#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:05:52 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179439 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/36/4333677.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_4333677
loop_
_publ_author_name
'Fabrice Pointillart'
'Boris Le Guennic'
'Olivier Maury'
'Stéphane Golhen'
'Olivier Cador'
'Lahcène Ouahab'
_publ_section_title
;
 Lanthanide Dinuclear Complexes Involving
 Tetrathiafulvalene-3-pyridine-N-oxide Ligand: Semiconductor Radical Salt,
 Magnetic, and Photophysical Studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1398
_journal_page_last               1408
_journal_paper_doi               10.1021/ic302095h
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C70 H38 Eu2 F18 N2 O14 S14'
_chemical_formula_weight         2224.0
_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                 103.876(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.3160(2)
_cell_length_b                   18.2710(5)
_cell_length_c                   18.9730(5)
_cell_measurement_reflns_used    19092
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     4817.9(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0480
_diffrn_reflns_av_sigmaI/netI    0.0432
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            36038
_diffrn_reflns_theta_full        27.36
_diffrn_reflns_theta_max         27.36
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    1.681
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_description       prism
_exptl_crystal_F_000             2192
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.180
_refine_diff_density_min         -0.876
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         10727
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.1040
_refine_ls_R_factor_gt           0.0620
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1136P)²+3.8188P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1674
_refine_ls_wR_factor_ref         0.2075
_reflns_number_gt                6816
_reflns_number_total             10727
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302095h_si_002_3.cif
_cod_data_source_block           import-fpr343
_cod_original_cell_volume        4817.7(2)
_cod_database_code               4333677
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 0.97267(2) 0.467376(17) 0.598884(16) 0.06035(15) Uani 1 1 d . . .
S4 S 0.51619(19) 0.39384(18) 0.29018(17) 0.1225(10) Uani 1 1 d . . .
S2 S 0.23748(19) 0.49977(19) 0.27743(18) 0.1150(8) Uani 1 1 d . . .
S1 S 0.2976(2) 0.38189(18) 0.19287(19) 0.1300(11) Uani 1 1 d . . .
S3 S 0.4562(2) 0.5105(2) 0.3781(2) 0.1274(11) Uani 1 1 d . . .
O1 O 0.9384(3) 0.4523(2) 0.4670(2) 0.0641(10) Uani 1 1 d . . .
S6 S 1.0587(3) 0.3816(2) 0.85654(18) 0.1464(13) Uani 1 1 d . . .
O5 O 0.8301(3) 0.3972(3) 0.5791(3) 0.0749(12) Uani 1 1 d . . .
S5 S 1.1014(3) 0.6412(3) 0.8051(2) 0.1607(15) Uani 1 1 d . . .
O3 O 0.8450(4) 0.5533(3) 0.5539(3) 0.0747(12) Uani 1 1 d . . .
O2 O 0.9963(4) 0.5704(3) 0.6755(3) 0.0734(12) Uani 1 1 d . . .
N1 N 0.8655(4) 0.4093(3) 0.4325(3) 0.0676(13) Uani 1 1 d . . .
O4 O 0.9621(4) 0.4172(3) 0.7111(3) 0.0780(13) Uani 1 1 d . . .
O7 O 1.0211(4) 0.3453(3) 0.5808(3) 0.0887(15) Uani 1 1 d . . .
O6 O 1.1338(4) 0.4542(3) 0.6629(3) 0.0846(14) Uani 1 1 d . . .
C2 C 0.1535(7) 0.4612(6) 0.2108(6) 0.111(3) Uani 1 1 d . . .
H2 H 0.0901 0.4773 0.2014 0.133 Uiso 1 1 calc R . .
C18 C 0.8258(6) 0.6163(4) 0.5738(4) 0.0761(18) Uani 1 1 d . . .
C26 C 0.8041(6) 0.3468(5) 0.6170(5) 0.082(2) Uani 1 1 d . . .
C24 C 0.9231(6) 0.3620(4) 0.7314(4) 0.0770(19) Uani 1 1 d . . .
C16 C 0.9575(6) 0.6308(5) 0.6826(4) 0.0794(19) Uani 1 1 d . . .
C25 C 0.8434(7) 0.3250(5) 0.6862(4) 0.088(2) Uani 1 1 d . . .
H25 H 0.8175 0.2847 0.7046 0.105 Uiso 1 1 calc R . .
C11 C 0.7768(5) 0.4367(4) 0.4160(4) 0.0703(16) Uani 1 1 d . . .
