#------------------------------------------------------------------------------
#$Date: 2019-11-17 05:32:49 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228153 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/09/7120998.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_7120998
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         'C82 H64 Ag2 N4, 2(C32 H12 B F24), 2(C6 H14)'
_chemical_formula_sum            'C158 H116 Ag2 B2 F48 N4'
_chemical_formula_weight         3219.90
_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                117.7485(13)
_cell_angle_beta                 92.4871(15)
_cell_angle_gamma                105.9078(15)
_cell_formula_units_Z            1
_cell_length_a                   15.6902(3)
_cell_length_b                   16.2845(4)
_cell_length_c                   16.4921(4)
_cell_measurement_reflns_used    7544
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      69.91
_cell_measurement_theta_min      2.99
_cell_volume                     3513.30(15)
_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-2014/5 (Sheldrick 2015)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.951
_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  0.0514
_diffrn_reflns_av_unetI/netI     0.0868
_diffrn_reflns_Laue_measured_fraction_full 0.964
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21964
_diffrn_reflns_point_group_measured_fraction_full 0.964
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.619
_diffrn_reflns_theta_min         2.989
_exptl_absorpt_coefficient_mu    3.284
_exptl_absorpt_correction_T_max  0.9787
_exptl_absorpt_correction_T_min  0.6236
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS 2016/2 (Krause et al., 2015)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_description       rod
_exptl_crystal_F_000             1628
_exptl_crystal_size_max          0.251
_exptl_crystal_size_mid          0.045
_exptl_crystal_size_min          0.043
_refine_diff_density_max         0.592
_refine_diff_density_min         -1.316
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1072
_refine_ls_number_reflns         13276
_refine_ls_number_restraints     118
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0852
_refine_ls_R_factor_gt           0.0605
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0845P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1555
_refine_ls_wR_factor_ref         0.1720
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9284
_reflns_number_total             13276
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7cc08418h2.cif
_cod_data_source_block           riv17e6
_cod_depositor_comments
'Adding full bibliography for 7120993--7120998.cif.'
_cod_database_code               7120998
_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   0.493
_shelx_estimated_absorpt_t_max   0.872
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 -0.04201(2) -0.10136(2) 0.08031(2) 0.05133(12) Uani 1 1 d . . . . .
N1 N 0.0924(2) 0.0972(2) 0.2458(2) 0.0410(8) Uani 1 1 d . . . . .
N2 N 0.1309(2) -0.0261(2) 0.2304(2) 0.0474(8) Uani 1 1 d . . . . .
C1 C 0.0682(3) -0.0026(3) 0.1933(3) 0.0415(9) Uani 1 1 d . . . . .
C2 C 0.1721(3) 0.1353(3) 0.3092(3) 0.0563(12) Uani 1 1 d . . . . .
H2 H 0.203469 0.202868 0.352119 0.068 Uiso 1 1 calc R U . . .
C3 C 0.1971(3) 0.0592(3) 0.2991(3) 0.0598(13) Uani 1 1 d . . . . .
H3 H 0.250085 0.062795 0.332514 0.072 Uiso 1 1 calc R U . . .
C4 C 0.0405(3) 0.1573(3) 0.2334(3) 0.0391(9) Uani 1 1 d . . . . .
C5 C 0.1346(3) -0.1275(3) 0.1974(3) 0.0478(10) Uani 1 1 d . . . . .
C11 C 0.0561(3) 0.2530(3) 0.3293(3) 0.0404(9) Uani 1 1 d . . . . .
C12 C -0.0118(3) 0.2691(3) 0.3807(3) 0.0448(10) Uani 1 1 d . . . . .
H12 H -0.069179 0.219037 0.359619 0.054 Uiso 1 1 calc R U . . .
C13 C 0.0040(3) 0.3580(3) 0.4626(3) 0.0542(11) Uani 1 1 d . . . . .
H13 H -0.042767 0.367986 0.497003 0.065 Uiso 1 1 calc R U . . .
C14 C 0.0864(3) 0.4315(3) 0.4942(3) 0.0545(12) Uani 1 1 d . . . . .
H14 H 0.096795 0.492003 0.550249 0.065 Uiso 1 1 calc R U . . .
C15 C 0.1539(3) 0.4165(3) 0.4439(3) 0.0505(10) Uani 1 1 d . . . . .
H15 H 0.211348 0.466500 0.465926 0.061 Uiso 1 1 calc R U . . .
C16 C 0.1386(3) 0.3298(3) 0.3623(3) 0.0460(10) Uani 1 1 d . . . . .
H16 H 0.185190 0.321815 0.327412 0.055 Uiso 1 1 calc R U . . .
C21 C 0.0761(3) 0.1889(3) 0.1640(3) 0.0416(9) Uani 1 1 d . . . . .
C22 C 0.0567(3) 0.2671(3) 0.1624(3) 0.0467(10) Uani 1 1 d . . . . .
H22 H 0.019702 0.297357 0.202323 0.056 Uiso 1 1 calc R U . . .
C23 C 0.0906(3) 0.3011(3) 0.1036(3) 0.0511(11) Uani 1 1 d . . . . .
H23 H 0.076226 0.354110 0.103648 0.061 Uiso 1 1 calc R U . . .
C24 C 0.1449(3) 0.2593(3) 0.0449(3) 0.0500(10) Uani 1 1 d . . . . .
H24 H 0.167827 0.282940 0.004572 0.060 Uiso 1 1 calc R U . . .
C25 C 0.1654(3) 0.1816(3) 0.0458(3) 0.0512(11) Uani 1 1 d . . . . .
H25 H 0.203087 0.152303 0.006205 0.061 Uiso 1 1 calc R U . . .
C26 C 0.1306(3) 0.1464(3) 0.1048(3) 0.0454(10) Uani 1 1 d . . . . .
H26 H 0.144486 0.092963 0.104305 0.054 Uiso 1 1 calc R U . . .
C31 C -0.0607(3) 0.0943(3) 0.2014(3) 0.0423(9) Uani 1 1 d . . . . .
C32 C -0.0998(3) 0.0476(3) 0.2499(3) 0.0471(10) Uani 1 1 d . . . . .
H32 H -0.062984 0.051704 0.299856 0.057 Uiso 1 1 calc R U . . .
C33 C -0.1920(3) -0.0049(3) 0.2260(3) 0.0528(11) Uani 1 1 d . . . . .
H33 H -0.217675 -0.036979 0.259038 0.063 Uiso 1 1 calc R U . . .
C34 C -0.2460(3) -0.0103(3) 0.1542(3) 0.0580(12) Uani 1 1 d . . . . .
H34 H -0.309003 -0.045525 0.137948 0.070 Uiso 1 1 calc R U . . .
C35 C -0.2079(3) 0.0358(3) 0.1063(3) 0.0560(12) Uani 1 1 d . . . . .
H35 H -0.245192 0.032694 0.057269 0.067 Uiso 1 1 calc R U . . .
