#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:33:25 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179116 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/78/4307870.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_4307870
loop_
_publ_author_name
'H. V. Rasika Dias'
'Chammi S. Palehepitiya Gamage'
'Jeremy Keltner'
'Himashinie V. K. Diyabalanage'
'Ivan Omari'
'Yvonne Eyobo'
'Nadeeka R. Dias'
'Nathan Roehr'
'Lesly McKinney'
'Theresa Poth'
_publ_contact_author_address
;Department of Chemistry and Biochemistry
The University of Texas at Arlington
Arlington, Texas 76019-0065, USA
;
_publ_contact_author_email       dias@uta.edu
_publ_contact_author_fax         817-272-3808
_publ_contact_author_name        'Prof. H. V. R. Dias'
_publ_contact_author_phone       817-272-3813
_publ_section_title
;
Trinuclear Silver(I) Complexes of Fluorinated Pyrazolates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2979
_journal_page_last               2987
_journal_paper_doi               10.1021/ic062374k
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C37 H38 Ag3 F21 N6'
_chemical_formula_weight         1289.34
_chemical_name_common            {[3-CF3,5-tBuPz]Ag}3-tol
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 107.197(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.4624(8)
_cell_length_b                   25.0706(13)
_cell_length_c                   12.3999(6)
_cell_measurement_reflns_used    8021
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.37
_cell_volume                     4591.9(4)
_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 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0190
_diffrn_reflns_av_sigmaI/netI    0.0169
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            42285
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    1.388
_exptl_absorpt_correction_T_max  0.8853
_exptl_absorpt_correction_T_min  0.6891
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.865
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needles
_exptl_crystal_F_000             2528
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.696
_refine_diff_density_min         -0.411
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     614
_refine_ls_number_reflns         11241
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0248
_refine_ls_R_factor_gt           0.0214
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0274P)²+2.6781P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0517
_refine_ls_wR_factor_ref         0.0537
_reflns_number_gt                10206
_reflns_number_total             11241
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062374ksi20070206_075347_5.cif
_cod_data_source_block           dias188a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4307870
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.227314(8) 0.700504(5) 0.019179(11) 0.01863(3) Uani 1 1 d . . .
Ag2 Ag 0.264369(8) 0.834298(5) 0.040404(11) 0.01862(3) Uani 1 1 d . . .
Ag3 Ag 0.441570(8) 0.748309(5) 0.077739(11) 0.01817(3) Uani 1 1 d . . .
N1 N 0.11626(10) 0.75251(6) -0.01330(12) 0.0199(3) Uani 1 1 d . . .
N2 N 0.13030(10) 0.80632(6) -0.00780(12) 0.0197(3) Uani 1 1 d . . .
N3 N 0.39698(9) 0.86453(6) 0.09496(12) 0.0181(3) Uani 1 1 d . . .
N4 N 0.46819(9) 0.83044(5) 0.10710(12) 0.0182(3) Uani 1 1 d . . .
N5 N 0.42022(10) 0.66546(5) 0.05525(12) 0.0181(3) Uani 1 1 d . . .
N6 N 0.33440(9) 0.64628(6) 0.03749(12) 0.0181(3) Uani 1 1 d . . .
C1 C 0.02611(12) 0.74288(7) -0.04467(15) 0.0225(3) Uani 1 1 d . . .
C2 C -0.01917(12) 0.79157(8) -0.05911(17) 0.0275(4) Uani 1 1 d . . .
H2 H -0.0827 0.7973 -0.0809 0.033 Uiso 1 1 calc R . .
C3 C 0.04834(12) 0.82966(7) -0.03483(15) 0.0223(3) Uani 1 1 d . . .
C4 C -0.01264(12) 0.68692(8) -0.06194(17) 0.0278(4) Uani 1 1 d . . .
C5 C 0.01054(14) 0.66118(8) -0.16206(18) 0.0327(4) Uani 1 1 d . . .
