#------------------------------------------------------------------------------
#$Date: 2017-07-11 14:26:40 +0300 (Tue, 11 Jul 2017) $
#$Revision: 198632 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/28/4312823.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_4312823
loop_
_publ_author_name
'Nate Schultheiss'
'Douglas R. Powell'
'Eric Bosch'
_publ_contact_author
; 
   Prof. Eric Bosch 
   Department of Chemistry 
   Southwest Missouri State University 
   901 South National Avenue 
   Springfield, MO  65804  USA 
;
_publ_contact_author_email       erb625f@smsu.edu
_publ_contact_author_fax         1(417)8365507
_publ_contact_author_phone       1(417)8364277
_publ_section_title
;
 Anion Control of the Self-Assembly of 2,3-Diarylpyrazines with Silver(I)
 Salts
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8886
_journal_page_last               8890
_journal_paper_doi               10.1021/ic034994g
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'Ag 1+, (C2 F3 O2) 1-, (C20 H20 N2), (H2 O)'
_chemical_formula_sum            'C22 H22 Ag F3 N2 O3'
_chemical_formula_weight         527.29
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.083(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   11.2008(6)
_cell_length_b                   19.9816(11)
_cell_length_c                   15.4750(9)
_cell_measurement_reflns_used    5649
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.80
_cell_measurement_theta_min      2.45
_cell_volume                     3344.1(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device       'Bruker APEX'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'ω scan frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0235
_diffrn_reflns_av_sigmaI/netI    0.0484
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            27882
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         30.04
_diffrn_reflns_theta_min         1.88
_diffrn_standards_decay_%        0.04
_diffrn_standards_number         334
_exptl_absorpt_coefficient_mu    0.954
_exptl_absorpt_correction_T_max  0.9023
_exptl_absorpt_correction_T_min  0.7760
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1596
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.401
_refine_diff_density_min         -0.492
_refine_diff_density_rms         0.115
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.011(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     845
_refine_ls_number_reflns         17300
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0600P)²+0.8000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1033
_refine_ls_wR_factor_ref         0.1062
_reflns_number_gt                15806
_reflns_number_total             17300
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034994gsi20030821_093238_1.cif
_cod_data_source_block           compound_9.(H2O)_
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi-scan'' was replaced
with the value 'multi-scan' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_database_code               4312823
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.55888(3) 0.239451(14) 0.28783(2) 0.02668(7) Uani 1 1 d . . .
Ag2 Ag 0.12400(2) 0.127118(14) 0.53576(2) 0.02408(7) Uani 1 1 d . . .
Ag3 Ag 0.54055(3) -0.015780(15) 0.93785(2) 0.02822(7) Uani 1 1 d . . .
N1A N 0.5709(3) 0.17715(18) 0.1594(2) 0.0260(7) Uani 1 1 d . . .
N2A N 0.5572(3) 0.06880(18) 0.0474(2) 0.0266(7) Uani 1 1 d . . .
C1A C 0.4599(4) 0.1558(2) 0.1089(3) 0.0248(8) Uani 1 1 d . . .
C2A C 0.4522(4) 0.1023(2) 0.0487(3) 0.0251(8) Uani 1 1 d . . .
C3A C 0.6645(4) 0.0897(2) 0.0984(3) 0.0277(8) Uani 1 1 d . . .
H3A H 0.7378 0.0660 0.0977 0.033 Uiso 1 1 calc R . .
C4A C 0.6723(4) 0.1455(2) 0.1530(3) 0.0278(9) Uani 1 1 d . . .
H4A H 0.7510 0.1611 0.1860 0.033 Uiso 1 1 calc R . .
C5A C 0.3503(4) 0.1915(2) 0.1248(3) 0.0283(9) Uani 1 1 d . . .
C6A C 0.3531(5) 0.2616(2) 0.1310(3) 0.0329(10) Uani 1 1 d . . .
H6A H 0.4215 0.2857 0.1210 0.040 Uiso 1 1 calc R . .
C7A C 0.2556(6) 0.2962(3) 0.1518(3) 0.0436(12) Uani 1 1 d . . .
C8A C 0.1595(5) 0.2589(3) 0.1681(3) 0.0488(15) Uani 1 1 d . . .
H8A H 0.0933 0.2818 0.1829 0.059 Uiso 1 1 calc R . .
C9A C 0.1556(4) 0.1898(3) 0.1636(3) 0.0434(13) Uani 1 1 d . . .
C10A C 0.2525(4) 0.1554(3) 0.1410(3) 0.0327(10) Uani 1 1 d . . .
H10A H 0.2511 0.1080 0.1367 0.039 Uiso 1 1 calc R . .
C11A C 0.2577(7) 0.3711(3) 0.1585(4) 0.0607(18) Uani 1 1 d . . .
H11A H 0.2253 0.3849 0.2088 0.091 Uiso 1 1 calc R . .
H11B H 0.2064 0.3902 0.1029 0.091 Uiso 1 1 calc R . .
H11C H 0.3429 0.3871 0.1683 0.091 Uiso 1 1 calc R . .
C12A C 0.0527(5) 0.1506(4) 0.1859(4) 0.0535(16) Uani 1 1 d . . .
H12A H 0.0492 0.1612 0.2470 0.080 Uiso 1 1 calc R . .
H12B H 0.0679 0.1026 0.1812 0.080 Uiso 1 1 calc R . .
H12C H -0.0261 0.1626 0.1438 0.080 Uiso 1 1 calc R . .
C13A C 0.3372(4) 0.0802(2) -0.0149(3) 0.0274(8) Uani 1 1 d . . .
C14A C 0.2691(4) 0.1244(2) -0.0763(3) 0.0272(8) Uani 1 1 d . . .
H14A H 0.2934 0.1701 -0.0746 0.033 Uiso 1 1 calc R . .
C15A C 0.1655(4) 0.1033(2) -0.1403(3) 0.0288(9) Uani 1 1 d . . .
C16A C 0.1315(4) 0.0357(2) -0.1415(3) 0.0345(10) Uani 1 1 d . . .
H16A H 0.0624 0.0203 -0.1867 0.041 Uiso 1 1 calc R . .
C17A C 0.1958(5) -0.0089(3) -0.0786(3) 0.0381(10) Uani 1 1 d . . .
C18A C 0.3016(4) 0.0136(2) -0.0153(3) 0.0331(9) Uani 1 1 d . . .
H18A H 0.3490 -0.0166 0.0274 0.040 Uiso 1 1 calc R . .
C19A C 0.0886(5) 0.1513(3) -0.2091(3) 0.0351(10) Uani 1 1 d . . .
H19A H 0.1223 0.1966 -0.1975 0.053 Uiso 1 1 calc R . .
H19B H 0.0028 0.1509 -0.2047 0.053 Uiso 1 1 calc R . .
