#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:15:45 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180175 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/71/7107185.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_7107185
loop_
_publ_author_name
'Fabrice Fabrice Pointillart'
'Svetlana Klementieva'
'Viacheslav Kuropatov'
'Yann Le Gal'
'Stephane Golhen'
'Olivier Cador'
'Vladimir Cherkasov'
'Lahcene Ouahab'
_publ_section_title
;
 A single molecule magnet behaviour in a D3h symmetry Dy(III) complex
 involving a quinone-tetrathiafulvalene-quinone bridge
;
_journal_name_full               Chem.Commun.
_journal_page_first              714
_journal_paper_doi               10.1039/c1cc16314k
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C81 H66 Cl6 Dy2 F18 O16 S10'
_chemical_formula_weight         2495.64
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                90.000(5)
_cell_angle_beta                 114.895(6)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   26.443(5)
_cell_length_b                   22.306(4)
_cell_length_c                   17.858(3)
_cell_measurement_temperature    150(2)
_cell_volume                     9555(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0614
_diffrn_reflns_av_sigmaI/netI    0.0916
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            36392
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.25
_exptl_absorpt_coefficient_mu    2.035
_exptl_crystal_density_diffrn    1.735
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4944
_refine_diff_density_max         3.230
_refine_diff_density_min         -1.862
_refine_diff_density_rms         0.411
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     600
_refine_ls_number_reflns         10736
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.1452
_refine_ls_R_factor_gt           0.0814
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1562P)²+141.9522P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2294
_refine_ls_wR_factor_ref         0.2838
_reflns_number_gt                6438
_reflns_number_total             10736
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc16314k.txt
_cod_data_source_block           import-fpr448
_cod_original_cell_volume        9555(5)
_cod_database_code               7107185
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'
'-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
Dy1 Dy 0.75259(2) 0.06568(2) 0.70937(3) 0.02878(19) Uani 1 1 d .
S2 S 0.79905(12) -0.16869(12) 1.02042(16) 0.0314(6) Uani 1 1 d .
S1 S 0.70990(12) -0.21970(12) 0.87329(16) 0.0338(6) Uani 1 1 d .
S5 S 0.6481(2) 0.2523(2) 0.6222(3) 0.0783(13) Uani 1 1 d .
S3 S 0.8413(2) -0.12898(19) 0.6945(3) 0.0747(12) Uani 1 1 d .
O2 O 0.7980(3) 0.0120(3) 0.8444(4) 0.0304(16) Uani 1 1 d .
O1 O 0.7150(3) -0.0324(3) 0.7191(4) 0.0349(17) Uani 1 1 d .
O8 O 0.7222(3) 0.0335(3) 0.5741(4) 0.0366(18) Uani 1 1 d .
O7 O 0.7173(3) 0.1503(3) 0.6269(5) 0.0363(18) Uani 1 1 d .
Cl2 Cl 0.9546(3) 0.1177(3) 1.0180(5) 0.122(2) Uani 1 1 d .
S4 S 0.5421(2) 0.0634(3) 0.5674(4) 0.0977(18) Uani 1 1 d .
O4 O 0.8366(3) 0.1144(4) 0.7457(5) 0.0415(19) Uani 1 1 d .
O6 O 0.7471(3) 0.1234(4) 0.8142(5) 0.0416(19) Uani 1 1 d .
Cl1 Cl 0.9251(3) 0.2392(3) 1.0407(5) 0.127(2) Uani 1 1 d .
O5 O 0.6582(3) 0.0720(3) 0.6808(5) 0.0384(18) Uani 1 1 d .
O3 O 0.8168(4) -0.0054(4) 0.7064(5) 0.042(2) Uani 1 1 d .
C2 C 0.7845(4) -0.0400(5) 0.8547(6) 0.028(2) Uani 1 1 d .
C10 C 0.7160(5) -0.1264(5) 0.7774(6) 0.035(3) Uani 1 1 d .
C34 C 0.5861(4) 0.2226(5) 0.4673(7) 0.032(2) Uani 1 1 d .
H34 H 0.5721 0.2043 0.4156 0.038 Uiso 1 1 calc R
C8 C 0.7825(4) -0.1253(5) 0.9318(6) 0.028(2) Uani 1 1 d .
C4 C 0.8600(4) -0.0433(5) 1.0013(6) 0.030(2) Uani 1 1 d .