H5A H -0.0168 0.6820 -0.2305 0.049 Uiso 1 1 calc R . .
H5B H -0.0132 0.6247 -0.1726 0.049 Uiso 1 1 calc R . .
H5C H 0.0764 0.6604 -0.1470 0.049 Uiso 1 1 calc R . .
C6 C 0.02520(14) 0.65370(8) 0.04570(18) 0.0322(4) Uani 1 1 d . . .
H6A H 0.0913 0.6520 0.0646 0.048 Uiso 1 1 calc R . .
H6B H 0.0002 0.6175 0.0332 0.048 Uiso 1 1 calc R . .
H6C H 0.0082 0.6703 0.1081 0.048 Uiso 1 1 calc R . .
C7 C -0.11596(13) 0.68995(9) -0.0879(2) 0.0383(5) Uani 1 1 d . . .
H7A H -0.1311 0.7064 -0.0240 0.058 Uiso 1 1 calc R . .
H7B H -0.1415 0.6539 -0.1003 0.058 Uiso 1 1 calc R . .
H7C H -0.1413 0.7115 -0.1558 0.058 Uiso 1 1 calc R . .
C8 C 0.03591(12) 0.88839(7) -0.03986(16) 0.0246(4) Uani 1 1 d . . .
C9 C 0.01600(13) 0.91172(8) -0.16022(17) 0.0283(4) Uani 1 1 d . . .
C10 C -0.00070(16) 0.97224(9) -0.1752(2) 0.0377(5) Uani 1 1 d . . .
C11 C 0.42910(12) 0.91443(7) 0.12171(14) 0.0200(3) Uani 1 1 d . . .
C12 C 0.52297(12) 0.91296(7) 0.15225(15) 0.0227(3) Uani 1 1 d . . .
H12 H 0.5638 0.9420 0.1748 0.027 Uiso 1 1 calc R . .
C13 C 0.54394(11) 0.85989(7) 0.14259(14) 0.0202(3) Uani 1 1 d . . .
C14 C 0.36774(12) 0.96193(7) 0.11794(15) 0.0229(3) Uani 1 1 d . . .
C15 C 0.42590(14) 1.01184(8) 0.15675(19) 0.0332(4) Uani 1 1 d . . .
H15A H 0.4659 1.0063 0.2336 0.050 Uiso 1 1 calc R . .
H15B H 0.3865 1.0426 0.1559 0.050 Uiso 1 1 calc R . .
H15C H 0.4624 1.0185 0.1057 0.050 Uiso 1 1 calc R . .
C16 C 0.30654(14) 0.97091(8) -0.00322(16) 0.0292(4) Uani 1 1 d . . .
H16A H 0.3441 0.9773 -0.0532 0.044 Uiso 1 1 calc R . .
H16B H 0.2676 1.0019 -0.0048 0.044 Uiso 1 1 calc R . .
H16C H 0.2689 0.9392 -0.0289 0.044 Uiso 1 1 calc R . .
C17 C 0.30999(14) 0.95234(8) 0.19784(17) 0.0291(4) Uani 1 1 d . . .
H17A H 0.2725 0.9205 0.1736 0.044 Uiso 1 1 calc R . .
H17B H 0.2709 0.9833 0.1960 0.044 Uiso 1 1 calc R . .
H17C H 0.3497 0.9471 0.2749 0.044 Uiso 1 1 calc R . .
C18 C 0.63581(12) 0.83735(7) 0.15952(16) 0.0239(4) Uani 1 1 d . . .
C19 C 0.66555(13) 0.83790(8) 0.05095(17) 0.0287(4) Uani 1 1 d . . .
C20 C 0.76334(15) 0.82121(12) 0.0601(2) 0.0444(6) Uani 1 1 d . . .
C21 C 0.47617(12) 0.62468(7) 0.05146(14) 0.0201(3) Uani 1 1 d . . .
C22 C 0.42629(12) 0.57767(7) 0.03102(15) 0.0216(3) Uani 1 1 d . . .
