#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:20:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179719 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/21/7002159.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_7002159
loop_
_publ_author_name
'Kou, Xiaodi'
'Dias, H. V. Rasika'
_publ_section_title
;
 Carbon monoxide and ethylene complexes of copper and silver supported
 by a highly fluorinated tris(triazolyl)borate
;
_journal_issue                   36
_journal_name_full               'Dalton Transactions'
_journal_page_first              7529
_journal_page_last               7536
_journal_paper_doi               10.1039/b910805j
_journal_year                    2009
_chemical_formula_sum            'C14 H5 Ag B F18 N9'
_chemical_formula_weight         759.95
_chemical_name_common            (HB(3,5-(CF3)2Tz)3)AgC2H4
_chemical_name_systematic
;
?
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   37.4960(16)
_cell_length_b                   8.7926(4)
_cell_length_c                   14.6125(6)
_cell_measurement_reflns_used    7672
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.56
_cell_volume                     4817.6(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 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0383
_diffrn_reflns_av_sigmaI/netI    0.0348
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            37697
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    1.002
_exptl_absorpt_correction_T_max  0.9706
_exptl_absorpt_correction_T_min  0.7667
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.096
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.941
_refine_diff_density_min         -0.376
_refine_diff_density_rms         0.110
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.093(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     808
_refine_ls_number_reflns         9441
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0660P)²+3.5786P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0978
_refine_ls_wR_factor_ref         0.1002
_reflns_number_gt                8900
_reflns_number_total             9441
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b910805j.txt
_cod_data_source_block           dias611a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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_original_sg_symbol_H-M      Pna2(1)
_cod_database_code               7002159
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, 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 1.023653(8) 1.10768(3) 0.97504(2) 0.02682(9) Uani 1 1 d . . .
Ag2 Ag 0.224223(9) 0.35861(4) 0.99118(3) 0.03481(10) Uani 1 1 d . . .
N1 N 0.94784(10) 0.9833(4) 1.0527(3) 0.0197(7) Uani 1 1 d . . .
N2 N 0.97509(9) 1.0806(4) 1.0749(3) 0.0211(8) Uani 1 1 d . . .
N3 N 0.93279(11) 1.0950(4) 1.1839(3) 0.0288(9) Uani 1 1 d . . .
N4 N 0.98192(8) 0.7722(3) 0.9748(3) 0.0163(6) Uani 1 1 d . . .
N5 N 1.01551(8) 0.8278(3) 0.9798(3) 0.0226(6) Uani 1 1 d . . .
N6 N 1.01800(8) 0.5724(4) 0.9828(3) 0.0225(7) Uani 1 1 d . . .
N7 N 0.95156(9) 0.9757(4) 0.8792(2) 0.0185(7) Uani 1 1 d . . .
N8 N 0.97772(10) 1.0813(4) 0.8677(3) 0.0211(8) Uani 1 1 d . . .
N9 N 0.94269(12) 1.0793(4) 0.7423(3) 0.0301(9) Uani 1 1 d . . .
N10 N 0.29494(9) 0.2348(4) 1.0956(2) 0.0202(7) Uani 1 1 d . . .
N11 N 0.26789(11) 0.3362(4) 1.1066(3) 0.0248(8) Uani 1 1 d . . .
N12 N 0.30307(12) 0.3478(4) 1.2306(3) 0.0316(9) Uani 1 1 d . . .
N13 N 0.26673(8) 0.0260(4) 1.0009(2) 0.0190(7) Uani 1 1 d . . .
N14 N 0.23309(8) 0.0804(4) 0.9923(3) 0.0246(7) Uani 1 1 d . . .
N15 N 0.23160(9) -0.1755(4) 0.9921(3) 0.0271(8) Uani 1 1 d . . .
N16 N 0.30151(9) 0.2386(4) 0.9216(2) 0.0198(7) Uani 1 1 d . . .
N17 N 0.27450(10) 0.3344(4) 0.8990(2) 0.0233(8) Uani 1 1 d . . .
N18 N 0.31848(12) 0.3481(4) 0.7937(3) 0.0339(9) Uani 1 1 d . . .
