#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/36/4333679.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_4333679
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            'C70.5 H39 Cl F18 N2 O14 S14 Tb2'
_chemical_formula_weight         2280.3
_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                 103.0129(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.0934(6)
_cell_length_b                   18.0179(8)
_cell_length_c                   18.7426(8)
_cell_measurement_reflns_used    9908
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.81
_cell_measurement_theta_min      2.34
_cell_volume                     4637.1(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0431
_diffrn_reflns_av_sigmaI/netI    0.0469
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            38325
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    1.949
_exptl_absorpt_correction_T_max  0.8528
_exptl_absorpt_correction_T_min  0.8528
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_description       prism
_exptl_crystal_F_000             2244
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.808
_refine_diff_density_min         -1.178
_refine_diff_density_rms         0.335
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     617
_refine_ls_number_reflns         10653
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0856
_refine_ls_R_factor_gt           0.0540
_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)+(0.1197P)²+7.4698P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1712
_refine_ls_wR_factor_ref         0.2060
_reflns_number_gt                7667
_reflns_number_total             10653
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302095h_si_002_5.cif
_cod_data_source_block           import-fpr372
_cod_original_cell_volume        4637.1(5)
_cod_original_formula_sum        'C70.5 H39 Cl1 F18 N2 O14 S14 Tb2'
_cod_database_code               4333679
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
Tb1 Tb 0.97293(2) 0.466915(16) 0.098923(16) 0.03430(13) Uani 1 1 d . . .
S1 S 0.29466(19) 0.38494(16) -0.31279(16) 0.0839(8) Uani 1 1 d . . .
S3 S 0.51491(17) 0.39674(16) -0.21414(15) 0.0790(8) Uani 1 1 d . . .
S2 S 0.23139(17) 0.50257(15) -0.22488(14) 0.0693(6) Uani 1 1 d . . .
S4 S 0.45139(18) 0.51417(16) -0.12426(16) 0.0753(7) Uani 1 1 d . . .
S6 S 1.1048(2) 0.6426(2) 0.30475(17) 0.0955(9) Uani 1 1 d . . .
S5 S 1.0600(2) 0.38316(18) 0.35864(14) 0.0826(8) Uani 1 1 d . . .
O1 O 0.9393(3) 0.4521(2) -0.0326(2) 0.0367(10) Uani 1 1 d . . .
O4 O 0.9974(3) 0.5705(3) 0.1760(2) 0.0410(10) Uani 1 1 d . . .
O5 O 0.8452(3) 0.5522(3) 0.0546(3) 0.0413(10) Uani 1 1 d . . .
O3 O 0.8305(3) 0.3960(3) 0.0792(3) 0.0434(11) Uani 1 1 d . . .
O2 O 0.9630(3) 0.4157(3) 0.2111(3) 0.0444(11) Uani 1 1 d . . .
N1 N 0.8640(4) 0.4086(3) -0.0673(3) 0.0391(12) Uani 1 1 d . . .
O7 O 1.0213(4) 0.3451(3) 0.0797(3) 0.0513(12) Uani 1 1 d . . .
O6 O 1.1347(4) 0.4541(3) 0.1635(3) 0.0497(12) Uani 1 1 d . . .
F1 F 0.6731(4) 0.2595(4) 0.1126(3) 0.098(2) Uani 1 1 d . . .
F6 F 0.7245(5) 0.7220(3) 0.0309(4) 0.095(2) Uani 1 1 d . . .
C16 C 0.9237(5) 0.3601(4) 0.2306(4) 0.0465(16) Uani 1 1 d . . .
F4 F 0.6540(4) 0.6192(4) 0.0398(4) 0.0910(19) Uani 1 1 d . . .
F3 F 0.6494(4) 0.3456(3) 0.0346(3) 0.0832(17) Uani 1 1 d . . .
F5 F 0.7259(4) 0.6338(3) -0.0439(3) 0.0817(16) Uani 1 1 d . . .
C15 C 0.9620(6) 0.3361(5) 0.3080(4) 0.056(2) Uani 1 1 d . . .
C2 C 0.1457(7) 0.4621(5) -0.2922(6) 0.066(2) Uani 1 1 d . . .
H2 H 0.0812 0.4777 -0.3007 0.079 Uiso 1 1 calc R . .
C17 C 0.8452(6) 0.3217(5) 0.1856(4) 0.0559(19) Uani 1 1 d . . .
H17 H 0.8205 0.2797 0.2038 0.067 Uiso 1 1 calc R . .
C22 C 0.9582(6) 0.7535(5) 0.2679(4) 0.058(2) Uani 1 1 d . . .
