#------------------------------------------------------------------------------
#$Date: 2026-03-05 13:22:23 +0100 (Thu 05 de Mar de 2026) $
#$Revision: 304875 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/62/1576233.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_1576233
loop_
_publ_author_name
'Berg, Willi R.'
'Moshtaha, Amina L.'
'Sievers, Robin'
'Reimann, Marc'
'Streit, Tim-Niclas'
'Rupf, Susanne M.'
'Kaupp, Martin'
'Malischewski, Moritz'
_publ_section_title
;
 A facile route to 'naked' Ag⁺ ions enabling the coordination
 of the weak Lewis base Ni(CO)₄.
;
_journal_issue                   1
_journal_name_full               'Chemical science'
_journal_page_first              406
_journal_page_last               411
_journal_paper_doi               10.1039/d5sc05589j
_journal_volume                  17
_journal_year                    2026
_chemical_formula_moiety         'C18 H12 Ag F6, B2 C37 F30 N'
_chemical_formula_sum            'C55 H12 Ag B2 F36 N'
_chemical_formula_weight         1500.15
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2024-09-26
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2025-07-10 deposited with the CCDC.	2025-11-06 downloaded from the CCDC.
;
_cell_angle_alpha                111.9500(10)
_cell_angle_beta                 96.586(2)
_cell_angle_gamma                109.0740(10)
_cell_formula_units_Z            2
_cell_length_a                   11.4773(4)
_cell_length_b                   15.0019(7)
_cell_length_c                   17.3790(7)
_cell_measurement_reflns_used    9247
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      25.36
_cell_measurement_theta_min      2.40
_cell_volume                     2525.49(18)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100.00
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_unetI/netI     0.0266
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            48637
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.361
_diffrn_reflns_theta_min         1.950
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.577
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6636
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0817 before and 0.0552 after correction.
The Ratio of minimum to maximum transmission is 0.8905.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.973
_exptl_crystal_description       block
_exptl_crystal_F_000             1460
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.373
_refine_diff_density_min         -1.025
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       0.00064(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     938
_refine_ls_number_reflns         9238
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0277P)²+2.8833P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0745
_refine_ls_wR_factor_ref         0.0805
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8149
_reflns_number_total             9238
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc05589j2.cif
_cod_data_source_block           p-1_final
_cod_depositor_comments
'Adding full bibliography for 1576233--1576234.cif.'
_cod_original_cell_volume        2525.48(18)
_cod_database_code               1576233
_shelx_shelxl_version_number     2018/3
_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_max   0.945
_shelx_estimated_absorpt_t_min   0.945
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Shared sites
{N1, C01}
{C02, N2}
3. Restrained distances
 F00V-C01Z \\sim F00V-C0
 with sigma of 0.02
 C01E-C01Z \\sim C01E-C0
 with sigma of 0.02
 C01W-C02C \\sim C01W-C1
 with sigma of 0.02
 C01Z-C02C \\sim C0-C1
 with sigma of 0.02
 C01Z-F3 \\sim C0-F3
 with sigma of 0.02
 C02C-F4 \\sim C1-F4
 with sigma of 0.02
 C02C-F9 \\sim C1-F9
 with sigma of 0.02
 F00V-C02C \\sim F00V-C1
 with sigma of 0.04
 C01E-C02C \\sim C01E-C1
 with sigma of 0.04
 C01W-C01Z \\sim C01W-C0
 with sigma of 0.04
 C01Z-F4 \\sim C0-F4
 with sigma of 0.04
 C01Z-F9 \\sim C0-F9
 with sigma of 0.04
 C02C-F3 \\sim C1-F3
 with sigma of 0.04
4. Uiso/Uaniso restraints and constraints
Uanis(C02) = Uanis(N2)
Uanis(N1) = Uanis(C01)
Uanis(C4) = Uanis(C5) = Uanis(C9) = Uanis(C2A)
Uanis(C01Z) = Uanis(C02C) = Uanis(C0) = Uanis(C1)
5. Others
 Fixed Sof: F00V(0.5) C02(0.5) N1(0.5) C01Z(0.5) C02C(0.5) H02D(0.5) F1(0.5)
 H02G(0.5) F4(0.5) C5(0.5) H5(0.5) C7(0.5) H7(0.5) C9(0.5) H9(0.5) F6(0.5)
 F5(0.5) C6(0.5) H6(0.5) C3(0.5) C8(0.5) F7(0.5) F8(0.5) C4(0.5) H4(0.5)
 C7A(0.5) C6A(0.5) C2A(0.5) H2A(0.5) C3A(0.5) H3A(0.5) C8A(0.5) H8A(0.5)
 C01(0.5) N2(0.5) F2(0.5) F9(0.5) F3(0.5) C0(0.5) C1(0.5)
6.a Aromatic/amide H refined with riding coordinates:
 C024(H024), C025(H025), C026(H026), C027(H027), C029(H029), C02B(H02B),
 C02D(H02D), C02E(H02E), C02G(H02G), C5(H5), C7(H7), C9(H9), C6(H6), C4(H4),
 C2A(H2A), C3A(H3A), C8A(H8A)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
Ag01 Ag 0.72062(2) 0.97406(2) 0.72737(2) 0.03342(8) Uani 1 1 d . . . . .
F002 F 0.59671(12) 0.35622(10) 0.54823(8) 0.0233(3) Uani 1 1 d . . . . .
F003 F 0.95422(12) 0.66905(10) 0.61411(8) 0.0231(3) Uani 1 1 d . . . . .
F004 F 0.62273(14) 0.62773(11) 1.01791(8) 0.0272(3) Uani 1 1 d . . . . .
F005 F 0.91394(13) 0.69455(10) 0.79092(9) 0.0269(3) Uani 1 1 d . . . . .
F006 F 0.52337(14) 0.29688(10) 0.85829(9) 0.0289(3) Uani 1 1 d . . . . .
F007 F 0.61898(14) 0.62992(11) 0.74557(8) 0.0288(3) Uani 1 1 d . . . . .
F008 F 0.48287(13) 0.37368(11) 0.41580(9) 0.0287(3) Uani 1 1 d . . . . .
F009 F 0.83705(14) 0.68613(11) 0.48331(9) 0.0298(3) Uani 1 1 d . . . . .
F00A F 0.86459(13) 0.62944(11) 0.95842(9) 0.0302(3) Uani 1 1 d . . . . .
F00B F 0.63930(14) 0.82527(11) 1.08239(9) 0.0323(3) Uani 1 1 d . . . . .
F00C F 0.53247(14) 0.29395(11) 0.68386(9) 0.0335(3) Uani 1 1 d . . . . .
F00D F 0.98426(14) 0.59040(12) 1.07502(9) 0.0329(3) Uani 1 1 d . . . . .
F00E F 0.59958(15) 0.54194(12) 0.38346(9) 0.0339(3) Uani 1 1 d . . . . .
F00F F 0.37341(14) 0.51482(12) 0.87484(10) 0.0375(4) Uani 1 1 d . . . . .
F00G F 1.10701(14) 0.46742(12) 0.64993(11) 0.0395(4) Uani 1 1 d . . . . .
F00H F 1.14533(15) 0.84318(11) 0.88408(9) 0.0356(4) Uani 1 1 d . . . . .