B1 B 0.94891(11) 0.8779(4) 0.9677(4) 0.0191(8) Uani 1 1 d . . .
B2 B 0.29936(12) 0.1344(5) 1.0085(3) 0.0194(9) Uani 1 1 d . . .
C1 C 0.96441(14) 1.1433(5) 1.1523(3) 0.0254(10) Uani 1 1 d . . .
C2 C 0.92284(12) 0.9963(5) 1.1201(3) 0.0262(10) Uani 1 1 d . . .
C3 C 0.98506(15) 1.2654(6) 1.2002(3) 0.0301(11) Uani 1 1 d . . .
C4 C 0.88786(14) 0.9122(6) 1.1223(4) 0.0380(12) Uani 1 1 d . . .
C5 C 1.03556(10) 0.7042(4) 0.9843(3) 0.0236(8) Uani 1 1 d . . .
C6 C 0.98449(10) 0.6187(4) 0.9768(4) 0.0193(7) Uani 1 1 d . . .
C7 C 1.07564(11) 0.7124(5) 0.9896(4) 0.0338(10) Uani 1 1 d . . .
C8 C 0.95336(10) 0.5134(4) 0.9691(3) 0.0223(8) Uani 1 1 d . . .
C9 C 0.97081(14) 1.1384(5) 0.7861(3) 0.0252(10) Uani 1 1 d . . .
C10 C 0.93110(12) 0.9811(5) 0.8033(3) 0.0243(9) Uani 1 1 d . . .
C11 C 0.99235(15) 1.2652(5) 0.7460(3) 0.0288(11) Uani 1 1 d . . .
C12 C 0.89878(15) 0.8816(6) 0.7872(4) 0.0413(13) Uani 1 1 d . . .
C13 C 1.07606(15) 1.2232(7) 1.0131(5) 0.0510(15) Uani 1 1 d U . .
H13A H 1.0741 1.3281 1.0373 0.061 Uiso 1 1 calc R . .
H13B H 1.0935 1.1600 1.0470 0.061 Uiso 1 1 calc R . .
C14 C 1.07655(16) 1.2098(9) 0.9220(5) 0.0606(19) Uani 1 1 d U . .
H14A H 1.0940 1.1370 0.8963 0.073 Uiso 1 1 calc R . .
H14B H 1.0747 1.3054 0.8866 0.073 Uiso 1 1 calc R . .
C15 C 0.27394(13) 0.3985(5) 1.1873(3) 0.0297(10) Uani 1 1 d . . .
C16 C 0.31587(12) 0.2466(5) 1.1715(3) 0.0274(10) Uani 1 1 d . . .
C17 C 0.25076(18) 0.5176(6) 1.2269(4) 0.0432(15) Uani 1 1 d . . .
C18 C 0.34872(14) 0.1562(6) 1.1881(3) 0.0365(11) Uani 1 1 d . . .
C19 C 0.21320(11) -0.0424(5) 0.9860(4) 0.0331(10) Uani 1 1 d . . .
C20 C 0.26436(11) -0.1264(4) 0.9997(3) 0.0201(8) Uani 1 1 d . . .
C21 C 0.17353(12) -0.0373(6) 0.9805(6) 0.0507(15) Uani 1 1 d . . .
C22 C 0.29596(11) -0.2316(4) 1.0086(3) 0.0237(9) Uani 1 1 d . . .
C23 C 0.28698(14) 0.3959(5) 0.8211(3) 0.0298(10) Uani 1 1 d . A .
C24 C 0.32675(13) 0.2487(5) 0.8579(3) 0.0285(10) Uani 1 1 d . . .
C25 C 0.26615(16) 0.5136(6) 0.7705(4) 0.0409(13) Uani 1 1 d D . .
C26 C 0.36249(16) 0.1658(6) 0.8587(4) 0.0391(12) Uani 1 1 d . . .
C27 C 0.1736(2) 0.4650(11) 0.9362(8) 0.090(3) Uani 1 1 d U . .
H27A H 0.1759 0.5698 0.9121 0.108 Uiso 1 1 calc R . .
H27B H 0.1586 0.3989 0.8970 0.108 Uiso 1 1 calc R . .