C36 C -0.1164(3) 0.0864(3) 0.1283(3) 0.0473(10) Uani 1 1 d . . . . .
H36 H -0.091082 0.116132 0.093213 0.057 Uiso 1 1 calc R U . . .
C41 C 0.1882(3) -0.1481(3) 0.1188(3) 0.0526(11) Uani 1 1 d . . . . .
C42 C 0.2825(4) -0.1078(4) 0.1410(5) 0.0780(16) Uani 1 1 d . . . . .
H42 H 0.312943 -0.068219 0.204610 0.094 Uiso 1 1 calc R U . . .
C43 C 0.3324(5) -0.1256(5) 0.0694(6) 0.091(2) Uani 1 1 d . . . . .
H43 H 0.396589 -0.099012 0.084860 0.109 Uiso 1 1 calc R U . . .
C44 C 0.2894(5) -0.1804(5) -0.0215(5) 0.090(2) Uani 1 1 d . . . . .
H44 H 0.323620 -0.193301 -0.069470 0.108 Uiso 1 1 calc R U . . .
C45 C 0.1975(5) -0.2172(5) -0.0445(4) 0.0820(19) Uani 1 1 d . . . . .
H45 H 0.167796 -0.254676 -0.108377 0.098 Uiso 1 1 calc R U . . .
C46 C 0.1472(4) -0.2000(4) 0.0251(4) 0.0641(13) Uani 1 1 d . . . . .
H46 H 0.083058 -0.224541 0.008114 0.077 Uiso 1 1 calc R U . . .
C51 C 0.0386(3) -0.2037(3) 0.1676(3) 0.0492(10) Uani 1 1 d . . . . .
C52 C 0.0254(4) -0.3023(3) 0.1075(4) 0.0649(13) Uani 1 1 d . . . . .
H52 H 0.073472 -0.321475 0.079753 0.078 Uiso 1 1 calc R U . . .
C53 C -0.0579(4) -0.3730(4) 0.0877(5) 0.0799(17) Uani 1 1 d . . . . .
H53 H -0.065977 -0.440333 0.046311 0.096 Uiso 1 1 calc R U . . .
C54 C -0.1281(4) -0.3479(4) 0.1264(4) 0.0751(16) Uani 1 1 d . . . . .
H54 H -0.185313 -0.396678 0.110765 0.090 Uiso 1 1 calc R U . . .
C55 C -0.1147(3) -0.2506(4) 0.1885(4) 0.0639(13) Uani 1 1 d . . . . .
H55 H -0.162510 -0.232220 0.217641 0.077 Uiso 1 1 calc R U . . .
C56 C -0.0321(3) -0.1792(4) 0.2088(3) 0.0522(11) Uani 1 1 d . . . . .
H56 H -0.023968 -0.112305 0.251678 0.063 Uiso 1 1 calc R U . . .
C61 C 0.1778(3) -0.1313(3) 0.2814(3) 0.0514(10) Uani 1 1 d . . . . .
C62 C 0.2258(4) -0.1950(4) 0.2667(4) 0.0745(16) Uani 1 1 d . . . . .
H62 H 0.237884 -0.230235 0.206217 0.089 Uiso 1 1 calc R U . . .
C63 C 0.2563(5) -0.2084(5) 0.3367(5) 0.092(2) Uani 1 1 d . . . . .
H63 H 0.288413 -0.253310 0.324361 0.110 Uiso 1 1 calc R U . . .
C64 C 0.2408(5) -0.1577(5) 0.4248(5) 0.090(2) Uani 1 1 d . . . . .
H64 H 0.264036 -0.165101 0.474186 0.108 Uiso 1 1 calc R U . . .
C65 C 0.1908(4) -0.0952(4) 0.4409(4) 0.0754(15) Uani 1 1 d . . . . .
H65 H 0.178338 -0.060700 0.501290 0.090 Uiso 1 1 calc R U . . .
C66 C 0.1591(3) -0.0833(4) 0.3685(3) 0.0603(12) Uani 1 1 d . . . . .
H66 H 0.123959 -0.041410 0.379528 0.072 Uiso 1 1 calc R U . . .
F71A F 0.6798(4) 0.1650(3) 0.3236(3) 0.1080(17) Uani 0.85 1 d D . P A 1
F72A F 0.7087(5) 0.3107(5) 0.4325(2) 0.126(2) Uani 0.85 1 d D . P A 1
F73A F 0.7906(3) 0.2739(6) 0.3341(5) 0.141(2) Uani 0.85 1 d D . P A 1
F71B F 0.7702(12) 0.3304(11) 0.4104(12) 0.054(5) Uiso 0.15 1 d D . P A 2
F72B F 0.7455(17) 0.1921(16) 0.3099(14) 0.070(6) Uiso 0.15 1 d D . P A 2
F73B F 0.6540(13) 0.227(2) 0.3925(16) 0.078(6) Uiso 0.15 1 d D . P A 2
F74A F 0.3847(4) 0.1157(6) 0.1364(4) 0.139(3) Uani 0.7 1 d D . P B 1
F75A F 0.3983(6) 0.1814(5) 0.0549(8) 0.177(5) Uani 0.7 1 d D . P B 1
F76A F 0.4556(4) 0.0726(5) 0.0338(6) 0.148(3) Uani 0.7 1 d D . P B 1
F74B F 0.4559(9) 0.1375(10) 0.0118(6) 0.076(3) Uiso 0.3 1 d D . P B 2
F75B F 0.4211(11) 0.0667(8) 0.0895(12) 0.093(4) Uiso 0.3 1 d D . P B 2
F76B F 0.3752(8) 0.1821(11) 0.1049(9) 0.079(4) Uiso 0.3 1 d D . P B 2
F81A F 0.6347(6) 0.2884(5) -0.1008(4) 0.083(2) Uani 0.55 1 d D . P C 1
F82A F 0.7317(9) 0.3978(10) -0.1132(10) 0.129(5) Uani 0.55 1 d D . P C 1
F83A F 0.5933(5) 0.3587(4) -0.1709(3) 0.0840(18) Uani 0.55 1 d D . P C 1
F84A F 0.5521(8) 0.6857(9) 0.0304(12) 0.152(6) Uani 0.55 1 d D . P C 1
F85A F 0.6054(16) 0.7602(10) 0.1693(9) 0.177(7) Uani 0.55 1 d D . P C 1
F86A F 0.6913(10) 0.7498(11) 0.0771(12) 0.103(5) Uani 0.55 1 d D . P C 1
F81B F 0.6478(7) 0.3112(11) -0.1458(8) 0.174(9) Uani 0.45 1 d D . P C 2
F82B F 0.7600(8) 0.4322(11) -0.1150(10) 0.090(4) Uani 0.45 1 d D . P C 2
F83B F 0.7673(6) 0.3547(7) -0.0503(5) 0.103(3) Uani 0.45 1 d D . P C 2
F84B F 0.6757(10) 0.7618(10) 0.1208(18) 0.136(9) Uani 0.45 1 d D . P C 2
F85B F 0.5862(11) 0.6623(10) -0.0123(6) 0.114(6) Uani 0.45 1 d D . P C 2
F86B F 0.5429(7) 0.7019(7) 0.1139(8) 0.083(3) Uani 0.45 1 d D . P C 2
F91A F 0.9970(4) 0.4751(4) 0.2923(4) 0.1069(15) Uani 0.9 1 d D . P D 1
F92A F 0.9710(3) 0.4721(3) 0.1659(3) 0.0973(13) Uani 0.9 1 d D . P D 1
F93A F 1.0752(3) 0.5931(3) 0.2757(6) 0.143(2) Uani 0.9 1 d D . P D 1
F91B F 1.035(2) 0.559(3) 0.202(2) 0.074(9) Uiso 0.1 1 d D . P D 2
F92B F 1.0621(16) 0.565(3) 0.3253(16) 0.065(8) Uiso 0.1 1 d D . P D 2
F93B F 0.967(3) 0.4365(7) 0.218(3) 0.095(11) Uiso 0.1 1 d D . P D 2
F94A F 0.9460(6) 0.8897(3) 0.4148(3) 0.132(3) Uani 0.8 1 d D . P E 1
F95A F 0.9826(5) 0.8702(3) 0.5233(4) 0.133(2) Uani 0.8 1 d D . P E 1
F96A F 0.8525(3) 0.8669(3) 0.4896(6) 0.152(3) Uani 0.8 1 d D . P E 1
F94B F 0.9050(11) 0.8564(10) 0.5363(7) 0.051(3) Uiso 0.2 1 d D . P E 2
F95B F 0.8747(11) 0.8796(10) 0.4283(11) 0.055(3) Uiso 0.2 1 d D . P E 2
F96B F 1.0030(6) 0.8828(9) 0.4627(12) 0.059(3) Uiso 0.2 1 d D . P E 2
F101 F 0.6480(2) 0.6416(2) 0.60987(18) 0.0755(9) Uani 1 1 d . . . . .