F00I F 0.09198(15) 0.20666(13) 0.63753(11) 0.0430(4) Uani 1 1 d . . . . .
F00J F 0.64537(16) 0.25997(12) 0.97430(11) 0.0399(4) Uani 1 1 d . . . . .
F00K F 0.84804(16) 0.17932(11) 0.40537(11) 0.0390(4) Uani 1 1 d . . . . .
F00L F 1.35929(14) 0.80552(12) 0.86424(11) 0.0410(4) Uani 1 1 d . . . . .
F00M F 0.63411(16) 0.92265(11) 0.97952(10) 0.0391(4) Uani 1 1 d . . . . .
F00N F 0.62545(16) 0.82230(12) 0.81022(10) 0.0385(4) Uani 1 1 d . . . . .
F00O F 0.87913(19) 0.37895(12) 0.48665(12) 0.0473(5) Uani 1 1 d . . . . .
F00P F 0.13652(14) 0.38213(13) 0.78216(12) 0.0424(4) Uani 1 1 d . . . . .
F00Q F 0.87819(16) 0.40536(14) 1.08364(11) 0.0441(4) Uani 1 1 d . . . . .
F00R F 0.29382(16) 0.16531(12) 0.58947(10) 0.0454(4) Uani 1 1 d . . . . .
F00S F 0.80333(18) 0.05412(12) 0.48686(11) 0.0475(4) Uani 1 1 d . . . . .
F00T F 1.33514(14) 0.61594(14) 0.74459(13) 0.0529(5) Uani 1 1 d . . . . .
F00U F 1.15390(16) 1.05066(14) 0.68886(13) 0.0542(5) Uani 1 1 d . . . . .
F00V F 0.8448(5) 0.3357(5) 0.7334(4) 0.0277(11) Uani 0.5 1 d . . P A 1
F00W F 1.12666(17) 1.20100(16) 0.86790(13) 0.0589(5) Uani 1 1 d . . . . .
F00X F 1.07778(17) 1.09461(16) 0.96334(12) 0.0566(5) Uani 1 1 d . . . . .
C02 C 0.76590(19) 0.48742(15) 0.72491(13) 0.0189(4) Uani 0.5 1 d . . P B 2
N1 N 0.7007(2) 0.49283(16) 0.76995(13) 0.0209(4) Uani 0.5 1 d . . P B 2
C011 C 0.9968(2) 0.57177(18) 0.71668(14) 0.0207(5) Uani 1 1 d . . . . .
C012 C 0.7825(2) 0.51036(17) 0.58780(13) 0.0174(4) Uani 1 1 d . . . . .
C013 C 1.0164(2) 0.67044(18) 0.77847(15) 0.0207(5) Uani 1 1 d . . . . .
C014 C 0.6608(2) 0.44021(17) 0.53453(14) 0.0187(4) Uani 1 1 d . . . . .
C015 C 0.8371(2) 0.59363(17) 0.56788(14) 0.0188(4) Uani 1 1 d . . . . .
C016 C 0.7779(2) 0.60436(18) 0.49996(14) 0.0220(5) Uani 1 1 d . . . . .
C017 C 0.5996(2) 0.44738(18) 0.46588(14) 0.0215(5) Uani 1 1 d . . . . .
C018 C 0.6365(2) 0.37435(18) 0.91167(15) 0.0224(5) Uani 1 1 d . . . . .
C019 C 0.6845(2) 0.46790(18) 0.90504(14) 0.0208(5) Uani 1 1 d . . . . .
C01A C 0.4674(2) 0.41507(18) 0.78189(14) 0.0207(5) Uani 1 1 d . . . . .
C01B C 0.6240(2) 0.61904(18) 0.87879(14) 0.0206(5) Uani 1 1 d . . . . .
C01C C 0.6275(2) 0.67405(18) 0.96429(15) 0.0220(5) Uani 1 1 d . . . . .
C01D C 0.4375(2) 0.32217(19) 0.70910(15) 0.0250(5) Uani 1 1 d . . . . .
C01E C 0.8447(2) 0.36430(18) 0.61383(15) 0.0215(5) Uani 1 1 d D . . . .
C01F C 0.6585(2) 0.53089(19) 0.44832(15) 0.0245(5) Uani 1 1 d . . . . .
C01G C 0.8041(2) 0.53717(18) 0.96150(15) 0.0233(5) Uani 1 1 d . . . . .
C01H C 0.8402(2) 0.21761(18) 0.48670(16) 0.0254(5) Uani 1 1 d . . . . .
C01I C 0.6248(2) 0.67446(19) 0.83019(15) 0.0237(5) Uani 1 1 d . . . . .
C01J C 0.8537(2) 0.32010(18) 0.53007(17) 0.0249(5) Uani 1 1 d . . . . .
C01K C 0.6321(2) 0.77467(19) 0.99894(15) 0.0249(5) Uani 1 1 d . . . . .
C01L C 0.8689(2) 0.51903(19) 1.02194(15) 0.0253(5) Uani 1 1 d . . . . .
C01M C 0.8154(3) 0.4254(2) 1.02641(16) 0.0290(5) Uani 1 1 d . . . . .
C01N C 0.6313(2) 0.82492(19) 0.94704(17) 0.0282(5) Uani 1 1 d . . . . .
C01O C 0.2124(2) 0.2731(2) 0.68409(17) 0.0308(6) Uani 1 1 d . . . . .
C01P C 0.6990(3) 0.35285(19) 0.97101(17) 0.0281(5) Uani 1 1 d . . . . .
C01Q C 0.3607(2) 0.43045(18) 0.80356(16) 0.0261(5) Uani 1 1 d . . . . .
C01R C 1.2430(2) 0.7307(2) 0.81646(16) 0.0293(5) Uani 1 1 d . . . . .
C01S C 1.1093(2) 0.55845(19) 0.70832(16) 0.0279(5) Uani 1 1 d . . . . .
C01T C 1.1346(2) 0.74888(18) 0.82698(15) 0.0255(5) Uani 1 1 d . . . . .
C01U C 0.6275(2) 0.7742(2) 0.86229(16) 0.0275(5) Uani 1 1 d . . . . .
C01V C 0.3146(3) 0.25287(19) 0.66021(15) 0.0303(6) Uani 1 1 d . . . . .
C01W C 0.8166(3) 0.15402(19) 0.52753(18) 0.0335(6) Uani 1 1 d D . . . .
C01X C 0.2359(2) 0.3622(2) 0.75678(17) 0.0299(5) Uani 1 1 d . . . . .
C01Y C 1.2301(2) 0.6348(2) 0.75643(18) 0.0333(6) Uani 1 1 d . . . . .
C01Z C 0.8407(10) 0.3002(8) 0.6553(7) 0.0250(14) Uani 0.5 1 d D . P A 1
C021 C 0.9814(3) 1.1096(2) 0.92491(17) 0.0384(7) Uani 1 1 d . . . . .
C022 C 1.0385(3) 0.9831(2) 0.6833(2) 0.0415(7) Uani 1 1 d . . . . .
C023 C 1.0074(3) 1.1644(2) 0.87568(18) 0.0405(7) Uani 1 1 d . . . . .