H19C H 0.0910 0.1373 -0.2693 0.053 Uiso 1 1 calc R . .
C20A C 0.1538(6) -0.0805(3) -0.0756(5) 0.0593(17) Uani 1 1 d . . .
H20A H 0.0690 -0.0851 -0.1130 0.089 Uiso 1 1 calc R . .
H20B H 0.1565 -0.0926 -0.0137 0.089 Uiso 1 1 calc R . .
H20C H 0.2086 -0.1102 -0.0980 0.089 Uiso 1 1 calc R . .
N1B N 0.2362(3) 0.15953(16) 0.4351(2) 0.0196(6) Uani 1 1 d . . .
N2B N 0.4229(3) 0.20397(15) 0.3619(2) 0.0201(6) Uani 1 1 d . . .
C1B C 0.3197(3) 0.11628(17) 0.4186(2) 0.0171(6) Uani 1 1 d . . .
C2B C 0.4132(3) 0.13807(17) 0.3795(2) 0.0171(6) Uani 1 1 d . . .
C3B C 0.3401(4) 0.24618(19) 0.3797(3) 0.0222(7) Uani 1 1 d . . .
H3B H 0.3464 0.2926 0.3682 0.027 Uiso 1 1 calc R . .
C4B C 0.2451(4) 0.22394(19) 0.4143(3) 0.0228(8) Uani 1 1 d . . .
H4B H 0.1852 0.2549 0.4235 0.027 Uiso 1 1 calc R . .
C5B C 0.3071(3) 0.04618(17) 0.4475(3) 0.0179(7) Uani 1 1 d . . .
C6B C 0.1912(4) 0.0158(2) 0.4191(3) 0.0249(8) Uani 1 1 d . . .
H6B H 0.1247 0.0391 0.3800 0.030 Uiso 1 1 calc R . .
C7B C 0.1727(4) -0.04835(19) 0.4479(3) 0.0269(9) Uani 1 1 d . . .
C8B C 0.2721(4) -0.08024(18) 0.5071(3) 0.0265(9) Uani 1 1 d . . .
H8B H 0.2596 -0.1235 0.5287 0.032 Uiso 1 1 calc R . .
C9B C 0.3880(4) -0.05132(19) 0.5355(3) 0.0241(8) Uani 1 1 d . . .
C10B C 0.4049(3) 0.01278(18) 0.5035(3) 0.0194(7) Uani 1 1 d . . .
H10B H 0.4841 0.0333 0.5206 0.023 Uiso 1 1 calc R . .
C11B C 0.0465(5) -0.0815(2) 0.4170(4) 0.0432(13) Uani 1 1 d . . .
H11D H 0.0064 -0.0674 0.3556 0.065 Uiso 1 1 calc R . .
H11E H -0.0048 -0.0682 0.4566 0.065 Uiso 1 1 calc R . .
H11F H 0.0565 -0.1302 0.4187 0.065 Uiso 1 1 calc R . .
C12B C 0.4908(4) -0.0868(2) 0.5998(3) 0.0325(10) Uani 1 1 d . . .
H12D H 0.4626 -0.1313 0.6125 0.049 Uiso 1 1 calc R . .
H12E H 0.5161 -0.0611 0.6554 0.049 Uiso 1 1 calc R . .
H12F H 0.5611 -0.0915 0.5736 0.049 Uiso 1 1 calc R . .
C13B C 0.5013(3) 0.09198(18) 0.3524(2) 0.0193(7) Uani 1 1 d . . .
C14B C 0.4550(4) 0.03620(19) 0.2998(3) 0.0217(7) Uani 1 1 d . . .
H14B H 0.3692 0.0262 0.2857 0.026 Uiso 1 1 calc R . .
C15B C 0.5357(4) -0.00516(19) 0.2678(3) 0.0252(8) Uani 1 1 d . . .
C16B C 0.6602(4) 0.0110(2) 0.2888(3) 0.0277(9) Uani 1 1 d . . .
H16B H 0.7147 -0.0163 0.2663 0.033 Uiso 1 1 calc R . .
C17B C 0.7078(4) 0.0657(2) 0.3414(3) 0.0266(8) Uani 1 1 d . . .
C18B C 0.6273(4) 0.1065(2) 0.3735(3) 0.0239(8) Uani 1 1 d . . .
H18B H 0.6586 0.1442 0.4098 0.029 Uiso 1 1 calc R . .
C19B C 0.4871(5) -0.0657(2) 0.2117(3) 0.0345(10) Uani 1 1 d . . .
H19D H 0.5266 -0.0690 0.1623 0.052 Uiso 1 1 calc R . .
H19E H 0.3974 -0.0616 0.1875 0.052 Uiso 1 1 calc R . .
H19F H 0.5055 -0.1061 0.2488 0.052 Uiso 1 1 calc R . .
C20B C 0.8439(4) 0.0819(3) 0.3627(3) 0.0346(10) Uani 1 1 d . . .
H20D H 0.8738 0.0751 0.3091 0.052 Uiso 1 1 calc R . .
H20E H 0.8895 0.0526 0.4107 0.052 Uiso 1 1 calc R . .
H20F H 0.8569 0.1287 0.3819 0.052 Uiso 1 1 calc R . .
N1C N 0.4406(3) 0.01881(16) 0.7992(2) 0.0231(6) Uani 1 1 d . . .
N2C N 0.2747(3) 0.08207(17) 0.6582(2) 0.0231(6) Uani 1 1 d . . .
C1C C 0.4621(3) 0.08211(18) 0.7750(3) 0.0205(7) Uani 1 1 d . . .
C2C C 0.3814(3) 0.11251(17) 0.7013(3) 0.0201(7) Uani 1 1 d . . .
C3C C 0.2537(4) 0.02016(19) 0.6835(3) 0.0249(8) Uani 1 1 d . . .
H3C H 0.1791 -0.0020 0.6543 0.030 Uiso 1 1 calc R . .
C4C C 0.3388(4) -0.0120(2) 0.7515(3) 0.0245(7) Uani 1 1 d . . .
H4C H 0.3247 -0.0573 0.7647 0.029 Uiso 1 1 calc R . .
C5C C 0.5704(4) 0.1165(2) 0.8338(3) 0.0238(7) Uani 1 1 d . . .
C6C C 0.6831(4) 0.0830(2) 0.8617(3) 0.0303(9) Uani 1 1 d . . .
H6C H 0.6918 0.0394 0.8398 0.036 Uiso 1 1 calc R . .
C7C C 0.7830(4) 0.1134(3) 0.9216(3) 0.0369(11) Uani 1 1 d . . .
C8C C 0.7670(5) 0.1773(3) 0.9527(3) 0.0411(12) Uani 1 1 d . . .
H8C H 0.8350 0.1984 0.9931 0.049 Uiso 1 1 calc R . .
C9C C 0.6559(5) 0.2111(2) 0.9270(3) 0.0373(11) Uani 1 1 d . . .
