#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:25:19 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180261 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/47/7114777.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_7114777
loop_
_publ_author_name
'Brandys, Marie-Claude'
'Puddephatt, Richard J.'
_publ_section_title
;
 Ring, polymer and network structures in silver(i) complexes with
 dipyridyl and diphosphine ligands
;
_journal_issue                   16
_journal_name_full               'Chemical Communications'
_journal_page_first              1508
_journal_paper_doi               10.1039/b104857k
_journal_year                    2001
_chemical_formula_sum            'C87 H69 Ag4 F12 N4 O9 P4'
_chemical_formula_weight         2097.82
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.0080(10)
_cell_angle_beta                 95.106(2)
_cell_angle_gamma                96.283(2)
_cell_formula_units_Z            1
_cell_length_a                   10.4879(2)
_cell_length_b                   15.2385(5)
_cell_length_c                   19.7575(5)
_cell_measurement_temperature    296(2)
_cell_volume                     3081.80(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.958
_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  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0437
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            21543
_diffrn_reflns_theta_full        27.59
_diffrn_reflns_theta_max         27.59
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    0.737
_exptl_absorpt_correction_T_max  0.7095
_exptl_absorpt_correction_T_min  0.6079
_exptl_crystal_density_diffrn    1.130
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1047
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.63
_exptl_crystal_size_min          0.50
_refine_diff_density_max         1.270
_refine_diff_density_min         -0.924
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.206
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     565
_refine_ls_number_reflns         13691
_refine_ls_number_restraints     46
_refine_ls_restrained_S_all      1.207
_refine_ls_R_factor_all          0.1236
_refine_ls_R_factor_gt           0.0836
_refine_ls_shift/su_max          0.195
_refine_ls_shift/su_mean         0.022
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2891
_refine_ls_wR_factor_ref         0.3344
_reflns_number_gt                8153
_reflns_number_total             13691
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b104857k.txt
_cod_data_source_block           00118i
_cod_original_cell_volume        3081.79(14)
_cod_database_code               7114777
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.64505(5) 0.17356(4) 0.16720(3) 0.0859(2) Uani 1 1 d . A .
Ag2 Ag 0.69119(5) 0.35640(4) 0.25969(3) 0.0896(3) Uani 1 1 d . A .
P1 P 0.46253(12) 0.13447(9) 0.22310(6) 0.0553(3) Uani 1 1 d . . .
P2 P 0.50735(13) 0.31786(9) 0.31523(7) 0.0562(3) Uani 1 1 d . . .
C1 C 0.3904(5) 0.2301(3) 0.2620(2) 0.0542(10) Uani 1 1 d . . .
H1A H 0.3260 0.2099 0.2904 0.065 Uiso 1 1 calc R . .
H1B H 0.3466 0.2556 0.2258 0.065 Uiso 1 1 calc R . .
C1A C 0.4934(4) 0.0701(3) 0.29122(19) 0.0646(12) Uani 1 1 d G . .
C1B C 0.6185(3) 0.0517(3) 0.3069(3) 0.096(2) Uani 1 1 d G . .
H1BA H 0.6834 0.0693 0.2808 0.115 Uiso 1 1 calc R . .
C1C C 0.6467(5) 0.0071(4) 0.3615(3) 0.131(4) Uani 1 1 d G . .
H1CA H 0.7304 -0.0052 0.3720 0.158 Uiso 1 1 calc R . .
C1D C 0.5498(7) -0.0192(4) 0.4005(3) 0.127(3) Uani 1 1 d G . .
H1DA H 0.5686 -0.0490 0.4370 0.152 Uiso 1 1 calc R . .
C1E C 0.4247(6) -0.0007(4) 0.3848(3) 0.123(3) Uani 1 1 d G . .
H1EA H 0.3598 -0.0183 0.4108 0.147 Uiso 1 1 calc R . .
C1F C 0.3965(4) 0.0439(3) 0.3302(3) 0.096(2) Uani 1 1 d G . .
H1FA H 0.3128 0.0562 0.3197 0.115 Uiso 1 1 calc R . .
C1G C 0.3277(3) 0.0642(2) 0.1696(2) 0.0642(12) Uani 1 1 d G . .
C1H C 0.3356(4) -0.0270(3) 0.1530(3) 0.104(2) Uani 1 1 d G . .
H1HA H 0.4062 -0.0511 0.1712 0.125 Uiso 1 1 calc R . .
C1I C 0.2380(6) -0.0823(2) 0.1091(4) 0.122(3) Uani 1 1 d G . .