C28 C 0.1684(2) 0.4528(13) 1.0256(9) 0.093(3) Uani 1 1 d U . .
H28A H 0.1503 0.3777 1.0456 0.112 Uiso 1 1 calc R . .
H28B H 0.1676 0.5491 1.0607 0.112 Uiso 1 1 calc R . .
F1 F 0.99330(14) 1.2271(5) 1.2825(2) 0.0722(13) Uani 1 1 d . . .
F2 F 1.01573(12) 1.2944(5) 1.1573(3) 0.0731(13) Uani 1 1 d . . .
F3 F 0.96843(13) 1.3929(4) 1.2009(4) 0.0831(17) Uani 1 1 d . . .
F4 F 0.87077(9) 0.9474(4) 1.1983(3) 0.0587(10) Uani 1 1 d . . .
F5 F 0.89293(8) 0.7631(3) 1.1221(2) 0.0481(9) Uani 1 1 d . . .
F6 F 0.86810(8) 0.9486(4) 1.0508(3) 0.0514(9) Uani 1 1 d . . .
F7 F 1.08674(7) 0.8521(3) 0.9937(5) 0.0861(17) Uani 1 1 d . . .
F8 F 1.08770(9) 0.6391(5) 1.0631(3) 0.0631(11) Uani 1 1 d . . .
F9 F 1.09037(9) 0.6432(5) 0.9187(3) 0.0579(10) Uani 1 1 d . . .
F10 F 0.96405(6) 0.3688(2) 0.9802(2) 0.0303(5) Uani 1 1 d . . .
F11 F 0.93832(8) 0.5216(3) 0.8870(2) 0.0388(7) Uani 1 1 d . . .
F12 F 0.92867(7) 0.5406(3) 1.0320(2) 0.0362(7) Uani 1 1 d . . .
F13 F 1.00761(10) 1.3508(3) 0.80933(19) 0.0411(7) Uani 1 1 d . . .
F14 F 1.01722(11) 1.2163(4) 0.6896(3) 0.0617(11) Uani 1 1 d . . .
F15 F 0.97191(11) 1.3583(4) 0.6955(3) 0.0636(11) Uani 1 1 d . . .
F16 F 0.88314(9) 0.9197(4) 0.7091(2) 0.0472(8) Uani 1 1 d . . .
F17 F 0.87518(8) 0.8983(5) 0.8541(3) 0.0549(10) Uani 1 1 d . . .
F18 F 0.90783(9) 0.7353(4) 0.7820(3) 0.0550(10) Uani 1 1 d . . .
F19 F 0.23098(15) 0.5847(6) 1.1661(2) 0.0913(19) Uani 1 1 d . . .
F20 F 0.27089(15) 0.6306(4) 1.2635(4) 0.0880(17) Uani 1 1 d . . .
F21 F 0.23090(11) 0.4689(4) 1.2950(3) 0.0592(10) Uani 1 1 d . . .
F22 F 0.36357(9) 0.1969(4) 1.2673(2) 0.0500(8) Uani 1 1 d . . .
F23 F 0.34203(9) 0.0076(3) 1.1917(2) 0.0494(8) Uani 1 1 d . . .
F24 F 0.37274(8) 0.1793(4) 1.1227(3) 0.0493(9) Uani 1 1 d . . .
F25 F 0.16385(10) 0.0670(6) 0.9128(4) 0.0913(16) Uani 1 1 d . . .
F26 F 0.15899(10) 0.0062(11) 1.0508(3) 0.139(3) Uani 1 1 d . . .
F27 F 0.16001(8) -0.1571(4) 0.9430(3) 0.0638(11) Uani 1 1 d . . .
F28 F 0.28517(8) -0.3757(3) 1.0030(3) 0.0397(8) Uani 1 1 d . . .
F29 F 0.31954(7) -0.2097(3) 0.9443(2) 0.0414(7) Uani 1 1 d . . .
F30 F 0.31205(8) -0.2148(3) 1.0889(2) 0.0406(7) Uani 1 1 d . . .