C10C C 0.5566(4) 0.1803(2) 0.8669(3) 0.0288(8) Uani 1 1 d . . .
H10C H 0.4794 0.2028 0.8485 0.035 Uiso 1 1 calc R . .
C11C C 0.9023(5) 0.0759(4) 0.9540(4) 0.0512(15) Uani 1 1 d . . .
H11G H 0.9712 0.1078 0.9694 0.077 Uiso 1 1 calc R . .
H11H H 0.9137 0.0459 0.9067 0.077 Uiso 1 1 calc R . .
H11I H 0.9001 0.0496 1.0070 0.077 Uiso 1 1 calc R . .
C12C C 0.6410(7) 0.2805(3) 0.9630(5) 0.0601(18) Uani 1 1 d . . .
H12G H 0.6805 0.2817 1.0275 0.090 Uiso 1 1 calc R . .
H12H H 0.5529 0.2909 0.9524 0.090 Uiso 1 1 calc R . .
H12I H 0.6801 0.3136 0.9325 0.090 Uiso 1 1 calc R . .
C13C C 0.4058(4) 0.17846(19) 0.6643(3) 0.0217(7) Uani 1 1 d . . .
C14C C 0.5163(4) 0.18876(19) 0.6420(3) 0.0234(8) Uani 1 1 d . . .
H14C H 0.5760 0.1540 0.6507 0.028 Uiso 1 1 calc R . .
C15C C 0.5403(4) 0.25042(18) 0.6064(3) 0.0260(8) Uani 1 1 d . . .
C16C C 0.4514(4) 0.3008(2) 0.5974(3) 0.0267(8) Uani 1 1 d . . .
H16C H 0.4679 0.3434 0.5757 0.032 Uiso 1 1 calc R . .
C17C C 0.3406(4) 0.29107(19) 0.6189(3) 0.0234(7) Uani 1 1 d . . .
C18C C 0.3185(3) 0.22924(19) 0.6528(3) 0.0221(7) Uani 1 1 d . . .
H18B H 0.2429 0.2217 0.6683 0.027 Uiso 1 1 calc R . .
C19C C 0.6581(5) 0.2615(3) 0.5784(5) 0.0501(15) Uani 1 1 d . . .
H19G H 0.6989 0.3023 0.6069 0.075 Uiso 1 1 calc R . .
H19H H 0.6386 0.2664 0.5132 0.075 Uiso 1 1 calc R . .
H19I H 0.7133 0.2232 0.5969 0.075 Uiso 1 1 calc R . .
C20C C 0.2442(4) 0.3449(2) 0.6060(3) 0.0320(9) Uani 1 1 d . . .
H20G H 0.2606 0.3789 0.5649 0.048 Uiso 1 1 calc R . .
H20H H 0.2467 0.3657 0.6639 0.048 Uiso 1 1 calc R . .
H20I H 0.1623 0.3253 0.5809 0.048 Uiso 1 1 calc R . .
F1A F 0.9009(3) 0.39688(16) 0.2962(3) 0.0613(11) Uani 1 1 d . . .
F2A F 0.9960(4) 0.3381(3) 0.4073(3) 0.0903(17) Uani 1 1 d . . .
F3A F 0.9728(5) 0.3025(2) 0.2806(5) 0.122(3) Uani 1 1 d . . .
O1A O 0.6987(3) 0.32127(15) 0.2747(2) 0.0305(7) Uani 1 1 d . . .
O2A O 0.8013(4) 0.25625(19) 0.3847(3) 0.0555(12) Uani 1 1 d . . .
C21A C 0.7933(4) 0.30079(19) 0.3290(3) 0.0271(8) Uani 1 1 d . . .
C22A C 0.9144(4) 0.3360(2) 0.3264(4) 0.0337(10) Uani 1 1 d . . .
F1B F -0.2321(5) -0.0261(2) 0.5539(3) 0.0964(19) Uani 1 1 d . . .
F2B F -0.1320(3) -0.0214(2) 0.6888(4) 0.0893(17) Uani 1 1 d . . .
F3B F -0.2916(3) 0.03610(17) 0.6440(3) 0.0587(10) Uani 1 1 d . . .
O1B O -0.0167(3) 0.05129(15) 0.5789(2) 0.0290(6) Uani 1 1 d . . .
O2B O -0.1536(3) 0.12853(17) 0.5998(3) 0.0397(8) Uani 1 1 d . . .
C21B C -0.1126(4) 0.0715(2) 0.5972(3) 0.0249(8) Uani 1 1 d . . .
C22B C -0.1923(4) 0.0147(2) 0.6211(3) 0.0295(9) Uani 1 1 d . . .
F1C F 0.6946(4) -0.2017(2) 1.1397(3) 0.0783(13) Uani 1 1 d . . .
F2C F 0.8394(4) -0.1962(2) 1.0739(3) 0.0751(13) Uani 1 1 d . . .
F3C F 0.8495(5) -0.1391(2) 1.1916(3) 0.0794(13) Uani 1 1 d . . .
O1C O 0.6019(4) -0.11307(19) 1.0130(3) 0.0434(8) Uani 1 1 d . . .
O2C O 0.7690(4) -0.0509(2) 1.0574(3) 0.0552(11) Uani 1 1 d . . .
C21C C 0.7080(5) -0.1015(3) 1.0576(3) 0.0371(10) Uani 1 1 d . . .
C22C C 0.7732(6) -0.1600(3) 1.1163(4) 0.0504(14) Uani 1 1 d . . .
O1 O -0.0127(3) 0.22009(15) 0.5402(3) 0.0360(8) Uani 1 1 d . . .
H1OA H -0.0589 0.1899 0.5601 0.043 Uiso 1 1 d R . .
H1OB H -0.0717 0.2316 0.4909 0.043 Uiso 1 1 d R . .
O2 O 0.9669(16) 0.0030(8) 1.1879(12) 0.251(7) Uiso 1 1 d . . .
H2OA H 0.9029 -0.0140 1.1457 0.301 Uiso 1 1 d R . .
H2OB H 1.0275 -0.0274 1.1925 0.301 Uiso 1 1 d R . .
O3 O 1.1658(16) -0.0949(9) 1.2043(12) 0.126(7) Uiso 0.53(2) 1 d P A 1
O3' O 1.1558(17) -0.1576(10) 1.2132(13) 0.119(8) Uiso 0.47(2) 1 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2B Ag1 O1A 146.49(12) . . ?
N2B Ag1 N1A 117.04(12) . . ?
O1A Ag1 N1A 96.31(12) . . ?
N1B Ag2 N2C 104.16(11) . . ?
N1B Ag2 O1B 150.07(11) . . ?
N2C Ag2 O1B 85.44(11) . . ?
N1B Ag2 O1 105.11(11) . . ?
N2C Ag2 O1 126.50(12) . . ?
