#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:57:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179355 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/52/4325264.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_4325264
loop_
_publ_author_name
'Svetlana V. Eliseeva'
'Dmitry N. Pleshkov'
'Konstantin A. Lyssenko'
'Leonid S. Lepnev'
'Jean-Claude G. Bünzli'
'Natalia P. Kuzmina'
_publ_section_title
;
 Deciphering Three Beneficial Effects of 2,2'-Bipyridine-N,N'-Dioxide on
 the Luminescence Sensitization of Lanthanide(III)
 Hexafluoroacetylacetonate Ternary Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5137
_journal_page_last               5144
_journal_paper_doi               10.1021/ic200450x
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C25 H11 Eu F18 N2 O8, 0.5(C6 H6)'
_chemical_formula_sum            'C28 H14 Eu F18 N2 O8'
_chemical_formula_weight         1000.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 96.837(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.7679(17)
_cell_length_b                   13.9944(19)
_cell_length_c                   19.567(3)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      3
_cell_volume                     3471.4(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX II'
_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, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX II CCD area detector''
_diffrn_measurement_method       '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  0.0352
_diffrn_reflns_av_sigmaI/netI    0.0382
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            27000
_diffrn_reflns_theta_full        28.87
_diffrn_reflns_theta_max         28.87
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    1.954
_exptl_absorpt_correction_T_max  0.696
_exptl_absorpt_correction_T_min  0.696
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.914
_exptl_crystal_description       cubic
_exptl_crystal_F_000             1940
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.850
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     536
_refine_ls_number_reflns         9063
_refine_ls_number_restraints     17
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0294
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0311P)²+2.0302P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0676
_refine_ls_wR_factor_ref         0.0712
_reflns_number_gt                7585
_reflns_number_total             9063
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic200450x_si_001.cif
_cod_data_source_block           a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4325264
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Eu1 Eu 0.602968(8) 0.241689(7) 0.100030(5) 0.01565(3) Uani 1 1 d . . .
N1 N 0.60176(14) 0.09977(13) -0.02836(9) 0.0199(4) Uani 1 1 d . . .
N2 N 0.73256(13) 0.03679(12) 0.10313(9) 0.0169(4) Uani 1 1 d . . .
O1 O 0.74273(11) 0.13032(10) 0.09603(8) 0.0180(3) Uani 1 1 d . . .
O2 O 0.54382(11) 0.11764(11) 0.02277(8) 0.0197(3) Uani 1 1 d . . .
O3 O 0.60040(12) 0.15817(12) 0.20463(8) 0.0240(4) Uani 1 1 d . . .
O4 O 0.41989(12) 0.20959(12) 0.11728(8) 0.0227(4) Uani 1 1 d . . .
O5 O 0.49172(12) 0.33088(11) 0.01661(8) 0.0207(3) Uani 1 1 d . . .
O6 O 0.54367(12) 0.37818(11) 0.15799(8) 0.0239(4) Uani 1 1 d . A .
O7 O 0.75692(12) 0.30843(11) 0.16332(9) 0.0247(4) Uani 1 1 d . . .
O8 O 0.71301(12) 0.29992(11) 0.01765(8) 0.0239(4) Uani 1 1 d . . .
F1 F 0.51527(12) 0.05213(10) 0.34669(7) 0.0331(4) Uani 1 1 d . . .
F2 F 0.67250(12) 0.06917(12) 0.31797(8) 0.0402(4) Uani 1 1 d . . .
F3 F 0.59315(13) 0.18900(11) 0.35823(8) 0.0388(4) Uani 1 1 d . . .
F4 F 0.24861(13) 0.30267(13) 0.19496(11) 0.0588(5) Uani 1 1 d . . .
F5 F 0.20356(12) 0.15475(14) 0.19654(10) 0.0546(5) Uani 1 1 d . . .
F6 F 0.21377(12) 0.22450(14) 0.10159(9) 0.0451(4) Uani 1 1 d . . .
F7 F 0.38449(11) 0.37951(10) -0.09976(7) 0.0299(3) Uani 1 1 d . . .
F8 F 0.32490(12) 0.50527(10) -0.05450(8) 0.0376(4) Uani 1 1 d . . .
F9 F 0.25900(11) 0.36710(11) -0.03579(8) 0.0355(4) Uani 1 1 d . . .