C024 C 0.8050(3) 0.8428(2) 0.6729(2) 0.0409(7) Uani 1 1 d . . . . .
H024 H 0.724653 0.793827 0.669221 0.049 Uiso 1 1 calc R U . . .
C025 C 0.7649(3) 1.0873(2) 0.89417(18) 0.0401(7) Uani 1 1 d . . . . .
H025 H 0.681063 1.061445 0.900640 0.048 Uiso 1 1 calc R U . . .
C026 C 0.8618(3) 1.0694(2) 0.93372(17) 0.0391(7) Uani 1 1 d . . . . .
H026 H 0.844745 1.029980 0.966095 0.047 Uiso 1 1 calc R U . . .
C027 C 0.9129(3) 1.1810(2) 0.83508(18) 0.0407(7) Uani 1 1 d . . . . .
H027 H 0.930419 1.217656 0.800673 0.049 Uiso 1 1 calc R U . . .
B028 B 0.8529(2) 0.4846(2) 0.65989(16) 0.0187(5) Uani 1 1 d . . . . .
C029 C 0.8167(3) 0.8801(2) 0.61113(19) 0.0470(8) Uani 1 1 d . . . . .
H029 H 0.744573 0.857492 0.565040 0.056 Uiso 1 1 calc R U . . .
B02A B 0.6149(3) 0.4982(2) 0.83654(16) 0.0210(5) Uani 1 1 d . . . . .
C02B C 0.7906(3) 1.1430(2) 0.84513(17) 0.0402(7) Uani 1 1 d . . . . .
H02B H 0.724205 1.155138 0.818403 0.048 Uiso 1 1 calc R U . . .
C02C C 0.8306(7) 0.1981(7) 0.6125(5) 0.0250(14) Uani 0.5 1 d D . P A 1
C02D C 1.0272(3) 0.9463(3) 0.7442(3) 0.0506(8) Uani 1 1 d . . . . .
H02D H 1.100201 0.968825 0.789536 0.061 Uiso 0.5 1 calc R U P C 1
C02E C 0.9112(3) 0.8770(2) 0.7403(2) 0.0494(8) Uani 1 1 d . . . . .
H02E H 0.903365 0.852565 0.783357 0.059 Uiso 1 1 calc R U . . .
F1 F 1.1331(3) 0.9691(3) 0.7915(2) 0.0491(9) Uani 0.5 1 d . . P D 2
C02G C 0.9357(3) 0.9515(3) 0.61754(19) 0.0534(9) Uani 1 1 d . . . . .
H02G H 0.944834 0.978024 0.575780 0.064 Uiso 0.5 1 calc R U P E 2
F4 F 0.8233(4) 0.1386(3) 0.6517(3) 0.0336(8) Uani 0.5 1 d . . P A 1
C5 C 0.4919(17) 0.8713(17) 0.6254(13) 0.035(2) Uani 0.5 1 d . . P F 1
H5 H 0.513559 0.814607 0.594505 0.042 Uiso 0.5 1 calc R U P F 1
C7 C 0.5375(8) 0.9659(7) 0.6153(6) 0.0339(19) Uani 0.5 1 d . . P F 1
H7 H 0.585015 0.971133 0.574704 0.041 Uiso 0.5 1 calc R U P F 1
C9 C 0.4348(10) 1.0385(6) 0.7219(9) 0.035(2) Uani 0.5 1 d . . P F 1
H9 H 0.413700 1.094604 0.755155 0.042 Uiso 0.5 1 calc R U P F 1
F6 F 0.4760(3) 1.0760(3) 0.5826(3) 0.0516(9) Uani 0.5 1 d . . P F 2
F5 F 0.5086(3) 0.8981(3) 0.5181(2) 0.0497(9) Uani 0.5 1 d . . P F 2
C6 C 0.5115(8) 1.0496(7) 0.6652(6) 0.041(2) Uani 0.5 1 d . . P F 1
H6 H 0.545053 1.114311 0.661442 0.049 Uiso 0.5 1 calc R U P F 1
C3 C 0.3923(7) 0.9472(6) 0.7278(5) 0.0348(16) Uani 0.5 1 d . . P F 1
C8 C 0.4189(6) 0.8637(5) 0.6785(5) 0.0291(13) Uani 0.5 1 d . . P F 1
F7 F 0.3676(3) 0.7728(3) 0.6839(3) 0.0485(9) Uani 0.5 1 d . . P F 1
F8 F 0.3185(4) 0.9360(3) 0.7809(3) 0.0557(10) Uani 0.5 1 d . . P F 1
C4 C 0.4810(17) 0.8714(18) 0.6381(13) 0.035(2) Uani 0.5 1 d . . P F 2
H4 H 0.491149 0.807123 0.613108 0.042 Uiso 0.5 1 calc R U P F 2
C7A C 0.4875(7) 0.9294(6) 0.5968(5) 0.0279(16) Uani 0.5 1 d . . P F 2
C6A C 0.4688(7) 1.0209(6) 0.6298(5) 0.0310(17) Uani 0.5 1 d . . P F 2
C2A C 0.4489(10) 1.0576(6) 0.7076(9) 0.035(2) Uani 0.5 1 d . . P F 2
H2A H 0.440383 1.122743 0.730551 0.042 Uiso 0.5 1 calc R U P F 2
C3A C 0.4405(7) 0.9993(8) 0.7548(5) 0.0407(18) Uani 0.5 1 d . . P F 2
H3A H 0.422732 1.023277 0.809190 0.049 Uiso 0.5 1 calc R U P F 2
C8A C 0.4582(6) 0.9067(6) 0.7226(5) 0.0351(14) Uani 0.5 1 d . . P F 2
H8A H 0.455391 0.867395 0.754899 0.042 Uiso 0.5 1 calc R U P F 2
C01 C 0.7007(2) 0.49283(16) 0.76995(13) 0.0209(4) Uani 0.5 1 d . . P B 1
N2 N 0.76590(19) 0.48742(15) 0.72491(13) 0.0189(4) Uani 0.5 1 d . . P B 1
F2 F 0.9659(3) 0.9677(3) 0.5569(2) 0.0500(9) Uani 0.5 1 d . . P G 1
F9 F 0.7561(4) 0.1260(3) 0.6516(3) 0.0322(8) Uani 0.5 1 d . . P A 2
F3 F 0.7960(5) 0.3266(5) 0.7374(4) 0.0272(11) Uani 0.5 1 d . . P A 2
C0 C 0.8085(10) 0.2942(8) 0.6499(7) 0.0250(14) Uani 0.5 1 d D . P A 2
C1 C 0.7893(7) 0.1906(7) 0.6089(5) 0.0250(14) Uani 0.5 1 d D . P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C024 Ag01 C025 121.77(11) . . ?
C024 Ag01 C029 31.98(11) . . ?
C024 Ag01 C5 99.0(3) . . ?
C024 Ag01 C7 115.8(2) . . ?
C024 Ag01 C4 101.6(4) . . ?
C029 Ag01 C025 143.84(10) . . ?
C029 Ag01 C7 94.1(2) . . ?
C029 Ag01 C4 97.3(3) . . ?
C02B Ag01 C024 136.81(11) . . ?
C02B Ag01 C025 31.70(10) . . ?
