . .
C36 C -0.0901(2) 0.35872(16) 0.47974(15) 0.0396(6) Uani 1 1 d . . . . .
H36 H -0.055287 0.409834 0.502820 0.048 Uiso 1 1 calc R U . . .
C41 C 0.1115(3) 0.23012(19) 0.17790(16) 0.0469(6) Uani 1 1 d . . . . .
C42 C 0.1484(3) 0.3132(2) 0.18486(18) 0.0545(8) Uani 1 1 d . . . . .
H42 H 0.173830 0.341317 0.228655 0.065 Uiso 1 1 calc R U . . .
C43 C 0.1484(4) 0.3556(2) 0.1281(2) 0.0673(10) Uani 1 1 d . . . . .
H43 H 0.174068 0.412313 0.133310 0.081 Uiso 1 1 calc R U . . .
C44 C 0.1112(4) 0.3154(3) 0.0642(2) 0.0790(13) Uani 1 1 d . . . . .
H44 H 0.109521 0.344596 0.025573 0.095 Uiso 1 1 calc R U . . .
C45 C 0.0767(4) 0.2333(3) 0.0566(2) 0.0741(11) Uani 1 1 d . . . . .
H45 H 0.051314 0.205615 0.012642 0.089 Uiso 1 1 calc R U . . .
C46 C 0.0787(3) 0.1903(2) 0.11267(18) 0.0589(8) Uani 1 1 d . . . . .
H46 H 0.057447 0.133148 0.106702 0.071 Uiso 1 1 calc R U . . .
C51 C 0.2107(3) 0.1326(2) 0.23224(16) 0.0504(7) Uani 1 1 d . . . . .
C52 C 0.3097(3) 0.1771(2) 0.2301(2) 0.0610(9) Uani 1 1 d . . . . .
H52 H 0.319610 0.234388 0.232587 0.073 Uiso 1 1 calc R U . . .
C53 C 0.3945(4) 0.1384(3) 0.2243(2) 0.0731(11) Uani 1 1 d . . . . .
H53 H 0.462065 0.169541 0.222983 0.088 Uiso 1 1 calc R U . . .
C54 C 0.3815(4) 0.0554(3) 0.2205(2) 0.0773(13) Uani 1 1 d . . . . .
H54 H 0.440139 0.029532 0.217333 0.093 Uiso 1 1 calc R U . . .
C55 C 0.2847(4) 0.0105(3) 0.2213(2) 0.0778(13) Uani 1 1 d . . . . .
H55 H 0.275771 -0.046788 0.218229 0.093 Uiso 1 1 calc R U . . .
C56 C 0.1966(4) 0.0486(2) 0.2267(2) 0.0634(9) Uani 1 1 d . . . . .
H56 H 0.128745 0.017046 0.226427 0.076 Uiso 1 1 calc R U . . .
C61 C 0.0135(3) 0.12244(18) 0.24182(18) 0.0505(7) Uani 1 1 d . . . . .
C62 C -0.0819(3) 0.1220(2) 0.1987(2) 0.0666(10) Uani 1 1 d . . . . .
H62 H -0.084031 0.154429 0.162132 0.080 Uiso 1 1 calc R U . . .
C63 C -0.1758(4) 0.0737(3) 0.2087(3) 0.0881(15) Uani 1 1 d . . . . .
H63 H -0.240782 0.073361 0.178269 0.106 Uiso 1 1 calc R U . . .
C64 C -0.1752(5) 0.0272(3) 0.2616(3) 0.0932(17) Uani 1 1 d . . . . .
H64 H -0.239211 -0.005434 0.267711 0.112 Uiso 1 1 calc R U . . .
C65 C -0.0817(5) 0.0282(3) 0.3055(3) 0.0818(13) Uani 1 1 d . . . . .
H65 H -0.080921 -0.003497 0.342566 0.098 Uiso 1 1 calc R U . . .
C66 C 0.0124(4) 0.0754(2) 0.2964(2) 0.0651(9) Uani 1 1 d . . . . .
H66 H 0.076740 0.075787 0.327512 0.078 Uiso 1 1 calc R U . . .
C71 C -0.2535(3) 0.3179(3) 0.2205(3) 0.0778(13) Uani 1 1 d . . . . .
C72 C -0.1787(4) 0.3862(3) 0.2144(3) 0.0802(14) Uani 1 1 d . . . . .
H72 H -0.184412 0.438094 0.239260 0.096 Uiso 1 1 calc R U . . .
C73 C -0.1332(4) 0.3929(3) 0.1568(3) 0.0834(14) Uani 1 1 d . . . . .
C74 C -0.1606(4) 0.3285(3) 0.1053(3) 0.0837(13) Uani 1 1 d . . . . .
H74 H -0.128986 0.331572 0.066572 0.100 Uiso 1 1 calc R U . . .
C75 C -0.2342(4) 0.2602(3) 0.1109(3) 0.0753(12) Uani 1 1 d . . . . .
C76 C -0.2789(4) 0.2564(3) 0.1679(3) 0.0804(13) Uani 1 1 d . . . . .
H76 H -0.329334 0.209722 0.171091 0.096 Uiso 1 1 calc R U . . .
C77 C -0.3071(5) 0.3163(4) 0.2799(3) 0.1043(19) Uani 1 1 d . . . . .
H77A H -0.257768 0.346550 0.319549 0.125 Uiso 1 1 calc R U . . .
H77B H -0.328161 0.260194 0.289099 0.125 Uiso 1 1 calc R U . . .
H77C H -0.370325 0.341230 0.270160 0.125 Uiso 1 1 calc R U . . .
C78 C -0.0603(5) 0.4692(3) 0.1476(4) 0.113(2) Uani 1 1 d . . . . .
H78A H -0.073154 0.514715 0.175796 0.136 Uiso 1 1 calc R U . . .
H78B H -0.074283 0.479736 0.100085 0.136 Uiso 1 1 calc R U . . .
H78C H 0.013877 0.462689 0.160972 0.136 Uiso 1 1 calc R U . . .
C79 C -0.2653(6) 0.1920(4) 0.0547(3) 0.108(2) Uani 1 1 d . . . . .
H79A H -0.203770 0.166360 0.051497 0.130 Uiso 1 1 calc R U . . .
H79B H -0.288981 0.213415 0.011826 0.130 Uiso 1 1 calc R U . . .
H79C H -0.323213 0.151824 0.064112 0.130 Uiso 1 1 calc R U . . .
F101 F 0.47294(19) -0.14191(11) 0.62244(11) 0.0628(5) Uani 1 1 d . . . . .
F102 F 0.47243(18) -0.12115(11) 0.51927(11) 0.0605(5) Uani 1 1 d . . . . .
F103 F 0.60827(16) -0.06880(12) 0.59624(16) 0.0758(7) Uani 1 1 d . . . . .
F104 F 0.13402(17) -0.01017(15) 0.52302(16) 0.0816(8) Uani 1 1 d . . . . .
F105 F 0.14885(19) 0.10858(17) 0.56502(19) 0.0979(10) Uani 1 1 d . . . . .
F106 F 0.1978(2) 0.0857(3) 0.47222(19) 0.1412(19) Uani 1 1 d . . . . .
F111 F 0.41630(15) 0.39729(12) 0.46865(11) 0.0551(5) Uani 1 1 d . . . . .
F112 F 0.58376(16) 0.41054(15) 0.47579(12) 0.0684(6) Uani 1 1 d . . . . .
F113 F 0.4855(2) 0.29155(13) 0.45991(11) 0.0725(7) Uani 1 1 d . . . . .
F114 F 0.6274(3) 0.5158(2) 0.7769(2) 0.1389(18) Uani 1 1 d . . . . .
