#------------------------------------------------------------------------------
#$Date: 2019-09-25 12:07:58 +0300 (Wed, 25 Sep 2019) $
#$Revision: 218822 $
#$URL: file:///home/coder/svn-repositories/cod/cif/3/00/02/3000218.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_3000218
loop_
_publ_author_name
'Esteban-Parra, Ginés M'
'Méndez-Arriaga, José M'
'Rodríguez-Diéguez, Antonio'
'Quirós, Miguel'
'Salas, Juan M'
'Sánchez-Moreno, Manuel'
_publ_section_title
;
 High antiparasitic activity of silver complexes of
 5,7-dimethyl-1,2,4-triazolo[1,5 a]pyrimidine.
;
_journal_name_full               'Journal of inorganic biochemistry'
_journal_page_first              110810
_journal_paper_doi               10.1016/j.jinorgbio.2019.110810
_journal_volume                  201
_journal_year                    2019
_chemical_formula_moiety
'C14 H16 Ag2 B2 F8 N8, 2(C21 H24 Ag2 N12 +2), 4(B F4 -), 2(H2 O)'
_chemical_formula_sum            'C56 H68 Ag6 B6 F24 N32 O2'
_chemical_formula_weight         2389.50
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 100.9670(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.0038(3)
_cell_length_b                   27.5554(8)
_cell_length_c                   12.8479(4)
_cell_measurement_reflns_used    25609
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      64.187
_cell_measurement_theta_min      3.207
_cell_volume                     4172.1(2)
_computing_cell_refinement       'Bruker ApexII'
_computing_data_collection       'Bruker ApexII'
_computing_data_reduction        'Bruker ApexII'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.830
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'Phi and Omega Scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.830
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            33862
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.830
_diffrn_reflns_theta_full        61.200
_diffrn_reflns_theta_max         73.254
_diffrn_reflns_theta_min         3.207
_diffrn_source                   'Fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    12.110
_exptl_absorpt_correction_T_max  0.7526
_exptl_absorpt_correction_T_min  0.2929
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.902
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2344
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.223
_refine_diff_density_min         -1.401
_refine_diff_density_rms         0.143
_refine_ls_extinction_coef       0.00065(7)
_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   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     576
_refine_ls_number_reflns         6943
_refine_ls_number_restraints     136
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0714
_refine_ls_R_factor_gt           0.0615
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²+20.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1670
_refine_ls_wR_factor_ref         0.1766
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5943
_reflns_number_total             6943
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            agbf4_a.cif
_cod_data_source_block           agbf4_a
_cod_depositor_comments
'Releasing structure 3000218 into public domain as published material.'
_cod_database_code               3000218
_cod_database_fobs_code          3000218
_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_min   0.159
_shelx_estimated_absorpt_t_max   0.444
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Ag1 Ag 0.42321(4) 0.65408(2) 0.75879(5) 0.0484(2) Uani 1 1 d . . . . .
Ag2 Ag 0.51839(4) 0.66577(2) 0.55571(5) 0.0510(2) Uani 1 1 d . . . . .
Ag3 Ag 0.01543(5) 0.54916(2) 0.96054(5) 0.0548(2) Uani 1 1 d . . . . .
N1A N 0.8220(5) 0.7044(3) 0.7762(6) 0.0570(17) Uani 1 1 d . . . . .
C2A C 0.7542(6) 0.7019(3) 0.6788(7) 0.057(2) Uani 1 1 d . . . . .
H2A H 0.779084 0.705779 0.613392 0.068 Uiso 1 1 d R U . . .
N3A N 0.6518(5) 0.6935(2) 0.6885(5) 0.0462(15) Uani 1 1 d . . . . .
C3AA C 0.6566(5) 0.6899(2) 0.8002(6) 0.0389(15) Uani 1 1 d . . . . .
N4A N 0.5787(4) 0.6801(2) 0.8571(5) 0.0424(14) Uani 1 1 d . . . . .
C5A C 0.6059(6) 0.6791(3) 0.9687(7) 0.053(2) Uani 1 1 d . . . . .