C1 C 0.7355(4) -0.0664(4) 0.7784(6) 0.028(2) Uani 1 1 d .
C3 C 0.8100(4) -0.0723(4) 0.9313(6) 0.023(2) Uani 1 1 d .
F7 F 0.7103(4) -0.0153(5) 0.4270(6) 0.081(3) Uani 1 1 d .
F9 F 0.6375(6) 0.0350(5) 0.3624(6) 0.125(5) Uani 1 1 d .
C38 C 0.6854(5) 0.0553(6) 0.5070(7) 0.039(3) Uani 1 1 d .
C9 C 0.7377(5) -0.1524(4) 0.8567(6) 0.030(2) Uani 1 1 d .
C20 C 0.8679(5) -0.0112(6) 0.7425(7) 0.040(3) Uani 1 1 d .
C19 C 0.8889(6) -0.0730(6) 0.7443(9) 0.052(4) Uani 1 1 d .
C22 C 0.8870(5) 0.0963(6) 0.7735(7) 0.043(3) Uani 1 1 d .
F8 F 0.6392(5) -0.0349(5) 0.4470(7) 0.092(3) Uani 1 1 d .
F1 F 0.9225(4) 0.1843(5) 0.8510(7) 0.097(4) Uani 1 1 d .
C30 C 0.7072(5) 0.1421(5) 0.8291(7) 0.040(3) Uani 1 1 d .
C21 C 0.9041(5) 0.0386(7) 0.7759(7) 0.048(3) Uani 1 1 d .
H21 H 0.9423 0.0311 0.8011 0.057 Uiso 1 1 calc R
C36 C 0.6756(4) 0.1541(5) 0.5570(7) 0.036(3) Uani 1 1 d .
C35 C 0.6379(5) 0.2062(6) 0.5446(9) 0.047(3) Uani 1 1 d .
F2 F 0.9813(3) 0.1302(5) 0.8277(8) 0.099(4) Uani 1 1 d .
C28 C 0.6283(5) 0.1013(6) 0.7067(8) 0.043(3) Uani 1 1 d .
C11 C 0.6737(7) -0.1558(6) 0.6973(8) 0.067(5) Uani 1 1 d .
C31 C 0.7232(6) 0.1757(6) 0.9079(8) 0.051(3) Uani 1 1 d .
C26 C 0.5242(7) 0.1323(10) 0.6664(13) 0.092(7) Uani 1 1 d .
H26 H 0.5284 0.1582 0.7095 0.111 Uiso 1 1 calc R
F5 F 0.7414(11) 0.2289(6) 0.9044(9) 0.198(11) Uani 1 1 d .
F3 F 0.9199(4) 0.1826(4) 0.7317(7) 0.086(3) Uani 1 1 d .
C7 C 0.8884(6) -0.0814(6) 1.0792(7) 0.047(3) Uani 1 1 d .
H7C H 0.9195 -0.0598 1.1189 0.071 Uiso 1 1 calc R
H7A H 0.9012 -0.1182 1.0655 0.071 Uiso 1 1 calc R
H7B H 0.8622 -0.0900 1.1021 0.071 Uiso 1 1 calc R
C39 C 0.6675(5) 0.0085(6) 0.4355(8) 0.049(3) Uani 1 1 d .
F6 F 0.7663(6) 0.1543(7) 0.9688(7) 0.153(7) Uani 1 1 d .
C5 C 0.9060(5) -0.0336(5) 0.9702(7) 0.039(3) Uani 1 1 d .
H5C H 0.9379 -0.0154 1.0131 0.059 Uiso 1 1 calc R
H5B H 0.8921 -0.0079 0.9227 0.059 Uiso 1 1 calc R
H5A H 0.9164 -0.0716 0.9556 0.059 Uiso 1 1 calc R
C24 C 0.4751(8) 0.0811(11) 0.5484(18) 0.119(10) Uani 1 1 d .
H24 H 0.4436 0.0665 0.5045 0.142 Uiso 1 1 calc R
C6 C 0.8430(6) 0.0172(5) 1.0277(8) 0.042(3) Uani 1 1 d .
H6C H 0.8750 0.0350 1.0710 0.063 Uiso 1 1 calc R
H6B H 0.8147 0.0100 1.0470 0.063 Uiso 1 1 calc R
H6A H 0.8287 0.0439 0.9812 0.063 Uiso 1 1 calc R
C23 C 0.9278(6) 0.1480(9) 0.7955(9) 0.065(4) Uani 1 1 d .