F115 F 0.4741(3) 0.5273(2) 0.7379(3) 0.146(2) Uani 1 1 d . . . . .
F116 F 0.5961(5) 0.57529(16) 0.6928(2) 0.163(2) Uani 1 1 d . . . . .
F121 F 0.9470(11) 0.2260(6) 0.6208(7) 0.118(5) Uani 0.5 1 d . . P A 1
F122 F 0.8338(7) 0.1281(10) 0.5875(6) 0.143(7) Uani 0.5 1 d . . P A 1
F123 F 0.9610(12) 0.1237(12) 0.6657(7) 0.153(7) Uani 0.5 1 d . . P A 1
F124 F 0.915(2) 0.3576(12) 0.8773(7) 0.206(10) Uani 0.5 1 d . . P B 1
F125 F 0.8395(10) 0.2739(15) 0.9195(7) 0.127(8) Uani 0.5 1 d . . P B 1
F126 F 0.9737(10) 0.2514(14) 0.8919(5) 0.174(7) Uani 0.5 1 d . . P B 1
F12A F 0.8945(13) 0.0872(6) 0.6455(8) 0.134(5) Uani 0.5 1 d . . P A 2
F12B F 0.9853(10) 0.1985(13) 0.6495(9) 0.186(9) Uani 0.5 1 d . . P A 2
F12C F 0.8473(11) 0.1652(11) 0.5821(4) 0.135(7) Uani 0.5 1 d . . P A 2
F12D F 0.8611(17) 0.2447(17) 0.9187(6) 0.184(11) Uani 0.5 1 d . . P B 2
F12E F 0.9889(5) 0.3103(7) 0.8766(5) 0.098(3) Uani 0.5 1 d . . P B 2
F12F F 0.8599(9) 0.3638(11) 0.8827(9) 0.161(9) Uani 0.5 1 d . . P B 2
F131 F 0.5845(6) 0.0670(5) 0.9261(4) 0.0570(13) Uani 0.5 1 d . . P C 1
F132 F 0.4116(16) 0.0007(9) 0.8995(11) 0.177(10) Uani 0.5 1 d . . P C 1
F133 F 0.4654(10) 0.0899(10) 0.9766(5) 0.092(3) Uani 0.5 1 d . . P C 1
F134 F 0.2070(9) 0.2909(8) 0.7814(7) 0.097(4) Uani 0.5 1 d . . P C 1
F135 F 0.2146(16) 0.2621(16) 0.8781(11) 0.160(9) Uani 0.5 1 d . . P C 1
F136 F 0.1375(5) 0.1715(5) 0.7998(7) 0.167(5) Uani 0.5 1 d . . P C 1
F13A F 0.5529(9) 0.0708(9) 0.9322(8) 0.156(7) Uani 0.5 1 d . . P D 2
F13B F 0.4422(13) -0.0088(8) 0.8885(9) 0.090(3) Uani 0.5 1 d . . P D 2
F13C F 0.4207(17) 0.0711(13) 0.9656(9) 0.191(10) Uani 0.5 1 d . . P D 2
F13D F 0.2894(7) 0.3645(5) 0.8305(7) 0.158(5) Uani 0.5 1 d . . P D 2
F13E F 0.2150(10) 0.2793(11) 0.8907(10) 0.098(3) Uani 0.5 1 d . . P D 2
F13F F 0.1717(8) 0.2672(11) 0.7848(9) 0.126(6) Uani 0.5 1 d . . P D 2
C101 C 0.4696(2) 0.12418(16) 0.64829(15) 0.0375(5) Uani 1 1 d . . . . .
C102 C 0.5107(2) 0.05394(15) 0.63759(15) 0.0392(6) Uani 1 1 d . . . . .
H102 H 0.579465 0.050896 0.661813 0.047 Uiso 1 1 calc R U . . .
C103 C 0.4542(2) -0.01167(16) 0.59262(16) 0.0420(6) Uani 1 1 d . . . . .
C104 C 0.3524(2) -0.01080(17) 0.55742(16) 0.0447(6) Uani 1 1 d . . . . .
H104 H 0.313981 -0.055397 0.526476 0.054 Uiso 1 1 calc R U . . .
C105 C 0.3081(2) 0.05739(17) 0.56880(16) 0.0443(6) Uani 1 1 d . . . . .
C106 C 0.3661(2) 0.12327(17) 0.61320(16) 0.0420(6) Uani 1 1 d . . . . .
H106 H 0.334253 0.169162 0.619864 0.050 Uiso 1 1 calc R U . . .
C107 C 0.5024(2) -0.08481(17) 0.58251(18) 0.0486(7) Uani 1 1 d . . . . .
C108 C 0.1987(3) 0.0607(2) 0.5320(2) 0.0583(9) Uani 1 1 d . . . . .
C111 C 0.5240(2) 0.28732(16) 0.66718(15) 0.0375(5) Uani 1 1 d . . . . .
C112 C 0.5118(2) 0.29037(15) 0.59752(15) 0.0376(5) Uani 1 1 d . . . . .
H112 H 0.501238 0.241277 0.569106 0.045 Uiso 1 1 calc R U . . .
C113 C 0.51463(19) 0.36310(16) 0.56808(15) 0.0379(6) Uani 1 1 d . . . . .
C114 C 0.5295(2) 0.43555(16) 0.60805(17) 0.0431(6) Uani 1 1 d . . . . .
H114 H 0.530526 0.485125 0.588292 0.052 Uiso 1 1 calc R U . . .
C115 C 0.5428(2) 0.43447(16) 0.67708(17) 0.0430(6) Uani 1 1 d . . . . .
C116 C 0.5402(2) 0.36151(16) 0.70631(16) 0.0400(6) Uani 1 1 d . . . . .
H116 H 0.549594 0.362437 0.754041 0.048 Uiso 1 1 calc R U . . .
C117 C 0.5003(2) 0.36427(18) 0.49386(17) 0.0455(6) Uani 1 1 d . . . . .
C118 C 0.5591(3) 0.51253(19) 0.7211(2) 0.0564(8) Uani 1 1 d . . . . .
C121 C 0.6609(2) 0.20648(14) 0.72325(15) 0.0360(5) Uani 1 1 d . . . . .
C122 C 0.7208(2) 0.18478(15) 0.67629(15) 0.0391(6) Uani 1 1 d . . . . .
H122 H 0.685116 0.164592 0.631561 0.047 Uiso 1 1 calc R U . . .
C123 C 0.8309(2) 0.19184(16) 0.69299(16) 0.0418(6) Uani 1 1 d . . . . .
C124 C 0.8862(2) 0.2244(2) 0.75646(18) 0.0498(7) Uani 1 1 d . . . . .
H124 H 0.961425 0.229816 0.767763 0.060 Uiso 1 1 calc R U . . .
C125 C 0.8291(2) 0.2492(2) 0.80360(18) 0.0517(7) Uani 1 1 d . . . . .
C126 C 0.7183(2) 0.23904(17) 0.78657(16) 0.0429(6) Uani 1 1 d . . . . .
H126 H 0.680754 0.255146 0.819785 0.051 Uiso 1 1 calc R U . . .
C127 C 0.8907(3) 0.1641(2) 0.6422(2) 0.0572(8) Uani 1 1 d . . . . .
C128 C 0.8857(3) 0.2865(4) 0.8719(3) 0.0896(17) Uani 1 1 d . . . . .
C131 C 0.4722(2) 0.19464(17) 0.76600(16) 0.0418(6) Uani 1 1 d . . . . .