C6A C 0.7123(7) 0.6864(4) 1.0265(7) 0.058(2) Uani 1 1 d . . . . .
H6A H 0.729432 0.685787 1.101745 0.069 Uiso 1 1 d R U . . .
C7A C 0.7889(7) 0.6944(4) 0.9671(7) 0.062(2) Uani 1 1 d . . . . .
N8A N 0.7581(4) 0.6971(2) 0.8530(5) 0.0439(14) Uani 1 1 d . . . . .
C51A C 0.5212(8) 0.6681(5) 1.0346(9) 0.089(4) Uani 1 1 d . . . . .
H51A H 0.478441 0.697600 1.043882 0.133 Uiso 1 1 d R U . . .
H51B H 0.559846 0.656295 1.104091 0.133 Uiso 1 1 d R U . . .
H51C H 0.468952 0.643141 0.999795 0.133 Uiso 1 1 d R U . . .
C71A C 0.9043(8) 0.7002(6) 1.0171(9) 0.108(5) Uani 1 1 d . . . . .
H71A H 0.951492 0.677276 0.986307 0.162 Uiso 1 1 d R U . . .
H71B H 0.912286 0.693783 1.093218 0.162 Uiso 1 1 d R U . . .
H71C H 0.928760 0.733420 1.006368 0.162 Uiso 1 1 d R U . . .
N1B N 0.6187(6) 0.5081(3) 0.5899(7) 0.068(2) Uani 1 1 d . . . . .
C2B C 0.6121(7) 0.5519(3) 0.5507(8) 0.064(2) Uani 1 1 d . . . . .
H2B H 0.652015 0.561139 0.496642 0.076 Uiso 1 1 d R U . . .
N3B N 0.5465(5) 0.5830(2) 0.5906(6) 0.0540(16) Uani 1 1 d . . . . .
C3AB C 0.5085(6) 0.5560(3) 0.6660(7) 0.0477(18) Uani 1 1 d . . . . .
N4B N 0.4425(5) 0.5691(2) 0.7348(6) 0.0516(16) Uani 1 1 d . . . . .
C5B C 0.4162(7) 0.5342(3) 0.8007(8) 0.060(2) Uani 1 1 d . . . . .
C6B C 0.4560(7) 0.4868(3) 0.8006(8) 0.063(2) Uani 1 1 d . . . . .
H6B H 0.433397 0.463214 0.846420 0.076 Uiso 1 1 d R U . . .
C7B C 0.5268(7) 0.4744(3) 0.7350(8) 0.059(2) Uani 1 1 d . . . . .
N8B N 0.5517(5) 0.5109(2) 0.6670(6) 0.0540(17) Uani 1 1 d . . . . .
C51B C 0.3409(11) 0.5475(4) 0.8772(11) 0.092(4) Uani 1 1 d . . . . .
H51D H 0.380082 0.571064 0.928716 0.138 Uiso 1 1 d R U . . .
H51E H 0.323064 0.518388 0.914519 0.138 Uiso 1 1 d R U . . .
H51F H 0.270498 0.561931 0.838326 0.138 Uiso 1 1 d R U . . .
C71B C 0.5783(9) 0.4266(4) 0.7309(10) 0.082(3) Uani 1 1 d . . . . .
H71D H 0.579293 0.418172 0.657011 0.123 Uiso 1 1 d R U . . .
H71E H 0.534129 0.402437 0.761501 0.123 Uiso 1 1 d R U . . .
H71F H 0.656220 0.427268 0.771460 0.123 Uiso 1 1 d R U . . .
N1C N 0.1111(5) 0.6899(3) 0.5514(6) 0.0602(19) Uani 1 1 d . . . . .
C2C C 0.1802(6) 0.6790(3) 0.6426(7) 0.0490(18) Uani 1 1 d . . . . .
H2C H 0.155609 0.673946 0.707856 0.059 Uiso 1 1 d R U . . .
N3C N 0.2827(5) 0.6761(2) 0.6314(5) 0.0447(14) Uani 1 1 d . . . . .
C3AC C 0.2791(5) 0.6862(2) 0.5236(6) 0.0393(16) Uani 1 1 d . . . . .