F102 F 0.6078(2) 0.7615(2) 0.6243(2) 0.0868(10) Uani 1 1 d . . . . .
F103 F 0.5134(2) 0.6385(2) 0.62368(18) 0.0750(8) Uani 1 1 d . . . . .
F14A F 0.3255(4) 0.6080(4) 0.3158(6) 0.144(3) Uani 0.8 1 d D . P F 1
F15A F 0.3209(3) 0.4718(4) 0.2117(3) 0.1001(16) Uani 0.8 1 d D . P F 1
F16A F 0.2832(3) 0.4888(6) 0.3377(5) 0.128(2) Uani 0.8 1 d D . P F 1
F14B F 0.3054(11) 0.4317(7) 0.2548(13) 0.080(5) Uiso 0.2 1 d D . P F 2
F15B F 0.2972(10) 0.5679(12) 0.3645(9) 0.061(4) Uiso 0.2 1 d D . P F 2
F16B F 0.3423(12) 0.5646(14) 0.2465(12) 0.078(5) Uiso 0.2 1 d D . P F 2
C71 C 0.6346(3) 0.3953(3) 0.2374(2) 0.0378(8) Uani 1 1 d . . . . .
C72 C 0.6805(3) 0.3700(3) 0.2916(3) 0.0415(9) Uani 1 1 d . . . . .
H72 H 0.733224 0.418544 0.336603 0.050 Uiso 1 1 calc R U . . .
C73 C 0.6529(3) 0.2770(3) 0.2830(3) 0.0453(10) Uani 1 1 d . . . . .
C74 C 0.5755(3) 0.2045(3) 0.2194(3) 0.0491(10) Uani 1 1 d . . . . .
H74 H 0.555555 0.141043 0.213483 0.059 Uiso 1 1 calc R U . . .
C75 C 0.5278(3) 0.2276(3) 0.1643(3) 0.0476(10) Uani 1 1 d . . . . .
C76 C 0.5567(3) 0.3197(3) 0.1725(3) 0.0439(9) Uani 1 1 d . . . . .
H76 H 0.523058 0.332566 0.133163 0.053 Uiso 1 1 calc R U . . .
C77 C 0.7056(3) 0.2566(3) 0.3442(3) 0.0616(13) Uani 1 1 d D . . . .
C78 C 0.4431(4) 0.1515(3) 0.0959(4) 0.0707(15) Uani 1 1 d D . . . .
C81A C 0.6423(8) 0.5081(6) 0.1554(4) 0.043(5) Uani 0.55 1 d DG . P C 1
C82A C 0.6459(6) 0.4361(5) 0.0678(5) 0.033(2) Uani 0.55 1 d G . P C 1
H82A H 0.652020 0.376488 0.059929 0.039 Uiso 0.55 1 calc R U P C 1
C83A C 0.6406(6) 0.4512(6) -0.0083(4) 0.044(3) Uani 0.55 1 d DG . P C 1
C84A C 0.6317(8) 0.5384(8) 0.0032(5) 0.046(3) Uani 0.55 1 d G . P C 1
H84A H 0.628086 0.548704 -0.048835 0.056 Uiso 0.55 1 calc R U P C 1
C85A C 0.6281(10) 0.6104(6) 0.0907(7) 0.046(4) Uani 0.55 1 d DG . P C 1
C86A C 0.6334(10) 0.5953(6) 0.1668(4) 0.037(3) Uani 0.55 1 d G . P C 1
H86A H 0.630880 0.644588 0.226695 0.044 Uiso 0.55 1 calc R U P C 1
C87A C 0.6485(6) 0.3720(6) -0.1006(6) 0.063(3) Uani 0.55 1 d D . P C 1
C88A C 0.6189(7) 0.6994(8) 0.0896(7) 0.076(7) Uani 0.55 1 d D . P C 1
C81B C 0.6439(9) 0.5166(8) 0.1601(4) 0.042(7) Uani 0.45 1 d DG . P C 2
C82B C 0.6729(8) 0.4499(6) 0.0873(6) 0.041(3) Uani 0.45 1 d G . P C 2
H82B H 0.690966 0.401895 0.094024 0.049 Uiso 0.45 1 calc R U P C 2
C83B C 0.6755(7) 0.4534(9) 0.0048(5) 0.055(4) Uani 0.45 1 d DG . P C 2
C84B C 0.6491(9) 0.5236(11) -0.0049(7) 0.051(4) Uani 0.45 1 d G . P C 2
H84B H 0.650838 0.526021 -0.061329 0.062 Uiso 0.45 1 calc R U P C 2
C85B C 0.6200(11) 0.5904(9) 0.0678(8) 0.030(3) Uani 0.45 1 d DG . P C 2
C86B C 0.6175(11) 0.5869(8) 0.1503(6) 0.030(3) Uani 0.45 1 d G . P C 2
H86B H 0.597620 0.632495 0.200007 0.036 Uiso 0.45 1 calc R U P C 2
C87B C 0.7098(7) 0.3873(7) -0.0763(6) 0.068(4) Uani 0.45 1 d D . P C 2
C88B C 0.6084(8) 0.6806(9) 0.0724(7) 0.067(6) Uani 0.45 1 d D . P C 2
C91 C 0.7670(3) 0.5713(3) 0.2997(2) 0.0383(8) Uani 1 1 d . . . . .