C132 C 0.5028(7) 0.1397(5) 0.8112(4) 0.033(2) Uiso 0.5 1 d . . P C 1
H132 H 0.562988 0.115972 0.807042 0.040 Uiso 0.5 1 calc R U P C 1
C133 C 0.4469(5) 0.1189(5) 0.8623(3) 0.0375(16) Uiso 0.5 1 d . . P C 1
C134 C 0.3556(5) 0.1494(5) 0.8659(3) 0.0436(13) Uiso 0.5 1 d . . P C 1
H134 H 0.316408 0.136197 0.900244 0.052 Uiso 0.5 1 calc R U P C 1
C135 C 0.3223(5) 0.2002(4) 0.8178(3) 0.0455(13) Uiso 0.5 1 d . . P C 1
C136 C 0.3854(3) 0.2315(3) 0.7720(2) 0.0639(10) Uani 1 1 d . . . . .
H136 H 0.369551 0.274977 0.746865 0.077 Uiso 1 1 calc R U . C 1
C137 C 0.4799(7) 0.0623(5) 0.9122(4) 0.0442(17) Uiso 0.5 1 d . . P C 1
C138 C 0.2204(7) 0.2313(5) 0.8193(5) 0.0671(19) Uiso 0.5 1 d . . P C 1
C13B C 0.4907(8) 0.1456(6) 0.8183(5) 0.047(3) Uiso 0.5 1 d . . P D 2
H13B H 0.546875 0.116057 0.818508 0.056 Uiso 0.5 1 calc R U P D 2
C13C C 0.4346(6) 0.1368(5) 0.8690(4) 0.0440(19) Uiso 0.5 1 d . . P D 2
C13D C 0.3570(6) 0.1801(5) 0.8750(4) 0.0488(15) Uiso 0.5 1 d . . P D 2
H13D H 0.318131 0.172658 0.910249 0.059 Uiso 0.5 1 calc R U P D 2
C13E C 0.3350(6) 0.2358(5) 0.8287(4) 0.0523(15) Uiso 0.5 1 d . . P D 2
C13G C 0.4608(8) 0.0783(7) 0.9183(5) 0.064(3) Uiso 0.5 1 d . . P D 2
C13H C 0.2540(8) 0.2904(6) 0.8358(6) 0.076(2) Uiso 0.5 1 d . . P D 2
B B 0.5318(2) 0.20261(17) 0.70144(16) 0.0365(6) Uani 1 1 d . . . . .
C11S C 0.4003(12) 0.5950(9) 1.0199(5) 0.1721(18) Uiso 0.6 1 d DG U P E 1
C12S C 0.4720(11) 0.6600(7) 1.0063(6) 0.1721(18) Uiso 0.6 1 d G U P E 1
H12S H 0.500939 0.704132 1.039975 0.207 Uiso 0.6 1 calc R U P E 1
C13S C 0.5013(9) 0.6604(7) 0.9436(7) 0.1721(18) Uiso 0.6 1 d DG U P E 1
C14S C 0.4589(11) 0.5958(9) 0.8944(5) 0.1721(18) Uiso 0.6 1 d G U P E 1
H14S H 0.478894 0.596046 0.851515 0.207 Uiso 0.6 1 calc R U P E 1
C15S C 0.3873(10) 0.5308(7) 0.9079(6) 0.1721(18) Uiso 0.6 1 d DG U P E 1
C16S C 0.3580(10) 0.5304(7) 0.9706(7) 0.1721(18) Uiso 0.6 1 d G U P E 1
H16S H 0.309023 0.486001 0.979870 0.207 Uiso 0.6 1 calc R U P E 1
C17S C 0.3822(15) 0.5913(11) 1.0913(6) 0.1721(18) Uiso 0.6 1 d D U P E 1
H17A H 0.450907 0.599035 1.122634 0.207 Uiso 0.6 1 calc R U P E 1
H17B H 0.340235 0.538367 1.095268 0.207 Uiso 0.6 1 calc R U P E 1
H17C H 0.343613 0.633940 1.102485 0.207 Uiso 0.6 1 calc R U P E 1
C18S C 0.5838(13) 0.7224(10) 0.9215(9) 0.1721(18) Uiso 0.6 1 d D U P E 1
H18A H 0.558753 0.773993 0.919103 0.207 Uiso 0.6 1 calc R U P E 1
H18B H 0.594823 0.703333 0.876957 0.207 Uiso 0.6 1 calc R U P E 1
H18C H 0.651020 0.729881 0.954265 0.207 Uiso 0.6 1 calc R U P E 1
C19S C 0.3385(14) 0.4593(9) 0.8553(8) 0.1721(18) Uiso 0.6 1 d D U P E 1
H19A H 0.364182 0.410840 0.870313 0.207 Uiso 0.6 1 calc R U P E 1
H19B H 0.359088 0.470682 0.812204 0.207 Uiso 0.6 1 calc R U P E 1
H19C H 0.260804 0.450353 0.849579 0.207 Uiso 0.6 1 calc R U P E 1
C21S C 0.2962(7) 0.5694(6) 1.0768(5) 0.1721(18) Uiso 0.4 1 d DG U P F 2
C22S C 0.3774(8) 0.6263(6) 1.0622(6) 0.1721(18) Uiso 0.4 1 d DG U P F 2
H22S H 0.405898 0.673955 1.092101 0.207 Uiso 0.4 1 calc R U P F 2
C23S C 0.4170(9) 0.6133(7) 1.0038(6) 0.1721(18) Uiso 0.4 1 d DG U P F 2
C24S C 0.3753(9) 0.5435(7) 0.9600(6) 0.1721(18) Uiso 0.4 1 d DG U P F 2
H24S H 0.402313 0.534672 0.920054 0.207 Uiso 0.4 1 calc R U P F 2
C25S C 0.2941(9) 0.4867(6) 0.9746(6) 0.1721(18) Uiso 0.4 1 d DG U P F 2
C26S C 0.2546(8) 0.4996(6) 1.0330(6) 0.1721(18) Uiso 0.4 1 d DG U P F 2
H26S H 0.199095 0.460728 1.043011 0.207 Uiso 0.4 1 calc R U P F 2
C27S C 0.2535(11) 0.5836(9) 1.1402(6) 0.1721(18) Uiso 0.4 1 d D U P F 2
H27A H 0.215103 0.532259 1.150674 0.207 Uiso 0.4 1 calc R U P F 2
H27B H 0.204931 0.622152 1.133302 0.207 Uiso 0.4 1 calc R U P F 2
H27C H 0.312690 0.605457 1.177756 0.207 Uiso 0.4 1 calc R U P F 2
C28S C 0.5042(12) 0.6732(10) 0.9865(9) 0.1721(18) Uiso 0.4 1 d D U P F 2
H28A H 0.521102 0.653567 0.943723 0.207 Uiso 0.4 1 calc R U P F 2
H28B H 0.481086 0.725281 0.981950 0.207 Uiso 0.4 1 calc R U P F 2
H28C H 0.567571 0.679887 1.022400 0.207 Uiso 0.4 1 calc R U P F 2
C29S C 0.2504(13) 0.4114(8) 0.9262(8) 0.1721(18) Uiso 0.4 1 d D U P F 2
H29A H 0.210787 0.370486 0.948854 0.207 Uiso 0.4 1 calc R U P F 2
H29B H 0.309190 0.390307 0.911509 0.207 Uiso 0.4 1 calc R U P F 2
H29C H 0.202670 0.424659 0.886836 0.207 Uiso 0.4 1 calc R U P F 2
C31S C -0.0795(4) -0.0102(5) 0.0001(4) 0.0870(9) Uiso 0.5 1 d DG U P G -1
C32S C -0.0799(4) 0.0316(4) -0.0568(3) 0.0870(9) Uiso 0.5 1 d G U P G -1
H32S H -0.144349 0.044522 -0.079936 0.104 Uiso 0.5 1 calc R U P G -1