C26 C 0.45087(14) 0.50995(13) 0.19837(10) 0.0397(8) Uani 0.732(3) 1 d PD A 1
F10 F 0.4016(3) 0.4651(2) 0.24440(14) 0.0953(9) Uani 0.732(3) 1 d PD A 1
F11 F 0.4005(2) 0.58888(15) 0.17717(12) 0.0643(8) Uani 0.732(3) 1 d PD A 1
F12 F 0.53819(12) 0.54257(12) 0.23295(9) 0.0535(5) Uani 1 1 d D . .
F13 F 1.03106(14) 0.3201(2) 0.19273(11) 0.0943(9) Uani 1 1 d . . .
F14 F 0.92213(19) 0.25144(13) 0.25392(12) 0.0755(7) Uani 1 1 d . . .
F15 F 0.92797(12) 0.40149(12) 0.24639(8) 0.0420(4) Uani 1 1 d . . .
F16 F 0.8184(3) 0.2836(2) -0.09313(13) 0.0980(9) Uani 0.787(5) 1 d PD B 1
F17 F 0.95667(12) 0.3396(2) -0.03923(19) 0.0708(8) Uani 0.787(5) 1 d PD B 1
F18 F 0.8256(2) 0.43149(14) -0.06480(15) 0.0655(7) Uani 0.787(5) 1 d PD B 1
C1S C -0.0188(2) -0.0531(3) 0.05549(19) 0.0601(10) Uani 1 1 d . . .
H1SA H -0.0317 -0.0903 0.0942 0.072 Uiso 1 1 calc R . .
C2S C -0.0173(2) 0.0441(3) 0.05994(18) 0.0570(10) Uani 1 1 d . . .
H2SA H -0.0296 0.0747 0.1016 0.068 Uiso 1 1 calc R . .
C3S C 0.0018(2) 0.0971(2) 0.0048(2) 0.0576(10) Uani 1 1 d . . .
H3SA H 0.0035 0.1648 0.0079 0.069 Uiso 1 1 calc R . .
C1 C 0.58283(18) 0.15000(18) -0.08732(12) 0.0276(6) Uani 1 1 d . . .
H1A H 0.5294 0.1976 -0.0918 0.033 Uiso 1 1 calc R . .
C2 C 0.6404(2) 0.1326(2) -0.14090(13) 0.0334(6) Uani 1 1 d . . .
H2A H 0.6278 0.1689 -0.1821 0.040 Uiso 1 1 calc R . .
C3 C 0.7173(2) 0.0617(2) -0.13465(13) 0.0349(6) Uani 1 1 d . . .
H3A H 0.7560 0.0475 -0.1720 0.042 Uiso 1 1 calc R . .
C4 C 0.73661(18) 0.01225(18) -0.07348(13) 0.0279(6) Uani 1 1 d . . .
H4A H 0.7900 -0.0354 -0.0682 0.033 Uiso 1 1 calc R . .
C5 C 0.67876(17) 0.03171(16) -0.02010(11) 0.0199(5) Uani 1 1 d . . .
C6 C 0.69886(16) -0.01756(15) 0.04687(12) 0.0190(5) Uani 1 1 d . . .
C7 C 0.69480(17) -0.11554(16) 0.05385(13) 0.0238(5) Uani 1 1 d . . .
H7A H 0.6716 -0.1543 0.0151 0.029 Uiso 1 1 calc R . .
C8 C 0.72452(19) -0.15742(17) 0.11719(14) 0.0295(6) Uani 1 1 d . . .
H8A H 0.7218 -0.2249 0.1222 0.035 Uiso 1 1 calc R . .
C9 C 0.75834(18) -0.10024(17) 0.17339(13) 0.0263(5) Uani 1 1 d . . .
H9A H 0.7800 -0.1282 0.2170 0.032 Uiso 1 1 calc R . .
C10 C 0.76018(17) -0.00284(16) 0.16540(12) 0.0218(5) Uani 1 1 d . . .
H10A H 0.7811 0.0369 0.2040 0.026 Uiso 1 1 calc R . .
C11 C 0.53264(18) 0.14290(16) 0.24486(12) 0.0220(5) Uani 1 1 d . . .
C12 C 0.42420(18) 0.15750(19) 0.23306(12) 0.0280(6) Uani 1 1 d . . .
H12A H 0.3816 0.1432 0.2684 0.034 Uiso 1 1 calc R . .
C13 C 0.37715(17) 0.19274(16) 0.17024(12) 0.0224(5) Uani 1 1 d . . .
C14 C 0.57918(19) 0.11170(19) 0.31743(13) 0.0289(6) Uani 1 1 d . . .