N4C N 0.3591(4) 0.6895(2) 0.4661(4) 0.0382(13) Uani 1 1 d . . . . .
C5C C 0.3328(6) 0.7024(2) 0.3565(6) 0.0428(16) Uani 1 1 d . . . . .
C6C C 0.2268(7) 0.7113(3) 0.3047(6) 0.0484(18) Uani 1 1 d . . . . .
H6C H 0.209895 0.719560 0.231595 0.058 Uiso 1 1 d R U . . .
C7C C 0.1468(6) 0.7076(3) 0.3636(7) 0.054(2) Uani 1 1 d . . . . .
N8C N 0.1763(5) 0.6955(2) 0.4738(5) 0.0461(15) Uani 1 1 d . . . . .
C51C C 0.4195(7) 0.7073(3) 0.2920(7) 0.0540(19) Uani 1 1 d . . . . .
H51G H 0.458123 0.738573 0.306928 0.081 Uiso 1 1 d R U . . .
H51H H 0.384088 0.705669 0.216803 0.081 Uiso 1 1 d R U . . .
H51I H 0.474871 0.680940 0.308889 0.081 Uiso 1 1 d R U . . .
C71C C 0.0326(8) 0.7185(5) 0.3184(9) 0.095(4) Uani 1 1 d . . . . .
H71G H -0.016987 0.692960 0.337115 0.143 Uiso 1 1 d R U . . .
H71H H 0.023959 0.720317 0.241136 0.143 Uiso 1 1 d R U . . .
H71I H 0.011605 0.749710 0.345770 0.143 Uiso 1 1 d R U . . .
N1D N -0.1400(6) 0.4067(2) 0.6913(6) 0.0558(17) Uani 1 1 d . . . . .
C2D C -0.1102(7) 0.4013(3) 0.8011(7) 0.057(2) Uani 1 1 d . . . . .
H2D H -0.117847 0.370875 0.834031 0.068 Uiso 1 1 d R U . . .
N3D N -0.0694(5) 0.4412(2) 0.8601(5) 0.0475(15) Uani 1 1 d . . . . .
C3AD C -0.0745(5) 0.4749(3) 0.7813(6) 0.0441(17) Uani 1 1 d . . . . .
N4D N -0.0443(5) 0.5216(2) 0.7903(5) 0.0439(14) Uani 1 1 d . . . . .
C5D C -0.0612(6) 0.5480(3) 0.6961(7) 0.0514(19) Uani 1 1 d . . . . .
C6D C -0.1055(6) 0.5278(3) 0.5901(6) 0.0521(19) Uani 1 1 d . . . . .
H6D H -0.113942 0.548412 0.529777 0.063 Uiso 1 1 d R U . . .
C7D C -0.1341(6) 0.4805(3) 0.5775(7) 0.055(2) Uani 1 1 d . . . . .
N8D N -0.1178(5) 0.4547(2) 0.6779(5) 0.0446(14) Uani 1 1 d . . . . .
C51D C -0.0355(9) 0.6009(3) 0.7062(9) 0.071(3) Uani 1 1 d . . . . .
H51J H -0.093854 0.617279 0.737246 0.106 Uiso 1 1 d R U . . .
H51K H -0.034538 0.614517 0.635897 0.106 Uiso 1 1 d R U . . .
H51L H 0.038854 0.605665 0.752010 0.106 Uiso 1 1 d R U . . .
C71D C -0.1801(8) 0.4543(4) 0.4742(8) 0.072(3) Uani 1 1 d . . . . .
H71J H -0.131034 0.426624 0.466412 0.108 Uiso 1 1 d R U . . .
H71K H -0.181864 0.476652 0.414615 0.108 Uiso 1 1 d R U . . .
H71L H -0.257107 0.442662 0.474981 0.108 Uiso 1 1 d R U . . .
B1 B 0.7293(8) 0.6545(4) 0.3750(7) 0.065(3) Uani 1 1 d D . . . .
F11 F 0.8004(9) 0.6317(5) 0.4494(9) 0.209(6) Uani 1 1 d D . . . .