O1B Ag2 O1 90.60(11) . . ?
N1C Ag3 O1C 139.17(13) . . ?
N1C Ag3 N2A 112.94(12) . 1_556 ?
O1C Ag3 N2A 106.65(13) . 1_556 ?
C4A N1A C1A 118.8(4) . . ?
C4A N1A Ag1 123.3(3) . . ?
C1A N1A Ag1 113.8(2) . . ?
C3A N2A C2A 119.4(4) . . ?
C3A N2A Ag3 122.9(3) . 1_554 ?
C2A N2A Ag3 117.1(3) . 1_554 ?
N1A C1A C2A 120.7(4) . . ?
N1A C1A C5A 115.2(4) . . ?
C2A C1A C5A 124.1(4) . . ?
N2A C2A C1A 118.8(4) . . ?
N2A C2A C13A 116.9(4) . . ?
C1A C2A C13A 124.3(4) . . ?
N2A C3A C4A 121.3(4) . . ?
N2A C3A H3A 119.3 . . ?
C4A C3A H3A 119.3 . . ?
N1A C4A C3A 120.7(4) . . ?
N1A C4A H4A 119.7 . . ?
C3A C4A H4A 119.7 . . ?
C10A C5A C6A 120.7(4) . . ?
C10A C5A C1A 120.2(4) . . ?
C6A C5A C1A 118.8(4) . . ?
C7A C6A C5A 120.2(5) . . ?
C7A C6A H6A 119.9 . . ?
C5A C6A H6A 119.9 . . ?
C8A C7A C6A 117.8(5) . . ?
C8A C7A C11A 121.5(5) . . ?
C6A C7A C11A 120.6(5) . . ?
C9A C8A C7A 123.0(5) . . ?
C9A C8A H8A 118.5 . . ?
C7A C8A H8A 118.5 . . ?
C8A C9A C10A 119.0(5) . . ?
C8A C9A C12A 121.6(5) . . ?
C10A C9A C12A 119.4(6) . . ?
C5A C10A C9A 119.3(5) . . ?
C5A C10A H10A 120.3 . . ?
C9A C10A H10A 120.3 . . ?
C7A C11A H11A 109.5 . . ?
C7A C11A H11B 109.5 . . ?
H11A C11A H11B 109.5 . . ?
C7A C11A H11C 109.5 . . ?
H11A C11A H11C 109.5 . . ?
H11B C11A H11C 109.5 . . ?
C9A C12A H12A 109.5 . . ?
C9A C12A H12B 109.5 . . ?
H12A C12A H12B 109.5 . . ?
C9A C12A H12C 109.5 . . ?
H12A C12A H12C 109.5 . . ?
H12B C12A H12C 109.5 . . ?
C14A C13A C18A 120.4(4) . . ?
C14A C13A C2A 120.2(4) . . ?
C18A C13A C2A 119.4(4) . . ?
C13A C14A C15A 120.8(4) . . ?
C13A C14A H14A 119.6 . . ?
C15A C14A H14A 119.6 . . ?
C14A C15A C16A 118.5(4) . . ?
C14A C15A C19A 121.7(4) . . ?
C16A C15A C19A 119.7(4) . . ?
C17A C16A C15A 121.7(5) . . ?
C17A C16A H16A 119.2 . . ?
C15A C16A H16A 119.2 . . ?
C16A C17A C18A 118.5(5) . . ?
C16A C17A C20A 121.7(5) . . ?
C18A C17A C20A 119.8(5) . . ?
C13A C18A C17A 120.1(5) . . ?
C13A C18A H18A 120.0 . . ?
C17A C18A H18A 120.0 . . ?
C15A C19A H19A 109.5 . . ?
C15A C19A H19B 109.5 . . ?
H19A C19A H19B 109.5 . . ?
C15A C19A H19C 109.5 . . ?
H19A C19A H19C 109.5 . . ?
H19B C19A H19C 109.5 . . ?
C17A C20A H20A 109.5 . . ?
C17A C20A H20B 109.5 . . ?
H20A C20A H20B 109.5 . . ?
C17A C20A H20C 109.5 . . ?
H20A C20A H20C 109.5 . . ?
H20B C20A H20C 109.5 . . ?
C4B N1B C1B 118.3(3) . . ?
C4B N1B Ag2 120.9(2) . . ?
C1B N1B Ag2 118.0(2) . . ?
C3B N2B C2B 118.5(3) . . ?
C3B N2B Ag1 120.4(2) . . ?
C2B N2B Ag1 120.7(2) . . ?
N1B C1B C2B 120.9(3) . . ?
N1B C1B C5B 115.0(3) . . ?
C2B C1B C5B 124.0(3) . . ?
N2B C2B C1B 119.6(3) . . ?
N2B C2B C13B 116.8(3) . . ?
C1B C2B C13B 123.5(3) . . ?
N2B C3B C4B 121.5(3) . . ?
N2B C3B H3B 119.2 . . ?
C4B C3B H3B 119.2 . . ?
N1B C4B C3B 121.0(3) . . ?
N1B C4B H4B 119.5 . . ?
C3B C4B H4B 119.5 . . ?
C10B C5B C6B 120.6(3) . . ?
C10B C5B C1B 121.5(3) . . ?
C6B C5B C1B 117.9(3) . . ?
C7B C6B C5B 120.2(4) . . ?
C7B C6B H6B 119.9 . . ?
C5B C6B H6B 119.9 . . ?
C6B C7B C8B 118.1(4) . . ?
C6B C7B C11B 120.3(4) . . ?
C8B C7B C11B 121.6(4) . . ?
C9B C8B C7B 122.6(4) . . ?
C9B C8B H8B 118.7 . . ?
C7B C8B H8B 118.7 . . ?
C8B C9B C10B 118.1(4) . . ?
C8B C9B C12B 120.7(4) . . ?
C10B C9B C12B 121.2(4) . . ?
C5B C10B C9B 120.4(4) . . ?
C5B C10B H10B 119.8 . . ?
C9B C10B H10B 119.8 . . ?
C7B C11B H11D 109.5 . . ?
C7B C11B H11E 109.5 . . ?
H11D C11B H11E 109.5 . . ?
C7B C11B H11F 109.5 . . ?
H11D C11B H11F 109.5 . . ?
H11E C11B H11F 109.5 . . ?
C9B C12B H12D 109.5 . . ?
C9B C12B H12E 109.5 . . ?
H12D C12B H12E 109.5 . . ?
C9B C12B H12F 109.5 . . ?
H12D C12B H12F 109.5 . . ?
H12E C12B H12F 109.5 . . ?
C18B C13B C14B 120.1(3) . . ?
C18B C13B C2B 120.7(3) . . ?
C14B C13B C2B 119.0(3) . . ?
C13B C14B C15B 119.9(4) . . ?
C13B C14B H14B 120.0 . . ?