F31A F 0.2477(3) 0.6049(10) 0.8222(5) 0.070(3) Uani 0.60 1 d PD A 1
F32A F 0.2479(4) 0.4582(15) 0.7050(9) 0.079(5) Uani 0.60 1 d PD A 1
F33A F 0.2891(2) 0.6100(9) 0.7256(7) 0.069(3) Uani 0.60 1 d PD A 1
F31B F 0.2336(4) 0.5251(18) 0.8069(12) 0.097(6) Uani 0.40 1 d PD A 2
F32B F 0.2549(10) 0.471(3) 0.6916(13) 0.150(15) Uani 0.40 1 d PD A 2
F33B F 0.2784(4) 0.6448(11) 0.7720(11) 0.071(5) Uani 0.40 1 d PD A 2
F34 F 0.38009(10) 0.1972(5) 0.7835(3) 0.0647(11) Uani 1 1 d . . .
F35 F 0.35785(9) 0.0174(3) 0.8632(3) 0.0488(8) Uani 1 1 d . . .
F36 F 0.38171(8) 0.2095(4) 0.9292(3) 0.0542(9) Uani 1 1 d . . .
H2 H 0.3252(15) 0.072(6) 1.002(4) 0.050 Uiso 1 1 d . . .
H1 H 0.9260(13) 0.805(5) 0.962(3) 0.030 Uiso 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'
B B 0.0013 0.0007 '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
C13 Ag1 C14 33.8(2) . . ?
C13 Ag1 N8 147.3(2) . . ?
C14 Ag1 N8 116.5(2) . . ?
C13 Ag1 N2 124.2(2) . . ?
C14 Ag1 N2 156.1(2) . . ?
N8 Ag1 N2 80.53(11) . . ?
C13 Ag1 N5 122.76(18) . . ?
C14 Ag1 N5 120.0(2) . . ?
N8 Ag1 N5 80.20(13) . . ?
N2 Ag1 N5 77.65(12) . . ?
C27 Ag2 C28 33.7(3) . . ?
C27 Ag2 N17 120.8(3) . . ?
C28 Ag2 N17 153.4(3) . . ?
C27 Ag2 N11 150.5(3) . . ?
C28 Ag2 N11 120.3(3) . . ?
N17 Ag2 N11 81.00(13) . . ?
C27 Ag2 N14 121.7(3) . . ?
C28 Ag2 N14 118.5(3) . . ?
N17 Ag2 N14 78.71(12) . . ?
N11 Ag2 N14 79.57(12) . . ?
C2 N1 N2 106.8(4) . . ?
C2 N1 B1 130.2(4) . . ?
N2 N1 B1 122.9(3) . . ?
C1 N2 N1 103.7(4) . . ?
C1 N2 Ag1 136.5(3) . . ?
N1 N2 Ag1 119.6(3) . . ?
C2 N3 C1 102.3(4) . . ?
N5 N4 C6 107.0(3) . . ?
N5 N4 B1 122.0(3) . . ?
C6 N4 B1 130.9(3) . . ?
C5 N5 N4 103.6(3) . . ?
C5 N5 Ag1 138.3(3) . . ?
N4 N5 Ag1 118.1(2) . . ?
C6 N6 C5 101.7(3) . . ?
C10 N7 N8 106.5(3) . . ?
C10 N7 B1 131.8(3) . . ?
N8 N7 B1 121.7(3) . . ?
C9 N8 N7 103.3(4) . . ?
C9 N8 Ag1 135.4(3) . . ?
N7 N8 Ag1 121.0(3) . . ?
C10 N9 C9 101.1(4) . . ?
N11 N10 C16 106.4(4) . . ?
N11 N10 B2 123.2(3) . . ?
C16 N10 B2 130.3(4) . . ?
C15 N11 N10 104.4(4) . . ?
C15 N11 Ag2 136.4(3) . . ?
N10 N11 Ag2 119.2(3) . . ?
C16 N12 C15 102.2(4) . . ?
C20 N13 N14 106.8(3) . . ?
C20 N13 B2 131.6(3) . . ?
N14 N13 B2 121.5(3) . . ?
C19 N14 N13 104.1(3) . . ?
C19 N14 Ag2 137.4(3) . . ?
N13 N14 Ag2 118.4(2) . . ?
C20 N15 C19 101.4(3) . . ?