H1IA H 0.2433 -0.1433 0.0980 0.146 Uiso 1 1 calc R . .
C1J C 0.1325(5) -0.0463(4) 0.0819(4) 0.134(4) Uani 1 1 d G . .
H1JA H 0.0672 -0.0833 0.0526 0.160 Uiso 1 1 calc R . .
C1K C 0.1246(5) 0.0449(4) 0.0985(4) 0.160(6) Uani 1 1 d G . .
H1KA H 0.0541 0.0689 0.0803 0.192 Uiso 1 1 calc R . .
C1L C 0.2223(5) 0.1001(3) 0.1424(3) 0.122(3) Uani 1 1 d G . .
H1LA H 0.2170 0.1611 0.1535 0.146 Uiso 1 1 calc R . .
C2A C 0.4114(4) 0.4078(3) 0.3407(2) 0.0672(13) Uani 1 1 d G . .
C2B C 0.4547(5) 0.4680(3) 0.4009(2) 0.115(3) Uani 1 1 d G . .
H2BA H 0.5286 0.4603 0.4279 0.138 Uiso 1 1 calc R . .
C2C C 0.3875(6) 0.5398(3) 0.4208(3) 0.131(4) Uani 1 1 d G . .
H2CA H 0.4164 0.5801 0.4611 0.157 Uiso 1 1 calc R . .
C2D C 0.2770(6) 0.5514(4) 0.3806(4) 0.133(4) Uani 1 1 d G . .
H2DA H 0.2320 0.5995 0.3939 0.159 Uiso 1 1 calc R . .
C2E C 0.2337(6) 0.4912(4) 0.3204(4) 0.169(6) Uani 1 1 d G . .
H2EA H 0.1598 0.4990 0.2934 0.203 Uiso 1 1 calc R . .
C2F C 0.3009(6) 0.4194(4) 0.3005(3) 0.141(5) Uani 1 1 d G . .
H2FA H 0.2720 0.3792 0.2602 0.169 Uiso 1 1 calc R . .
C2G C 0.5418(3) 0.2782(3) 0.39631(16) 0.0627(12) Uani 1 1 d G . .
C2H C 0.6693(3) 0.2715(3) 0.4187(2) 0.0826(17) Uani 1 1 d G . .
H2HA H 0.7347 0.2873 0.3924 0.099 Uiso 1 1 calc R . .
C2I C 0.6989(4) 0.2411(4) 0.4803(2) 0.107(3) Uani 1 1 d G . .
H2IA H 0.7842 0.2366 0.4952 0.128 Uiso 1 1 calc R . .
C2J C 0.6010(6) 0.2174(4) 0.51948(19) 0.114(3) Uani 1 1 d G . .
H2JA H 0.6208 0.1971 0.5607 0.136 Uiso 1 1 calc R . .
C2K C 0.4735(5) 0.2242(3) 0.4971(2) 0.109(3) Uani 1 1 d G . .
H2KA H 0.4081 0.2083 0.5234 0.130 Uiso 1 1 calc R . .
C2L C 0.4439(3) 0.2546(3) 0.4355(2) 0.0826(17) Uani 1 1 d G . .
H2LA H 0.3586 0.2591 0.4206 0.099 Uiso 1 1 calc R . .
C12 C 0.8799(6) 0.2204(5) 0.0874(3) 0.0771(15) Uani 1 1 d . . .
H12A H 0.9185 0.1859 0.1163 0.092 Uiso 1 1 calc R . .
C13 C 0.9542(6) 0.2597(5) 0.0442(4) 0.0801(16) Uani 1 1 d . . .
H13A H 1.0404 0.2507 0.0437 0.096 Uiso 1 1 calc R . .
C14 C 0.9020(5) 0.3123(4) 0.0017(3) 0.0691(14) Uani 1 1 d . . .
C15 C 0.7748(6) 0.3205(5) 0.0033(4) 0.0825(17) Uani 1 1 d . . .
H15A H 0.7348 0.3540 -0.0258 0.099 Uiso 1 1 calc R . .
C16 C 0.7041(6) 0.2792(5) 0.0480(3) 0.0813(17) Uani 1 1 d . . .
H16A H 0.6174 0.2869 0.0487 0.098 Uiso 1 1 calc R . .
C17 C 0.9881(6) 0.3580(4) -0.0413(3) 0.0788(15) Uani 1 1 d . . .
H17A H 1.0725 0.3445 -0.0409 0.095 Uiso 1 1 calc R . .
C22 C 0.9331(6) 0.4280(5) 0.1933(4) 0.0854(17) Uani 1 1 d . . .