C15B C14B H14B 120.0 . . ?
C16B C15B C14B 118.6(4) . . ?
C16B C15B C19B 121.0(4) . . ?
C14B C15B C19B 120.4(4) . . ?
C17B C16B C15B 122.2(4) . . ?
C17B C16B H16B 118.9 . . ?
C15B C16B H16B 118.9 . . ?
C16B C17B C18B 118.9(4) . . ?
C16B C17B C20B 120.7(4) . . ?
C18B C17B C20B 120.3(4) . . ?
C13B C18B C17B 120.2(4) . . ?
C13B C18B H18B 119.9 . . ?
C17B C18B H18B 119.9 . . ?
C15B C19B H19D 109.5 . . ?
C15B C19B H19E 109.5 . . ?
H19D C19B H19E 109.5 . . ?
C15B C19B H19F 109.5 . . ?
H19D C19B H19F 109.5 . . ?
H19E C19B H19F 109.5 . . ?
C17B C20B H20D 109.5 . . ?
C17B C20B H20E 109.5 . . ?
H20D C20B H20E 109.5 . . ?
C17B C20B H20F 109.5 . . ?
H20D C20B H20F 109.5 . . ?
H20E C20B H20F 109.5 . . ?
C4C N1C C1C 117.6(3) . . ?
C4C N1C Ag3 121.7(3) . . ?
C1C N1C Ag3 117.9(3) . . ?
C3C N2C C2C 118.2(4) . . ?
C3C N2C Ag2 116.3(3) . . ?
C2C N2C Ag2 125.4(3) . . ?
N1C C1C C2C 120.4(4) . . ?
N1C C1C C5C 116.0(3) . . ?
C2C C1C C5C 123.5(3) . . ?
N2C C2C C1C 120.5(3) . . ?
N2C C2C C13C 115.8(3) . . ?
C1C C2C C13C 123.6(3) . . ?
N2C C3C C4C 120.9(4) . . ?
N2C C3C H3C 119.5 . . ?
C4C C3C H3C 119.5 . . ?
N1C C4C C3C 121.8(4) . . ?
N1C C4C H4C 119.1 . . ?
C3C C4C H4C 119.1 . . ?
C6C C5C C10C 120.1(4) . . ?
C6C C5C C1C 119.9(4) . . ?
C10C C5C C1C 119.8(4) . . ?
C7C C6C C5C 120.2(5) . . ?
C7C C6C H6C 119.9 . . ?
C5C C6C H6C 119.9 . . ?
C8C C7C C6C 118.4(5) . . ?
C8C C7C C11C 121.8(5) . . ?
C6C C7C C11C 119.8(5) . . ?
C9C C8C C7C 122.5(5) . . ?
C9C C8C H8C 118.8 . . ?
C7C C8C H8C 118.8 . . ?
C8C C9C C10C 118.7(5) . . ?
C8C C9C C12C 121.2(5) . . ?
C10C C9C C12C 120.2(5) . . ?
C9C C10C C5C 120.1(4) . . ?
C9C C10C H10C 119.9 . . ?
C5C C10C H10C 119.9 . . ?
C7C C11C H11G 109.5 . . ?
C7C C11C H11H 109.5 . . ?
H11G C11C H11H 109.5 . . ?
C7C C11C H11I 109.5 . . ?
H11G C11C H11I 109.5 . . ?
H11H C11C H11I 109.5 . . ?
C9C C12C H12G 109.5 . . ?
C9C C12C H12H 109.5 . . ?
H12G C12C H12H 109.5 . . ?
C9C C12C H12I 109.5 . . ?
H12G C12C H12I 109.5 . . ?
H12H C12C H12I 109.5 . . ?
C14C C13C C18C 120.3(4) . . ?
C14C C13C C2C 119.5(3) . . ?
C18C C13C C2C 120.1(3) . . ?
C13C C14C C15C 120.2(3) . . ?
C13C C14C H14C 119.9 . . ?
C15C C14C H14C 119.9 . . ?
C16C C15C C14C 117.8(4) . . ?
C16C C15C C19C 121.3(4) . . ?
C14C C15C C19C 120.9(4) . . ?
C17C C16C C15C 122.5(4) . . ?
C17C C16C H16C 118.8 . . ?
C15C C16C H16C 118.8 . . ?
C16C C17C C18C 118.5(3) . . ?
C16C C17C C20C 121.9(4) . . ?
C18C C17C C20C 119.6(4) . . ?
C13C C18C C17C 120.6(3) . . ?
C13C C18C H18B 119.7 . . ?
C17C C18C H18B 119.7 . . ?
C15C C19C H19G 109.5 . . ?
C15C C19C H19H 109.5 . . ?
H19G C19C H19H 109.5 . . ?
C15C C19C H19I 109.5 . . ?
H19G C19C H19I 109.5 . . ?
H19H C19C H19I 109.5 . . ?
C17C C20C H20G 109.5 . . ?
C17C C20C H20H 109.5 . . ?
H20G C20C H20H 109.5 . . ?
C17C C20C H20I 109.5 . . ?
H20G C20C H20I 109.5 . . ?
H20H C20C H20I 109.5 . . ?
C21A O1A Ag1 100.8(2) . . ?
O2A C21A O1A 127.6(4) . . ?
O2A C21A C22A 116.6(4) . . ?
O1A C21A C22A 115.9(4) . . ?
F3A C22A F1A 108.8(5) . . ?
F3A C22A F2A 102.3(5) . . ?
F1A C22A F2A 107.0(5) . . ?
F3A C22A C21A 111.1(4) . . ?
F1A C22A C21A 114.6(4) . . ?
F2A C22A C21A 112.3(4) . . ?
C21B O1B Ag2 121.7(3) . . ?
O2B C21B O1B 131.0(4) . . ?
O2B C21B C22B 115.3(4) . . ?
O1B C21B C22B 113.7(4) . . ?
F1B C22B F2B 107.0(5) . . ?
F1B C22B F3B 106.2(4) . . ?
F2B C22B F3B 105.0(4) . . ?
F1B C22B C21B 111.5(4) . . ?
F2B C22B C21B 112.7(4) . . ?
F3B C22B C21B 113.9(4) . . ?
C21C O1C Ag3 104.2(3) . . ?
O2C C21C O1C 127.8(5) . . ?
O2C C21C C22C 116.8(5) . . ?
O1C C21C C22C 115.3(5) . . ?
F3C C22C F2C 107.0(5) . . ?
F3C C22C F1C 106.3(5) . . ?
F2C C22C F1C 106.7(5) . . ?
F3C C22C C21C 112.2(5) . . ?
F2C C22C C21C 111.2(5) . . ?
F1C C22C C21C 113.0(5) . . ?
Ag2 O1 H1OA 85.3 . . ?
Ag2 O1 H1OB 120.2 . . ?
H1OA O1 H1OB 95.9 . . ?