H22 H 0.4477 0.5427 0.0244 0.026 Uiso 1 1 calc R . .
C23 C 0.33816(12) 0.59321(7) 0.02233(14) 0.0199(3) Uani 1 1 d . . .
C24 C 0.57653(12) 0.63290(7) 0.06791(16) 0.0243(4) Uani 1 1 d . . .
C25 C 0.62185(13) 0.65530(8) 0.18664(18) 0.0305(4) Uani 1 1 d . . .
H25A H 0.5936 0.6894 0.1955 0.046 Uiso 1 1 calc R . .
H25B H 0.6865 0.6608 0.1968 0.046 Uiso 1 1 calc R . .
H25C H 0.6143 0.6300 0.2434 0.046 Uiso 1 1 calc R . .
C26 C 0.59035(14) 0.67113(8) -0.02213(18) 0.0320(4) Uani 1 1 d . . .
H26A H 0.5601 0.6568 -0.0973 0.048 Uiso 1 1 calc R . .
H26B H 0.6552 0.6750 -0.0127 0.048 Uiso 1 1 calc R . .
H26C H 0.5646 0.7061 -0.0138 0.048 Uiso 1 1 calc R . .
C27 C 0.62049(14) 0.57920(8) 0.0559(2) 0.0340(5) Uani 1 1 d . . .
H27A H 0.6118 0.5542 0.1125 0.051 Uiso 1 1 calc R . .
H27B H 0.6854 0.5844 0.0673 0.051 Uiso 1 1 calc R . .
H27C H 0.5924 0.5648 -0.0198 0.051 Uiso 1 1 calc R . .
C28 C 0.25723(12) 0.55813(7) 0.00246(15) 0.0219(3) Uani 1 1 d . . .
C29 C 0.24745(12) 0.53041(7) 0.10965(16) 0.0247(4) Uani 1 1 d . . .
C30 C 0.17226(14) 0.48835(8) 0.09390(19) 0.0333(4) Uani 1 1 d . . .
C31 C 0.35764(13) 0.81212(8) 0.80926(15) 0.0263(4) Uani 1 1 d . . .
C32 C 0.39982(13) 0.76274(8) 0.81229(15) 0.0272(4) Uani 1 1 d . . .
H32 H 0.4635 0.7614 0.8251 0.033 Uiso 1 1 calc R . .
C33 C 0.35055(15) 0.71545(9) 0.79698(15) 0.0322(4) Uani 1 1 d . . .
H33 H 0.3806 0.6822 0.7994 0.039 Uiso 1 1 calc R . .
C34 C 0.25760(15) 0.71678(9) 0.77817(16) 0.0343(4) Uani 1 1 d . . .
H34 H 0.2237 0.6846 0.7678 0.041 Uiso 1 1 calc R . .
C35 C 0.21450(14) 0.76561(9) 0.77465(16) 0.0336(4) Uani 1 1 d . . .
H35 H 0.1508 0.7668 0.7612 0.040 Uiso 1 1 calc R . .
C36 C 0.26386(14) 0.81264(8) 0.79059(15) 0.0290(4) Uani 1 1 d . . .
H36 H 0.2335 0.8457 0.7888 0.035 Uiso 1 1 calc R . .
C37 C 0.41133(14) 0.86300(8) 0.82498(16) 0.0306(4) Uani 1 1 d . . .
H37A H 0.4659 0.8592 0.8894 0.046 Uiso 1 1 calc R . .
H37B H 0.3744 0.8924 0.8392 0.046 Uiso 1 1 calc R . .
H37C H 0.4287 0.8705 0.7566 0.046 Uiso 1 1 calc R . .
F1 F -0.03536(8) 0.90199(5) -0.00207(10) 0.0332(3) Uani 1 1 d . . .
F2 F 0.10990(8) 0.91429(4) 0.02651(10) 0.0316(2) Uani 1 1 d . . .
F3 F -0.05734(9) 0.88706(5) -0.22782(11) 0.0397(3) Uani 1 1 d . . .