C15 C 0.25907(19) 0.21876(19) 0.16586(14) 0.0294(6) Uani 1 1 d . . .
C22 C 0.42815(17) 0.39745(15) 0.02130(12) 0.0215(5) Uani 1 1 d . . .
C23 C 0.41674(19) 0.45523(17) 0.07778(13) 0.0310(6) Uani 1 1 d . A .
H23A H 0.3678 0.5066 0.0726 0.037 Uiso 1 1 calc R . .
C24 C 0.47480(18) 0.44015(16) 0.14152(11) 0.0269(5) Uani 1 1 d D . .
C25 C 0.34912(18) 0.41320(16) -0.04328(13) 0.0256(5) Uani 1 1 d . . .
C33 C 0.84863(18) 0.31841(16) 0.14776(14) 0.0277(6) Uani 1 1 d . . .
C34 C 0.88099(19) 0.32704(17) 0.08311(15) 0.0320(6) Uani 1 1 d . . .
H34A H 0.9535 0.3376 0.0791 0.038 Uiso 1 1 calc R . .
C35 C 0.80943(19) 0.32054(16) 0.02357(13) 0.0272(5) Uani 1 1 d . B .
C36 C 0.9337(2) 0.3224(2) 0.21009(17) 0.0424(8) Uani 1 1 d . . .
C37 C 0.85259(12) 0.34420(11) -0.04406(11) 0.0425(7) Uani 1 1 d D . .
F11' F 0.3605(2) 0.5358(4) 0.1998(4) 0.0643(8) Uani 0.268(3) 1 d PD A 2
F10' F 0.4322(6) 0.4348(4) 0.2561(3) 0.0953(9) Uani 0.268(3) 1 d PD A 2
C26' C 0.45393(17) 0.4940(2) 0.20725(16) 0.0397(8) Uani 0.268(3) 1 d PD A 2
F16' F 0.8389(14) 0.2696(3) -0.0853(3) 0.0980(9) Uani 0.213(5) 1 d PD B 2
F17' F 0.9543(2) 0.3636(9) -0.0403(8) 0.0708(8) Uani 0.213(5) 1 d PD B 2
F18' F 0.8011(6) 0.4128(4) -0.0801(5) 0.0655(7) Uani 0.213(5) 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'
Eu Eu -0.1578 3.6682 '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'
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
O3 Eu1 O2 98.88(6) . .
O3 Eu1 O1 77.99(5) . .
O2 Eu1 O1 71.44(5) . .
O3 Eu1 O5 141.62(5) . .
O2 Eu1 O5 80.09(5) . .
O1 Eu1 O5 135.13(5) . .
O3 Eu1 O7 80.76(6) . .
O2 Eu1 O7 143.10(5) . .
O1 Eu1 O7 72.45(5) . .
O5 Eu1 O7 122.50(5) . .
O3 Eu1 O6 86.93(6) . .
O2 Eu1 O6 142.61(5) . .
O1 Eu1 O6 145.17(5) . .
O5 Eu1 O6 73.14(5) . .
O7 Eu1 O6 74.26(5) . .
O3 Eu1 O8 144.99(5) . .
O2 Eu1 O8 89.30(5) . .
O1 Eu1 O8 72.50(5) . .
O5 Eu1 O8 73.24(5) . .
O7 Eu1 O8 72.79(6) . .
O6 Eu1 O8 106.91(6) . .
O3 Eu1 O4 71.15(5) . .
O2 Eu1 O4 73.47(5) . .
O1 Eu1 O4 128.19(5) . .
O5 Eu1 O4 71.89(5) . .
O7 Eu1 O4 138.00(6) . .
O6 Eu1 O4 73.68(5) . .
O8 Eu1 O4 143.17(5) . .
O2 N1 C1 118.96(18) . .
O2 N1 C5 119.80(18) . .
C1 N1 C5 121.2(2) . .
O1 N2 C10 118.91(18) . .
O1 N2 C6 119.45(17) . .
C10 N2 C6 121.58(19) . .
N2 O1 Eu1 124.13(12) . .
N1 O2 Eu1 116.91(12) . .
C11 O3 Eu1 135.21(14) . .
C13 O4 Eu1 131.97(14) . .
C22 O5 Eu1 132.92(15) . .
C24 O6 Eu1 133.25(13) . .
C33 O7 Eu1 130.85(16) . .
C35 O8 Eu1 131.35(16) . .