C92 C 0.8339(3) 0.5296(3) 0.2673(3) 0.0433(9) Uani 1 1 d . . . . .
H92 H 0.816202 0.460923 0.224835 0.052 Uiso 1 1 calc R U . . .
C93 C 0.9251(3) 0.5848(3) 0.2948(3) 0.0497(10) Uani 1 1 d . . . . .
C94 C 0.9551(3) 0.6857(3) 0.3555(3) 0.0481(10) Uani 1 1 d . . . . .
H94 H 1.017559 0.723577 0.373845 0.058 Uiso 1 1 calc R U . . .
C95 C 0.8894(3) 0.7289(3) 0.3883(3) 0.0437(9) Uani 1 1 d . . . . .
C96 C 0.7985(3) 0.6734(3) 0.3612(3) 0.0400(9) Uani 1 1 d . . . . .
H96 H 0.755727 0.705556 0.385131 0.048 Uiso 1 1 calc R U . . .
C97 C 0.9924(3) 0.5330(3) 0.2579(3) 0.0634(13) Uani 1 1 d D . . . .
C98 C 0.9184(3) 0.8370(3) 0.4536(3) 0.0559(11) Uani 1 1 d D . . . .
C101 C 0.5916(3) 0.5497(3) 0.3256(3) 0.0384(8) Uani 1 1 d . . . . .
C102 C 0.6138(3) 0.5919(3) 0.4225(3) 0.0403(9) Uani 1 1 d . . . . .
H102 H 0.673766 0.605433 0.450627 0.048 Uiso 1 1 calc R U . . .
C103 C 0.5516(3) 0.6149(3) 0.4797(3) 0.0443(9) Uani 1 1 d . . . . .
C104 C 0.4636(3) 0.5956(3) 0.4413(3) 0.0502(10) Uani 1 1 d . . . . .
H104 H 0.420816 0.611475 0.479925 0.060 Uiso 1 1 calc R U . . .
C105 C 0.4392(3) 0.5527(3) 0.3454(3) 0.0484(10) Uani 1 1 d . . . . .
C106 C 0.5017(3) 0.5311(3) 0.2893(3) 0.0435(9) Uani 1 1 d . . . . .
H106 H 0.483045 0.502554 0.223663 0.052 Uiso 1 1 calc R U . . .
C107 C 0.5796(3) 0.6628(4) 0.5833(3) 0.0531(11) Uani 1 1 d . . . . .
C108 C 0.3428(3) 0.5282(4) 0.3020(3) 0.0673(14) Uani 1 1 d D . . . .
B B 0.6599(3) 0.5082(3) 0.2565(3) 0.0394(10) Uani 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'
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_1
_geom_angle_site_symmetry_3
C1 Ag C25 168.04(15) . 2
C1 Ag C24 157.96(15) . 2
C25 Ag C24 33.77(14) 2 2
C1 N1 C2 110.6(3) . .
C1 N1 C4 124.3(3) . .
C2 N1 C4 125.0(3) . .
C1 N2 C3 110.0(3) . .
C1 N2 C5 126.0(3) . .
C3 N2 C5 123.7(3) . .
N1 C1 N2 104.7(3) . .
N1 C1 Ag 128.5(3) . .
N2 C1 Ag 126.8(3) . .
C3 C2 N1 107.3(4) . .
C2 C3 N2 107.1(4) . .
N1 C4 C21 109.9(3) . .
N1 C4 C31 107.6(3) . .
C21 C4 C31 112.9(3) . .
N1 C4 C11 109.0(3) . .
C21 C4 C11 107.5(3) . .
C31 C4 C11 109.9(3) . .
N2 C5 C41 106.1(3) . .
N2 C5 C51 111.3(3) . .
C41 C5 C51 113.9(4) . .
N2 C5 C61 109.0(3) . .
C41 C5 C61 113.9(4) . .
C51 C5 C61 102.7(3) . .
C12 C11 C16 117.4(4) . .
C12 C11 C4 122.7(4) . .
C16 C11 C4 119.6(4) . .
C13 C12 C11 120.4(4) . .
C14 C13 C12 120.8(4) . .
C13 C14 C15 119.3(4) . .
C16 C15 C14 120.4(4) . .
C15 C16 C11 121.6(4) . .
C26 C21 C22 118.0(4) . .
C26 C21 C4 123.0(3) . .
C22 C21 C4 118.9(3) . .
C23 C22 C21 121.1(4) . .
C24 C23 C22 121.1(4) . .
C23 C24 C25 118.7(4) . .
C23 C24 Ag 104.9(3) . 2
C25 C24 Ag 69.3(2) . 2
C24 C25 C26 120.4(4) . .
C24 C25 Ag 76.9(3) . 2
C26 C25 Ag 101.4(3) . 2
C21 C26 C25 120.7(4) . .
C36 C31 C32 118.1(4) . .
C36 C31 C4 122.2(4) . .
C32 C31 C4 119.6(3) . .
C33 C32 C31 120.8(4) . .
C34 C33 C32 119.9(5) . .
C35 C34 C33 119.5(4) . .
C34 C35 C36 120.9(4) . .
C35 C36 C31 120.7(4) . .
C46 C41 C42 117.4(5) . .
C46 C41 C5 122.9(4) . .
C42 C41 C5 119.6(5) . .
C41 C42 C43 120.1(6) . .
C44 C43 C42 120.3(6) . .
C43 C44 C45 120.4(6) . .
C44 C45 C46 120.1(6) . .
C41 C46 C45 121.5(6) . .
C56 C51 C52 118.0(5) . .
C56 C51 C5 122.1(4) . .
C52 C51 C5 119.3(4) . .
C51 C52 C53 120.2(5) . .
C54 C53 C52 121.3(5) . .
C53 C54 C55 118.9(6) . .
C54 C55 C56 120.4(5) . .
C51 C56 C55 121.1(5) . .
C66 C61 C62 118.1(4) . .
C66 C61 C5 121.4(4) . .
C62 C61 C5 119.9(4) . .
C63 C62 C61 121.6(5) . .
C62 C63 C64 120.4(5) . .
C63 C64 C65 119.2(5) . .
C64 C65 C66 119.8(6) . .
C61 C66 C65 120.9(5) . .
C72 C71 C76 115.2(4) . .
C72 C71 B 122.8(3) . .
C76 C71 B 121.5(3) . .
C73 C72 C71 123.2(4) . .
C74 C73 C72 120.3(4) . .
C74 C73 C77 120.1(4) . .
C72 C73 C77 119.5(4) . .