C33S C 0.0141(6) 0.0543(4) -0.0800(3) 0.0870(9) Uiso 0.5 1 d DG U P G -1
C34S C 0.1084(4) 0.0353(4) -0.0462(4) 0.0870(9) Uiso 0.5 1 d G U P G -1
H34S H 0.172614 0.050913 -0.061963 0.104 Uiso 0.5 1 calc R U P G -1
C35S C 0.1088(4) -0.0064(5) 0.0108(4) 0.0870(9) Uiso 0.5 1 d DG U P G -1
C36S C 0.0149(5) -0.0292(5) 0.0339(3) 0.0870(9) Uiso 0.5 1 d G U P G -1
H36S H 0.015152 -0.057719 0.072789 0.104 Uiso 0.5 1 calc R U P G -1
C37S C -0.1858(7) -0.0327(7) 0.0200(6) 0.0870(9) Uiso 0.5 1 d D U P G -1
H37A H -0.230768 0.006362 0.004983 0.104 Uiso 0.5 1 calc R U P G -1
H37B H -0.175686 -0.032288 0.069201 0.104 Uiso 0.5 1 calc R U P G -1
H37C H -0.220348 -0.086972 -0.001279 0.104 Uiso 0.5 1 calc R U P G -1
C38S C 0.0235(9) 0.0985(6) -0.1416(5) 0.0870(9) Uiso 0.5 1 d D U P G -1
H38A H 0.053908 0.155714 -0.127590 0.104 Uiso 0.5 1 calc R U P G -1
H38B H -0.047200 0.093889 -0.170137 0.104 Uiso 0.5 1 calc R U P G -1
H38C H 0.069850 0.074640 -0.167240 0.104 Uiso 0.5 1 calc R U P G -1
C39S C 0.2157(7) -0.0203(7) 0.0458(6) 0.0870(9) Uiso 0.5 1 d D U P G -1
H39A H 0.247969 -0.049295 0.013781 0.104 Uiso 0.5 1 calc R U P G -1
H39B H 0.206711 -0.052577 0.083570 0.104 Uiso 0.5 1 calc R U P G -1
H39C H 0.261919 0.031865 0.062973 0.104 Uiso 0.5 1 calc R U P G -1
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'
B B 0.0090 0.0039 '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'
F F 0.0727 0.0534 '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'
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_3
C1 Ag C72 168.86(13) .
C1 Ag C71 152.65(14) .
C72 Ag C71 31.55(17) .
C1 Ag C73 152.47(15) .
C72 Ag C73 31.04(18) .
C71 Ag C73 53.89(17) .
C1 N1 C2 111.0(2) .
C1 N1 C4 122.6(2) .
C2 N1 C4 126.4(2) .
C1 N2 C3 110.7(2) .
C1 N2 C5 122.4(2) .
C3 N2 C5 125.1(2) .
N1 C1 N2 104.7(2) .
N1 C1 Ag 126.09(19) .
N2 C1 Ag 129.2(2) .
C3 C2 N1 106.5(3) .
C2 C3 N2 107.1(2) .
N1 C4 C21 108.88(19) .
N1 C4 C31 110.1(2) .
C21 C4 C31 106.8(2) .
N1 C4 C11 105.5(2) .
C21 C4 C11 112.6(2) .
C31 C4 C11 112.9(2) .
N2 C5 C41 111.0(2) .
N2 C5 C61 103.6(2) .
C41 C5 C61 115.1(3) .
N2 C5 C51 107.7(2) .
C41 C5 C51 105.8(3) .
C61 C5 C51 113.5(2) .
C16 C11 C12 118.3(2) .
C16 C11 C4 123.4(2) .
C12 C11 C4 118.2(2) .
C13 C12 C11 120.7(3) .
C12 C13 C14 120.5(3) .
C15 C14 C13 119.3(3) .
C14 C15 C16 120.6(3) .
C11 C16 C15 120.6(3) .
C26 C21 C22 118.4(3) .
C26 C21 C4 123.2(2) .
C22 C21 C4 118.4(2) .
C23 C22 C21 120.9(3) .
C22 C23 C24 120.3(3) .
C25 C24 C23 119.3(3) .
C24 C25 C26 120.4(3) .
C21 C26 C25 120.7(3) .
C32 C31 C36 118.1(2) .
C32 C31 C4 124.0(2) .
C36 C31 C4 117.7(2) .
C31 C32 C33 120.3(3) .
C34 C33 C32 120.8(3) .
C35 C34 C33 119.4(3) .
C34 C35 C36 120.2(3) .
C35 C36 C31 121.2(3) .
C42 C41 C46 118.2(3) .
C42 C41 C5 123.5(3) .
C46 C41 C5 117.9(3) .
C41 C42 C43 120.5(3) .
C44 C43 C42 120.2(4) .
C45 C44 C43 119.8(4) .
C44 C45 C46 120.4(4) .
C45 C46 C41 120.8(3) .
C52 C51 C56 119.1(3) .
C52 C51 C5 118.5(3) .
C56 C51 C5 122.4(3) .
C51 C52 C53 120.5(4) .
C54 C53 C52 120.5(5) .
C55 C54 C53 120.0(4) .
C54 C55 C56 120.5(4) .
C51 C56 C55 119.4(4) .
C62 C61 C66 117.9(4) .
C62 C61 C5 123.3(3) .
C66 C61 C5 118.5(3) .
C61 C62 C63 120.3(4) .
C64 C63 C62 121.1(5) .
C65 C64 C63 119.3(5) .
C64 C65 C66 120.5(5) .
C65 C66 C61 120.8(4) .
C76 C71 C72 117.3(5) .
C76 C71 C77 122.9(5) .
C72 C71 C77 119.7(5) .
C76 C71 Ag 101.8(3) .
C72 C71 Ag 60.0(2) .
C77 C71 Ag 108.9(3) .
C73 C72 C71 121.4(4) .
C73 C72 Ag 90.3(3) .
C71 C72 Ag 88.5(3) .
C72 C73 C74 119.0(5) .
C72 C73 C78 121.4(5) .
C74 C73 C78 119.6(6) .
C72 C73 Ag 58.7(2) .
C74 C73 Ag 101.7(3) .
C78 C73 Ag 111.1(3) .
C75 C74 C73 120.1(6) .
C76 C75 C74 119.2(5) .
C76 C75 C79 120.9(5) .
C74 C75 C79 119.9(5) .
C75 C76 C71 122.9(5) .
C128 F12F C27S 139.3(9) 2_667
C102 C101 C106 115.9(3) .
C102 C101 B 124.2(2) .
C106 C101 B 119.7(2) .
C103 C102 C101 122.2(3) .
C104 C103 C102 120.9(3) .
C104 C103 C107 119.1(3) .
C102 C103 C107 120.0(3) .
C103 C104 C105 118.0(3) .
C104 C105 C106 120.5(3) .
C104 C105 C108 119.7(3) .
C106 C105 C108 119.8(3) .
C105 C106 C101 122.4(3) .
F103 C107 F102 107.1(3) .
F103 C107 F101 106.2(3) .
F102 C107 F101 105.4(2) .
F103 C107 C103 113.0(2) .
F102 C107 C103 112.7(3) .
F101 C107 C103 111.9(3) .
F106 C108 F104 106.7(4) .
F106 C108 F105 106.9(4) .
F104 C108 F105 103.5(3) .
F106 C108 C105 112.8(3) .
F104 C108 C105 112.8(3) .
F105 C108 C105 113.4(3) .
C112 C111 C116 116.2(2) .
C112 C111 B 121.6(2) .
C116 C111 B 121.9(3) .
C111 C112 C113 122.3(3) .
C114 C113 C112 120.2(3) .
C114 C113 C117 118.7(2) .