F4 F 0.6872(6) 0.1841(7) 0.9357(8) 0.133(5) Uani 1 1 d .
C37 C 0.6626(5) 0.1107(5) 0.4939(8) 0.046(3) Uani 1 1 d .
H37 H 0.6371 0.1208 0.4409 0.055 Uiso 1 1 calc R
C29 C 0.6514(6) 0.1352(6) 0.7828(8) 0.051(3) Uani 1 1 d .
H29 H 0.6270 0.1533 0.8011 0.061 Uiso 1 1 calc R
C27 C 0.5684(6) 0.1019(7) 0.6560(10) 0.061(4) Uani 1 1 d .
C12 C 0.6756(9) -0.1331(8) 0.6204(8) 0.095(8) Uani 1 1 d .
H12C H 0.6658 -0.0914 0.6137 0.143 Uiso 1 1 calc R
H12A H 0.6498 -0.1552 0.5739 0.143 Uiso 1 1 calc R
H12B H 0.7126 -0.1379 0.6237 0.143 Uiso 1 1 calc R
C18 C 0.9466(8) -0.0940(7) 0.7871(12) 0.075(6) Uani 1 1 d .
H18 H 0.9785 -0.0719 0.8179 0.090 Uiso 1 1 calc R
C14 C 0.6184(8) -0.143(2) 0.6919(15) 0.22(2) Uani 1 1 d .
H14C H 0.6119 -0.1005 0.6864 0.330 Uiso 1 1 calc R
H14B H 0.6158 -0.1569 0.7410 0.330 Uiso 1 1 calc R
H14A H 0.5910 -0.1630 0.6447 0.330 Uiso 1 1 calc R
C16 C 0.8900(10) -0.1811(10) 0.7212(14) 0.094(6) Uani 1 1 d .
H16 H 0.8827 -0.2210 0.7051 0.113 Uiso 1 1 calc R
C17 C 0.9417(10) -0.1597(8) 0.7689(15) 0.093(6) Uani 1 1 d .
H17 H 0.9726 -0.1848 0.7894 0.111 Uiso 1 1 calc R
C40 C 0.8984(10) 0.1665(11) 1.0059(18) 0.123(9) Uani 1 1 d .
H40A H 0.8722 0.1681 0.9483 0.148 Uiso 1 1 calc R
H40B H 0.8790 0.1516 1.0376 0.148 Uiso 1 1 calc R
C13 C 0.6882(12) -0.2236(9) 0.6931(12) 0.123(10) Uani 1 1 d .
H13C H 0.6889 -0.2441 0.7407 0.184 Uiso 1 1 calc R
H13A H 0.7240 -0.2267 0.6919 0.184 Uiso 1 1 calc R
H13B H 0.6604 -0.2413 0.6441 0.184 Uiso 1 1 calc R
C25 C 0.4747(9) 0.1171(13) 0.603(2) 0.133(10) Uani 1 1 d .
H25 H 0.4413 0.1329 0.5996 0.159 Uiso 1 1 calc R
C32 C 0.5937(11) 0.2925(9) 0.5705(19) 0.105(9) Uani 1 1 d .
H32 H 0.5843 0.3261 0.5930 0.126 Uiso 1 1 calc R
C15 C 0.7510(4) -0.2256(4) 0.9769(6) 0.028(2) Uani 1 1 d .
C33 C 0.5637(9) 0.2747(11) 0.4949(17) 0.104(8) Uani 1 1 d .
H33 H 0.5305 0.2935 0.4608 0.125 Uiso 1 1 calc R
Cl3 Cl 0.5108(5) 0.0709(10) 0.3337(10) 0.333(12) Uani 1 1 d .
C41 C 0.5000 0.022(2) 0.2500 0.30(5) Uani 1 2 d S
H41B H 0.4676 -0.0036 0.2380 0.354 Uiso 0.50 1 calc PR
H41A H 0.5324 -0.0036 0.2620 0.354 Uiso 0.50 1 calc PR
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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
O4 Dy1 O8 108.0(3) . .
O4 Dy1 O6 83.8(3) . .
O8 Dy1 O6 154.1(3) . .
O4 Dy1 O5 148.0(3) . .
O8 Dy1 O5 85.5(3) . .