C73 C74 C75 117.9(4) . .
C76 C75 C74 121.1(4) . .
C76 C75 C78 119.6(4) . .
C74 C75 C78 119.2(4) . .
C75 C76 C71 122.3(4) . .
F72B C77 F71B 100.8(14) . .
F72A C77 F71A 108.5(5) . .
F72B C77 F73B 103.2(15) . .
F71B C77 F73B 101.0(14) . .
F72A C77 F73A 105.7(6) . .
F71A C77 F73A 102.7(5) . .
F72B C77 C73 121.2(11) . .
F72A C77 C73 113.9(4) . .
F71B C77 C73 117.3(9) . .
F71A C77 C73 114.4(4) . .
F73B C77 C73 110.6(11) . .
F73A C77 C73 110.6(4) . .
F75B C78 F76B 110.5(10) . .
F75A C78 F76A 109.1(7) . .
F75A C78 F74A 104.5(8) . .
F76A C78 F74A 101.2(6) . .
F75B C78 F74B 106.2(9) . .
F76B C78 F74B 102.0(8) . .
F75B C78 C75 116.8(7) . .
F76B C78 C75 113.2(8) . .
F75A C78 C75 115.4(4) . .
F76A C78 C75 113.5(5) . .
F74A C78 C75 111.9(4) . .
F74B C78 C75 106.8(7) . .
C82A C81A C86A 120.0 . .
C82A C81A B 126.3(6) . .
C86A C81A B 113.3(6) . .
C81A C82A C83A 120.0 . .
C84A C83A C82A 120.0 . .
C84A C83A C87A 122.5(7) . .
C82A C83A C87A 117.5(7) . .
C85A C84A C83A 120.0 . .
C84A C85A C86A 120.0 . .
C84A C85A C88A 112.4(7) . .
C86A C85A C88A 127.6(7) . .
C85A C86A C81A 120.0 . .
F83A C87A F82A 108.2(10) . .
F83A C87A F81A 110.3(8) . .
F82A C87A F81A 105.9(10) . .
F83A C87A C83A 111.9(7) . .
F82A C87A C83A 108.9(9) . .
F81A C87A C83A 111.4(7) . .
F86A C88A F85A 105.0(12) . .
F86A C88A F84A 106.5(12) . .
F85A C88A F84A 102.8(11) . .
F86A C88A C85A 112.9(11) . .
F85A C88A C85A 110.8(8) . .
F84A C88A C85A 117.6(9) . .
C82B C81B C86B 120.0 . .
C82B C81B B 111.2(7) . .
C86B C81B B 128.2(7) . .
C81B C82B C83B 120.0 . .
C82B C83B C84B 120.0 . .
C82B C83B C87B 124.0(8) . .
C84B C83B C87B 115.9(8) . .
C85B C84B C83B 120.0 . .
C84B C85B C86B 120.0 . .
C84B C85B C88B 123.9(9) . .
C86B C85B C88B 114.9(9) . .
C85B C86B C81B 120.0 . .
F81B C87B F83B 107.6(11) . .
F81B C87B F82B 105.0(13) . .
F83B C87B F82B 100.4(9) . .
F81B C87B C83B 115.9(9) . .
F83B C87B C83B 112.4(7) . .
F82B C87B C83B 114.2(11) . .
F85B C88B F84B 111.6(17) . .
F85B C88B F86B 106.8(10) . .
F84B C88B F86B 102.1(14) . .
F85B C88B C85B 108.1(9) . .
F84B C88B C85B 116.3(13) . .
F86B C88B C85B 111.4(10) . .
C92 C91 C96 115.3(4) . .
C92 C91 B 121.5(3) . .
C96 C91 B 122.5(3) . .
C93 C92 C91 122.4(4) . .
C92 C93 C94 121.5(4) . .
C92 C93 C97 118.6(4) . .
C94 C93 C97 119.8(4) . .
C93 C94 C95 117.0(4) . .
C96 C95 C94 121.3(4) . .
C96 C95 C98 119.8(4) . .
C94 C95 C98 118.9(4) . .
C95 C96 C91 122.4(4) . .
F91B C97 F93B 108(3) . .
F91B C97 F92B 99(2) . .
F93B C97 F92B 105(2) . .
F93A C97 F91A 107.1(5) . .
F93A C97 F92A 106.3(5) . .
F91A C97 F92A 103.4(4) . .
F93A C97 C93 113.8(4) . .
F91B C97 C93 112.9(15) . .
F93B C97 C93 119.6(18) . .
F92B C97 C93 110.6(14) . .
F91A C97 C93 112.0(4) . .
F92A C97 C93 113.5(4) . .
F95B C98 F94B 105.8(10) . .
F95A C98 F94A 105.0(5) . .
F95B C98 F96B 105.5(10) . .
F94B C98 F96B 106.8(10) . .
F95A C98 F96A 105.9(5) . .
F94A C98 F96A 102.1(5) . .
F95B C98 C95 112.9(8) . .
F95A C98 C95 115.1(4) . .
F94B C98 C95 111.3(7) . .
F94A C98 C95 114.2(4) . .
F96B C98 C95 113.9(7) . .
F96A C98 C95 113.3(4) . .
C102 C101 C106 115.3(4) . .
C102 C101 B 122.8(3) . .
C106 C101 B 121.2(3) . .
C103 C102 C101 122.6(4) . .
C104 C103 C102 120.3(4) . .
C104 C103 C107 119.2(4) . .
C102 C103 C107 120.4(4) . .
C103 C104 C105 118.5(4) . .
C106 C105 C104 120.8(4) . .
C106 C105 C108 120.0(4) . .
C104 C105 C108 119.3(4) . .
C105 C106 C101 122.4(4) . .
F103 C107 F101 106.1(4) . .
F103 C107 F102 106.2(4) . .
F101 C107 F102 105.4(4) . .
F103 C107 C103 113.2(4) . .
F101 C107 C103 113.5(3) . .
F102 C107 C103 111.9(4) . .
F15B C108 F16B 106.3(11) . .
F15A C108 F16A 107.4(5) . .
F15B C108 F14B 110.9(12) . .
F16B C108 F14B 110.5(12) . .
F15A C108 F14A 103.6(5) . .
F16A C108 F14A 104.6(6) . .
F15A C108 C105 115.5(4) . .
F15B C108 C105 111.8(8) . .
F16B C108 C105 109.2(9) . .
F16A C108 C105 113.5(4) . .
F14B C108 C105 108.1(8) . .
F14A C108 C105 111.2(5) . .
C91 B C71 112.6(3) . .
C91 B C101 114.9(3) . .
C71 B C101 102.1(3) . .
C91 B C81B 102.0(6) . .
C71 B C81B 114.4(5) . .
C101 B C81B 111.3(5) . .
C91 B C81A 103.7(5) . .
C71 B C81A 110.5(4) . .
C101 B C81A 113.4(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag C1 2.110(4) .