H11 H 0.7663 0.4845 0.4291 0.084 Uiso 1 1 calc R . .
C23 C 0.9604(6) 0.3384(5) 0.8069(5) 0.089(2) Uani 1 1 d . . .
F4 F 0.6487(5) 0.3479(4) 0.5373(5) 0.152(3) Uani 1 1 d . . .
C34 C 1.0838(7) 0.3035(5) 0.6207(5) 0.092(2) Uani 1 1 d . A .
C7 C 0.6993(6) 0.3942(4) 0.3791(4) 0.0783(19) Uani 1 1 d . . .
C20 C 1.0573(11) 0.3277(9) 0.9271(7) 0.137(4) Uani 1 1 d . . .
H20 H 1.1045 0.3318 0.9702 0.165 Uiso 1 1 calc R . .
F6 F 0.6762(5) 0.2623(5) 0.6106(5) 0.171(3) Uani 1 1 d . . .
C19 C 0.7380(7) 0.6508(5) 0.5254(6) 0.099(3) Uani 1 1 d . . .
C27 C 0.7158(8) 0.3064(6) 0.5749(6) 0.096(3) Uani 1 1 d . . .
C10 C 0.8854(6) 0.3406(4) 0.4150(5) 0.083(2) Uani 1 1 d . . .
H10 H 0.9477 0.3222 0.4282 0.099 Uiso 1 1 calc R . .
C4 C 0.4199(7) 0.4480(5) 0.3044(6) 0.103(3) Uani 1 1 d . . .
C22 C 0.9133(8) 0.2781(5) 0.8456(4) 0.105(3) Uani 1 1 d . . .
H22 H 0.8580 0.2504 0.8288 0.126 Uiso 1 1 calc R . .
C17 C 0.8757(6) 0.6573(4) 0.6327(5) 0.086(2) Uani 1 1 d . . .
H17 H 0.8539 0.7042 0.6393 0.103 Uiso 1 1 calc R . .
C32 C 1.1827(6) 0.3996(6) 0.6916(5) 0.094(2) Uani 1 1 d . A .
C6 C 0.6012(6) 0.4252(5) 0.3650(5) 0.084(2) Uani 1 1 d . . .
C31 C 1.2727(8) 0.4193(8) 0.7493(7) 0.120(4) Uani 1 1 d . . .
C14 C 0.9607(7) 0.7496(5) 0.7675(5) 0.100(3) Uani 1 1 d . . .
H14 H 0.9068 0.7765 0.7448 0.120 Uiso 1 1 calc R . .
F5 F 0.7383(6) 0.2640(5) 0.5254(6) 0.185(4) Uani 1 1 d . . .
F3 F 0.7267(7) 0.7191(4) 0.5303(5) 0.180(4) Uani 1 1 d . . .
C9 C 0.8096(8) 0.2984(5) 0.3765(5) 0.101(3) Uani 1 1 d . . .
H9 H 0.8211 0.2513 0.3620 0.121 Uiso 1 1 calc R . .
C15 C 1.0042(6) 0.6746(5) 0.7472(5) 0.092(2) Uani 1 1 d . . .
C3 C 0.3302(7) 0.4429(5) 0.2653(6) 0.097(3) Uani 1 1 d . . .
C8 C 0.7146(7) 0.3269(5) 0.3593(5) 0.092(2) Uani 1 1 d . . .
H8 H 0.6636 0.2983 0.3343 0.111 Uiso 1 1 calc R . .
C33 C 1.1620(7) 0.3255(6) 0.6759(6) 0.102(3) Uani 1 1 d . . .
H33 H 1.2014 0.2900 0.7030 0.122 Uiso 1 1 calc R A .
C12 C 1.1085(13) 0.7059(12) 0.8609(9) 0.176(7) Uani 1 1 d . . .
H12 H 1.1541 0.7075 0.9051 0.212 Uiso 1 1 calc R . .
C13 C 1.0384(13) 0.7620(11) 0.8374(10) 0.180(7) Uani 1 1 d . . .
H13 H 1.0400 0.8049 0.8640 0.216 Uiso 1 1 calc R . .
C5 C 0.5737(7) 0.4789(6) 0.4041(6) 0.108(3) Uani 1 1 d . . .
H5 H 0.6167 0.4986 0.4443 0.130 Uiso 1 1 calc R . .
F2 F 0.6602(6) 0.6210(7) 0.5372(6) 0.197(4) Uani 1 1 d . . .
C1 C 0.1783(7) 0.4066(7) 0.1710(6) 0.115(3) Uani 1 1 d . . .