C02B Ag01 C029 136.22(11) . . ?
C02B Ag01 C5 123.9(3) . . ?
C02B Ag01 C7 104.8(2) . . ?
C02B Ag01 C4 120.7(3) . . ?
C5 Ag01 C025 122.0(4) . . ?
C5 Ag01 C029 92.4(3) . . ?
C5 Ag01 C7 31.8(7) . . ?
C7 Ag01 C025 120.7(2) . . ?
C4 Ag01 C025 116.5(4) . . ?
N1 C02 B028 176.0(2) . . ?
C02 N1 B02A 176.3(2) . . ?
C013 C011 B028 121.1(2) . . ?
C01S C011 C013 113.4(2) . . ?
C01S C011 B028 125.4(2) . . ?
C014 C012 C015 113.7(2) . . ?
C014 C012 B028 119.76(19) . . ?
C015 C012 B028 126.3(2) . . ?
F005 C013 C011 119.2(2) . . ?
F005 C013 C01T 116.3(2) . . ?
C01T C013 C011 124.5(2) . . ?
F002 C014 C012 119.28(19) . . ?
F002 C014 C017 116.1(2) . . ?
C017 C014 C012 124.6(2) . . ?
F003 C015 C012 121.0(2) . . ?
F003 C015 C016 115.61(19) . . ?
C016 C015 C012 123.4(2) . . ?
F009 C016 C015 120.4(2) . . ?
F009 C016 C01F 119.5(2) . . ?
C01F C016 C015 120.1(2) . . ?
F008 C017 C014 120.6(2) . . ?
F008 C017 C01F 120.1(2) . . ?
C014 C017 C01F 119.3(2) . . ?
F006 C018 C019 120.7(2) . . ?
F006 C018 C01P 115.7(2) . . ?
C01P C018 C019 123.6(2) . . ?
C018 C019 C01G 113.6(2) . . ?
C018 C019 B02A 125.9(2) . . ?
C01G C019 B02A 120.5(2) . . ?
C01D C01A B02A 123.0(2) . . ?
C01Q C01A C01D 113.5(2) . . ?
C01Q C01A B02A 123.5(2) . . ?
C01C C01B B02A 124.2(2) . . ?
C01I C01B C01C 113.8(2) . . ?
C01I C01B B02A 122.0(2) . . ?
F004 C01C C01B 119.9(2) . . ?
F004 C01C C01K 116.2(2) . . ?
C01K C01C C01B 123.9(2) . . ?
F00C C01D C01A 119.7(2) . . ?
F00C C01D C01V 116.0(2) . . ?
C01V C01D C01A 124.2(2) . . ?
C01J C01E C01Z 112.9(5) . . ?
C01J C01E B028 121.9(2) . . ?
C01J C01E C0 114.6(5) . . ?
C01Z C01E B028 124.9(5) . . ?
C0 C01E B028 122.7(5) . . ?
F00E C01F C016 120.4(2) . . ?
F00E C01F C017 120.8(2) . . ?
C016 C01F C017 118.8(2) . . ?
F00A C01G C019 119.5(2) . . ?
F00A C01G C01L 116.0(2) . . ?
C01L C01G C019 124.5(2) . . ?
F00K C01H C01J 121.3(2) . . ?
F00K C01H C01W 119.6(2) . . ?
C01W C01H C01J 119.1(2) . . ?
F007 C01I C01B 120.3(2) . . ?
F007 C01I C01U 115.9(2) . . ?
C01U C01I C01B 123.8(2) . . ?
F00O C01J C01E 119.7(2) . . ?
F00O C01J C01H 116.0(2) . . ?
C01H C01J C01E 124.2(2) . . ?
F00B C01K C01C 121.5(2) . . ?
F00B C01K C01N 119.1(2) . . ?
C01N C01K C01C 119.4(2) . . ?
F00D C01L C01G 121.1(2) . . ?
F00D C01L C01M 119.8(2) . . ?
C01M C01L C01G 119.2(2) . . ?
F00Q C01M C01L 120.1(2) . . ?
F00Q C01M C01P 120.8(2) . . ?
C01P C01M C01L 119.1(2) . . ?
F00M C01N C01K 120.2(2) . . ?
F00M C01N C01U 120.7(2) . . ?
C01U C01N C01K 119.1(2) . . ?
F00I C01O C01V 120.7(2) . . ?
F00I C01O C01X 120.5(2) . . ?
C01X C01O C01V 118.7(2) . . ?
F00J C01P C018 120.2(2) . . ?
F00J C01P C01M 119.8(2) . . ?
C01M C01P C018 120.0(2) . . ?
F00F C01Q C01A 120.8(2) . . ?
F00F C01Q C01X 115.2(2) . . ?
C01X C01Q C01A 124.0(2) . . ?
F00L C01R C01T 120.5(2) . . ?
F00L C01R C01Y 120.6(2) . . ?
C01Y C01R C01T 118.9(2) . . ?
F00G C01S C011 120.9(2) . . ?
F00G C01S C01Y 115.1(2) . . ?
C01Y C01S C011 124.0(2) . . ?
F00H C01T C013 120.7(2) . . ?
F00H C01T C01R 119.8(2) . . ?
C013 C01T C01R 119.5(2) . . ?
F00N C01U C01I 120.2(2) . . ?
F00N C01U C01N 119.8(2) . . ?
C01N C01U C01I 120.0(2) . . ?
F00R C01V C01D 120.6(2) . . ?
F00R C01V C01O 119.8(2) . . ?
C01O C01V C01D 119.7(2) . . ?
F00S C01W C01H 120.3(2) . . ?
F00S C01W C1 120.2(4) . . ?
C01H C01W C1 119.0(4) . . ?
C02C C01W F00S 120.3(4) . . ?
C02C C01W C01H 118.3(4) . . ?
F00P C01X C01O 119.5(2) . . ?
F00P C01X C01Q 120.7(2) . . ?
C01O C01X C01Q 119.8(2) . . ?
F00T C01Y C01R 119.8(2) . . ?
F00T C01Y C01S 120.5(2) . . ?
C01R C01Y C01S 119.7(2) . . ?
F00V C01Z C01E 118.7(9) . . ?
F00V C01Z C02C 119.0(7) . . ?
C02C C01Z C01E 122.3(7) . . ?
F00X C021 C023 118.5(3) . . ?
F00X C021 C026 119.8(3) . . ?
C026 C021 C023 121.7(3) . . ?
F00U C022 C02D 118.9(3) . . ?
F00U C022 C02G 120.3(3) . . ?
C02G C022 C02D 120.8(3) . . ?
F00W C023 C021 119.3(3) . . ?
F00W C023 C027 120.1(3) . . ?
C027 C023 C021 120.6(3) . . ?
Ag01 C024 H024 86.3 . . ?
C029 C024 Ag01 81.22(18) . . ?
C029 C024 H024 120.1 . . ?
C029 C024 C02E 119.9(3) . . ?
C02E C024 Ag01 102.57(19) . . ?
C02E C024 H024 120.1 . . ?
Ag01 C025 H025 100.1 . . ?
C026 C025 Ag01 105.36(18) . . ?
C026 C025 H025 119.9 . . ?
C026 C025 C02B 120.2(3) . . ?