H22A H 0.9701 0.3874 0.2171 0.102 Uiso 1 1 calc R . .
C23 C 1.0098(6) 0.4746(5) 0.1540(4) 0.0799(16) Uani 1 1 d . . .
H23A H 1.0947 0.4636 0.1505 0.096 Uiso 1 1 calc R . .
C24 C 0.9614(6) 0.5350(4) 0.1213(3) 0.0739(14) Uani 1 1 d . . .
C25 C 0.8354(7) 0.5466(6) 0.1271(4) 0.095(2) Uani 1 1 d . . .
H25A H 0.7982 0.5888 0.1052 0.114 Uiso 1 1 calc R . .
C26 C 0.7633(7) 0.4959(6) 0.1652(4) 0.094(2) Uani 1 1 d . . .
H26A H 0.6767 0.5034 0.1669 0.113 Uiso 1 1 calc R . .
C27 C 1.0453(6) 0.5853(5) 0.0792(4) 0.0847(17) Uani 1 1 d . . .
H27A H 1.1309 0.5743 0.0804 0.102 Uiso 1 1 calc R . .
C33 C 0.9071(6) 0.2179(9) 0.2826(5) 0.105(3) Uani 1 1 d . A .
C34 C 1.0044(9) 0.1802(9) 0.3270(6) 0.154(5) Uani 1 1 d D . .
C43 C 0.3684(7) 0.3520(5) 0.1140(4) 0.0869(18) Uani 1 1 d . B .
C44 C 0.3812(7) 0.4088(6) 0.0602(5) 0.104(2) Uani 1 1 d D . .
O51 O 0.6748(16) -0.0011(10) 0.1083(9) 0.164(5) Uani 0.60 1 d PU . .
C52 C 0.753(3) -0.0494(17) 0.1282(17) 0.210(10) Uani 0.60 1 d PU . .
H52 H 0.8054 -0.0341 0.1699 0.252 Uiso 0.60 1 calc PR . .
C53 C 0.756(3) -0.1435(18) 0.0744(19) 0.225(11) Uani 0.60 1 d PU . .
H53 H 0.8126 -0.1862 0.0719 0.270 Uiso 0.60 1 calc PR . .
C54 C 0.629(3) -0.1360(19) 0.0292(17) 0.207(10) Uani 0.60 1 d PU . .
H54 H 0.5685 -0.1809 0.0038 0.249 Uiso 0.60 1 calc PR . .
C55 C 0.633(3) -0.016(2) 0.0396(17) 0.209(10) Uani 0.60 1 d PU . .
H55 H 0.6134 0.0218 0.0089 0.251 Uiso 0.60 1 calc PR . .
N11 N 0.7555(5) 0.2287(3) 0.0905(3) 0.0729(12) Uani 1 1 d . . .
N21 N 0.8110(5) 0.4374(3) 0.1993(3) 0.0718(12) Uani 1 1 d . . .
O31 O 0.8556(7) 0.1544(8) 0.2303(4) 0.158(3) Uani 1 1 d . . .
O32 O 0.8879(7) 0.2908(6) 0.2978(5) 0.157(4) Uani 1 1 d . . .
O41 O 0.4691(6) 0.3309(6) 0.1366(4) 0.143(3) Uani 1 1 d . . .
O42 O 0.2583(6) 0.3302(5) 0.1273(4) 0.127(2) Uani 1 1 d . . .
F35 F 1.096(2) 0.2466(14) 0.3511(19) 0.206(16) Uani 0.50 1 d PD A 1
F36 F 1.063(2) 0.1179(15) 0.2974(10) 0.205(13) Uani 0.50 1 d PD A 1
F37 F 0.976(3) 0.196(3) 0.3901(8) 0.224(15) Uani 0.50 1 d PD A 1
F35' F 1.1197(17) 0.213(3) 0.3500(13) 0.22(2) Uani 0.50 1 d PD A 2
F36' F 1.091(2) 0.183(4) 0.2802(17) 0.42(3) Uani 0.50 1 d PD A 2
F37' F 0.951(2) 0.127(2) 0.3643(18) 0.246(19) Uani 0.50 1 d PD A 2
F45 F 0.2858(18) 0.4537(16) 0.0478(9) 0.139(7) Uani 0.50 1 d PD B 1
F46 F 0.483(2) 0.468(2) 0.0753(16) 0.191(13) Uani 0.50 1 d PD B 1
F47 F 0.385(4) 0.3662(13) -0.0043(7) 0.170(9) Uani 0.50 1 d PD B 1
F45' F 0.333(4) 0.4833(18) 0.079(2) 0.271(19) Uani 0.50 1 d PD B 2
F46' F 0.485(2) 0.420(3) 0.0340(18) 0.179(12) Uani 0.50 1 d PD B 2
F47' F 0.305(3) 0.361(3) 0.0060(10) 0.35(4) Uani 0.50 1 d PD B 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'
P P 0.1023 0.0942 '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
N11 Ag1 P1 157.50(15) .