H1 H 0.1335 0.3837 0.1339 0.138 Uiso 1 1 calc R . .
C21 C 0.9867(11) 0.2785(8) 0.9202(7) 0.139(4) Uani 1 1 d . . .
H21 H 0.9820 0.2468 0.9575 0.167 Uiso 1 1 calc R . .
F1 F 0.7255(6) 0.6333(5) 0.4572(4) 0.162(3) Uani 1 1 d . . .
C35 C 1.0684(11) 0.2246(7) 0.6023(8) 0.116(3) Uani 1 1 d . . .
C28A C 0.996(3) 0.1043(17) 0.554(3) 0.176(17) Uani 0.444(14) 1 d P A 1
H28A H 0.9608 0.0662 0.5273 0.212 Uiso 0.444(14) 1 calc PR A 1
C29A C 1.080(8) 0.096(2) 0.610(3) 0.32(5) Uani 0.444(14) 1 d P A 1
H29A H 1.1092 0.0512 0.6236 0.384 Uiso 0.444(14) 1 calc PR A 1
C30A C 1.123(6) 0.174(4) 0.649(4) 0.20(4) Uani 0.444(14) 1 d P A 1
H30A H 1.1714 0.1819 0.6911 0.234 Uiso 0.444(14) 1 calc PR A 1
S7A S 0.9679(10) 0.1947(6) 0.5424(10) 0.168(5) Uani 0.444(14) 1 d P A 1
F9A F 1.240(3) 0.445(5) 0.791(2) 0.41(5) Uani 0.444(14) 1 d P A 1
F7A F 1.3320(13) 0.443(2) 0.7188(17) 0.25(2) Uani 0.444(14) 1 d P A 1
F8A F 1.298(2) 0.3582(17) 0.788(2) 0.30(3) Uani 0.444(14) 1 d P A 1
F8 F 1.078(2) 0.2156(7) 0.5337(13) 0.231(12) Uani 0.556(14) 1 d P A 2
F7 F 1.0006(17) 0.2009(9) 0.6114(16) 0.174(8) Uani 0.556(14) 1 d P A 2
C29 C 1.4236(18) 0.428(2) 0.838(3) 0.22(2) Uani 0.556(14) 1 d P A 2
H29 H 1.4834 0.4129 0.8659 0.270 Uiso 0.556(14) 1 calc PR A 2
C28 C 1.397(3) 0.483(2) 0.844(2) 0.22(2) Uani 0.556(14) 1 d P A 2
H28 H 1.4288 0.5170 0.8781 0.261 Uiso 0.556(14) 1 calc PR A 2
C30 C 1.3554(17) 0.3718(16) 0.7811(16) 0.133(10) Uani 0.556(14) 1 d P A 2
H30 H 1.3660 0.3231 0.7712 0.159 Uiso 0.556(14) 1 calc PR A 2
F9 F 1.136(2) 0.1752(13) 0.6281(18) 0.186(11) Uani 0.556(14) 1 d P A 2
S7 S 1.2917(7) 0.5014(5) 0.7832(6) 0.149(4) Uani 0.556(14) 1 d P A 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'
S S 0.1246 0.1234 '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'
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
O6 Eu1 O2 77.57(19) . .
O6 Eu1 O4 76.16(19) . .
O2 Eu1 O4 77.50(18) . .
O6 Eu1 O5 136.95(18) . .
O2 Eu1 O5 121.52(18) . .
O4 Eu1 O5 72.07(17) . .
O6 Eu1 O7 72.3(2) . .
O2 Eu1 O7 146.45(18) . .
O4 Eu1 O7 81.34(19) . .
O5 Eu1 O7 74.9(2) . .
O6 Eu1 O3 145.01(19) . .
O2 Eu1 O3 71.42(17) . .
O4 Eu1 O3 111.50(18) . .
O5 Eu1 O3 75.17(19) . .
O7 Eu1 O3 141.43(19) . .
O6 Eu1 O1 116.64(19) . .
O2 Eu1 O1 133.31(16) . .
O4 Eu1 O1 147.09(16) . .
O5 Eu1 O1 79.79(15) . .
O7 Eu1 O1 75.03(17) . .
O3 Eu1 O1 76.24(16) . .