C02B C025 Ag01 63.92(15) . . ?
C02B C025 H025 119.9 . . ?
C021 C026 C025 118.4(3) . . ?
C021 C026 H026 120.8 . . ?
C025 C026 H026 120.8 . . ?
C023 C027 H027 120.7 . . ?
C023 C027 C02B 118.7(3) . . ?
C02B C027 H027 120.7 . . ?
C02 B028 C011 106.67(18) . . ?
C02 B028 C012 104.15(17) . . ?
C02 B028 C01E 107.36(18) . . ?
C011 B028 C012 114.90(18) . . ?
C011 B028 C01E 113.56(18) . . ?
C01E B028 C012 109.46(18) . . ?
N2 B028 C011 106.67(18) . . ?
N2 B028 C012 104.15(17) . . ?
N2 B028 C01E 107.36(18) . . ?
Ag01 C029 H029 93.7 . . ?
C024 C029 Ag01 66.80(15) . . ?
C024 C029 H029 120.5 . . ?
C024 C029 C02G 119.1(3) . . ?
C02G C029 Ag01 109.2(2) . . ?
C02G C029 H029 120.5 . . ?
N1 B02A C019 102.70(18) . . ?
N1 B02A C01A 107.66(18) . . ?
N1 B02A C01B 106.27(18) . . ?
C019 B02A C01A 114.86(19) . . ?
C019 B02A C01B 113.82(18) . . ?
C01A B02A C01B 110.65(19) . . ?
C01 B02A C019 102.70(18) . . ?
C01 B02A C01A 107.66(18) . . ?
C01 B02A C01B 106.27(18) . . ?
Ag01 C02B H02B 90.1 . . ?
C025 C02B Ag01 84.38(17) . . ?
C025 C02B H02B 119.8 . . ?
C027 C02B Ag01 95.51(18) . . ?
C027 C02B C025 120.4(3) . . ?
C027 C02B H02B 119.8 . . ?
C01W C02C C01Z 121.2(6) . . ?
F4 C02C C01W 117.2(7) . . ?
F4 C02C C01Z 121.3(6) . . ?
C022 C02D H02D 119.8 . . ?
C022 C02D C02E 120.5(3) . . ?
C02E C02D H02D 119.8 . . ?
F1 C02D C022 112.6(3) . . ?
F1 C02D C02E 126.0(4) . . ?
C024 C02E H02E 120.2 . . ?
C02D C02E C024 119.6(3) . . ?
C02D C02E H02E 120.2 . . ?
C022 C02G C029 120.2(3) . . ?
C022 C02G H02G 119.9 . . ?
C029 C02G H02G 119.9 . . ?
F2 C02G C022 112.8(3) . . ?
F2 C02G C029 124.1(3) . . ?
Ag01 C5 H5 90.5 . . ?
C7 C5 Ag01 76.3(9) . . ?
C7 C5 H5 120.4 . . ?
C8 C5 Ag01 103.2(11) . . ?
C8 C5 H5 120.4 . . ?
C8 C5 C7 119.3(11) . . ?
Ag01 C7 H7 96.2 . . ?
C5 C7 Ag01 72.0(8) . . ?
C5 C7 H7 120.4 . . ?
C6 C7 Ag01 101.6(5) . . ?
C6 C7 C5 119.1(9) . . ?
C6 C7 H7 120.4 . . ?
C6 C9 H9 120.6 . . ?
C3 C9 H9 120.6 . . ?
C3 C9 C6 118.8(10) . . ?
C7 C6 C9 119.6(8) . . ?
C7 C6 H6 120.2 . . ?
C9 C6 H6 120.2 . . ?
C9 C3 C8 121.7(9) . . ?
F8 C3 C9 119.0(9) . . ?
F8 C3 C8 119.3(7) . . ?
C5 C8 C3 121.3(11) . . ?
C5 C8 F7 119.9(11) . . ?
F7 C8 C3 118.7(6) . . ?
Ag01 C4 H4 92.5 . . ?
C7A C4 Ag01 94.5(12) . . ?
C7A C4 H4 120.5 . . ?
C7A C4 C8A 119.0(13) . . ?
C8A C4 Ag01 83.0(8) . . ?
C8A C4 H4 120.5 . . ?
F5 C7A C6A 118.0(7) . . ?
C4 C7A F5 120.0(9) . . ?
C4 C7A C6A 122.0(9) . . ?
F6 C6A C7A 118.3(7) . . ?
C2A C6A F6 120.1(7) . . ?
C2A C6A C7A 121.5(8) . . ?
C6A C2A H2A 120.4 . . ?
C6A C2A C3A 119.3(8) . . ?
C3A C2A H2A 120.4 . . ?
C2A C3A H3A 119.9 . . ?
C8A C3A C2A 120.1(8) . . ?
C8A C3A H3A 119.9 . . ?
C4 C8A H8A 121.0 . . ?
C3A C8A C4 118.0(12) . . ?
C3A C8A H8A 121.0 . . ?
N2 C01 B02A 176.3(2) . . ?
C01 N2 B028 176.0(2) . . ?
C01E C0 F3 122.4(8) . . ?
C1 C0 C01E 123.7(7) . . ?
C1 C0 F3 113.8(6) . . ?
F9 C1 C01W 121.5(7) . . ?
C0 C1 C01W 118.4(6) . . ?
C0 C1 F9 119.7(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 C024 2.404(3) . ?
Ag01 C025 2.639(3) . ?
Ag01 C029 2.584(3) . ?
Ag01 C02B 2.382(3) . ?
Ag01 C5 2.580(18) . ?
Ag01 C7 2.635(8) . ?
Ag01 C4 2.609(18) . ?
F002 C014 1.358(2) . ?
F003 C015 1.346(3) . ?
F004 C01C 1.351(3) . ?
F005 C013 1.356(3) . ?
F006 C018 1.352(3) . ?
F007 C01I 1.352(3) . ?
F008 C017 1.349(3) . ?
F009 C016 1.348(3) . ?
F00A C01G 1.355(3) . ?
F00B C01K 1.340(3) . ?
F00C C01D 1.353(3) . ?
F00D C01L 1.344(3) . ?
F00E C01F 1.340(3) . ?
F00F C01Q 1.350(3) . ?
F00G C01S 1.353(3) . ?
F00H C01T 1.345(3) . ?
F00I C01O 1.341(3) . ?
F00J C01P 1.353(3) . ?
F00K C01H 1.339(3) . ?
F00L C01R 1.342(3) . ?
F00M C01N 1.347(3) . ?
F00N C01U 1.354(3) . ?
F00O C01J 1.347(3) . ?
F00P C01X 1.350(3) . ?
F00Q C01M 1.341(3) . ?
F00R C01V 1.347(3) . ?
F00S C01W 1.343(3) . ?
F00T C01Y 1.346(3) . ?
F00U C022 1.346(3) . ?
F00V C01Z 1.249(12) . ?
F00W C023 1.341(4) . ?
F00X C021 1.351(3) . ?
C02 N1 1.143(3) . ?
C02 B028 1.589(3) . ?
N1 B02A 1.600(3) . ?
C011 C013 1.390(3) . ?
C011 C01S 1.384(3) . ?
C011 B028 1.632(3) . ?