F4 F 0.08756(8) 0.90049(5) -0.19798(11) 0.0369(3) Uani 1 1 d . . .
F5 F -0.07148(11) 0.98680(6) -0.14324(14) 0.0576(4) Uani 1 1 d . . .
F6 F 0.07047(11) 0.99958(5) -0.11658(13) 0.0530(4) Uani 1 1 d . . .
F7 F -0.01720(10) 0.98465(6) -0.28373(12) 0.0494(4) Uani 1 1 d . . .
F8 F 0.64233(8) 0.78640(5) 0.19751(10) 0.0326(3) Uani 1 1 d . . .
F9 F 0.69775(7) 0.86659(5) 0.23787(10) 0.0337(3) Uani 1 1 d . . .
F10 F 0.61031(8) 0.80513(5) -0.02473(10) 0.0358(3) Uani 1 1 d . . .
F11 F 0.65501(8) 0.88772(5) 0.00811(11) 0.0382(3) Uani 1 1 d . . .
F12 F 0.78145(10) 0.77323(7) 0.10588(14) 0.0591(4) Uani 1 1 d . . .
F13 F 0.82206(9) 0.85563(8) 0.12142(14) 0.0619(4) Uani 1 1 d . . .
F14 F 0.77246(10) 0.81986(8) -0.04334(13) 0.0632(5) Uani 1 1 d . . .
F15 F 0.26148(8) 0.51847(4) -0.07089(10) 0.0296(2) Uani 1 1 d . . .
F16 F 0.17948(7) 0.58521(4) -0.04443(10) 0.0307(2) Uani 1 1 d . . .
F17 F 0.32632(8) 0.50601(5) 0.16278(11) 0.0373(3) Uani 1 1 d . . .
F18 F 0.23207(8) 0.56837(5) 0.17850(10) 0.0358(3) Uani 1 1 d . . .
F19 F 0.18668(12) 0.44684(5) 0.03587(15) 0.0579(4) Uani 1 1 d . . .
F20 F 0.17053(9) 0.47095(6) 0.19453(12) 0.0464(3) Uani 1 1 d . . .
F21 F 0.09259(8) 0.50880(6) 0.04139(13) 0.0500(4) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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
N1 Ag1 N6 175.17(6) . . ?
N2 Ag2 N3 177.15(5) . . ?
N5 Ag3 N4 177.27(6) . . ?
C1 N1 N2 109.01(14) . . ?
C1 N1 Ag1 131.23(12) . . ?
N2 N1 Ag1 119.71(11) . . ?
C3 N2 N1 107.05(14) . . ?
C3 N2 Ag2 134.70(12) . . ?
N1 N2 Ag2 118.24(10) . . ?
C11 N3 N4 109.05(13) . . ?
C11 N3 Ag2 131.76(12) . . ?
N4 N3 Ag2 119.18(10) . . ?
C13 N4 N3 106.76(13) . . ?
C13 N4 Ag3 134.36(12) . . ?
N3 N4 Ag3 118.79(10) . . ?
C21 N5 N6 109.27(14) . . ?
C21 N5 Ag3 132.38(12) . . ?
N6 N5 Ag3 118.32(10) . . ?
C23 N6 N5 106.86(13) . . ?
C23 N6 Ag1 133.52(12) . . ?
N5 N6 Ag1 119.09(10) . . ?
N1 C1 C2 108.45(16) . . ?
N1 C1 C4 122.43(16) . . ?
C2 C1 C4 129.10(16) . . ?
C3 C2 C1 105.03(16) . . ?
C3 C2 H2 127.5 . . ?
C1 C2 H2 127.5 . . ?
N2 C3 C2 110.44(15) . . ?
N2 C3 C8 122.88(16) . . ?
C2 C3 C8 126.66(16) . . ?
C1 C4 C5 109.07(16) . . ?
C1 C4 C6 110.26(16) . . ?
C5 C4 C6 110.83(16) . . ?