C24 N16 N17 108.6(4) . . ?
C24 N16 B2 129.9(4) . . ?
N17 N16 B2 121.4(3) . . ?
C23 N17 N16 101.3(4) . . ?
C23 N17 Ag2 137.3(3) . . ?
N16 N17 Ag2 121.4(3) . . ?
C23 N18 C24 101.9(4) . . ?
N1 B1 N4 109.0(3) . . ?
N1 B1 N7 109.6(3) . . ?
N4 B1 N7 109.6(3) . . ?
N1 B1 H1 114(3) . . ?
N4 B1 H1 107(2) . . ?
N7 B1 H1 108(3) . . ?
N13 B2 N10 108.8(3) . . ?
N13 B2 N16 109.9(3) . . ?
N10 B2 N16 109.6(3) . . ?
N13 B2 H2 112(3) . . ?
N10 B2 H2 116(3) . . ?
N16 B2 H2 100(3) . . ?
N2 C1 N3 115.5(4) . . ?
N2 C1 C3 122.9(4) . . ?
N3 C1 C3 121.5(4) . . ?
N3 C2 N1 111.6(4) . . ?
N3 C2 C4 123.4(4) . . ?
N1 C2 C4 124.9(4) . . ?
F3 C3 F1 109.8(5) . . ?
F3 C3 F2 104.8(5) . . ?
F1 C3 F2 106.4(5) . . ?
F3 C3 C1 112.2(4) . . ?
F1 C3 C1 112.0(4) . . ?
F2 C3 C1 111.2(4) . . ?
F4 C4 F6 109.7(4) . . ?
F4 C4 F5 107.7(5) . . ?
F6 C4 F5 108.5(4) . . ?
F4 C4 C2 109.0(4) . . ?
F6 C4 C2 110.6(4) . . ?
F5 C4 C2 111.1(4) . . ?
N5 C5 N6 115.6(3) . . ?
N5 C5 C7 122.0(4) . . ?
N6 C5 C7 122.4(3) . . ?
N6 C6 N4 112.1(3) . . ?
N6 C6 C8 123.8(3) . . ?
N4 C6 C8 124.1(3) . . ?
F7 C7 F9 109.7(5) . . ?
F7 C7 F8 108.2(5) . . ?
F9 C7 F8 105.5(4) . . ?
F7 C7 C5 111.6(3) . . ?
F9 C7 C5 110.8(4) . . ?
F8 C7 C5 110.9(4) . . ?
F12 C8 F11 108.7(3) . . ?
F12 C8 F10 107.2(3) . . ?
F11 C8 F10 106.7(3) . . ?
F12 C8 C6 112.4(4) . . ?
F11 C8 C6 111.5(4) . . ?
F10 C8 C6 110.1(3) . . ?
N8 C9 N9 116.0(4) . . ?
N8 C9 C11 122.1(5) . . ?
N9 C9 C11 121.8(4) . . ?
N9 C10 N7 113.1(4) . . ?
N9 C10 C12 122.7(4) . . ?
N7 C10 C12 124.2(4) . . ?
F14 C11 F13 108.5(5) . . ?
F14 C11 F15 105.1(4) . . ?
F13 C11 F15 106.5(4) . . ?
F14 C11 C9 112.6(4) . . ?
F13 C11 C9 112.5(4) . . ?
F15 C11 C9 111.2(4) . . ?
F16 C12 F17 108.1(5) . . ?
F16 C12 F18 107.9(5) . . ?
F17 C12 F18 108.5(4) . . ?
F16 C12 C10 110.0(4) . . ?
F17 C12 C10 110.9(5) . . ?
F18 C12 C10 111.3(4) . . ?
C14 C13 Ag1 74.3(4) . . ?
C14 C13 H13A 116.1 . . ?
Ag1 C13 H13A 116.1 . . ?
C14 C13 H13B 116.1 . . ?
Ag1 C13 H13B 116.1 . . ?
H13A C13 H13B 113.1 . . ?
C13 C14 Ag1 71.9(4) . . ?
C13 C14 H14A 116.4 . . ?
Ag1 C14 H14A 116.4 . . ?
C13 C14 H14B 116.4 . . ?