H2OA O2 H2OB 104.2 . . ?
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
Ag1 N2B 2.246(3) . ?
Ag1 O1A 2.309(3) . ?
Ag1 N1A 2.378(3) . ?
Ag2 N1B 2.334(3) . ?
Ag2 N2C 2.364(4) . ?
Ag2 O1B 2.403(3) . ?
Ag2 O1 2.420(3) . ?
Ag3 N1C 2.255(3) . ?
Ag3 O1C 2.278(4) . ?
Ag3 N2A 2.366(3) 1_556 ?
N1A C4A 1.327(5) . ?
N1A C1A 1.354(6) . ?
N2A C3A 1.323(6) . ?
N2A C2A 1.358(5) . ?
N2A Ag3 2.366(3) 1_554 ?
C1A C2A 1.406(6) . ?
C1A C5A 1.494(5) . ?
C2A C13A 1.471(6) . ?
C3A C4A 1.387(6) . ?
C3A H3A 0.9500 . ?
C4A H4A 0.9500 . ?
C5A C10A 1.387(7) . ?
C5A C6A 1.406(6) . ?
C6A C7A 1.399(7) . ?
C6A H6A 0.9500 . ?
C7A C8A 1.385(9) . ?
C7A C11A 1.500(9) . ?
C8A C9A 1.382(9) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.404(7) . ?
C9A C12A 1.505(8) . ?
C10A H10A 0.9500 . ?
C11A H11A 0.9800 . ?
C11A H11B 0.9800 . ?
C11A H11C 0.9800 . ?
C12A H12A 0.9800 . ?
C12A H12B 0.9800 . ?
C12A H12C 0.9800 . ?
C13A C14A 1.373(6) . ?
C13A C18A 1.389(6) . ?
C14A C15A 1.381(6) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.402(7) . ?
C15A C19A 1.523(7) . ?
C16A C17A 1.377(7) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.401(7) . ?
C17A C20A 1.510(8) . ?
C18A H18A 0.9500 . ?
C19A H19A 0.9800 . ?
C19A H19B 0.9800 . ?
C19A H19C 0.9800 . ?
C20A H20A 0.9800 . ?
C20A H20B 0.9800 . ?
C20A H20C 0.9800 . ?
N1B C4B 1.336(5) . ?
N1B C1B 1.346(5) . ?
N2B C3B 1.334(5) . ?
N2B C2B 1.355(4) . ?
C1B C2B 1.407(5) . ?
C1B C5B 1.488(5) . ?
C2B C13B 1.488(5) . ?
C3B C4B 1.384(5) . ?
C3B H3B 0.9500 . ?
C4B H4B 0.9500 . ?
C5B C10B 1.379(5) . ?
C5B C6B 1.396(5) . ?
C6B C7B 1.391(5) . ?
C6B H6B 0.9500 . ?
C7B C8B 1.398(7) . ?
C7B C11B 1.521(6) . ?
C8B C9B 1.384(6) . ?
C8B H8B 0.9500 . ?
C9B C10B 1.403(5) . ?
C9B C12B 1.490(6) . ?
C10B H10B 0.9500 . ?
C11B H11D 0.9800 . ?
C11B H11E 0.9800 . ?
C11B H11F 0.9800 . ?
C12B H12D 0.9800 . ?
C12B H12E 0.9800 . ?
C12B H12F 0.9800 . ?
C13B C18B 1.394(5) . ?
C13B C14B 1.398(5) . ?
C14B C15B 1.407(5) . ?
C14B H14B 0.9500 . ?
C15B C16B 1.385(6) . ?
C15B C19B 1.506(6) . ?
C16B C17B 1.383(6) . ?
C16B H16B 0.9500 . ?
C17B C18B 1.399(5) . ?
C17B C20B 1.509(6) . ?
C18B H18B 0.9500 . ?
C19B H19D 0.9800 . ?
C19B H19E 0.9800 . ?
C19B H19F 0.9800 . ?
C20B H20D 0.9800 . ?
C20B H20E 0.9800 . ?
C20B H20F 0.9800 . ?
N1C C4C 1.336(5) . ?
N1C C1C 1.358(5) . ?
N2C C3C 1.337(5) . ?
N2C C2C 1.352(5) . ?
C1C C2C 1.397(5) . ?
C1C C5C 1.482(6) . ?
C2C C13C 1.490(5) . ?
C3C C4C 1.381(6) . ?
C3C H3C 0.9500 . ?
C4C H4C 0.9500 . ?
C5C C6C 1.395(6) . ?
C5C C10C 1.398(6) . ?
C6C C7C 1.392(7) . ?
C6C H6C 0.9500 . ?
C7C C8C 1.392(8) . ?
C7C C11C 1.500(7) . ?
C8C C9C 1.380(8) . ?
C8C H8C 0.9500 . ?
C9C C10C 1.393(7) . ?
C9C C12C 1.520(8) . ?
C10C H10C 0.9500 . ?
C11C H11G 0.9800 . ?
C11C H11H 0.9800 . ?
C11C H11I 0.9800 . ?
C12C H12G 0.9800 . ?
C12C H12H 0.9800 . ?
C12C H12I 0.9800 . ?
C13C C14C 1.384(5) . ?
C13C C18C 1.388(5) . ?
C14C C15C 1.404(5) . ?
C14C H14C 0.9500 . ?
C15C C16C 1.397(6) . ?
C15C C19C 1.508(6) . ?
C16C C17C 1.379(6) . ?
C16C H16C 0.9500 . ?
C17C C18C 1.390(5) . ?
C17C C20C 1.501(5) . ?
C18C H18B 0.9500 . ?
C19C H19G 0.9800 . ?
C19C H19H 0.9800 . ?
C19C H19I 0.9800 . ?
C20C H20G 0.9800 . ?
C20C H20H 0.9800 . ?
C20C H20I 0.9800 . ?
F1A C22A 1.298(5) . ?
F2A C22A 1.345(7) . ?
F3A C22A 1.272(6) . ?
O1A C21A 1.238(6) . ?
O2A C21A 1.226(6) . ?
C21A C22A 1.538(6) . ?
F1B C22B 1.305(6) . ?
F2B C22B 1.307(6) . ?
F3B C22B 1.322(5) . ?
O1B C21B 1.247(5) . ?
O2B C21B 1.234(5) . ?
C21B C22B 1.547(6) . ?
F1C C22C 1.329(8) . ?
F2C C22C 1.325(7) . ?
F3C C22C 1.321(8) . ?
O1C C21C 1.231(7) . ?
O2C C21C 1.221(7) . ?
C21C C22C 1.541(7) . ?
O1 H1OA 0.9000 . ?
O1 H1OB 0.9001 . ?
O2 H2OA 0.9000 . ?
O2 H2OB 0.8997 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1OA O2B 0.90 1.83 2.729(5) 179.5 .