O6 Eu1 O1 76.17(18) . 3_766
O2 Eu1 O1 79.79(16) . 3_766
O4 Eu1 O1 147.28(16) . 3_766
O5 Eu1 O1 140.56(16) . 3_766
O7 Eu1 O1 106.29(18) . 3_766
O3 Eu1 O1 82.69(17) . 3_766
O1 Eu1 O1 63.29(17) . 3_766
O6 Eu1 Eu1 96.95(15) . 3_766
O2 Eu1 Eu1 107.24(12) . 3_766
O4 Eu1 Eu1 170.82(13) . 3_766
O5 Eu1 Eu1 110.62(12) . 3_766
O7 Eu1 Eu1 90.83(14) . 3_766
O3 Eu1 Eu1 77.63(13) . 3_766
O1 Eu1 Eu1 31.81(10) . 3_766
O1 Eu1 Eu1 31.48(10) 3_766 3_766
C6 S4 C4 96.3(5) . .
C2 S2 C3 94.6(5) . .
C1 S1 C3 94.9(5) . .
C5 S3 C4 95.2(5) . .
N1 O1 Eu1 120.4(3) . .
N1 O1 Eu1 122.3(3) . 3_766
Eu1 O1 Eu1 116.71(17) . 3_766
C20 S6 C23 90.1(7) . .
C26 O5 Eu1 131.3(5) . .
C12 S5 C15 94.4(9) . .
C18 O3 Eu1 133.7(5) . .
C16 O2 Eu1 140.0(5) . .
C11 N1 O1 118.7(6) . .
C11 N1 C10 122.7(6) . .
O1 N1 C10 118.6(6) . .
C24 O4 Eu1 135.9(5) . .
C34 O7 Eu1 131.3(6) . .
C32 O6 Eu1 132.6(6) . .
C1 C2 S2 119.7(8) . .
O3 C18 C17 128.6(7) . .
O3 C18 C19 114.1(7) . .
C17 C18 C19 117.2(7) . .
O5 C26 C25 130.3(8) . .
O5 C26 C27 111.9(7) . .
C25 C26 C27 117.8(8) . .
O4 C24 C25 123.2(7) . .
O4 C24 C23 116.7(8) . .
C25 C24 C23 120.0(7) . .
O2 C16 C17 123.4(7) . .
O2 C16 C15 116.0(8) . .
C17 C16 C15 120.6(8) . .
C26 C25 C24 122.0(7) . .
N1 C11 C7 120.5(7) . .
C24 C23 C22 124.6(8) . .
C24 C23 S6 117.8(6) . .
C22 C23 S6 117.6(6) . .
O7 C34 C33 126.6(9) . .
O7 C34 C35 113.3(10) . .
C33 C34 C35 120.1(9) . .
C8 C7 C11 119.7(8) . .
C8 C7 C6 121.4(7) . .
C11 C7 C6 118.9(7) . .
C21 C20 S6 118.3(10) . .
F3 C19 F1 108.9(10) . .
F3 C19 F2 105.6(9) . .
F1 C19 F2 98.5(10) . .
F3 C19 C18 118.1(9) . .
F1 C19 C18 113.5(7) . .
F2 C19 C18 110.1(9) . .
F6 C27 F4 107.3(9) . .
F6 C27 F5 103.0(9) . .
F4 C27 F5 103.2(10) . .
F6 C27 C26 116.7(9) . .
F4 C27 C26 114.8(8) . .
F5 C27 C26 110.3(9) . .
N1 C10 C9 117.6(8) . .
C3 C4 S4 124.2(8) . .
C3 C4 S3 123.1(8) . .
S4 C4 S3 112.7(6) . .
C21 C22 C23 98.7(9) . .
C18 C17 C16 122.7(7) . .
O6 C32 C33 127.1(9) . .
O6 C32 C31 114.1(10) . .
C33 C32 C31 118.8(9) . .
C5 C6 C7 124.9(8) . .
C5 C6 S4 116.9(7) . .
C7 C6 S4 118.1(6) . .
F9A C31 F7A 130(5) . .
F9A C31 F8A 94(5) . .
F7A C31 F8A 116(3) . .
F9A C31 C30 113(3) . .
F7A C31 C30 79.9(18) . .
F8A C31 C30 36.7(19) . .
F9A C31 C32 101(3) . .
F7A C31 C32 108.1(16) . .
F8A C31 C32 106.0(14) . .
C30 C31 C32 127.9(16) . .
F9A C31 S7 52(5) . .
F7A C31 S7 78(2) . .
F8A C31 S7 123.3(19) . .
C30 C31 S7 109.7(13) . .
C32 C31 S7 122.3(8) . .
C13 C14 C15 95.3(10) . .