Ag1 C14 H14B 116.4 . . ?
H14A C14 H14B 113.4 . . ?
N11 C15 N12 115.1(4) . . ?
N11 C15 C17 122.8(5) . . ?
N12 C15 C17 122.1(4) . . ?
N12 C16 N10 111.8(4) . . ?
N12 C16 C18 123.4(4) . . ?
N10 C16 C18 124.7(4) . . ?
F19 C17 F21 110.0(6) . . ?
F19 C17 F20 104.8(5) . . ?
F21 C17 F20 104.8(5) . . ?
F19 C17 C15 112.9(4) . . ?
F21 C17 C15 113.5(5) . . ?
F20 C17 C15 110.2(5) . . ?
F24 C18 F23 107.8(4) . . ?
F24 C18 F22 107.4(4) . . ?
F23 C18 F22 107.9(4) . . ?
F24 C18 C16 111.3(4) . . ?
F23 C18 C16 112.0(4) . . ?
F22 C18 C16 110.2(4) . . ?
N14 C19 N15 114.4(3) . . ?
N14 C19 C21 123.0(4) . . ?
N15 C19 C21 122.4(4) . . ?
N15 C20 N13 113.1(3) . . ?
N15 C20 C22 122.9(3) . . ?
N13 C20 C22 124.0(4) . . ?
F26 C21 F27 115.9(6) . . ?
F26 C21 F25 105.9(6) . . ?
F27 C21 F25 97.6(6) . . ?
F26 C21 C19 114.1(6) . . ?
F27 C21 C19 113.0(4) . . ?
F25 C21 C19 108.5(5) . . ?
F29 C22 F30 108.2(4) . . ?
F29 C22 F28 107.6(4) . . ?
F30 C22 F28 107.3(4) . . ?
F29 C22 C20 112.3(3) . . ?
F30 C22 C20 111.4(3) . . ?
F28 C22 C20 109.8(3) . . ?
N18 C23 N17 116.2(4) . . ?
N18 C23 C25 122.7(5) . . ?
N17 C23 C25 121.1(5) . . ?
N18 C24 N16 112.0(4) . . ?
N18 C24 C26 121.9(4) . . ?
N16 C24 C26 126.0(4) . . ?
F33B C25 F32A 124.6(10) . . ?
F33B C25 F32B 114.1(16) . . ?
F32A C25 F32B 16(2) . . ?
F33B C25 F31A 67.2(9) . . ?
F32A C25 F31A 112.7(10) . . ?
F32B C25 F31A 121.8(16) . . ?
F33B C25 F31B 105.0(11) . . ?
F32A C25 F31B 80.7(12) . . ?
F32B C25 F31B 94.6(19) . . ?
F31A C25 F31B 40.1(8) . . ?
F33B C25 F33A 37.3(7) . . ?
F32A C25 F33A 102.4(9) . . ?
F32B C25 F33A 87.6(17) . . ?
F31A C25 F33A 103.3(7) . . ?
F31B C25 F33A 135.7(8) . . ?
F33B C25 C23 116.3(7) . . ?
F32A C25 C23 112.9(7) . . ?
F32B C25 C23 114.5(13) . . ?
F31A C25 C23 114.7(5) . . ?
F31B C25 C23 109.4(6) . . ?
F33A C25 C23 109.7(6) . . ?
F34 C26 F36 108.7(5) . . ?
F34 C26 F35 108.5(5) . . ?
F36 C26 F35 108.8(5) . . ?
F34 C26 C24 109.6(5) . . ?
F36 C26 C24 110.4(4) . . ?
F35 C26 C24 110.9(4) . . ?
C28 C27 Ag2 75.0(6) . . ?
C28 C27 H27A 116.0 . . ?
Ag2 C27 H27A 116.0 . . ?
C28 C27 H27B 116.0 . . ?
Ag2 C27 H27B 116.0 . . ?
H27A C27 H27B 113.0 . . ?
C27 C28 Ag2 71.3(5) . . ?
C27 C28 H28A 116.5 . . ?
Ag2 C28 H28A 116.5 . . ?
C27 C28 H28B 116.5 . . ?
Ag2 C28 H28B 116.5 . . ?