C012 C014 1.389(3) . ?
C012 C015 1.391(3) . ?
C012 B028 1.645(3) . ?
C013 C01T 1.374(3) . ?
C014 C017 1.372(3) . ?
C015 C016 1.382(3) . ?
C016 C01F 1.374(3) . ?
C017 C01F 1.378(3) . ?
C018 C019 1.384(3) . ?
C018 C01P 1.383(3) . ?
C019 C01G 1.387(3) . ?
C019 B02A 1.639(3) . ?
C01A C01D 1.389(3) . ?
C01A C01Q 1.385(3) . ?
C01A B02A 1.640(3) . ?
C01B C01C 1.392(3) . ?
C01B C01I 1.388(3) . ?
C01B B02A 1.643(3) . ?
C01C C01K 1.380(3) . ?
C01D C01V 1.378(4) . ?
C01E C01J 1.388(3) . ?
C01E C01Z 1.393(9) . ?
C01E B028 1.643(3) . ?
C01E C0 1.392(10) . ?
C01G C01L 1.377(3) . ?
C01H C01J 1.381(3) . ?
C01H C01W 1.367(4) . ?
C01I C01U 1.376(4) . ?
C01K C01N 1.376(4) . ?
C01L C01M 1.373(4) . ?
C01M C01P 1.367(4) . ?
C01N C01U 1.369(4) . ?
C01O C01V 1.375(4) . ?
C01O C01X 1.371(4) . ?
C01Q C01X 1.384(4) . ?
C01R C01T 1.375(4) . ?
C01R C01Y 1.372(4) . ?
C01S C01Y 1.384(4) . ?
C01W C02C 1.337(9) . ?
C01W C1 1.427(9) . ?
C01Z C02C 1.388(7) . ?
C021 C023 1.386(4) . ?
C021 C026 1.359(4) . ?
C022 C02D 1.364(5) . ?
C022 C02G 1.358(5) . ?
C023 C027 1.367(4) . ?
C024 H024 0.9500 . ?
C024 C029 1.385(5) . ?
C024 C02E 1.391(5) . ?
C025 H025 0.9500 . ?
C025 C026 1.393(4) . ?
C025 C02B 1.393(4) . ?
C026 H026 0.9500 . ?
C027 H027 0.9500 . ?
C027 C02B 1.390(4) . ?
B028 N2 1.589(3) . ?
C029 H029 0.9500 . ?
C029 C02G 1.394(4) . ?
B02A C01 1.600(3) . ?
C02B H02B 0.9500 . ?
C02C F4 1.299(9) . ?
C02D H02D 0.9500 . ?
C02D C02E 1.371(4) . ?
C02D F1 1.248(5) . ?
C02E H02E 0.9500 . ?
C02G H02G 0.9500 . ?
C02G F2 1.230(4) . ?
C5 H5 0.9500 . ?
C5 C7 1.43(3) . ?
C5 C8 1.33(2) . ?
C7 H7 0.9500 . ?
C7 C6 1.381(14) . ?
C9 H9 0.9500 . ?
C9 C6 1.414(18) . ?
C9 C3 1.344(11) . ?
F6 C6A 1.357(9) . ?
F5 C7A 1.349(8) . ?
C6 H6 0.9500 . ?
C3 C8 1.381(10) . ?
C3 F8 1.342(8) . ?
C8 F7 1.341(7) . ?
C4 H4 0.9500 . ?
C4 C7A 1.31(3) . ?
C4 C8A 1.45(2) . ?
C7A C6A 1.375(13) . ?
C6A C2A 1.334(17) . ?
C2A H2A 0.9500 . ?
C2A C3A 1.396(13) . ?
C3A H3A 0.9500 . ?
C3A C8A 1.383(12) . ?
C8A H8A 0.9500 . ?
C01 N2 1.143(3) . ?
F9 C1 1.412(9) . ?
F3 C0 1.455(13) . ?
C0 C1 1.372(7) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag01 C024 C029 C02G 99.9(3) . . . . ?
Ag01 C024 C02E C02D -88.1(3) . . . . ?
Ag01 C025 C026 C021 70.0(3) . . . . ?
Ag01 C025 C02B C027 -93.1(2) . . . . ?
Ag01 C029 C02G C022 73.9(4) . . . . ?
Ag01 C029 C02G F2 -127.1(4) . . . . ?
Ag01 C5 C7 C6 -93.4(8) . . . . ?
Ag01 C5 C8 C3 77.7(13) . . . . ?
Ag01 C5 C8 F7 -103.4(9) . . . . ?
Ag01 C7 C6 C9 -79.1(8) . . . . ?
Ag01 C4 C7A F5 95.6(8) . . . . ?
Ag01 C4 C7A C6A -86.8(9) . . . . ?
Ag01 C4 C8A C3A 93.1(8) . . . . ?
F002 C014 C017 F008 -0.4(3) . . . . ?
F002 C014 C017 C01F 179.65(19) . . . . ?
F003 C015 C016 F009 0.1(3) . . . . ?
F003 C015 C016 C01F 179.4(2) . . . . ?
F004 C01C C01K F00B 3.9(3) . . . . ?
F004 C01C C01K C01N -177.1(2) . . . . ?
F005 C013 C01T F00H 0.9(3) . . . . ?
F005 C013 C01T C01R -178.7(2) . . . . ?
F006 C018 C019 C01G -177.05(19) . . . . ?
F006 C018 C019 B02A 0.9(3) . . . . ?
F006 C018 C01P F00J -1.3(3) . . . . ?
F006 C018 C01P C01M 178.5(2) . . . . ?
F007 C01I C01U F00N -0.6(3) . . . . ?
F007 C01I C01U C01N 179.0(2) . . . . ?
F008 C017 C01F F00E 2.2(3) . . . . ?
F008 C017 C01F C016 -179.5(2) . . . . ?
F009 C016 C01F F00E -2.0(3) . . . . ?
F009 C016 C01F C017 179.6(2) . . . . ?
F00A C01G C01L F00D 1.0(3) . . . . ?
F00A C01G C01L C01M -177.5(2) . . . . ?
F00B C01K C01N F00M -1.8(4) . . . . ?
F00B C01K C01N C01U 178.2(2) . . . . ?
F00C C01D C01V F00R -3.0(3) . . . . ?
F00C C01D C01V C01O 176.7(2) . . . . ?
F00D C01L C01M F00Q 0.1(3) . . . . ?
F00D C01L C01M C01P -178.9(2) . . . . ?
F00F C01Q C01X F00P 0.9(3) . . . . ?
F00F C01Q C01X C01O -178.9(2) . . . . ?
F00G C01S C01Y F00T -0.8(4) . . . . ?
F00G C01S C01Y C01R 178.9(2) . . . . ?
F00I C01O C01V F00R -0.2(4) . . . . ?
F00I C01O C01V C01D -179.9(2) . . . . ?
F00I C01O C01X F00P 1.0(4) . . . . ?
F00I C01O C01X C01Q -179.3(2) . . . . ?
F00K C01H C01J F00O -2.0(3) . . . . ?
F00K C01H C01J C01E 178.9(2) . . . . ?
F00K C01H C01W F00S 1.0(4) . . . . ?
F00K C01H C01W C02C 168.9(4) . . . . ?