Ag C25 2.348(4) 2
Ag C24 2.444(4) 2
N1 C1 1.363(5) .
N1 C2 1.378(5) .
N1 C4 1.508(4) .
N2 C1 1.364(5) .
N2 C3 1.389(5) .
N2 C5 1.498(5) .
C2 C3 1.340(6) .
C4 C21 1.527(6) .
C4 C31 1.544(5) .
C4 C11 1.566(5) .
C5 C41 1.532(6) .
C5 C51 1.548(6) .
C5 C61 1.550(6) .
C11 C12 1.396(6) .
C11 C16 1.397(6) .
C12 C13 1.391(5) .
C13 C14 1.375(7) .
C14 C15 1.377(6) .
C15 C16 1.370(5) .
C21 C26 1.389(5) .
C21 C22 1.400(5) .
C22 C23 1.382(6) .
C23 C24 1.379(6) .
C24 C25 1.395(6) .
C25 C26 1.402(6) .
C31 C36 1.391(5) .
C31 C32 1.396(6) .
C32 C33 1.392(6) .
C33 C34 1.380(6) .
C34 C35 1.375(7) .
C35 C36 1.378(6) .
C41 C46 1.384(7) .
C41 C42 1.396(7) .
C42 C43 1.406(8) .
C43 C44 1.355(9) .
C44 C45 1.359(9) .
C45 C46 1.386(7) .
C51 C56 1.381(6) .
C51 C52 1.385(6) .
C52 C53 1.389(7) .
C53 C54 1.362(8) .
C54 C55 1.375(8) .
C55 C56 1.385(6) .
C61 C66 1.371(6) .
C61 C62 1.383(6) .
C62 C63 1.362(7) .
C63 C64 1.369(9) .
C64 C65 1.387(8) .
C65 C66 1.388(7) .
F71A C77 1.300(5) .
F72A C77 1.293(5) .
F73A C77 1.321(5) .
F71B C77 1.295(8) .
F72B C77 1.287(8) .
F73B C77 1.310(8) .
F74A C78 1.322(6) .
F75A C78 1.282(5) .
F76A C78 1.291(5) .
F74B C78 1.332(7) .
F75B C78 1.279(7) .
F76B C78 1.280(7) .
F81A C87A 1.317(7) .
F82A C87A 1.314(8) .
F83A C87A 1.311(7) .
F84A C88A 1.298(7) .
F85A C88A 1.296(7) .
F86A C88A 1.292(8) .
F81B C87B 1.310(7) .
F82B C87B 1.312(8) .
F83B C87B 1.311(8) .
F84B C88B 1.296(7) .
F85B C88B 1.293(7) .
F86B C88B 1.296(7) .
F91A C97 1.322(5) .
F92A C97 1.331(5) .
F93A C97 1.316(5) .
F91B C97 1.316(9) .
F92B C97 1.320(8) .
F93B C97 1.318(9) .
F94A C98 1.291(5) .
F95A C98 1.285(5) .
F96A C98 1.311(5) .
F94B C98 1.290(7) .
F95B C98 1.278(8) .
F96B C98 1.296(8) .
F101 C107 1.329(5) .
F102 C107 1.344(5) .
F103 C107 1.327(5) .
F14A C108 1.318(5) .
F15A C108 1.298(5) .
F16A C108 1.305(5) .
F14B C108 1.318(8) .
F15B C108 1.299(8) .
F16B C108 1.302(8) .
C71 C72 1.392(5) .
C71 C76 1.410(5) .
C71 B 1.639(6) .
C72 C73 1.392(5) .
C73 C74 1.385(6) .
C73 C77 1.484(6) .
C74 C75 1.394(6) .
C75 C76 1.379(5) .
C75 C78 1.496(6) .
C81A C82A 1.3900 .
C81A C86A 1.3900 .
C81A B 1.679(6) .
C82A C83A 1.3900 .
C83A C84A 1.3900 .
C83A C87A 1.507(9) .
C84A C85A 1.3900 .
C85A C86A 1.3900 .
C85A C88A 1.503(8) .
C81B C82B 1.3900 .
C81B C86B 1.3900 .
C81B B 1.673(7) .
C82B C83B 1.3900 .
C83B C84B 1.3900 .
C83B C87B 1.510(10) .
C84B C85B 1.3900 .
C85B C86B 1.3900 .
C85B C88B 1.498(9) .
C91 C92 1.396(5) .
C91 C96 1.405(5) .
C91 B 1.629(6) .
C92 C93 1.386(6) .
C93 C94 1.388(6) .
C93 C97 1.505(6) .
C94 C95 1.392(6) .
C95 C96 1.384(6) .
C95 C98 1.490(5) .
C101 C102 1.396(5) .
C101 C106 1.402(5) .
C101 B 1.640(6) .
C102 C103 1.390(5) .
C103 C104 1.381(6) .
C103 C107 1.493(6) .
C104 C105 1.381(6) .
C105 C106 1.381(6) .
C105 C108 1.506(6) .
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 4.5(5) . .
C4 N1 C1 N2 -177.5(3) . .
C2 N1 C1 Ag -176.1(3) . .
C4 N1 C1 Ag 1.9(6) . .
C3 N2 C1 N1 -5.3(5) . .
C5 N2 C1 N1 -179.9(4) . .
C3 N2 C1 Ag 175.3(3) . .
C5 N2 C1 Ag 0.7(6) . .
C1 N1 C2 C3 -2.0(6) . .
C4 N1 C2 C3 -179.9(4) . .
N1 C2 C3 N2 -1.4(6) . .
C1 N2 C3 C2 4.3(6) . .
C5 N2 C3 C2 179.0(4) . .
C1 N1 C4 C21 -90.4(4) . .
C2 N1 C4 C21 87.3(5) . .
C1 N1 C4 C31 32.8(5) . .
C2 N1 C4 C31 -149.4(4) . .
C1 N1 C4 C11 152.0(4) . .
C2 N1 C4 C11 -30.3(6) . .
C1 N2 C5 C41 86.4(5) . .
C3 N2 C5 C41 -87.5(5) . .
C1 N2 C5 C51 -38.0(6) . .
C3 N2 C5 C51 148.2(4) . .
C1 N2 C5 C61 -150.5(4) . .
C3 N2 C5 C61 35.6(6) . .
N1 C4 C11 C12 -110.4(4) . .
C21 C4 C11 C12 130.5(4) . .
C31 C4 C11 C12 7.3(5) . .
N1 C4 C11 C16 75.1(4) . .
C21 C4 C11 C16 -44.0(4) . .
C31 C4 C11 C16 -167.2(3) . .
C16 C11 C12 C13 -1.3(6) . .
C4 C11 C12 C13 -176.0(4) . .
C11 C12 C13 C14 0.1(6) . .
C12 C13 C14 C15 0.0(7) . .
C13 C14 C15 C16 1.1(6) . .
C14 C15 C16 C11 -2.4(6) . .
C12 C11 C16 C15 2.4(6) . .