N11 Ag1 O31 88.0(2) .
P1 Ag1 O31 114.26(18) .
N11 Ag1 Ag2 89.72(14) .
P1 Ag1 Ag2 90.00(4) .
O31 Ag1 Ag2 82.4(3) .
N21 Ag2 P2 155.30(15) .
N21 Ag2 O32 88.8(2) .
P2 Ag2 O32 114.75(18) .
N21 Ag2 Ag1 102.22(13) .
P2 Ag2 Ag1 90.08(4) .
O32 Ag2 Ag1 79.4(2) .
C1A P1 C1 105.8(2) .
C1A P1 C1G 101.9(2) .
C1 P1 C1G 103.6(2) .
C1A P1 Ag1 114.28(14) .
C1 P1 Ag1 113.57(16) .
C1G P1 Ag1 116.33(16) .
C2G P2 C2A 101.7(2) .
C2G P2 C1 105.7(2) .
C2A P2 C1 103.8(2) .
C2G P2 Ag2 114.76(13) .
C2A P2 Ag2 116.26(18) .
C1 P2 Ag2 113.17(16) .
P1 C1 P2 113.6(3) .
C1B C1A C1F 120.0 .
C1B C1A P1 118.7(2) .
C1F C1A P1 121.2(2) .
C1C C1B C1A 120.0 .
C1B C1C C1D 120.0 .
C1E C1D C1C 120.0 .
C1F C1E C1D 120.0 .
C1E C1F C1A 120.0 .
C1H C1G C1L 120.0 .
C1H C1G P1 118.2(2) .
C1L C1G P1 121.7(2) .
C1I C1H C1G 120.0 .
C1H C1I C1J 120.0 .
C1I C1J C1K 120.0 .
C1J C1K C1L 120.0 .
C1K C1L C1G 120.0 .
C2B C2A C2F 120.0 .
C2B C2A P2 118.1(2) .
C2F C2A P2 121.9(2) .
C2C C2B C2A 120.0 .
C2D C2C C2B 120.0 .
C2C C2D C2E 120.0 .
C2F C2E C2D 120.0 .
C2E C2F C2A 120.0 .
C2H C2G C2L 120.0 .
C2H C2G P2 118.5(2) .
C2L C2G P2 121.5(2) .
C2G C2H C2I 120.0 .
C2J C2I C2H 120.0 .
C2K C2J C2I 120.0 .
C2J C2K C2L 120.0 .
C2K C2L C2G 120.0 .
N11 C12 C13 123.7(6) .
C12 C13 C14 120.2(6) .
C15 C14 C13 117.0(5) .
C15 C14 C17 124.7(6) .
C13 C14 C17 118.3(5) .
C14 C15 C16 120.5(6) .
N11 C16 C15 122.7(6) .
C27 C17 C14 124.9(6) 2_765
N21 C22 C23 124.2(7) .
C24 C23 C22 119.4(6) .
C23 C24 C25 117.5(6) .
C23 C24 C27 119.0(6) .
C25 C24 C27 123.4(6) .
C24 C25 C26 120.0(7) .
N21 C26 C25 123.0(7) .
C17 C27 C24 127.1(6) 2_765
O32 C33 O31 131.4(9) .
O32 C33 C34 119.6(11) .
O31 C33 C34 109.0(10) .
F35 C34 F36 81(2) .
F35 C34 F37 114(2) .
F36 C34 F37 92(2) .
F35 C34 F37 87(2) .
F36 C34 F37 130(2) .
F37 C34 F37 50(2) .
F35 C34 F35 26(2) .
F36 C34 F35 105(2) .
F37 C34 F35 124(2) .
F37 C34 F35 81(2) .
F35 C34 F36 63(2) .
F36 C34 F36 50(3) .
F37 C34 F36 142(3) .
F37 C34 F36 150(2) .
F35 C34 F36 72(3) .
F35 C34 C33 128.8(19) .
F36 C34 C33 117.4(12) .
F37 C34 C33 112.4(12) .
F37 C34 C33 107.7(14) .
F35 C34 C33 106.1(14) .
F36 C34 C33 92.0(19) .