F00K C01H C01W C1 -170.6(4) . . . . ?
F00L C01R C01T F00H 1.6(4) . . . . ?
F00L C01R C01T C013 -178.8(2) . . . . ?
F00L C01R C01Y F00T -0.8(4) . . . . ?
F00L C01R C01Y C01S 179.5(2) . . . . ?
F00M C01N C01U F00N -0.5(4) . . . . ?
F00M C01N C01U C01I 179.9(2) . . . . ?
F00Q C01M C01P F00J 0.7(4) . . . . ?
F00Q C01M C01P C018 -179.1(2) . . . . ?
F00S C01W C02C C01Z -178.1(4) . . . . ?
F00S C01W C02C F4 -3.9(8) . . . . ?
F00S C01W C1 F9 4.3(8) . . . . ?
F00S C01W C1 C0 177.7(4) . . . . ?
F00U C022 C02D C02E -179.7(3) . . . . ?
F00U C022 C02D F1 -10.2(5) . . . . ?
F00U C022 C02G C029 178.9(3) . . . . ?
F00U C022 C02G F2 17.7(5) . . . . ?
F00V C01Z C02C C01W 175.1(9) . . . . ?
F00V C01Z C02C F4 1.2(8) . . . . ?
F00W C023 C027 C02B -179.3(3) . . . . ?
F00X C021 C023 F00W -0.2(4) . . . . ?
F00X C021 C023 C027 179.5(3) . . . . ?
F00X C021 C026 C025 179.2(2) . . . . ?
C011 C013 C01T F00H 178.4(2) . . . . ?
C011 C013 C01T C01R -1.2(4) . . . . ?
C011 C01S C01Y F00T 180.0(2) . . . . ?
C011 C01S C01Y C01R -0.3(4) . . . . ?
C012 C014 C017 F008 177.8(2) . . . . ?
C012 C014 C017 C01F -2.2(3) . . . . ?
C012 C015 C016 F009 -178.89(19) . . . . ?
C012 C015 C016 C01F 0.4(3) . . . . ?
C013 C011 C01S F00G -178.9(2) . . . . ?
C013 C011 C01S C01Y 0.2(4) . . . . ?
C013 C011 B028 C02 -43.7(3) . . . . ?
C013 C011 B028 C012 71.1(3) . . . . ?
C013 C011 B028 C01E -161.8(2) . . . . ?
C013 C011 B028 N2 -43.7(3) . . . . ?
C014 C012 C015 F003 179.24(18) . . . . ?
C014 C012 C015 C016 -1.8(3) . . . . ?
C014 C012 B028 C02 -65.1(2) . . . . ?
C014 C012 B028 C011 178.58(19) . . . . ?
C014 C012 B028 C01E 49.4(3) . . . . ?
C014 C012 B028 N2 -65.1(2) . . . . ?
C014 C017 C01F F00E -177.9(2) . . . . ?
C014 C017 C01F C016 0.5(3) . . . . ?
C015 C012 C014 F002 -179.14(18) . . . . ?
C015 C012 C014 C017 2.7(3) . . . . ?
C015 C012 B028 C02 120.9(2) . . . . ?
C015 C012 B028 C011 4.6(3) . . . . ?
C015 C012 B028 C01E -124.5(2) . . . . ?
C015 C012 B028 N2 120.9(2) . . . . ?
C015 C016 C01F F00E 178.7(2) . . . . ?
C015 C016 C01F C017 0.3(3) . . . . ?
C018 C019 C01G F00A 176.61(19) . . . . ?
C018 C019 C01G C01L -2.9(3) . . . . ?
C018 C019 B02A N1 -107.6(2) . . . . ?
C018 C019 B02A C01A 9.0(3) . . . . ?
C018 C019 B02A C01B 138.0(2) . . . . ?
C018 C019 B02A C01 -107.6(2) . . . . ?
C019 C018 C01P F00J 179.2(2) . . . . ?
C019 C018 C01P C01M -1.0(4) . . . . ?
C019 C01G C01L F00D -179.4(2) . . . . ?
C019 C01G C01L C01M 2.0(4) . . . . ?
C01A C01D C01V F00R 178.7(2) . . . . ?
C01A C01D C01V C01O -1.6(4) . . . . ?
C01A C01Q C01X F00P 179.7(2) . . . . ?
C01A C01Q C01X C01O -0.1(4) . . . . ?
C01B C01C C01K F00B -178.0(2) . . . . ?
C01B C01C C01K C01N 1.0(4) . . . . ?
C01B C01I C01U F00N -178.7(2) . . . . ?
C01B C01I C01U C01N 0.9(4) . . . . ?
C01C C01B C01I F007 -178.6(2) . . . . ?
C01C C01B C01I C01U -0.6(3) . . . . ?
C01C C01B B02A N1 -143.4(2) . . . . ?
C01C C01B B02A C019 -31.1(3) . . . . ?
C01C C01B B02A C01A 100.0(3) . . . . ?
C01C C01B B02A C01 -143.4(2) . . . . ?
C01C C01K C01N F00M 179.2(2) . . . . ?
C01C C01K C01N C01U -0.8(4) . . . . ?
C01D C01A C01Q F00F 177.1(2) . . . . ?
C01D C01A C01Q C01X -1.6(3) . . . . ?
C01D C01A B02A N1 32.2(3) . . . . ?
C01D C01A B02A C019 -81.5(3) . . . . ?
C01D C01A B02A C01B 148.0(2) . . . . ?
C01D C01A B02A C01 32.2(3) . . . . ?
C01E C01Z C02C C01W -4.0(8) . . . . ?
C01E C01Z C02C F4 -177.9(8) . . . . ?
C01E C0 C1 C01W 4.8(7) . . . . ?
C01E C0 C1 F9 178.3(8) . . . . ?
C01G C019 B02A N1 70.2(2) . . . . ?
C01G C019 B02A C01A -173.2(2) . . . . ?
C01G C019 B02A C01B -44.2(3) . . . . ?
C01G C019 B02A C01 70.2(2) . . . . ?
C01G C01L C01M F00Q 178.6(2) . . . . ?
C01G C01L C01M C01P -0.3(4) . . . . ?
C01H C01W C02C C01Z 14.1(6) . . . . ?
C01H C01W C02C F4 -171.8(4) . . . . ?
C01H C01W C1 F9 175.9(4) . . . . ?
C01H C01W C1 C0 -10.8(5) . . . . ?
C01I C01B C01C F004 177.7(2) . . . . ?
C01I C01B C01C C01K -0.3(3) . . . . ?
C01I C01B B02A N1 38.6(3) . . . . ?
C01I C01B B02A C019 150.9(2) . . . . ?
C01I C01B B02A C01A -78.0(3) . . . . ?
C01I C01B B02A C01 38.6(3) . . . . ?
C01J C01E C01Z F00V 173.3(7) . . . . ?
C01J C01E C01Z C02C -7.6(8) . . . . ?
C01J C01E B028 C02 148.5(2) . . . . ?
C01J C01E B028 C011 -93.9(3) . . . . ?
C01J C01E B028 C012 36.0(3) . . . . ?
C01J C01E B028 N2 148.5(2) . . . . ?