C4 C11 C16 C15 177.2(4) . .
N1 C4 C21 C26 15.3(5) . .
C31 C4 C21 C26 -104.8(4) . .
C11 C4 C21 C26 133.9(4) . .
N1 C4 C21 C22 -161.7(3) . .
C31 C4 C21 C22 78.2(4) . .
C11 C4 C21 C22 -43.2(5) . .
C26 C21 C22 C23 0.1(6) . .
C4 C21 C22 C23 177.3(4) . .
C21 C22 C23 C24 -0.2(6) . .
C22 C23 C24 C25 -0.1(6) . .
C22 C23 C24 Ag 74.2(4) . 2
C23 C24 C25 C26 0.6(6) . .
Ag C24 C25 C26 -95.6(4) 2 .
C23 C24 C25 Ag 96.2(4) . 2
C22 C21 C26 C25 0.4(6) . .
C4 C21 C26 C25 -176.7(4) . .
C24 C25 C26 C21 -0.7(6) . .
Ag C25 C26 C21 -82.1(4) 2 .
N1 C4 C31 C36 -134.5(4) . .
C21 C4 C31 C36 -13.1(5) . .
C11 C4 C31 C36 106.9(4) . .
N1 C4 C31 C32 49.0(4) . .
C21 C4 C31 C32 170.4(3) . .
C11 C4 C31 C32 -69.6(4) . .
C36 C31 C32 C33 -0.4(6) . .
C4 C31 C32 C33 176.2(3) . .
C31 C32 C33 C34 -0.7(6) . .
C32 C33 C34 C35 0.5(6) . .
C33 C34 C35 C36 0.7(6) . .
C34 C35 C36 C31 -1.8(6) . .
C32 C31 C36 C35 1.6(6) . .
C4 C31 C36 C35 -174.9(4) . .
N2 C5 C41 C46 -96.8(5) . .
C51 C5 C41 C46 25.9(5) . .
C61 C5 C41 C46 143.3(4) . .
N2 C5 C41 C42 78.7(5) . .
C51 C5 C41 C42 -158.6(4) . .
C61 C5 C41 C42 -41.3(6) . .
C46 C41 C42 C43 -3.8(8) . .
C5 C41 C42 C43 -179.5(5) . .
C41 C42 C43 C44 1.2(9) . .
C42 C43 C44 C45 1.3(9) . .
C43 C44 C45 C46 -1.0(9) . .
C42 C41 C46 C45 4.2(7) . .
C5 C41 C46 C45 179.7(4) . .
C44 C45 C46 C41 -1.8(8) . .
N2 C5 C51 C56 -30.7(5) . .
C41 C5 C51 C56 -150.5(4) . .
C61 C5 C51 C56 85.9(4) . .
N2 C5 C51 C52 158.5(4) . .
C41 C5 C51 C52 38.6(5) . .
C61 C5 C51 C52 -85.0(5) . .
C56 C51 C52 C53 2.0(7) . .
C5 C51 C52 C53 173.2(5) . .
C51 C52 C53 C54 0.0(8) . .
C52 C53 C54 C55 -2.0(8) . .
C53 C54 C55 C56 2.1(8) . .
C52 C51 C56 C55 -1.9(6) . .
C5 C51 C56 C55 -172.9(4) . .
C54 C55 C56 C51 -0.2(7) . .
N2 C5 C61 C66 38.9(6) . .
C41 C5 C61 C66 157.1(4) . .
C51 C5 C61 C66 -79.3(5) . .
N2 C5 C61 C62 -150.5(5) . .
C41 C5 C61 C62 -32.3(6) . .
C51 C5 C61 C62 91.3(5) . .
C66 C61 C62 C63 -1.8(9) . .
C5 C61 C62 C63 -172.7(6) . .
C61 C62 C63 C64 -0.8(11) . .
C62 C63 C64 C65 2.4(11) . .
C63 C64 C65 C66 -1.5(10) . .
C62 C61 C66 C65 2.7(8) . .
C5 C61 C66 C65 173.5(5) . .
C64 C65 C66 C61 -1.1(9) . .
C76 C71 C72 C73 0.4(6) . .
B C71 C72 C73 172.2(4) . .
C71 C72 C73 C74 -1.1(6) . .
C71 C72 C73 C77 -179.6(4) . .
C72 C73 C74 C75 0.8(6) . .
C77 C73 C74 C75 179.3(4) . .
C73 C74 C75 C76 0.2(7) . .
C73 C74 C75 C78 -179.0(4) . .
C74 C75 C76 C71 -0.9(7) . .
C78 C75 C76 C71 178.3(4) . .
C72 C71 C76 C75 0.7(6) . .
B C71 C76 C75 -171.3(4) . .
C74 C73 C77 F72B 64.7(16) . .
C72 C73 C77 F72B -116.9(16) . .
C74 C73 C77 F72A -117.0(6) . .
C72 C73 C77 F72A 61.5(7) . .
C74 C73 C77 F71B -171.2(12) . .
C72 C73 C77 F71B 7.2(13) . .
C74 C73 C77 F71A 8.7(7) . .
C72 C73 C77 F71A -172.9(5) . .
C74 C73 C77 F73B -56.1(14) . .
C72 C73 C77 F73B 122.3(14) . .
C74 C73 C77 F73A 124.1(6) . .
C72 C73 C77 F73A -57.4(6) . .
C76 C75 C78 F75B 178.0(11) . .
C74 C75 C78 F75B -2.7(12) . .
C76 C75 C78 F76B -52.0(9) . .
C74 C75 C78 F76B 127.2(8) . .
C76 C75 C78 F75A -6.1(10) . .
C74 C75 C78 F75A 173.1(9) . .
C76 C75 C78 F76A 120.9(7) . .
C74 C75 C78 F76A -59.9(8) . .
C76 C75 C78 F74A -125.3(7) . .
C74 C75 C78 F74A 53.9(8) . .
C76 C75 C78 F74B 59.5(9) . .
C74 C75 C78 F74B -121.3(8) . .
C86A C81A C82A C83A 0.0 . .
B C81A C82A C83A -172.2(9) . .
C81A C82A C83A C84A 0.0 . .
C81A C82A C83A C87A 177.8(8) . .
C82A C83A C84A C85A 0.0 . .
C87A C83A C84A C85A -177.6(9) . .
C83A C84A C85A C86A 0.0 . .
C83A C84A C85A C88A 179.7(10) . .
C84A C85A C86A C81A 0.0 . .
C88A C85A C86A C81A -179.6(12) . .
C82A C81A C86A C85A 0.0 . .
B C81A C86A C85A 173.2(8) . .
C84A C83A C87A F83A -41.1(10) . .
C82A C83A C87A F83A 141.2(7) . .
C84A C83A C87A F82A 78.5(10) . .
C82A C83A C87A F82A -99.2(10) . .
C84A C83A C87A F81A -165.0(7) . .
C82A C83A C87A F81A 17.3(10) . .