C10 C9 C8 120.1(8) . .
C16 C15 C14 122.7(8) . .
C16 C15 S5 119.2(7) . .
C14 C15 S5 117.9(6) . .
C4 C3 S1 121.9(8) . .
C4 C3 S2 123.4(8) . .
S1 C3 S2 114.6(6) . .
C7 C8 C9 119.5(8) . .
C34 C33 C32 121.8(8) . .
C13 C12 S5 113.7(12) . .
C12 C13 C14 118.4(12) . .
C6 C5 S3 118.6(8) . .
C2 C1 S1 116.0(9) . .
C20 C21 C22 115.1(11) . .
F7 C35 F9 105(2) . .
F7 C35 F8 113(2) . .
F9 C35 F8 92.2(19) . .
F7 C35 C30A 91(4) . .
F9 C35 C30A 20(3) . .
F8 C35 C30A 111(3) . .
F7 C35 C34 115.3(15) . .
F9 C35 C34 121.1(18) . .
F8 C35 C34 107.5(12) . .
C30A C35 C34 118(4) . .
F7 C35 S7A 49.3(16) . .
F9 C35 S7A 117.1(16) . .
F8 C35 S7A 65.1(14) . .
C30A C35 S7A 118(4) . .
C34 C35 S7A 121.6(9) . .
C29A C28A S7A 109(3) . .
C28A C29A C30A 114(4) . .
C35 C30A C29A 101(6) . .
C35 S7A C28A 95(2) . .
C28 C29 C30 118(3) . .
C29 C28 S7 113(4) . .
C31 C30 C29 101(2) . .
C31 S7 C28 97.3(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O6 2.347(5) .
Eu1 O2 2.353(5) .
Eu1 O4 2.356(5) .
Eu1 O5 2.363(5) .
Eu1 O7 2.385(5) .
Eu1 O3 2.405(5) .
Eu1 O1 2.447(4) .
Eu1 O1 2.470(4) 3_766
Eu1 Eu1 4.1858(11) 3_766
S4 C6 1.732(8) .
S4 C4 1.769(10) .
S2 C2 1.677(12) .
S2 C3 1.745(10) .
S1 C1 1.719(10) .
S1 C3 1.743(10) .
S3 C5 1.734(11) .
S3 C4 1.785(10) .
O1 N1 1.345(7) .
O1 Eu1 2.470(4) 3_766
S6 C20 1.666(13) .
S6 C23 1.690(10) .
O5 C26 1.277(9) .
S5 C12 1.574(15) .
S5 C15 1.669(11) .
O3 C18 1.263(9) .
O2 C16 1.257(9) .
N1 C11 1.331(9) .
N1 C10 1.346(10) .
O4 C24 1.256(9) .
O7 C34 1.279(10) .
O6 C32 1.265(10) .
C2 C1 1.349(14) .
C18 C17 1.391(11) .
C18 C19 1.505(12) .
C26 C25 1.358(11) .
C26 C27 1.515(12) .
C24 C25 1.423(12) .
C24 C23 1.469(11) .
C16 C17 1.404(12) .
C16 C15 1.482(11) .
C11 C7 1.396(10) .
C23 C22 1.563(13) .
F4 C27 1.296(12) .
C34 C33 1.396(14) .
C34 C35 1.487(16) .
C7 C8 1.321(12) .
C7 C6 1.478(12) .
C20 C21 1.336(18) .
F6 C27 1.271(10) .
C19 F3 1.265(11) .
C19 F1 1.303(12) .
C19 F2 1.306(13) .
C27 F5 1.316(12) .
C10 C9 1.389(12) .
C4 C3 1.322(13) .
C22 C21 1.547(15) .
C32 C33 1.403(14) .
C32 C31 1.520(15) .
C6 C5 1.344(13) .
C31 F9A 1.11(3) .
C31 F7A 1.22(2) .
C31 F8A 1.34(2) .
C31 C30 1.48(2) .
C31 S7 1.631(19) .
C14 C13 1.530(19) .
C14 C15 1.590(12) .
C9 C8 1.420(13) .
C12 C13 1.43(2) .
C35 F7 1.114(18) .
C35 F9 1.33(2) .
C35 F8 1.35(2) .
C35 C30A 1.39(5) .
C35 S7A 1.70(2) .
C28A C29A 1.42(9) .
C28A S7A 1.70(3) .
C29A C30A 1.65(10) .
C29 C28 1.10(5) .
C29 C30 1.64(5) .
C28 S7 1.69(3) .