C01J C01E C0 F3 179.0(6) . . . . ?
C01J C01E C0 C1 3.2(8) . . . . ?
C01J C01H C01W F00S -179.9(2) . . . . ?
C01J C01H C01W C02C -12.0(5) . . . . ?
C01J C01H C01W C1 8.6(5) . . . . ?
C01K C01N C01U F00N 179.4(2) . . . . ?
C01K C01N C01U C01I -0.1(4) . . . . ?
C01L C01M C01P F00J 179.6(2) . . . . ?
C01L C01M C01P C018 -0.2(4) . . . . ?
C01P C018 C019 C01G 2.4(3) . . . . ?
C01P C018 C019 B02A -179.7(2) . . . . ?
C01Q C01A C01D F00C -175.8(2) . . . . ?
C01Q C01A C01D C01V 2.5(3) . . . . ?
C01Q C01A B02A N1 -147.7(2) . . . . ?
C01Q C01A B02A C019 98.6(3) . . . . ?
C01Q C01A B02A C01B -32.0(3) . . . . ?
C01Q C01A B02A C01 -147.7(2) . . . . ?
C01S C011 C013 F005 177.9(2) . . . . ?
C01S C011 C013 C01T 0.5(3) . . . . ?
C01S C011 B028 C02 138.0(2) . . . . ?
C01S C011 B028 C012 -107.2(3) . . . . ?
C01S C011 B028 C01E 19.9(3) . . . . ?
C01S C011 B028 N2 138.0(2) . . . . ?
C01T C01R C01Y F00T 179.3(2) . . . . ?
C01T C01R C01Y C01S -0.4(4) . . . . ?
C01V C01O C01X F00P -178.6(2) . . . . ?
C01V C01O C01X C01Q 1.1(4) . . . . ?
C01W C01H C01J F00O 178.8(2) . . . . ?
C01W C01H C01J C01E -0.2(4) . . . . ?
C01X C01O C01V F00R 179.4(2) . . . . ?
C01X C01O C01V C01D -0.3(4) . . . . ?
C01Y C01R C01T F00H -178.5(2) . . . . ?
C01Y C01R C01T C013 1.1(4) . . . . ?
C01Z C01E C01J F00O -169.4(5) . . . . ?
C01Z C01E C01J C01H 9.6(6) . . . . ?
C01Z C01E B028 C011 79.6(6) . . . . ?
C01Z C01E B028 C012 -150.5(5) . . . . ?
C01Z C01E B028 N2 -38.0(6) . . . . ?
C021 C023 C027 C02B 0.9(4) . . . . ?
C022 C02D C02E C024 1.2(5) . . . . ?
C023 C021 C026 C025 -2.1(4) . . . . ?
C023 C027 C02B Ag01 -88.1(3) . . . . ?
C023 C027 C02B C025 -1.4(4) . . . . ?
C024 C029 C02G C022 0.4(5) . . . . ?
C024 C029 C02G F2 159.4(4) . . . . ?
C026 C021 C023 F00W -178.9(3) . . . . ?
C026 C021 C023 C027 0.9(4) . . . . ?
C026 C025 C02B Ag01 93.3(2) . . . . ?
C026 C025 C02B C027 0.1(4) . . . . ?
B028 C011 C013 F005 -0.6(3) . . . . ?
B028 C011 C013 C01T -178.0(2) . . . . ?
B028 C011 C01S F00G -0.4(4) . . . . ?
B028 C011 C01S C01Y 178.7(2) . . . . ?
B028 C012 C014 F002 6.2(3) . . . . ?
B028 C012 C014 C017 -172.0(2) . . . . ?
B028 C012 C015 F003 -6.5(3) . . . . ?
B028 C012 C015 C016 172.4(2) . . . . ?
B028 C01E C01J F00O 4.9(3) . . . . ?
B028 C01E C01J C01H -176.1(2) . . . . ?
B028 C01E C01Z F00V -0.7(11) . . . . ?
B028 C01E C01Z C02C 178.4(4) . . . . ?
B028 C01E C0 F3 -10.6(10) . . . . ?
B028 C01E C0 C1 173.6(4) . . . . ?
C029 C024 C02E C02D -1.1(5) . . . . ?
B02A C019 C01G F00A -1.4(3) . . . . ?
B02A C019 C01G C01L 179.0(2) . . . . ?
B02A C01A C01D F00C 4.3(3) . . . . ?
B02A C01A C01D C01V -177.5(2) . . . . ?
B02A C01A C01Q F00F -2.9(3) . . . . ?
B02A C01A C01Q C01X 178.4(2) . . . . ?
B02A C01B C01C F004 -0.4(3) . . . . ?
B02A C01B C01C C01K -178.4(2) . . . . ?
B02A C01B C01I F007 -0.5(3) . . . . ?
B02A C01B C01I C01U 177.5(2) . . . . ?
C02B C025 C026 C021 1.6(4) . . . . ?
C02D C022 C02G C029 -0.3(5) . . . . ?
C02D C022 C02G F2 -161.6(3) . . . . ?
C02E C024 C029 Ag01 -99.5(3) . . . . ?
C02E C024 C029 C02G 0.3(4) . . . . ?
F1 C02D C02E C024 -166.8(4) . . . . ?
C02G C022 C02D C02E -0.5(5) . . . . ?
C02G C022 C02D F1 169.0(3) . . . . ?
C5 C7 C6 C9 -3.4(17) . . . . ?
C7 C5 C8 C3 -4(2) . . . . ?
C7 C5 C8 F7 175.1(10) . . . . ?
C9 C3 C8 C5 2.6(17) . . . . ?
C9 C3 C8 F7 -176.3(8) . . . . ?
F6 C6A C2A C3A 179.4(7) . . . . ?
F5 C7A C6A F6 -1.8(10) . . . . ?
F5 C7A C6A C2A -179.2(7) . . . . ?
C6 C9 C3 C8 -1.7(14) . . . . ?
C6 C9 C3 F8 -179.4(7) . . . . ?
C3 C9 C6 C7 2.2(14) . . . . ?
C8 C5 C7 Ag01 97.7(15) . . . . ?
C8 C5 C7 C6 4(2) . . . . ?
F8 C3 C8 C5 -179.7(11) . . . . ?
F8 C3 C8 F7 1.5(10) . . . . ?
C4 C7A C6A F6 -179.4(11) . . . . ?
C4 C7A C6A C2A 3.1(17) . . . . ?
C7A C4 C8A C3A 1.8(19) . . . . ?
C7A C6A C2A C3A -3.2(14) . . . . ?
C6A C2A C3A C8A 2.7(13) . . . . ?
C2A C3A C8A C4 -2.0(16) . . . . ?
C8A C4 C7A F5 -179.9(10) . . . . ?
C8A C4 C7A C6A -2.4(19) . . . . ?
F3 C0 C1 C01W -171.4(7) . . . . ?
F3 C0 C1 F9 2.1(7) . . . . ?
C0 C01E C01J F00O 175.3(5) . . . . ?
C0 C01E C01J C01H -5.7(6) . . . . ?
C0 C01E B028 C02 -21.2(5) . . . . ?
C0 C01E B028 C011 96.5(5) . . . . ?
C0 C01E B028 C012 -133.7(5) . . . . ?