O1 H1OB O2A 0.90 1.94 2.836(6) 179.8 1_455
O2 H2OA O2C 0.90 1.90 2.797(18) 179.2 .
O2 H2OB O3 0.90 2.03 2.93(2) 179.1 .
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
N2B Ag1 N1A C4A -117.7(3) . . . . ?
O1A Ag1 N1A C4A 65.7(3) . . . . ?
N2B Ag1 N1A C1A 39.2(3) . . . . ?
O1A Ag1 N1A C1A -137.4(3) . . . . ?
C4A N1A C1A C2A -1.8(6) . . . . ?
Ag1 N1A C1A C2A -159.8(3) . . . . ?
C4A N1A C1A C5A 176.2(4) . . . . ?
Ag1 N1A C1A C5A 18.1(4) . . . . ?
C3A N2A C2A C1A -4.0(6) . . . . ?
Ag3 N2A C2A C1A -175.8(3) 1_554 . . . ?
C3A N2A C2A C13A 174.9(4) . . . . ?
Ag3 N2A C2A C13A 3.1(5) 1_554 . . . ?
N1A C1A C2A N2A 5.3(6) . . . . ?
C5A C1A C2A N2A -172.5(4) . . . . ?
N1A C1A C2A C13A -173.6(4) . . . . ?
C5A C1A C2A C13A 8.6(6) . . . . ?
C2A N2A C3A C4A -0.4(6) . . . . ?
Ag3 N2A C3A C4A 170.9(3) 1_554 . . . ?
C1A N1A C4A C3A -2.8(6) . . . . ?
Ag1 N1A C4A C3A 153.0(3) . . . . ?
N2A C3A C4A N1A 4.1(6) . . . . ?
N1A C1A C5A C10A -129.2(4) . . . . ?
C2A C1A C5A C10A 48.6(6) . . . . ?
N1A C1A C5A C6A 45.1(6) . . . . ?
C2A C1A C5A C6A -137.0(4) . . . . ?
C10A C5A C6A C7A -1.4(7) . . . . ?
C1A C5A C6A C7A -175.7(4) . . . . ?
C5A C6A C7A C8A 1.7(8) . . . . ?
C5A C6A C7A C11A -180.0(5) . . . . ?
C6A C7A C8A C9A -0.7(8) . . . . ?
C11A C7A C8A C9A -179.1(5) . . . . ?
C7A C8A C9A C10A -0.6(8) . . . . ?
C7A C8A C9A C12A 177.1(5) . . . . ?
C6A C5A C10A C9A 0.1(7) . . . . ?
C1A C5A C10A C9A 174.3(4) . . . . ?
C8A C9A C10A C5A 0.9(7) . . . . ?
C12A C9A C10A C5A -176.9(4) . . . . ?
N2A C2A C13A C14A -121.8(4) . . . . ?
C1A C2A C13A C14A 57.1(6) . . . . ?
N2A C2A C13A C18A 55.1(5) . . . . ?
C1A C2A C13A C18A -126.0(4) . . . . ?
C18A C13A C14A C15A -1.3(6) . . . . ?
C2A C13A C14A C15A 175.6(4) . . . . ?
C13A C14A C15A C16A -0.1(6) . . . . ?
C13A C14A C15A C19A -179.9(4) . . . . ?
C14A C15A C16A C17A 2.5(6) . . . . ?
C19A C15A C16A C17A -177.6(4) . . . . ?
C15A C16A C17A C18A -3.6(7) . . . . ?
C15A C16A C17A C20A 175.4(5) . . . . ?
C14A C13A C18A C17A 0.2(6) . . . . ?
C2A C13A C18A C17A -176.7(4) . . . . ?
C16A C17A C18A C13A 2.2(7) . . . . ?
C20A C17A C18A C13A -176.8(5) . . . . ?
N2C Ag2 N1B C4B -115.0(3) . . . . ?
O1B Ag2 N1B C4B 139.1(3) . . . . ?
O1 Ag2 N1B C4B 19.7(3) . . . . ?
N2C Ag2 N1B C1B 46.0(3) . . . . ?
O1B Ag2 N1B C1B -59.8(4) . . . . ?
O1 Ag2 N1B C1B -179.2(3) . . . . ?
O1A Ag1 N2B C3B 46.6(4) . . . . ?
N1A Ag1 N2B C3B -127.4(3) . . . . ?
O1A Ag1 N2B C2B -141.6(3) . . . . ?
N1A Ag1 N2B C2B 44.4(3) . . . . ?
C4B N1B C1B C2B -0.7(6) . . . . ?
Ag2 N1B C1B C2B -162.3(3) . . . . ?
C4B N1B C1B C5B 177.3(3) . . . . ?
Ag2 N1B C1B C5B 15.7(4) . . . . ?
C3B N2B C2B C1B -2.2(5) . . . . ?
Ag1 N2B C2B C1B -174.1(3) . . . . ?
C3B N2B C2B C13B 175.5(3) . . . . ?
Ag1 N2B C2B C13B 3.5(4) . . . . ?
N1B C1B C2B N2B 3.0(6) . . . . ?
C5B C1B C2B N2B -174.8(3) . . . . ?
N1B C1B C2B C13B -174.5(4) . . . . ?
C5B C1B C2B C13B 7.7(6) . . . . ?
C2B N2B C3B C4B -0.7(6) . . . . ?
Ag1 N2B C3B C4B 171.3(3) . . . . ?
C1B N1B C4B C3B -2.2(6) . . . . ?
Ag2 N1B C4B C3B 158.8(3) . . . . ?
N2B C3B C4B N1B 3.0(6) . . . . ?
N1B C1B C5B C10B -125.4(4) . . . . ?
C2B C1B C5B C10B 52.5(5) . . . . ?
N1B C1B C5B C6B 51.9(5) . . . . ?
C2B C1B C5B C6B -130.2(4) . . . . ?
C10B C5B C6B C7B 0.6(6) . . . . ?
C1B C5B C6B C7B -176.7(3) . . . . ?
C5B C6B C7B C8B 1.5(6) . . . . ?
C5B C6B C7B C11B -179.9(4) . . . . ?
C6B C7B C8B C9B -2.1(6) . . . . ?
C11B C7B C8B C9B 179.3(4) . . . . ?
C7B C8B C9B C10B 0.5(6) . . . . ?
C7B C8B C9B C12B 179.1(4) . . . . ?
C6B C5B C10B C9B -2.3(5) . . . . ?
C1B C5B C10B C9B 174.9(3) . . . . ?
C8B C9B C10B C5B 1.7(5) . . . . ?
C12B C9B C10B C5B -176.8(4) . . . . ?
N2B C2B C13B C18B 47.8(5) . . . . ?
C1B C2B C13B C18B -134.6(4) . . . . ?
N2B C2B C13B C14B -127.6(4) . . . . ?