C112 C113 C117 121.0(3) .
C115 C114 C113 118.7(2) .
C114 C115 C116 120.8(3) .
C114 C115 C118 119.4(3) .
C116 C115 C118 119.8(3) .
C111 C116 C115 121.7(3) .
F113 C117 F111 106.2(3) .
F113 C117 F112 107.4(3) .
F111 C117 F112 104.5(2) .
F113 C117 C113 114.1(2) .
F111 C117 C113 112.0(3) .
F112 C117 C113 112.0(3) .
F115 C118 F114 106.3(4) .
F115 C118 F116 105.7(4) .
F114 C118 F116 104.0(4) .
F115 C118 C115 113.3(3) .
F114 C118 C115 113.5(3) .
F116 C118 C115 113.2(4) .
C126 C121 C122 116.0(2) .
C126 C121 B 122.3(3) .
C122 C121 B 121.4(3) .
C123 C122 C121 122.1(3) .
C124 C123 C122 120.7(3) .
C124 C123 C127 119.1(3) .
C122 C123 C127 120.2(3) .
C123 C124 C125 118.4(3) .
C124 C125 C126 120.0(3) .
C124 C125 C128 120.2(3) .
C126 C125 C128 119.9(3) .
C121 C126 C125 122.7(3) .
F12C C127 F12B 107.9(11) .
F122 C127 F123 110.6(10) .
F12C C127 F12A 102.3(9) .
F12B C127 F12A 105.1(11) .
F122 C127 F121 101.8(9) .
F123 C127 F121 102.7(9) .
F12C C127 C123 114.9(6) .
F12B C127 C123 115.7(7) .
F122 C127 C123 115.4(5) .
F123 C127 C123 114.0(6) .
F12A C127 C123 109.7(6) .
F121 C127 C123 111.0(6) .
F124 C128 F125 104.7(15) .
F12D C128 F12E 114.2(12) .
F124 C128 F126 108.0(13) .
F125 C128 F126 100.1(11) .
F12D C128 F12F 108.7(14) .
F12E C128 F12F 97.4(9) .
F124 C128 C125 115.9(9) .
F125 C128 C125 117.4(8) .
F12D C128 C125 112.7(11) .
F12E C128 C125 113.8(6) .
F126 C128 C125 109.3(7) .
F12F C128 C125 108.7(7) .
C136 C131 C13B 110.0(5) .
C136 C131 C132 120.2(5) .
C136 C131 B 122.7(3) .
C13B C131 B 127.0(5) .
C132 C131 B 116.5(4) .
C133 C132 C131 121.4(7) .
C134 C133 C132 119.5(7) .
C134 C133 C137 118.1(6) .
C132 C133 C137 122.4(7) .
C133 C134 C135 118.3(6) .
C134 C135 C136 123.1(6) .
C134 C135 C138 118.9(6) .
C136 C135 C138 117.6(6) .
C131 C136 C135 116.1(4) .
C131 C136 C13E 127.4(4) .
F132 C137 F131 127.2(13) .
F132 C137 F133 100.5(14) .
F131 C137 F133 98.8(8) .
F132 C137 C133 106.5(11) .
F131 C137 C133 112.1(7) .
F133 C137 C133 109.8(9) .
F135 C138 F134 102.8(13) .
F135 C138 F136 107.3(13) .
F134 C138 F136 108.6(10) .
F135 C138 C135 113.6(11) .
F134 C138 C135 114.1(8) .
F136 C138 C135 110.0(7) .
C13C C13B C131 125.2(9) .
C13D C13C C13B 121.5(8) .
C13D C13C C13G 120.3(8) .
C13B C13C C13G 118.1(9) .
C13C C13D C13E 119.4(7) .
C13D C13E C136 114.7(6) .
C13D C13E C13H 121.7(7) .
C136 C13E C13H 123.4(7) .
F13C C13G F13A 110.6(14) .
F13C C13G C13C 122.0(13) .
F13A C13G C13C 116.9(10) .
F13C C13G F13B 100.8(15) .
F13A C13G F13B 84.2(12) .
C13C C13G F13B 115.0(10) .
F13D C13H F13E 113.3(13) .
F13D C13H F13F 105.9(12) .
F13E C13H F13F 105.3(12) .
F13D C13H C13E 113.0(8) .
F13E C13H C13E 111.1(11) .
F13F C13H C13E 107.7(10) .
C131 B C111 112.8(2) .
C131 B C101 103.8(2) .
C111 B C101 111.1(2) .
C131 B C121 112.4(2) .
C111 B C121 103.0(2) .
C101 B C121 114.0(2) .
C12S C11S C16S 120.0 .
C12S C11S C17S 118.3(12) .
C16S C11S C17S 121.1(12) .
C13S C12S C11S 120.0 .
C14S C13S C12S 120.0 .
C14S C13S C18S 112.4(12) .
C12S C13S C18S 127.5(12) .
C13S C14S C15S 120.0 .
C16S C15S C14S 120.0 .
C16S C15S C19S 118.3(12) .
C14S C15S C19S 121.6(12) .
C15S C16S C11S 120.0 .
C22S C21S C26S 120.0 .
C22S C21S C27S 119.9(5) .
C26S C21S C27S 120.1(5) .
C21S C22S C23S 120.0 .
C22S C23S C24S 120.0 .
C22S C23S C28S 121.4(5) .
C24S C23S C28S 118.6(5) .
C25S C24S C23S 120.0 .
C24S C25S C26S 120.0 .
C24S C25S C29S 118.9(5) .
C26S C25S C29S 121.1(5) .
C25S C26S C21S 120.0 .
C32S C31S C36S 120.0 .
C32S C31S C37S 115.4(6) .
C36S C31S C37S 124.6(6) .
C33S C32S C31S 120.0 .
C34S C33S C32S 120.0 .
C34S C33S C38S 115.0(6) .
C32S C33S C38S 124.9(6) .
C33S C34S C35S 120.0 .
C34S C35S C36S 120.0 .
C34S C35S C39S 116.0(6) .
C36S C35S C39S 123.9(6) .
C35S C36S C31S 120.0 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag C1 2.112(3) .
Ag C72 2.323(4) .
Ag C71 2.682(4) .
Ag C73 2.719(5) .
N1 C1 1.351(4) .
N1 C2 1.388(3) .
N1 C4 1.499(3) .
N2 C1 1.356(3) .
N2 C3 1.384(4) .
N2 C5 1.510(4) .
C2 C3 1.342(4) .
C4 C21 1.542(4) .
C4 C31 1.543(3) .
C4 C11 1.549(3) .
C5 C41 1.530(4) .
C5 C61 1.545(5) .
C5 C51 1.546(4) .
C11 C16 1.388(3) .
C11 C12 1.405(4) .
C12 C13 1.385(4) .
C13 C14 1.388(4) .
C14 C15 1.380(5) .
C15 C16 1.397(4) .
C21 C26 1.387(3) .
C21 C22 1.403(4) .
C22 C23 1.381(4) .
C23 C24 1.388(4) .
C24 C25 1.388(5) .
C25 C26 1.393(4) .
C31 C32 1.391(4) .
C31 C36 1.400(4) .
C32 C33 1.391(4) .
C33 C34 1.386(5) .
C34 C35 1.374(5) .
C35 C36 1.384(4) .
C41 C42 1.391(5) .
C41 C46 1.397(4) .
C42 C43 1.394(5) .
C43 C44 1.381(6) .
C44 C45 1.371(6) .
C45 C46 1.386(5) .
C51 C52 1.385(5) .
C51 C56 1.390(5) .
C52 C53 1.391(5) .
C53 C54 1.375(7) .
C54 C55 1.359(7) .
C55 C56 1.420(5) .