C1 C4 C7 109.09(16) . . ?
C5 C4 C7 109.23(17) . . ?
C6 C4 C7 108.33(17) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
F2 C8 F1 107.08(14) . . ?
F2 C8 C3 111.89(15) . . ?
F1 C8 C3 109.98(15) . . ?
F2 C8 C9 107.16(15) . . ?
F1 C8 C9 106.67(14) . . ?
C3 C8 C9 113.71(15) . . ?
F3 C9 F4 108.30(16) . . ?
F3 C9 C10 107.29(17) . . ?
F4 C9 C10 106.76(16) . . ?
F3 C9 C8 108.56(16) . . ?
F4 C9 C8 107.79(15) . . ?
C10 C9 C8 117.82(16) . . ?
F6 C10 F5 108.8(2) . . ?
F6 C10 F7 108.37(19) . . ?
F5 C10 F7 108.09(18) . . ?
F6 C10 C9 111.29(18) . . ?
F5 C10 C9 111.12(18) . . ?
F7 C10 C9 109.09(18) . . ?
N3 C11 C12 108.74(15) . . ?
N3 C11 C14 122.62(15) . . ?
C12 C11 C14 128.63(16) . . ?
C13 C12 C11 104.77(15) . . ?
C13 C12 H12 127.6 . . ?
C11 C12 H12 127.6 . . ?
N4 C13 C12 110.67(15) . . ?
N4 C13 C18 122.83(15) . . ?
C12 C13 C18 126.35(16) . . ?
C11 C14 C15 109.14(15) . . ?
C11 C14 C17 109.59(15) . . ?
C15 C14 C17 108.92(16) . . ?
C11 C14 C16 110.13(14) . . ?
C15 C14 C16 108.78(16) . . ?
C17 C14 C16 110.25(16) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
F8 C18 F9 107.20(14) . . ?
F8 C18 C13 112.19(15) . . ?
F9 C18 C13 109.77(15) . . ?
F8 C18 C19 107.48(15) . . ?
F9 C18 C19 106.82(15) . . ?
C13 C18 C19 113.08(15) . . ?
F10 C19 F11 108.23(16) . . ?
F10 C19 C20 107.02(18) . . ?
F11 C19 C20 106.41(17) . . ?
F10 C19 C18 108.11(15) . . ?
F11 C19 C18 108.59(16) . . ?
C20 C19 C18 118.13(17) . . ?
F13 C20 F12 109.0(2) . . ?
F13 C20 F14 108.7(2) . . ?
F12 C20 F14 108.7(2) . . ?
F13 C20 C19 111.0(2) . . ?
F12 C20 C19 110.91(19) . . ?
F14 C20 C19 108.47(18) . . ?
N5 C21 C22 108.78(15) . . ?
N5 C21 C24 122.21(15) . . ?
C22 C21 C24 129.02(15) . . ?
C21 C22 C23 104.76(15) . . ?
C21 C22 H22 127.6 . . ?
C23 C22 H22 127.6 . . ?
N6 C23 C22 110.34(15) . . ?
N6 C23 C28 122.51(15) . . ?
C22 C23 C28 127.13(15) . . ?
C21 C24 C26 110.12(15) . . ?
C21 C24 C27 109.40(15) . . ?
C26 C24 C27 108.44(16) . . ?
C21 C24 C25 109.67(15) . . ?
C26 C24 C25 110.29(16) . . ?
C27 C24 C25 108.89(16) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
F16 C28 F15 106.95(14) . . ?
F16 C28 C23 111.79(14) . . ?
F15 C28 C23 109.72(14) . . ?
F16 C28 C29 107.13(14) . . ?
F15 C28 C29 106.39(14) . . ?
C23 C28 C29 114.46(15) . . ?
F18 C29 F17 108.33(16) . . ?
F18 C29 C30 107.24(15) . . ?
F17 C29 C30 106.93(15) . . ?
F18 C29 C28 107.95(15) . . ?