F21 F 0.6691(13) 0.6866(6) 0.4221(11) 0.149(6) Uiso 0.6 1 d D . P A 1
F31 F 0.6559(15) 0.6226(6) 0.3188(14) 0.187(8) Uiso 0.6 1 d D . P A 1
F41 F 0.7780(13) 0.6775(7) 0.3048(13) 0.166(6) Uiso 0.6 1 d D . P A 1
F41' F 0.6288(12) 0.6435(8) 0.3962(15) 0.126(7) Uiso 0.4 1 d D . P A 2
F21' F 0.7392(19) 0.6427(9) 0.2798(12) 0.156(9) Uiso 0.4 1 d D . P A 2
F31' F 0.746(2) 0.7021(6) 0.390(2) 0.223(15) Uiso 0.4 1 d D . P A 2
B2 B 0.2166(8) 0.6628(3) 0.9801(8) 0.050(2) Uani 1 1 d . . . . .
F12 F 0.2796(5) 0.6362(3) 1.0627(5) 0.097(2) Uani 1 1 d . . . . .
F22 F 0.2720(5) 0.6758(3) 0.8973(5) 0.098(2) Uani 1 1 d . . . . .
F32 F 0.1355(7) 0.6357(4) 0.9323(8) 0.147(4) Uani 1 1 d . . . . .
F42 F 0.1829(8) 0.7019(3) 1.0283(6) 0.125(3) Uani 1 1 d . . . . .
B3 B -0.2646(11) 0.5579(5) 0.9181(11) 0.062(3) Uiso 0.5 1 d D . P B 1
B3' B -0.2546(10) 0.5537(5) 0.9423(11) 0.062(3) Uiso 0.5 1 d D . P B 2
F13 F -0.3546(5) 0.5654(3) 0.9614(7) 0.126(3) Uani 1 1 d D . . . .
F43 F -0.2591(7) 0.5127(3) 0.8856(8) 0.154(4) Uani 1 1 d D . . . .
F23 F -0.2662(12) 0.5864(4) 0.8344(10) 0.100(4) Uiso 0.5 1 d D . P B 1
F33 F -0.1757(11) 0.5714(7) 0.9938(13) 0.165(8) Uiso 0.5 1 d D . P B 1
F23' F -0.2057(11) 0.5894(4) 0.8970(12) 0.108(4) Uiso 0.5 1 d D . P B 2
F33' F -0.1863(11) 0.5421(6) 1.0349(10) 0.121(5) Uiso 0.5 1 d D . P B 2
O1W O 0.1411(12) 0.4504(6) 0.7276(13) 0.160(5) Uani 1 1 d D . . . .
H11W H 0.14(2) 0.437(8) 0.786(8) 0.192 Uiso 1 1 d D U . . .
H12W H 0.178(16) 0.429(6) 0.704(16) 0.192 Uiso 1 1 d D U . . .
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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 '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'
B B 0.0090 0.0039 '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
N4A Ag1 N3C 142.7(2) . .
N4A Ag1 N4B 107.9(2) . .
N3C Ag1 N4B 104.7(2) . .
N4A Ag1 Ag2 92.42(17) . .
N3C Ag1 Ag2 72.18(16) . .
N4B Ag1 Ag2 86.09(17) . .
N4C Ag2 N3A 137.9(2) . .
N4C Ag2 N3B 118.9(2) . .
N3A Ag2 N3B 97.5(2) . .
N4C Ag2 Ag1 92.90(16) . .
N3A Ag2 Ag1 73.46(16) . .
N3B Ag2 Ag1 78.30(18) . .
N3D Ag3 N4D 167.1(2) 3_567 .
N3D Ag3 F33 83.8(4) 3_567 .
N4D Ag3 F33 96.5(3) . .
N3D Ag3 Ag3 77.84(16) 3_567 3_567
N4D Ag3 Ag3 89.27(15) . 3_567
F33 Ag3 Ag3 89.3(5) . 3_567
C2A N1A N8A 109.6(6) . .
N3A C2A N1A 109.8(8) . .
N3A C2A H2A 125.1 . .
N1A C2A H2A 125.1 . .
C2A N3A C3AA 104.7(6) . .