C61 C62 1.378(5) .
C61 C66 1.403(5) .
C62 C63 1.404(6) .
C63 C64 1.369(8) .
C64 C65 1.366(8) .
C65 C66 1.392(6) .
C71 C76 1.387(7) .
C71 C72 1.404(8) .
C71 C77 1.495(8) .
C72 C73 1.402(8) .
C73 C74 1.404(7) .
C73 C78 1.508(8) .
C74 C75 1.393(7) .
C75 C76 1.383(8) .
C75 C79 1.510(6) .
F101 C107 1.349(4) .
F102 C107 1.340(4) .
F103 C107 1.330(4) .
F104 C108 1.321(4) .
F105 C108 1.334(5) .
F106 C108 1.305(5) .
F111 C117 1.343(3) .
F112 C117 1.348(3) .
F113 C117 1.330(4) .
F114 C118 1.295(5) .
F115 C118 1.271(5) .
F116 C118 1.301(5) .
F121 C127 1.317(8) .
F122 C127 1.265(9) .
F123 C127 1.273(8) .
F124 C128 1.186(17) .
F125 C128 1.238(15) .
F126 C128 1.384(12) .
F12A C127 1.312(9) .
F12B C127 1.247(9) .
F12C C127 1.246(9) .
F12D C128 1.273(19) .
F12E C128 1.318(8) .
F12F C128 1.411(15) .
F12F C27S 1.851(18) 2_667
F131 C137 1.326(11) .
F132 C137 1.225(16) .
F133 C137 1.408(14) .
F134 C138 1.321(17) .
F135 C138 1.28(2) .
F136 C138 1.326(11) .
F13A C13G 1.209(15) .
F13B C13G 1.511(16) .
F13C C13G 1.174(18) .
F13D C13H 1.275(13) .
F13E C13H 1.31(2) .
F13F C13H 1.329(18) .
C101 C102 1.398(4) .
C101 C106 1.399(4) .
C101 B 1.640(4) .
C102 C103 1.392(4) .
C103 C104 1.388(4) .
C103 C107 1.492(4) .
C104 C105 1.393(4) .
C105 C106 1.395(4) .
C105 C108 1.493(4) .
C111 C112 1.395(4) .
C111 C116 1.397(4) .
C111 B 1.640(4) .
C112 C113 1.397(3) .
C113 C114 1.383(4) .
C113 C117 1.481(4) .
C114 C115 1.378(5) .
C115 C116 1.399(4) .
C115 C118 1.500(4) .
C121 C126 1.385(4) .
C121 C122 1.400(4) .
C121 B 1.646(4) .
C122 C123 1.393(4) .
C123 C124 1.380(5) .
C123 C127 1.492(5) .
C124 C125 1.394(5) .
C125 C126 1.397(4) .
C125 C128 1.484(6) .
C131 C136 1.396(4) .
C131 C13B 1.398(10) .
C131 C132 1.400(8) .
C131 B 1.638(4) .
C132 C133 1.400(11) .
C133 C134 1.382(10) .
C133 C137 1.493(10) .
C134 C135 1.398(9) .
C135 C136 1.416(7) .
C135 C138 1.510(11) .
C136 C13E 1.425(8) .
C13B C13C 1.366(13) .
C13C C13D 1.359(12) .
C13C C13G 1.486(13) .
C13D C13E 1.397(10) .
C13E C13H 1.528(12) .
C11S C12S 1.3900 .
C11S C16S 1.3900 .
C11S C17S 1.511(9) .
C12S C13S 1.3900 .
C13S C14S 1.3900 .
C13S C18S 1.518(9) .
C14S C15S 1.3900 .
C15S C16S 1.3900 .
C15S C19S 1.519(9) .
C21S C22S 1.3900 .
C21S C26S 1.3900 .
C21S C27S 1.507(6) .
C22S C23S 1.3900 .
C23S C24S 1.3900 .
C23S C28S 1.495(6) .
C24S C25S 1.3900 .
C25S C26S 1.3900 .
C25S C29S 1.509(6) .
C31S C32S 1.3900 .
C31S C36S 1.3900 .
C31S C37S 1.505(8) .
C32S C33S 1.3900 .
C33S C34S 1.3900 .
C33S C38S 1.510(8) .
C34S C35S 1.3900 .
C35S C36S 1.3900 .
C35S C39S 1.504(8) .
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_4
C2 N1 C1 N2 -0.3(3) . .
C4 N1 C1 N2 179.0(2) . .
C2 N1 C1 Ag -179.6(2) . .
C4 N1 C1 Ag -0.3(4) . .
C3 N2 C1 N1 0.3(3) . .
C5 N2 C1 N1 165.6(2) . .
C3 N2 C1 Ag 179.5(2) . .
C5 N2 C1 Ag -15.1(4) . .
C72 Ag C1 N1 25.2(10) . .
C71 Ag C1 N1 -77.3(4) . .
C73 Ag C1 N1 123.8(3) . .
C72 Ag C1 N2 -153.9(9) . .
C71 Ag C1 N2 103.6(4) . .
C73 Ag C1 N2 -55.4(4) . .
C1 N1 C2 C3 0.2(3) . .
C4 N1 C2 C3 -179.1(2) . .
N1 C2 C3 N2 0.0(3) . .
C1 N2 C3 C2 -0.1(4) . .
C5 N2 C3 C2 -165.0(3) . .
C1 N1 C4 C21 -175.9(2) . .
C2 N1 C4 C21 3.3(3) . .
C1 N1 C4 C31 67.3(3) . .
C2 N1 C4 C31 -113.4(3) . .
C1 N1 C4 C11 -54.8(3) . .
C2 N1 C4 C11 124.4(3) . .
C1 N2 C5 C41 62.7(4) . .
C3 N2 C5 C41 -134.1(3) . .
C1 N2 C5 C61 -61.4(3) . .
C3 N2 C5 C61 101.8(3) . .
C1 N2 C5 C51 178.1(3) . .
C3 N2 C5 C51 -18.7(4) . .
N1 C4 C11 C16 132.0(3) . .
C21 C4 C11 C16 -109.4(3) . .
C31 C4 C11 C16 11.7(4) . .
N1 C4 C11 C12 -47.3(3) . .
C21 C4 C11 C12 71.3(3) . .
C31 C4 C11 C12 -167.6(2) . .
C16 C11 C12 C13 0.5(5) . .
C4 C11 C12 C13 179.9(3) . .
C11 C12 C13 C14 0.2(5) . .
C12 C13 C14 C15 -0.5(6) . .
C13 C14 C15 C16 0.1(5) . .
C12 C11 C16 C15 -1.0(4) . .
C4 C11 C16 C15 179.7(3) . .
C14 C15 C16 C11 0.7(5) . .
N1 C4 C21 C26 110.3(3) . .
C31 C4 C21 C26 -130.9(2) . .
C11 C4 C21 C26 -6.4(3) . .
N1 C4 C21 C22 -71.3(3) . .
C31 C4 C21 C22 47.5(3) . .
C11 C4 C21 C22 172.0(2) . .
C26 C21 C22 C23 -1.2(4) . .
C4 C21 C22 C23 -179.7(2) . .
C21 C22 C23 C24 0.6(4) . .
C22 C23 C24 C25 0.6(4) . .
C23 C24 C25 C26 -1.1(4) . .
C22 C21 C26 C25 0.7(4) . .
C4 C21 C26 C25 179.1(2) . .
C24 C25 C26 C21 0.5(4) . .
N1 C4 C31 C32 -1.4(4) . .
C21 C4 C31 C32 -119.5(3) . .
C11 C4 C31 C32 116.2(3) . .
N1 C4 C31 C36 173.5(2) . .