F17 C29 C28 108.63(14) . . ?
C30 C29 C28 117.46(16) . . ?
F21 C30 F19 108.76(19) . . ?
F21 C30 F20 108.47(17) . . ?
F19 C30 F20 107.82(18) . . ?
F21 C30 C29 110.95(17) . . ?
F19 C30 C29 111.47(16) . . ?
F20 C30 C29 109.27(17) . . ?
C32 C31 C36 117.78(19) . . ?
C32 C31 C37 120.92(18) . . ?
C36 C31 C37 121.30(18) . . ?
C33 C32 C31 121.32(19) . . ?
C33 C32 H32 119.3 . . ?
C31 C32 H32 119.3 . . ?
C34 C33 C32 120.1(2) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C35 119.4(2) . . ?
C33 C34 H34 120.3 . . ?
C35 C34 H34 120.3 . . ?
C36 C35 C34 120.4(2) . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
C35 C36 C31 121.04(19) . . ?
C35 C36 H36 119.5 . . ?
C31 C36 H36 119.5 . . ?
C31 C37 H37A 109.5 . . ?
C31 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C31 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
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
Ag1 N1 2.0981(14) . ?
Ag1 N6 2.1021(14) . ?
Ag2 N2 2.1009(14) . ?
Ag2 N3 2.1015(14) . ?
Ag3 N5 2.1088(14) . ?
Ag3 N4 2.1102(14) . ?
N1 C1 1.354(2) . ?
N1 N2 1.3649(19) . ?
N2 C3 1.345(2) . ?
N3 C11 1.351(2) . ?
N3 N4 1.3665(19) . ?
N4 C13 1.344(2) . ?
N5 C21 1.349(2) . ?
N5 N6 1.367(2) . ?
N6 C23 1.347(2) . ?
C1 C2 1.392(3) . ?
C1 C4 1.516(3) . ?
C2 C3 1.381(3) . ?
C2 H2 0.9500 . ?
C3 C8 1.484(2) . ?
C4 C5 1.533(3) . ?
C4 C6 1.535(3) . ?
C4 C7 1.536(3) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 F2 1.361(2) . ?
C8 F1 1.362(2) . ?
C8 C9 1.547(3) . ?
C9 F3 1.345(2) . ?
C9 F4 1.352(2) . ?
C9 C10 1.541(3) . ?
C10 F6 1.318(3) . ?
C10 F5 1.321(3) . ?
C10 F7 1.331(3) . ?
C11 C12 1.388(2) . ?
C11 C14 1.515(2) . ?
C12 C13 1.383(2) . ?
C12 H12 0.9500 . ?
C13 C18 1.485(2) . ?
C14 C15 1.533(3) . ?
C14 C17 1.536(3) . ?
C14 C16 1.537(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 F8 1.355(2) . ?
C18 F9 1.360(2) . ?
C18 C19 1.546(3) . ?
C19 F10 1.346(2) . ?
C19 F11 1.348(2) . ?
C19 C20 1.540(3) . ?
C20 F13 1.319(3) . ?
C20 F12 1.324(3) . ?
C20 F14 1.332(3) . ?
C21 C22 1.390(2) . ?
C21 C24 1.518(2) . ?
C22 C23 1.391(2) . ?
C22 H22 0.9500 . ?
C23 C28 1.489(2) . ?
C24 C26 1.534(3) . ?
C24 C27 1.535(2) . ?
C24 C25 1.537(3) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 F16 1.353(2) . ?
C28 F15 1.362(2) . ?
C28 C29 1.546(3) . ?
C29 F18 1.346(2) . ?
C29 F17 1.349(2) . ?
C29 C30 1.539(3) . ?
C30 F21 1.315(3) . ?
C30 F19 1.321(2) . ?
C30 F20 1.330(3) . ?
C31 C32 1.395(3) . ?
C31 C36 1.399(3) . ?
C31 C37 1.503(3) . ?
C32 C33 1.392(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.387(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.388(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.386(3) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