C2A N3A Ag2 123.3(6) . .
C3AA N3A Ag2 128.8(4) . .
N8A C3AA N4A 115.9(6) . .
N8A C3AA N3A 111.7(6) . .
N4A C3AA N3A 132.3(6) . .
C3AA N4A C5A 121.1(6) . .
C3AA N4A Ag1 111.5(5) . .
C5A N4A Ag1 126.4(5) . .
C6A C5A N4A 124.3(7) . .
C6A C5A C51A 113.2(8) . .
N4A C5A C51A 122.5(7) . .
C7A C6A C5A 113.1(8) . .
C7A C6A H6A 123.4 . .
C5A C6A H6A 123.4 . .
C6A C7A C71A 118.9(9) . .
C6A C7A N8A 121.5(7) . .
C71A C7A N8A 119.6(8) . .
C3AA N8A N1A 104.1(6) . .
C3AA N8A C7A 124.1(6) . .
N1A N8A C7A 131.7(6) . .
C5A C51A H51A 109.5 . .
C5A C51A H51B 109.5 . .
H51A C51A H51B 109.5 . .
C5A C51A H51C 109.5 . .
H51A C51A H51C 109.5 . .
H51B C51A H51C 109.5 . .
C7A C71A H71A 109.5 . .
C7A C71A H71B 109.5 . .
H71A C71A H71B 109.5 . .
C7A C71A H71C 109.5 . .
H71A C71A H71C 109.5 . .
H71B C71A H71C 109.5 . .
C2B N1B N8B 102.9(7) . .
N1B C2B N3B 116.3(8) . .
N1B C2B H2B 121.8 . .
N3B C2B H2B 121.8 . .
C2B N3B C3AB 103.0(7) . .
C2B N3B Ag2 129.0(6) . .
C3AB N3B Ag2 127.7(5) . .
N4B C3AB N8B 121.0(7) . .
N4B C3AB N3B 129.6(7) . .
N8B C3AB N3B 109.3(7) . .
C3AB N4B C5B 117.1(7) . .
C3AB N4B Ag1 115.7(5) . .
C5B N4B Ag1 125.2(6) . .
N4B C5B C6B 123.0(8) . .
N4B C5B C51B 118.3(8) . .
C6B C5B C51B 118.7(8) . .
C7B C6B C5B 119.7(8) . .
C7B C6B H6B 120.1 . .
C5B C6B H6B 120.1 . .
C6B C7B N8B 116.3(7) . .
C6B C7B C71B 124.9(8) . .
N8B C7B C71B 118.8(9) . .
C3AB N8B N1B 108.5(7) . .
C3AB N8B C7B 122.7(7) . .
N1B N8B C7B 128.7(7) . .
C5B C51B H51D 109.5 . .
C5B C51B H51E 109.5 . .
H51D C51B H51E 109.5 . .
C5B C51B H51F 109.5 . .
H51D C51B H51F 109.5 . .
H51E C51B H51F 109.5 . .
C7B C71B H71D 109.5 . .
C7B C71B H71E 109.5 . .
H71D C71B H71E 109.5 . .
C7B C71B H71F 109.5 . .
H71D C71B H71F 109.5 . .
H71E C71B H71F 109.5 . .
C2C N1C N8C 108.3(6) . .
N3C C2C N1C 111.6(7) . .
N3C C2C H2C 124.2 . .
N1C C2C H2C 124.2 . .
C2C N3C C3AC 104.5(6) . .
C2C N3C Ag1 123.7(6) . .
C3AC N3C Ag1 131.6(4) . .
N8C C3AC N4C 115.6(7) . .
N8C C3AC N3C 111.8(6) . .
N4C C3AC N3C 132.5(6) . .
C3AC N4C C5C 121.4(6) . .
C3AC N4C Ag2 110.4(4) . .
C5C N4C Ag2 127.9(5) . .
C6C C5C N4C 123.1(7) . .
C6C C5C C51C 114.5(7) . .
N4C C5C C51C 122.4(6) . .
C7C C6C C5C 114.9(8) . .
C7C C6C H6C 122.5 . .
C5C C6C H6C 122.5 . .