C21 C4 C31 C36 55.5(3) . .
C11 C4 C31 C36 -68.8(3) . .
C36 C31 C32 C33 2.5(5) . .
C4 C31 C32 C33 177.4(3) . .
C31 C32 C33 C34 -0.9(6) . .
C32 C33 C34 C35 -0.5(6) . .
C33 C34 C35 C36 0.2(6) . .
C34 C35 C36 C31 1.5(5) . .
C32 C31 C36 C35 -2.8(4) . .
C4 C31 C36 C35 -178.1(3) . .
N2 C5 C41 C42 12.4(4) . .
C61 C5 C41 C42 129.6(3) . .
C51 C5 C41 C42 -104.1(4) . .
N2 C5 C41 C46 -175.8(3) . .
C61 C5 C41 C46 -58.6(4) . .
C51 C5 C41 C46 67.6(4) . .
C46 C41 C42 C43 2.5(6) . .
C5 C41 C42 C43 174.2(4) . .
C41 C42 C43 C44 0.3(7) . .
C42 C43 C44 C45 -1.6(8) . .
C43 C44 C45 C46 0.2(8) . .
C44 C45 C46 C41 2.7(7) . .
C42 C41 C46 C45 -4.0(6) . .
C5 C41 C46 C45 -176.1(4) . .
N2 C5 C51 C52 -63.9(4) . .
C41 C5 C51 C52 54.9(4) . .
C61 C5 C51 C52 -177.9(3) . .
N2 C5 C51 C56 119.2(3) . .
C41 C5 C51 C56 -122.0(3) . .
C61 C5 C51 C56 5.2(5) . .
C56 C51 C52 C53 -1.8(6) . .
C5 C51 C52 C53 -178.8(4) . .
C51 C52 C53 C54 0.1(7) . .
C52 C53 C54 C55 1.1(7) . .
C53 C54 C55 C56 -0.6(7) . .
C52 C51 C56 C55 2.2(6) . .
C5 C51 C56 C55 179.1(3) . .
C54 C55 C56 C51 -1.1(7) . .
N2 C5 C61 C62 117.3(3) . .
C41 C5 C61 C62 -4.0(5) . .
C51 C5 C61 C62 -126.2(4) . .
N2 C5 C61 C66 -56.2(3) . .
C41 C5 C61 C66 -177.5(3) . .
C51 C5 C61 C66 60.3(4) . .
C66 C61 C62 C63 -1.9(6) . .
C5 C61 C62 C63 -175.4(4) . .
C61 C62 C63 C64 0.9(8) . .
C62 C63 C64 C65 0.4(8) . .
C63 C64 C65 C66 -0.6(8) . .
C64 C65 C66 C61 -0.4(7) . .
C62 C61 C66 C65 1.6(6) . .
C5 C61 C66 C65 175.5(3) . .
C1 Ag C71 C76 -86.2(5) . .
C72 Ag C71 C76 114.9(5) . .
C73 Ag C71 C76 81.9(4) . .
C1 Ag C71 C72 158.9(3) . .
C73 Ag C71 C72 -33.0(3) . .
C1 Ag C71 C77 44.9(5) . .
C72 Ag C71 C77 -114.0(5) . .
C73 Ag C71 C77 -147.0(4) . .
C76 C71 C72 C73 1.4(6) . .
C77 C71 C72 C73 -174.7(4) . .
Ag C71 C72 C73 89.4(4) . .
C76 C71 C72 Ag -88.1(4) . .
C77 C71 C72 Ag 95.8(4) . .
C1 Ag C72 C73 117.5(8) . .
C71 Ag C72 C73 -121.5(4) . .
C1 Ag C72 C71 -121.0(8) . .
C73 Ag C72 C71 121.5(4) . .
C71 C72 C73 C74 -2.2(6) . .
Ag C72 C73 C74 86.2(4) . .
C71 C72 C73 C78 174.6(4) . .
Ag C72 C73 C78 -97.0(5) . .
C71 C72 C73 Ag -88.4(4) . .
C1 Ag C73 C72 -158.3(3) . .
C71 Ag C73 C72 33.5(3) . .
C1 Ag C73 C74 84.8(4) . .
C72 Ag C73 C74 -117.0(5) . .
C71 Ag C73 C74 -83.4(4) . .
C1 Ag C73 C78 -43.5(6) . .
C72 Ag C73 C78 114.7(6) . .
C71 Ag C73 C78 148.3(5) . .
C72 C73 C74 C75 1.7(7) . .
C78 C73 C74 C75 -175.1(5) . .
Ag C73 C74 C75 62.2(5) . .
C73 C74 C75 C76 -0.5(7) . .
C73 C74 C75 C79 178.6(5) . .
C74 C75 C76 C71 -0.4(7) . .
C79 C75 C76 C71 -179.4(5) . .
C72 C71 C76 C75 -0.1(6) . .
C77 C71 C76 C75 175.9(5) . .
Ag C71 C76 C75 -62.2(5) . .
C106 C101 C102 C103 2.7(4) . .
B C101 C102 C103 179.0(3) . .
C101 C102 C103 C104 -1.7(4) . .
C101 C102 C103 C107 179.3(3) . .
C102 C103 C104 C105 -0.5(4) . .
C107 C103 C104 C105 178.6(3) . .
C103 C104 C105 C106 1.4(4) . .
C103 C104 C105 C108 -180.0(3) . .
C104 C105 C106 C101 -0.4(4) . .
C108 C105 C106 C101 -178.9(3) . .
C102 C101 C106 C105 -1.7(4) . .
B C101 C106 C105 -178.2(3) . .
C104 C103 C107 F103 155.4(3) . .
C102 C103 C107 F103 -25.5(4) . .
C104 C103 C107 F102 33.9(4) . .
C102 C103 C107 F102 -147.0(3) . .
C104 C103 C107 F101 -84.7(4) . .
C102 C103 C107 F101 94.4(3) . .
C104 C105 C108 F106 -84.8(5) . .
C106 C105 C108 F106 93.8(5) . .
C104 C105 C108 F104 36.2(5) . .
C106 C105 C108 F104 -145.2(3) . .
C104 C105 C108 F105 153.4(3) . .
C106 C105 C108 F105 -28.0(4) . .
C116 C111 C112 C113 -0.5(4) . .
B C111 C112 C113 -174.1(2) . .
C111 C112 C113 C114 -0.2(4) . .
C111 C112 C113 C117 -179.3(2) . .
C112 C113 C114 C115 0.9(4) . .
C117 C113 C114 C115 180.0(2) . .
C113 C114 C115 C116 -0.7(4) . .
C113 C114 C115 C118 180.0(3) . .
C112 C111 C116 C115 0.6(4) . .
B C111 C116 C115 174.2(2) . .
C114 C115 C116 C111 0.0(4) . .
C118 C115 C116 C111 179.2(3) . .
C114 C113 C117 F113 -179.3(3) . .
C112 C113 C117 F113 -0.2(4) . .
C114 C113 C117 F111 -58.6(3) . .
C112 C113 C117 F111 120.5(3) . .
C114 C113 C117 F112 58.4(3) . .
C112 C113 C117 F112 -122.5(3) . .
C114 C115 C118 F115 97.1(5) . .
C116 C115 C118 F115 -82.1(5) . .
C114 C115 C118 F114 -141.5(4) . .
C116 C115 C118 F114 39.2(5) . .
C114 C115 C118 F116 -23.2(5) . .
C116 C115 C118 F116 157.6(4) . .
C126 C121 C122 C123 3.0(4) . .
B C121 C122 C123 176.5(2) . .
C121 C122 C123 C124 -3.0(4) . .
C121 C122 C123 C127 176.9(3) . .
C122 C123 C124 C125 0.7(4) . .