F12 C26 F10 105.0(2) . .
F12 C26 F11 102.86(18) . .
F10 C26 F11 111.0(2) . .
F12 C26 C24 111.31(16) . .
F10 C26 C24 110.14(19) . .
F11 C26 C24 115.82(18) . .
C26 F12 C26' 12.3(2) . .
C2S C1S C3S 120.1(3) . 3
C2S C1S H1SA 120.0 . .
C3S C1S H1SA 120.0 3 .
C3S C2S C1S 119.8(3) . .
C3S C2S H2SA 120.1 . .
C1S C2S H2SA 120.1 . .
C2S C3S C1S 120.1(3) . 3
C2S C3S H3SA 119.9 . .
C1S C3S H3SA 119.9 3 .
N1 C1 C2 120.2(2) . .
N1 C1 H1A 119.9 . .
C2 C1 H1A 119.9 . .
C1 C2 C3 119.8(2) . .
C1 C2 H2A 120.1 . .
C3 C2 H2A 120.1 . .
C4 C3 C2 119.0(2) . .
C4 C3 H3A 120.5 . .
C2 C3 H3A 120.5 . .
C5 C4 C3 120.2(2) . .
C5 C4 H4A 119.9 . .
C3 C4 H4A 119.9 . .
N1 C5 C4 119.5(2) . .
N1 C5 C6 118.54(19) . .
C4 C5 C6 121.9(2) . .
N2 C6 C7 119.1(2) . .
N2 C6 C5 117.43(18) . .
C7 C6 C5 123.2(2) . .
C6 C7 C8 120.0(2) . .
C6 C7 H7A 120.0 . .
C8 C7 H7A 120.0 . .
C7 C8 C9 119.5(2) . .
C7 C8 H8A 120.2 . .
C9 C8 H8A 120.2 . .
C10 C9 C8 119.4(2) . .
C10 C9 H9A 120.3 . .
C8 C9 H9A 120.3 . .
N2 C10 C9 120.4(2) . .
N2 C10 H10A 119.8 . .
C9 C10 H10A 119.8 . .
O3 C11 C12 128.1(2) . .
O3 C11 C14 114.11(19) . .
C12 C11 C14 117.6(2) . .
C11 C12 C13 121.0(2) . .
C11 C12 H12A 119.5 . .
C13 C12 H12A 119.5 . .
O4 C13 C12 127.9(2) . .
O4 C13 C15 115.4(2) . .
C12 C13 C15 116.6(2) . .
F2 C14 F1 107.9(2) . .
F2 C14 F3 107.4(2) . .
F1 C14 F3 106.9(2) . .
F2 C14 C11 112.5(2) . .
F1 C14 C11 112.54(19) . .
F3 C14 C11 109.3(2) . .
F4 C15 F6 107.5(2) . .
F4 C15 F5 108.6(2) . .
F6 C15 F5 105.9(2) . .
F4 C15 C13 109.5(2) . .
F6 C15 C13 112.4(2) . .
F5 C15 C13 112.7(2) . .
O5 C22 C23 128.6(2) . .
O5 C22 C25 114.6(2) . .
C23 C22 C25 116.7(2) . .
C24 C23 C22 122.0(2) . .
C24 C23 H23A 119.0 . .
C22 C23 H23A 119.0 . .
O6 C24 C23 128.38(19) . .
O6 C24 C26 116.65(18) . .
C23 C24 C26 114.97(19) . .
O6 C24 C26' 108.1(2) . .
C23 C24 C26' 123.2(2) . .
C26 C24 C26' 10.52(17) . .
F7 C25 F8 107.5(2) . .
F7 C25 F9 107.51(18) . .
F8 C25 F9 107.25(19) . .
F7 C25 C22 112.22(19) . .
F8 C25 C22 112.94(19) . .
F9 C25 C22 109.2(2) . .
O7 C33 C34 128.5(2) . .
O7 C33 C36 113.9(2) . .
C34 C33 C36 117.6(2) . .
C33 C34 C35 121.4(2) . .
C33 C34 H34A 119.3 . .
C35 C34 H34A 119.3 . .
O8 C35 C34 129.0(2) . .
O8 C35 C37 114.8(2) . .
C34 C35 C37 116.2(2) . .
F15 C36 F13 105.7(2) . .
F15 C36 F14 105.1(3) . .
F13 C36 F14 109.0(3) . .
F15 C36 C33 112.2(2) . .
F13 C36 C33 113.0(3) . .