C6C C7C C71C 119.8(9) . .
C6C C7C N8C 120.6(6) . .
C71C C7C N8C 119.5(9) . .
C3AC N8C N1C 103.7(6) . .
C3AC N8C C7C 124.3(7) . .
N1C N8C C7C 132.0(6) . .
C5C C51C H51G 109.5 . .
C5C C51C H51H 109.5 . .
H51G C51C H51H 109.5 . .
C5C C51C H51I 109.5 . .
H51G C51C H51I 109.5 . .
H51H C51C H51I 109.5 . .
C7C C71C H71G 109.5 . .
C7C C71C H71H 109.5 . .
H71G C71C H71H 109.5 . .
C7C C71C H71I 109.5 . .
H71G C71C H71I 109.5 . .
H71H C71C H71I 109.5 . .
N8D N1D C2D 102.2(6) . .
N3D C2D N1D 117.9(7) . .
N3D C2D H2D 121.0 . .
N1D C2D H2D 121.0 . .
C3AD N3D C2D 100.0(7) . .
C3AD N3D Ag3 129.2(5) . 3_567
C2D N3D Ag3 130.7(6) . 3_567
N4D C3AD N3D 128.1(7) . .
N4D C3AD N8D 119.6(7) . .
N3D C3AD N8D 112.3(6) . .
C3AD N4D C5D 115.8(7) . .
C3AD N4D Ag3 115.5(5) . .
C5D N4D Ag3 128.6(5) . .
N4D C5D C6D 125.1(7) . .
N4D C5D C51D 116.1(8) . .
C6D C5D C51D 118.7(8) . .
C7D C6D C5D 120.9(8) . .
C7D C6D H6D 119.6 . .
C5D C6D H6D 119.6 . .
C6D C7D N8D 112.2(7) . .
C6D C7D C71D 127.3(9) . .
N8D C7D C71D 120.5(8) . .
N1D N8D C3AD 107.5(6) . .
N1D N8D C7D 126.1(6) . .
C3AD N8D C7D 126.4(6) . .
C5D C51D H51J 109.5 . .
C5D C51D H51K 109.5 . .
H51J C51D H51K 109.5 . .
C5D C51D H51L 109.5 . .
H51J C51D H51L 109.5 . .
H51K C51D H51L 109.5 . .
C7D C71D H71J 109.5 . .
C7D C71D H71K 109.5 . .
H71J C71D H71K 109.5 . .
C7D C71D H71L 109.5 . .
H71J C71D H71L 109.5 . .
H71K C71D H71L 109.5 . .
F21' B1 F11 113.8(11) . .
F21' B1 F41' 112.9(11) . .
F11 B1 F41' 103.4(9) . .
F11 B1 F41 114.5(9) . .
F21' B1 F31' 110.1(11) . .
F11 B1 F31' 107.9(11) . .
F41' B1 F31' 108.2(11) . .
F11 B1 F31 110.1(10) . .
F41 B1 F31 106.0(9) . .
F11 B1 F21 108.4(8) . .
F41 B1 F21 109.5(10) . .
F31 B1 F21 108.3(10) . .
F32 B2 F42 114.7(9) . .
F32 B2 F12 108.2(9) . .
F42 B2 F12 103.8(8) . .
F32 B2 F22 102.2(9) . .
F42 B2 F22 111.8(8) . .
F12 B2 F22 116.5(7) . .
F43 B3 F13 112.0(10) . .
F43 B3 F23 107.2(10) . .
F13 B3 F23 111.2(11) . .
F43 B3 F33 114.0(12) . .
F13 B3 F33 104.5(11) . .
F23 B3 F33 107.9(11) . .
F13 B3' F23' 113.2(11) . .
F13 B3' F43 111.5(10) . .
F23' B3' F43 111.1(11) . .
F13 B3' F33' 108.5(11) . .
F23' B3' F33' 108.3(11) . .
F43 B3' F33' 103.6(10) . .
B3 F33 Ag3 115.9(10) . .
H11W O1W H12W 96(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N4A 2.167(5) .
Ag1 N3C 2.200(6) .
Ag1 N4B 2.379(6) .