C127 C123 C124 C125 -179.3(3) . .
C123 C124 C125 C126 1.5(5) . .
C123 C124 C125 C128 -178.4(4) . .
C122 C121 C126 C125 -0.7(4) . .
B C121 C126 C125 -174.2(3) . .
C124 C125 C126 C121 -1.5(5) . .
C128 C125 C126 C121 178.4(4) . .
C124 C123 C127 F12C -153.5(10) . .
C122 C123 C127 F12C 26.5(10) . .
C124 C123 C127 F12B -26.6(15) . .
C122 C123 C127 F12B 153.4(15) . .
C124 C123 C127 F122 173.7(10) . .
C122 C123 C127 F122 -6.3(10) . .
C124 C123 C127 F123 44.1(12) . .
C122 C123 C127 F123 -135.8(12) . .
C124 C123 C127 F12A 91.9(10) . .
C122 C123 C127 F12A -88.1(10) . .
C124 C123 C127 F121 -71.3(8) . .
C122 C123 C127 F121 108.8(8) . .
C27S F12F C128 F12D -90(3) 2_667 .
C27S F12F C128 F12E 151(2) 2_667 .
C27S F12F C128 C125 33(3) 2_667 .
C124 C125 C128 F124 88.0(17) . .
C126 C125 C128 F124 -91.8(17) . .
C124 C125 C128 F125 -147.3(13) . .
C126 C125 C128 F125 32.9(14) . .
C124 C125 C128 F12D -116.8(14) . .
C126 C125 C128 F12D 63.3(15) . .
C124 C125 C128 F12E 15.3(10) . .
C126 C125 C128 F12E -164.6(8) . .
C124 C125 C128 F126 -34.3(12) . .
C126 C125 C128 F126 145.9(10) . .
C124 C125 C128 F12F 122.6(10) . .
C126 C125 C128 F12F -57.3(11) . .
C136 C131 C132 C133 1.3(9) . .
B C131 C132 C133 -170.4(6) . .
C131 C132 C133 C134 3.9(11) . .
C131 C132 C133 C137 -178.2(6) . .
C132 C133 C134 C135 0.1(11) . .
C137 C133 C134 C135 -177.8(7) . .
C133 C134 C135 C136 -9.7(11) . .
C133 C134 C135 C138 177.5(7) . .
C132 C131 C136 C135 -10.0(7) . .
B C131 C136 C135 161.2(4) . .
C13B C131 C136 C13E 13.2(8) . .
B C131 C136 C13E -172.7(5) . .
C134 C135 C136 C131 14.6(9) . .
C138 C135 C136 C131 -172.6(6) . .
C134 C133 C137 F132 66.7(15) . .
C132 C133 C137 F132 -111.2(15) . .
C134 C133 C137 F131 -150.0(7) . .
C132 C133 C137 F131 32.1(11) . .
C134 C133 C137 F133 -41.3(10) . .
C132 C133 C137 F133 140.9(9) . .
C134 C135 C138 F135 49.6(16) . .
C136 C135 C138 F135 -123.6(14) . .
C134 C135 C138 F134 167.0(9) . .
C136 C135 C138 F134 -6.2(12) . .
C134 C135 C138 F136 -70.7(11) . .
C136 C135 C138 F136 116.1(10) . .
C136 C131 C13B C13C -1.9(11) . .
B C131 C13B C13C -175.6(7) . .
C131 C13B C13C C13D -3.8(14) . .
C131 C13B C13C C13G 176.4(8) . .
C13B C13C C13D C13E -0.9(12) . .
C13G C13C C13D C13E 178.9(8) . .
C13C C13D C13E C136 10.3(11) . .
C13C C13D C13E C13H -175.7(8) . .
C131 C136 C13E C13D -17.8(10) . .
C131 C136 C13E C13H 168.3(7) . .
C13D C13C C13G F13C -5(2) . .
C13B C13C C13G F13C 175.2(17) . .
C13D C13C C13G F13A -145.9(13) . .
C13B C13C C13G F13A 33.8(16) . .
C13D C13C C13G F13B 117.7(11) . .
C13B C13C C13G F13B -62.6(13) . .
C13D C13E C13H F13D 131.3(11) . .
C136 C13E C13H F13D -55.2(14) . .
C13D C13E C13H F13E 2.7(14) . .
C136 C13E C13H F13E 176.2(10) . .
C13D C13E C13H F13F -112.1(11) . .
C136 C13E C13H F13F 61.4(13) . .
C136 C131 B C111 28.7(4) . .
C13B C131 B C111 -158.3(6) . .
C132 C131 B C111 -159.8(4) . .
C136 C131 B C101 -91.7(4) . .
C13B C131 B C101 81.3(6) . .
C132 C131 B C101 79.8(4) . .
C136 C131 B C121 144.6(3) . .
C13B C131 B C121 -42.4(6) . .
C132 C131 B C121 -43.9(5) . .
C112 C111 B C131 -143.2(2) . .
C116 C111 B C131 43.6(3) . .
C112 C111 B C101 -27.1(3) . .
C116 C111 B C101 159.7(2) . .
C112 C111 B C121 95.4(3) . .
C116 C111 B C121 -77.8(3) . .
C102 C101 B C131 -103.4(3) . .
C106 C101 B C131 72.8(3) . .
C102 C101 B C111 135.0(3) . .
C106 C101 B C111 -48.7(3) . .
C102 C101 B C121 19.2(4) . .
C106 C101 B C121 -164.6(2) . .
C126 C121 B C131 -29.9(3) . .
C122 C121 B C131 157.0(2) . .
C126 C121 B C111 91.8(3) . .
C122 C121 B C111 -81.3(3) . .
C126 C121 B C101 -147.7(2) . .
C122 C121 B C101 39.2(3) . .
C16S C11S C12S C13S 0.0 . .
C17S C11S C12S C13S 171.7(14) . .
C11S C12S C13S C14S 0.0 . .
C11S C12S C13S C18S -175.1(15) . .
C12S C13S C14S C15S 0.0 . .
C18S C13S C14S C15S 175.8(13) . .
C13S C14S C15S C16S 0.0 . .
C13S C14S C15S C19S 179.5(14) . .
C14S C15S C16S C11S 0.0 . .
C19S C15S C16S C11S -179.6(13) . .
C12S C11S C16S C15S 0.0 . .
C17S C11S C16S C15S -171.4(14) . .
C26S C21S C22S C23S 0.0 . .
C27S C21S C22S C23S 180.0 . .
C21S C22S C23S C24S 0.0 . .
C21S C22S C23S C28S 180.0 . .
C22S C23S C24S C25S 0.0 . .
C28S C23S C24S C25S 180.0 . .
C23S C24S C25S C26S 0.0 . .
C23S C24S C25S C29S 180.0 . .
C24S C25S C26S C21S 0.0 . .
C29S C25S C26S C21S 180.0 . .
C22S C21S C26S C25S 0.0 . .
C27S C21S C26S C25S 180.0 . .
C22S C21S C27S F12F 91.6(9) . 2_667
C26S C21S C27S F12F -88.4(9) . 2_667
C36S C31S C32S C33S 0.0 . .
C37S C31S C32S C33S -179.2(8) . .
C31S C32S C33S C34S 0.0 . .
C31S C32S C33S C38S 178.9(8) . .
C32S C33S C34S C35S 0.0 . .
C38S C33S C34S C35S -179.0(7) . .
C33S C34S C35S C36S 0.0 . .
C33S C34S C35S C39S -177.0(7) . .
C34S C35S C36S C31S 0.0 . .
C39S C35S C36S C31S 176.7(8) . .
C32S C31S C36S C35S 0.0 . .
C37S C31S C36S C35S 179.1(9) . .