C1B C2B C13B C14B 50.0(5) . . . . ?
C18B C13B C14B C15B -0.3(6) . . . . ?
C2B C13B C14B C15B 175.1(3) . . . . ?
C13B C14B C15B C16B -0.6(6) . . . . ?
C13B C14B C15B C19B 179.5(4) . . . . ?
C14B C15B C16B C17B 1.2(6) . . . . ?
C19B C15B C16B C17B -178.8(4) . . . . ?
C15B C16B C17B C18B -0.9(6) . . . . ?
C15B C16B C17B C20B -179.8(4) . . . . ?
C14B C13B C18B C17B 0.6(6) . . . . ?
C2B C13B C18B C17B -174.8(4) . . . . ?
C16B C17B C18B C13B 0.0(6) . . . . ?
C20B C17B C18B C13B 178.9(4) . . . . ?
O1C Ag3 N1C C4C 42.9(4) . . . . ?
N2A Ag3 N1C C4C -122.1(3) 1_556 . . . ?
O1C Ag3 N1C C1C -156.5(2) . . . . ?
N2A Ag3 N1C C1C 38.5(3) 1_556 . . . ?
N1B Ag2 N2C C3C -126.0(3) . . . . ?
O1B Ag2 N2C C3C 25.3(3) . . . . ?
O1 Ag2 N2C C3C 112.6(3) . . . . ?
N1B Ag2 N2C C2C 50.9(3) . . . . ?
O1B Ag2 N2C C2C -157.8(3) . . . . ?
O1 Ag2 N2C C2C -70.5(3) . . . . ?
C4C N1C C1C C2C -1.6(5) . . . . ?
Ag3 N1C C1C C2C -163.1(3) . . . . ?
C4C N1C C1C C5C 175.3(3) . . . . ?
Ag3 N1C C1C C5C 13.9(4) . . . . ?
C3C N2C C2C C1C -5.3(5) . . . . ?
Ag2 N2C C2C C1C 177.9(2) . . . . ?
C3C N2C C2C C13C 174.0(3) . . . . ?
Ag2 N2C C2C C13C -2.9(4) . . . . ?
N1C C1C C2C N2C 6.4(5) . . . . ?
C5C C1C C2C N2C -170.3(3) . . . . ?
N1C C1C C2C C13C -172.8(3) . . . . ?
C5C C1C C2C C13C 10.5(5) . . . . ?
C2C N2C C3C C4C -0.3(6) . . . . ?
Ag2 N2C C3C C4C 176.8(3) . . . . ?
C1C N1C C4C C3C -4.0(5) . . . . ?
Ag3 N1C C4C C3C 156.7(3) . . . . ?
N2C C3C C4C N1C 5.2(6) . . . . ?
N1C C1C C5C C6C 46.2(5) . . . . ?
C2C C1C C5C C6C -136.9(4) . . . . ?
N1C C1C C5C C10C -128.5(4) . . . . ?
C2C C1C C5C C10C 48.3(5) . . . . ?
C10C C5C C6C C7C -1.1(6) . . . . ?
C1C C5C C6C C7C -175.8(4) . . . . ?
C5C C6C C7C C8C 0.4(6) . . . . ?
C5C C6C C7C C11C 177.6(4) . . . . ?
C6C C7C C8C C9C 0.6(7) . . . . ?
C11C C7C C8C C9C -176.6(5) . . . . ?
C7C C8C C9C C10C -0.7(7) . . . . ?
C7C C8C C9C C12C 179.3(5) . . . . ?
C8C C9C C10C C5C 0.0(7) . . . . ?
C12C C9C C10C C5C 179.9(5) . . . . ?
C6C C5C C10C C9C 0.9(6) . . . . ?
C1C C5C C10C C9C 175.6(4) . . . . ?
N2C C2C C13C C14C -126.2(4) . . . . ?
C1C C2C C13C C14C 53.1(5) . . . . ?
N2C C2C C13C C18C 54.1(5) . . . . ?
C1C C2C C13C C18C -126.6(4) . . . . ?
C18C C13C C14C C15C -0.8(6) . . . . ?
C2C C13C C14C C15C 179.5(4) . . . . ?
C13C C14C C15C C16C 2.0(7) . . . . ?
C13C C14C C15C C19C -177.6(5) . . . . ?
C14C C15C C16C C17C -2.5(7) . . . . ?
C19C C15C C16C C17C 177.1(5) . . . . ?
C15C C16C C17C C18C 1.7(7) . . . . ?
C15C C16C C17C C20C -177.9(4) . . . . ?
C14C C13C C18C C17C -0.1(6) . . . . ?
C2C C13C C18C C17C 179.6(4) . . . . ?
C16C C17C C18C C13C -0.3(6) . . . . ?
C20C C17C C18C C13C 179.3(4) . . . . ?
N2B Ag1 O1A C21A 86.6(3) . . . . ?
N1A Ag1 O1A C21A -98.8(3) . . . . ?
Ag1 O1A C21A O2A -11.6(6) . . . . ?
Ag1 O1A C21A C22A 169.0(3) . . . . ?
O2A C21A C22A F3A 82.8(7) . . . . ?
O1A C21A C22A F3A -97.7(6) . . . . ?
O2A C21A C22A F1A -153.4(5) . . . . ?
O1A C21A C22A F1A 26.0(6) . . . . ?
O2A C21A C22A F2A -31.0(6) . . . . ?
O1A C21A C22A F2A 148.5(5) . . . . ?
N1B Ag2 O1B C21B -126.5(3) . . . . ?
N2C Ag2 O1B C21B 122.8(3) . . . . ?
O1 Ag2 O1B C21B -3.7(3) . . . . ?
Ag2 O1B C21B O2B -1.7(7) . . . . ?
Ag2 O1B C21B C22B 178.6(3) . . . . ?
O2B C21B C22B F1B 117.9(5) . . . . ?
O1B C21B C22B F1B -62.3(6) . . . . ?
O2B C21B C22B F2B -121.7(5) . . . . ?
O1B C21B C22B F2B 58.0(6) . . . . ?
O2B C21B C22B F3B -2.2(6) . . . . ?
O1B C21B C22B F3B 177.5(4) . . . . ?
N1C Ag3 O1C C21C 136.3(3) . . . . ?
N2A Ag3 O1C C21C -58.2(3) 1_556 . . . ?
Ag3 O1C C21C O2C -3.9(6) . . . . ?
Ag3 O1C C21C C22C 179.9(3) . . . . ?
O2C C21C C22C F3C 36.5(7) . . . . ?
O1C C21C C22C F3C -146.9(5) . . . . ?
O2C C21C C22C F2C -83.3(7) . . . . ?
O1C C21C C22C F2C 93.3(6) . . . . ?
O2C C21C C22C F1C 156.7(5) . . . . ?
O1C C21C C22C F1C -26.7(7) . . . . ?