O6 Dy1 O5 73.7(3) . .
O4 Dy1 O7 83.0(3) . .
O8 Dy1 O7 73.8(3) . .
O6 Dy1 O7 85.2(3) . .
O5 Dy1 O7 72.9(3) . .
O4 Dy1 O3 72.8(3) . .
O8 Dy1 O3 72.7(3) . .
O6 Dy1 O3 133.2(3) . .
O5 Dy1 O3 139.1(3) . .
O7 Dy1 O3 129.4(3) . .
O4 Dy1 O1 140.9(3) . .
O8 Dy1 O1 79.9(3) . .
O6 Dy1 O1 105.8(3) . .
O5 Dy1 O1 68.8(3) . .
O7 Dy1 O1 134.7(3) . .
O3 Dy1 O1 73.5(3) . .
O4 Dy1 O2 86.6(3) . .
O8 Dy1 O2 132.3(3) . .
O6 Dy1 O2 69.9(3) . .
O5 Dy1 O2 106.0(3) . .
O7 Dy1 O2 153.9(3) . .
O3 Dy1 O2 68.8(3) . .
O1 Dy1 O2 63.0(2) . .
C15 S2 C8 98.2(5) . .
C15 S1 C9 97.4(5) . .
C32 S5 C35 94.3(12) . .
C16 S3 C19 92.8(10) . .
C2 O2 Dy1 122.4(6) . .
C1 O1 Dy1 124.7(7) . .
C38 O8 Dy1 130.6(7) . .
C36 O7 Dy1 128.6(7) . .
C27 S4 C24 93.0(10) . .
C22 O4 Dy1 133.2(8) . .
C30 O6 Dy1 133.9(8) . .
C28 O5 Dy1 137.2(8) . .
C20 O3 Dy1 134.8(8) . .
O2 C2 C3 123.8(9) . .
O2 C2 C1 114.1(8) . .
C3 C2 C1 122.0(9) . .
C9 C10 C1 112.3(9) . .
C9 C10 C11 125.9(10) . .
C1 C10 C11 121.7(9) . .
C33 C34 C35 102.6(13) . .
C3 C8 C9 123.8(9) . .
C3 C8 S2 123.1(8) . .
C9 C8 S2 113.0(7) . .
C3 C4 C7 115.7(9) . .
C3 C4 C5 107.8(8) . .
C7 C4 C5 104.1(9) . .
C3 C4 C6 110.7(9) . .
C7 C4 C6 107.4(9) . .
C5 C4 C6 111.0(9) . .
O1 C1 C10 122.7(10) . .
O1 C1 C2 115.3(9) . .
C10 C1 C2 122.0(8) . .
C8 C3 C2 113.4(9) . .
C8 C3 C4 128.9(9) . .
C2 C3 C4 117.6(8) . .
O8 C38 C37 128.2(12) . .
O8 C38 C39 111.1(10) . .
C37 C38 C39 120.7(10) . .
C10 C9 C8 124.7(9) . .
C10 C9 S1 120.0(8) . .
C8 C9 S1 115.2(7) . .
O3 C20 C21 122.1(12) . .
O3 C20 C19 115.3(12) . .
C21 C20 C19 122.5(12) . .
C18 C19 C20 127.3(15) . .
C18 C19 S3 114.2(12) . .
C20 C19 S3 118.4(10) . .
O4 C22 C21 126.2(12) . .
O4 C22 C23 112.0(12) . .
C21 C22 C23 121.5(12) . .
O6 C30 C29 128.5(12) . .
O6 C30 C31 115.8(11) . .
C29 C30 C31 115.7(12) . .
C22 C21 C20 124.7(12) . .
O7 C36 C37 123.7(10) . .
O7 C36 C35 116.5(11) . .
C37 C36 C35 119.6(11) . .
C36 C35 C34 127.7(12) . .
C36 C35 S5 120.0(10) . .
C34 C35 S5 112.2(9) . .
O5 C28 C29 122.4(12) . .
O5 C28 C27 117.7(12) . .
C29 C28 C27 119.9(12) . .
C14 C11 C12 107(2) . .
C14 C11 C10 107.0(15) . .
C12 C11 C10 114.8(11) . .
C14 C11 C13 116(2) . .
C12 C11 C13 100.5(16) . .
C10 C11 C13 111.0(13) . .