O41 C43 O42 129.4(8) .
O41 C43 C44 114.0(7) .
O42 C43 C44 116.5(6) .
F46 C44 F45 122.2(15) .
F46 C44 F46 46.5(16) .
F45 C44 F46 105.5(17) .
F46 C44 F45 113(2) .
F45 C44 F45 36(2) .
F46 C44 F45 77(2) .
F46 C44 F47 100.3(19) .
F45 C44 F47 73(2) .
F46 C44 F47 141.0(18) .
F45 C44 F47 108(2) .
F46 C44 F47 62.5(15) .
F45 C44 F47 98.1(15) .
F46 C44 F47 107.3(18) .
F45 C44 F47 127(2) .
F47 C44 F47 38.2(15) .
F46 C44 C43 120.8(10) .
F45 C44 C43 116.5(12) .
F46 C44 C43 111.5(12) .
F45 C44 C43 109.2(19) .
F47 C44 C43 103.2(15) .
F47 C44 C43 116.6(11) .
C52 O51 C55 117(2) .
O51 C52 C53 114(2) .
C54 C53 C52 95.3(18) .
C53 C54 C55 101(2) .
O51 C55 C54 95(2) .
C12 N11 C16 115.9(5) .
C12 N11 Ag1 122.1(4) .
C16 N11 Ag1 121.8(4) .
C26 N21 C22 115.7(6) .
C26 N21 Ag2 121.9(4) .
C22 N21 Ag2 122.4(4) .
C33 O31 Ag1 118.3(7) .
C33 O32 Ag2 126.3(8) .
C34 F35 F37 48.9(12) .
C34 F37 F35 49.7(13) .
C34 F35 F36 61.3(15) .
C34 F36 F35 55.5(13) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N11 2.199(4) .
Ag1 P1 2.3604(13) .
Ag1 O31 2.506(7) .
Ag1 Ag2 3.0479(8) .
Ag2 N21 2.217(5) .
Ag2 P2 2.3658(14) .
Ag2 O32 2.496(7) .
P1 C1A 1.812(3) .
P1 C1 1.812(5) .
P1 C1G 1.820(3) .
P2 C2G 1.819(3) .
P2 C2A 1.823(3) .
P2 C1 1.835(5) .
C1A C1B 1.3900 .
C1A C1F 1.3900 .
C1B C1C 1.3900 .
C1C C1D 1.3900 .
C1D C1E 1.3900 .
C1E C1F 1.3900 .
C1G C1H 1.3900 .
C1G C1L 1.3900 .
C1H C1I 1.3900 .
C1I C1J 1.3900 .
C1J C1K 1.3900 .
C1K C1L 1.3900 .
C2A C2B 1.3900 .
C2A C2F 1.3900 .
C2B C2C 1.3900 .
C2C C2D 1.3900 .
C2D C2E 1.3900 .
C2E C2F 1.3900 .
C2G C2H 1.3900 .
C2G C2L 1.3900 .
C2H C2I 1.3900 .
C2I C2J 1.3900 .
C2J C2K 1.3900 .
C2K C2L 1.3900 .
C12 N11 1.331(8) .
C12 C13 1.369(9) .
C13 C14 1.369(9) .
C14 C15 1.356(9) .
C14 C17 1.485(8) .
C15 C16 1.383(9) .
C16 N11 1.343(8) .
C17 C27 1.285(10) 2_765
C22 N21 1.317(8) .
C22 C23 1.384(9) .
C23 C24 1.322(9) .
C24 C25 1.365(9) .
C24 C27 1.496(9) .
C25 C26 1.376(10) .
C26 N21 1.313(9) .
C27 C17 1.285(10) 2_765
C33 O32 1.149(13) .
C33 O31 1.329(14) .
C33 C34 1.506(12) .
C34 F35 1.272(17) .
C34 F36 1.280(15) .
C34 F37 1.293(15) .
C34 F37 1.300(16) .
C34 F35 1.314(16) .
C34 F36 1.355(19) .
C43 O41 1.205(8) .
C43 O42 1.228(9) .
C43 C44 1.478(11) .
C44 F46 1.253(14) .
C44 F45 1.300(12) .
C44 F46 1.303(15) .
C44 F45 1.307(17) .
C44 F47 1.337(19) .
C44 F47 1.343(14) .
O51 C52 1.24(3) .
O51 C55 1.36(3) .
C52 C53 1.65(3) .
C53 C54 1.56(4) .
C54 C55 1.80(4) .
F35 F37 1.70(4) .
F35 F36 1.38(4) .