C84A C85A C88A F86A -69.8(13) . .
C86A C85A C88A F86A 109.9(12) . .
C84A C85A C88A F85A 172.7(13) . .
C86A C85A C88A F85A -7.6(16) . .
C84A C85A C88A F84A 54.9(15) . .
C86A C85A C88A F84A -125.5(13) . .
C86B C81B C82B C83B 0.0 . .
B C81B C82B C83B -172.2(9) . .
C81B C82B C83B C84B 0.0 . .
C81B C82B C83B C87B 177.1(11) . .
C82B C83B C84B C85B 0.0 . .
C87B C83B C84B C85B -177.4(10) . .
C83B C84B C85B C86B 0.0 . .
C83B C84B C85B C88B 167.0(12) . .
C84B C85B C86B C81B 0.0 . .
C88B C85B C86B C81B -168.1(12) . .
C82B C81B C86B C85B 0.0 . .
B C81B C86B C85B 170.8(11) . .
C82B C83B C87B F81B 99.5(14) . .
C84B C83B C87B F81B -83.2(14) . .
C82B C83B C87B F83B -24.8(14) . .
C84B C83B C87B F83B 152.4(8) . .
C82B C83B C87B F82B -138.3(10) . .
C84B C83B C87B F82B 38.9(11) . .
C84B C85B C88B F85B 30.5(15) . .
C86B C85B C88B F85B -161.8(11) . .
C84B C85B C88B F84B -95.9(18) . .
C86B C85B C88B F84B 71.7(19) . .
C84B C85B C88B F86B 147.6(10) . .
C86B C85B C88B F86B -44.7(12) . .
C96 C91 C92 C93 0.8(6) . .
B C91 C92 C93 172.0(4) . .
C91 C92 C93 C94 -1.0(7) . .
C91 C92 C93 C97 178.6(4) . .
C92 C93 C94 C95 0.6(6) . .
C97 C93 C94 C95 -179.0(4) . .
C93 C94 C95 C96 -0.1(6) . .
C93 C94 C95 C98 180.0(4) . .
C94 C95 C96 C91 0.0(6) . .
C98 C95 C96 C91 179.9(4) . .
C92 C91 C96 C95 -0.3(6) . .
B C91 C96 C95 -171.4(4) . .
C92 C93 C97 F93A 169.6(6) . .
C94 C93 C97 F93A -10.8(8) . .
C92 C93 C97 F91B 114(2) . .
C94 C93 C97 F91B -67(2) . .
C92 C93 C97 F93B -15(3) . .
C94 C93 C97 F93B 165(2) . .
C92 C93 C97 F92B -136.5(18) . .
C94 C93 C97 F92B 43.1(19) . .
C92 C93 C97 F91A -68.8(6) . .
C94 C93 C97 F91A 110.8(5) . .
C92 C93 C97 F92A 47.9(6) . .
C94 C93 C97 F92A -132.5(5) . .
C96 C95 C98 F95B -49.9(11) . .
C94 C95 C98 F95B 130.0(10) . .
C96 C95 C98 F95A 131.0(6) . .
C94 C95 C98 F95A -49.1(7) . .
C96 C95 C98 F94B 68.9(9) . .
C94 C95 C98 F94B -111.2(9) . .
C96 C95 C98 F94A -107.4(6) . .
C94 C95 C98 F94A 72.5(7) . .
C96 C95 C98 F96B -170.2(10) . .
C94 C95 C98 F96B 9.7(10) . .
C96 C95 C98 F96A 9.0(7) . .
C94 C95 C98 F96A -171.1(6) . .
C106 C101 C102 C103 -0.5(6) . .
B C101 C102 C103 -171.2(4) . .
C101 C102 C103 C104 0.4(6) . .
C101 C102 C103 C107 -178.1(4) . .
C102 C103 C104 C105 0.4(6) . .
C107 C103 C104 C105 178.9(4) . .
C103 C104 C105 C106 -1.1(7) . .
C103 C104 C105 C108 178.1(4) . .
C104 C105 C106 C101 1.0(7) . .
C108 C105 C106 C101 -178.2(4) . .
C102 C101 C106 C105 -0.2(6) . .
B C101 C106 C105 170.6(4) . .
C104 C103 C107 F103 32.4(6) . .
C102 C103 C107 F103 -149.1(4) . .
C104 C103 C107 F101 153.4(4) . .
C102 C103 C107 F101 -28.0(6) . .
C104 C103 C107 F102 -87.5(5) . .
C102 C103 C107 F102 91.0(5) . .
C106 C105 C108 F15A 11.8(7) . .
C104 C105 C108 F15A -167.4(5) . .
C106 C105 C108 F15B -169.2(10) . .
C104 C105 C108 F15B 11.6(11) . .
C106 C105 C108 F16B -51.9(11) . .
C104 C105 C108 F16B 128.9(11) . .
C106 C105 C108 F16A 136.4(6) . .
C104 C105 C108 F16A -42.8(7) . .
C106 C105 C108 F14B 68.4(11) . .
C104 C105 C108 F14B -110.8(11) . .
C106 C105 C108 F14A -106.0(6) . .
C104 C105 C108 F14A 74.8(7) . .
C92 C91 B C71 40.8(5) . .
C96 C91 B C71 -148.7(4) . .
C92 C91 B C101 157.1(3) . .
C96 C91 B C101 -32.4(5) . .
C92 C91 B C81B -82.3(5) . .
C96 C91 B C81B 88.2(5) . .
C92 C91 B C81A -78.6(5) . .
C96 C91 B C81A 91.9(5) . .
C72 C71 B C91 31.1(5) . .
C76 C71 B C91 -157.5(4) . .
C72 C71 B C101 -92.6(4) . .
C76 C71 B C101 78.7(4) . .
C72 C71 B C81B 147.1(6) . .
C76 C71 B C81B -41.6(7) . .
C72 C71 B C81A 146.6(5) . .
C76 C71 B C81A -42.1(6) . .
C102 C101 B C91 -35.4(5) . .
C106 C101 B C91 154.5(4) . .
C102 C101 B C71 86.8(4) . .
C106 C101 B C71 -83.3(4) . .
C102 C101 B C81B -150.7(6) . .
C106 C101 B C81B 39.2(6) . .
C102 C101 B C81A -154.4(5) . .
C106 C101 B C81A 35.5(6) . .
C82B C81B B C91 80.4(7) . .
C86B C81B B C91 -91.0(8) . .
C82B C81B B C71 -41.6(8) . .
C86B C81B B C71 147.0(6) . .
C82B C81B B C101 -156.6(5) . .
C86B C81B B C101 32.0(9) . .
C82A C81A B C91 93.7(7) . .
C86A C81A B C91 -79.0(6) . .
C82A C81A B C71 -27.2(9) . .
C86A C81A B C71 160.1(5) . .
C82A C81A B C101 -141.1(6) . .
C86A C81A B C101 46.2(6) . .