F4 C31 F6 105.6(14) . .
F4 C31 F5 103.9(15) . .
F6 C31 F5 99.6(17) . .
F4 C31 C30 119.1(13) . .
F6 C31 C30 114.1(11) . .
F5 C31 C30 112.3(12) . .
C25 C26 C27 108.9(18) . .
F8 C39 F7 107.4(13) . .
F8 C39 F9 109.9(12) . .
F7 C39 F9 104.5(13) . .
F8 C39 C38 111.5(12) . .
F7 C39 C38 112.7(10) . .
F9 C39 C38 110.5(11) . .
C25 C24 S4 109.9(17) . .
F3 C23 F1 105.0(16) . .
F3 C23 F2 107.4(14) . .
F1 C23 F2 106.4(12) . .
F3 C23 C22 112.6(11) . .
F1 C23 C22 111.7(13) . .
F2 C23 C22 113.2(15) . .
C38 C37 C36 123.2(11) . .
C30 C29 C28 123.4(12) . .
C26 C27 C28 131.1(15) . .
C26 C27 S4 109.3(12) . .
C28 C27 S4 119.6(11) . .
C19 C18 C17 102.9(17) . .
C17 C16 S3 113.0(17) . .
C16 C17 C18 117.0(17) . .
Cl1 C40 Cl2 109.2(13) . .
C24 C25 C26 118.7(19) . .
C33 C32 S5 115.3(18) . .
C15 C15 S1 122.7(11) 7_647 .
C15 C15 S2 121.0(10) 7_647 .
S1 C15 S2 116.2(6) . .
C32 C33 C34 115.4(17) . .
Cl3 C41 Cl3 104(3) . 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O4 2.307(8) .
Dy1 O8 2.316(7) .
Dy1 O6 2.326(8) .
Dy1 O5 2.331(8) .
Dy1 O7 2.334(7) .
Dy1 O3 2.341(8) .
Dy1 O1 2.440(7) .
Dy1 O2 2.501(7) .
S2 C15 1.731(11) .
S2 C8 1.746(10) .
S1 C15 1.711(10) .
S1 C9 1.751(10) .
S5 C32 1.62(2) .
S5 C35 1.654(16) .
S3 C16 1.65(2) .
S3 C19 1.729(17) .
O2 C2 1.248(12) .
O1 C1 1.227(11) .
O8 C38 1.280(13) .
O7 C36 1.274(13) .
Cl2 C40 1.78(3) .
S4 C27 1.672(16) .
S4 C24 1.70(2) .
O4 C22 1.277(15) .
O6 C30 1.262(14) .
Cl1 C40 1.77(3) .
O5 C28 1.256(15) .
O3 C20 1.234(15) .
C2 C3 1.437(13) .
C2 C1 1.548(14) .
C10 C9 1.409(14) .
C10 C1 1.433(14) .
C10 C11 1.543(15) .
C34 C33 1.48(3) .
C34 C35 1.525(16) .
C8 C3 1.390(14) .
C8 C9 1.494(15) .
C4 C3 1.529(14) .
C4 C7 1.531(15) .
C4 C5 1.549(16) .
C4 C6 1.557(16) .
F7 C39 1.314(17) .
F9 C39 1.346(16) .
C38 C37 1.351(17) .
C38 C39 1.562(18) .
C20 C21 1.425(19) .
C20 C19 1.481(17) .
C19 C18 1.47(2) .
C22 C21 1.36(2) .
C22 C23 1.51(2) .
F8 C39 1.290(16) .
F1 C23 1.333(17) .
C30 C29 1.362(18) .
C30 C31 1.490(17) .
C36 C37 1.412(18) .
C36 C35 1.486(16) .
F2 C23 1.343(17) .
C28 C29 1.448(18) .
C28 C27 1.46(2) .
C11 C14 1.45(3) .
C11 C12 1.48(2) .
C11 C13 1.57(3) .
C31 F4 1.259(18) .
C31 F6 1.290(17) .
C31 F5 1.291(18) .
C26 C25 1.37(3) .
C26 C27 1.43(2) .
F3 C23 1.32(2) .
C24 C25 1.27(3) .
C18 C17 1.49(3) .
C16 C17 1.36(3) .
C32 C33 1.31(3) .
C15 C15 1.382(19) 7_647
Cl3 C41 1.78(3) .
C41 Cl3 1.78(3) 2_655