Ag1 Ag2 3.0580(8) .
Ag2 N4C 2.139(5) .
Ag2 N3A 2.240(6) .
Ag2 N3B 2.336(6) .
Ag3 N3D 2.287(7) 3_567
Ag3 N4D 2.297(6) .
Ag3 F33 2.489(15) .
Ag3 Ag3 2.9409(12) 3_567
N1A C2A 1.358(11) .
N1A N8A 1.376(9) .
C2A N3A 1.280(9) .
C2A H2A 0.9500 .
N3A C3AA 1.429(10) .
C3AA N8A 1.293(8) .
C3AA N4A 1.319(9) .
N4A C5A 1.409(11) .
C5A C6A 1.364(11) .
C5A C51A 1.474(12) .
C6A C7A 1.321(12) .
C6A H6A 0.9500 .
C7A C71A 1.421(11) .
C7A N8A 1.443(11) .
C51A H51A 0.9800 .
C51A H51B 0.9800 .
C51A H51C 0.9800 .
C71A H71A 0.9800 .
C71A H71B 0.9800 .
C71A H71C 0.9800 .
N1B C2B 1.306(11) .
N1B N8B 1.391(10) .
C2B N3B 1.331(11) .
C2B H2B 0.9500 .
N3B C3AB 1.367(10) .
C3AB N4B 1.344(10) .
C3AB N8B 1.347(10) .
N4B C5B 1.358(11) .
C5B C6B 1.391(12) .
C5B C51B 1.502(14) .
C6B C7B 1.349(13) .
C6B H6B 0.9500 .
C7B N8B 1.401(11) .
C7B C71B 1.459(12) .
C51B H51D 0.9800 .
C51B H51E 0.9800 .
C51B H51F 0.9800 .
C71B H71D 0.9800 .
C71B H71E 0.9800 .
C71B H71F 0.9800 .
N1C C2C 1.335(11) .
N1C N8C 1.387(10) .
C2C N3C 1.269(9) .
C2C H2C 0.9500 .
N3C C3AC 1.404(10) .
C3AC N8C 1.303(9) .
C3AC N4C 1.322(9) .
N4C C5C 1.428(10) .
C5C C6C 1.342(10) .
C5C C51C 1.455(11) .
C6C C7C 1.334(12) .
C6C H6C 0.9500 .
C7C C71C 1.416(11) .
C7C N8C 1.432(11) .
C51C H51G 0.9800 .
C51C H51H 0.9800 .
C51C H51I 0.9800 .
C71C H71G 0.9800 .
C71C H71H 0.9800 .
C71C H71I 0.9800 .
N1D N8D 1.368(9) .
N1D C2D 1.396(12) .
C2D N3D 1.373(10) .
C2D H2D 0.9500 .
N3D C3AD 1.365(10) .
C3AD N4D 1.338(9) .
C3AD N8D 1.443(10) .
N4D C5D 1.392(10) .
C5D C6D 1.473(12) .
C5D C51D 1.491(12) .
C6D C7D 1.350(12) .
C6D H6D 0.9500 .
C7D N8D 1.453(11) .
C7D C71D 1.520(12) .
C51D H51J 0.9800 .
C51D H51K 0.9800 .
C51D H51L 0.9800 .
C71D H71J 0.9800 .
C71D H71K 0.9800 .
C71D H71L 0.9800 .
B1 F21' 1.293(13) .
B1 F11 1.314(11) .
B1 F41' 1.322(13) .
B1 F41 1.325(12) .
B1 F31' 1.335(14) .
B1 F31 1.353(13) .
B1 F21 1.355(12) .
B2 F32 1.285(11) .
B2 F42 1.344(12) .
B2 F12 1.388(11) .
B2 F22 1.403(11) .
B3 F43 1.320(12) .
B3 F13 1.323(12) .
B3 F23 1.328(13) .
B3 F33 1.352(13) .
B3' F13 1.311(12) .
B3' F23' 1.335(12) .
B3' F43 1.339(12) .
B3' F33' 1.348(13) .
O1W H11W 0.823(10) .
O1W H12W 0.824(10) .