F14 C36 C33 111.3(2) . .
F18' C37 F17' 107.7(6) . .
F18' C37 F16' 103.1(6) . .
F17' C37 F16' 104.8(10) . .
F18' C37 F16 88.7(4) . .
F17' C37 F16 114.3(7) . .
F16' C37 F16 15.1(6) . .
F18' C37 F17 120.4(4) . .
F17' C37 F17 14.7(6) . .
F16' C37 F17 93.7(8) . .
F16 C37 F17 105.3(3) . .
F18' C37 F18 21.1(4) . .
F17' C37 F18 92.7(5) . .
F16' C37 F18 122.2(4) . .
F16 C37 F18 108.7(2) . .
F17 C37 F18 106.9(2) . .
F18' C37 C35 114.3(5) . .
F17' C37 C35 116.7(7) . .
F16' C37 C35 108.9(5) . .
F16 C37 C35 111.7(2) . .
F17 C37 C35 113.0(2) . .
F18 C37 C35 111.02(19) . .
F10' C26' F11' 95.4(5) . .
F10' C26' F12 106.2(4) . .
F11' C26' F12 119.9(3) . .
F10' C26' C24 111.7(4) . .
F11' C26' C24 111.6(4) . .
F12 C26' C24 110.8(2) . .
C37 F16' F18' 38.4(3) . .
C37 F18' F16' 38.4(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O3 2.3605(16) .
Eu1 O2 2.3659(15) .
Eu1 O1 2.3776(14) .
Eu1 O5 2.3849(15) .
Eu1 O7 2.3854(16) .
Eu1 O6 2.3900(16) .
Eu1 O8 2.4033(16) .
Eu1 O4 2.4428(16) .
N1 O2 1.337(2) .
N1 C1 1.348(3) .
N1 C5 1.365(3) .
N2 O1 1.324(2) .
N2 C10 1.347(3) .
N2 C6 1.365(3) .
O3 C11 1.255(3) .
O4 C13 1.250(3) .
O5 C22 1.246(3) .
O6 C24 1.250(3) .
O7 C33 1.252(3) .
O8 C35 1.256(3) .
F1 C14 1.342(3) .
F2 C14 1.331(3) .
F3 C14 1.344(3) .
F4 C15 1.319(3) .
F5 C15 1.329(3) .
F6 C15 1.323(3) .
F7 C25 1.329(3) .
F8 C25 1.337(3) .
F9 C25 1.342(3) .
C26 F12 1.3152(17) .
C26 F10 1.3173(19) .
C26 F11 1.3200(18) .
C26 C24 1.538(2) .
F12 C26' 1.3202(19) .
F13 C36 1.328(3) .
F14 C36 1.331(4) .
F15 C36 1.322(3) .
F16 C37 1.3158(19) .
F17 C37 1.3225(17) .
F18 C37 1.3199(17) .
C1S C2S 1.363(5) .
C1S C3S 1.371(5) 3
C1S H1SA 0.9500 .
C2S C3S 1.355(5) .
C2S H2SA 0.9500 .
C3S C1S 1.371(5) 3
C3S H3SA 0.9500 .
C1 C2 1.372(4) .
C1 H1A 0.9500 .
C2 C3 1.391(4) .
C2 H2A 0.9500 .
C3 C4 1.379(4) .
C3 H3A 0.9500 .
C4 C5 1.376(3) .
C4 H4A 0.9500 .
C5 C6 1.476(3) .
C6 C7 1.380(3) .
C7 C8 1.383(4) .
C7 H7A 0.9500 .
C8 C9 1.387(4) .
C8 H8A 0.9500 .
C9 C10 1.373(3) .
C9 H9A 0.9500 .
C10 H10A 0.9500 .
C11 C12 1.391(3) .
C11 C14 1.536(3) .
C12 C13 1.393(3) .
C12 H12A 0.9500 .
C13 C15 1.543(3) .
C22 C23 1.391(3) .
C22 C25 1.536(3) .
C23 C24 1.389(3) .
C23 H23A 0.9500 .
C24 C26' 1.541(3) .
C33 C34 1.382(4) .
C33 C36 1.534(4) .
C34 C35 1.395(4) .
C34 H34A 0.9500 .
C35 C37 1.529(3) .
C37 F18' 1.319(2) .
C37 F17' 1.320(2) .
C37 F16' 1.319(2) .
F11' C26' 1.321(2) .
F10' C26' 1.319(2) .
F16' F18' 2.067(8) .