H28A C28 H28B 113.5 . . ?
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 C13 2.281(5) . ?
Ag1 C14 2.311(6) . ?
Ag1 N8 2.341(4) . ?
Ag1 N2 2.346(4) . ?
Ag1 N5 2.481(3) . ?
Ag2 C27 2.263(7) . ?
Ag2 C28 2.308(8) . ?
Ag2 N17 2.327(4) . ?
Ag2 N11 2.358(4) . ?
Ag2 N14 2.469(3) . ?
N1 C2 1.365(6) . ?
N1 N2 1.371(5) . ?
N1 B1 1.550(6) . ?
N2 C1 1.320(6) . ?
N3 C2 1.327(6) . ?
N3 C1 1.342(6) . ?
N4 N5 1.353(4) . ?
N4 C6 1.353(4) . ?
N4 B1 1.551(5) . ?
N5 C5 1.323(5) . ?
N6 C6 1.324(5) . ?
N6 C5 1.333(5) . ?
N7 C10 1.351(6) . ?
N7 N8 1.361(5) . ?
N7 B1 1.556(6) . ?
N8 C9 1.320(6) . ?
N9 C10 1.315(6) . ?
N9 C9 1.338(7) . ?
N10 N11 1.360(5) . ?
N10 C16 1.363(6) . ?
N10 B2 1.557(6) . ?
N11 C15 1.321(6) . ?
N12 C16 1.329(6) . ?
N12 C15 1.338(7) . ?
N13 C20 1.343(5) . ?
N13 N14 1.355(4) . ?
N13 B2 1.555(5) . ?
N14 C19 1.316(5) . ?
N15 C20 1.307(5) . ?
N15 C19 1.361(5) . ?
N16 C24 1.331(6) . ?
N16 N17 1.358(5) . ?
N16 B2 1.569(5) . ?
N17 C23 1.345(6) . ?
N18 C23 1.316(7) . ?
N18 C24 1.320(6) . ?
B1 H1 1.08(5) . ?
B2 H2 1.12(6) . ?
C1 C3 1.498(7) . ?
C2 C4 1.506(7) . ?
C3 F3 1.283(6) . ?
C3 F1 1.286(6) . ?
C3 F2 1.334(7) . ?
C4 F4 1.319(6) . ?
C4 F6 1.321(7) . ?
C4 F5 1.324(6) . ?
C5 C7 1.506(6) . ?
C6 C8 1.494(5) . ?
C7 F7 1.299(5) . ?
C7 F9 1.322(6) . ?
C7 F8 1.332(7) . ?
C8 F12 1.326(5) . ?
C8 F11 1.328(6) . ?
C8 F10 1.343(4) . ?
C9 C11 1.496(7) . ?
C10 C12 1.513(7) . ?
C11 F14 1.316(6) . ?
C11 F13 1.323(6) . ?
C11 F15 1.342(6) . ?
C12 F16 1.326(6) . ?
C12 F17 1.327(7) . ?
C12 F18 1.332(7) . ?
C13 C14 1.336(10) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C17 1.479(7) . ?
C16 C18 1.486(7) . ?
C17 F19 1.299(7) . ?
C17 F21 1.314(7) . ?
C17 F20 1.358(8) . ?
C18 F24 1.329(6) . ?
C18 F23 1.331(6) . ?
C18 F22 1.333(5) . ?
C19 C21 1.490(6) . ?
C20 C22 1.509(6) . ?
C21 F26 1.224(8) . ?
C21 F27 1.291(6) . ?
C21 F25 1.397(9) . ?
C22 F29 1.305(5) . ?
C22 F30 1.327(5) . ?
C22 F28 1.332(5) . ?
C23 C25 1.493(7) . ?
C24 C26 1.526(7) . ?
C25 F33B 1.241(10) . ?
C25 F32A 1.273(8) . ?
C25 F32B 1.284(13) . ?
C25 F31A 1.302(8) . ?
C25 F31B 1.335(12) . ?
C25 F33A 1.373(9) . ?
C26 F34 1.311(6) . ?
C26 F36 1.315(7) . ?
C26 F35 1.318(6) . ?
C27 C28 1.326(13) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