H22 H 0.9042 0.7811 0.2449 0.069 Uiso 1 1 calc R . .
C7 C 0.6971(5) 0.3944(4) -0.1201(4) 0.0467(16) Uani 1 1 d . . .
C6 C 0.5981(5) 0.4270(4) -0.1352(4) 0.0499(17) Uani 1 1 d . . .
C27 C 0.7332(6) 0.6490(5) 0.0255(4) 0.0538(19) Uani 1 1 d . . .
C24 C 0.9572(5) 0.6316(4) 0.1828(4) 0.0435(15) Uani 1 1 d . . .
C23 C 1.0033(6) 0.6772(5) 0.2468(4) 0.0529(19) Uani 1 1 d . . .
C25 C 0.8743(5) 0.6582(4) 0.1324(4) 0.0477(17) Uani 1 1 d . . .
H25 H 0.8516 0.7057 0.1386 0.057 Uiso 1 1 calc R . .
F2 F 0.7443(5) 0.2568(4) 0.0245(4) 0.111(2) Uani 1 1 d . . .
C19 C 0.7168(6) 0.3015(5) 0.0733(5) 0.059(2) Uani 1 1 d . . .
C35 C 1.0703(9) 0.2221(5) 0.0972(6) 0.076(3) Uani 1 1 d . . .
C18 C 0.8048(5) 0.3447(4) 0.1161(4) 0.0479(17) Uani 1 1 d . . .
C9 C 0.8090(6) 0.2953(4) -0.1213(5) 0.060(2) Uani 1 1 d . . .
H9 H 0.8211 0.2469 -0.1340 0.072 Uiso 1 1 calc R . .
C8 C 0.7155(6) 0.3228(5) -0.1400(5) 0.057(2) Uani 1 1 d . . .
H8 H 0.6650 0.2935 -0.1659 0.069 Uiso 1 1 calc R . .
C34 C 1.0856(7) 0.3027(4) 0.1196(5) 0.057(2) Uani 1 1 d . A .
C26 C 0.8265(5) 0.6162(4) 0.0746(4) 0.0426(15) Uani 1 1 d . . .
C4 C 0.4173(6) 0.4519(5) -0.1983(5) 0.061(2) Uani 1 1 d . . .
C11 C 0.7752(5) 0.4366(4) -0.0838(4) 0.0422(15) Uani 1 1 d . . .
H11 H 0.7650 0.4852 -0.0708 0.051 Uiso 1 1 calc R . .
C5 C 0.5693(7) 0.4793(6) -0.0957(5) 0.067(2) Uani 1 1 d . . .
H5 H 0.6109 0.4972 -0.0535 0.081 Uiso 1 1 calc R . .
C3 C 0.3265(6) 0.4468(5) -0.2394(5) 0.059(2) Uani 1 1 d . . .
C10 C 0.8849(6) 0.3382(4) -0.0840(4) 0.0491(17) Uani 1 1 d . . .
H10 H 0.9480 0.3197 -0.0707 0.059 Uiso 1 1 calc R . .
C20 C 1.1072(8) 0.7148(7) 0.3601(6) 0.090(4) Uani 1 1 d . . .
H20 H 1.1554 0.7200 0.4027 0.108 Uiso 1 1 calc R . .
C32 C 1.1848(6) 0.3987(5) 0.1924(4) 0.056(2) Uani 1 1 d . A .
C31 C 1.2741(7) 0.4158(6) 0.2472(6) 0.067(2) Uani 1 1 d . . .
C14 C 0.9188(8) 0.2743(6) 0.3477(4) 0.077(3) Uani 1 1 d . . .
H14 H 0.8644 0.2444 0.3314 0.092 Uiso 1 1 calc R . .
C13 C 0.9906(8) 0.2764(7) 0.4210(6) 0.089(3) Uani 1 1 d . . .
H13 H 0.9871 0.2424 0.4576 0.106 Uiso 1 1 calc R . .
C1 C 0.1709(7) 0.4086(6) -0.3323(5) 0.069(2) Uani 1 1 d . . .
H1 H 0.1256 0.3847 -0.3689 0.082 Uiso 1 1 calc R . .
C12 C 1.0581(8) 0.3282(6) 0.4310(6) 0.081(3) Uani 1 1 d . . .
H12 H 1.1023 0.3342 0.4756 0.098 Uiso 1 1 calc R . .
C33 C 1.1619(6) 0.3243(5) 0.1750(5) 0.061(2) Uani 1 1 d . . .
H33 H 1.2003 0.2877 0.2023 0.073 Uiso 1 1 calc R A .
C21 C 1.0363(9) 0.7654(7) 0.3404(6) 0.093(4) Uani 1 1 d . . .
H21 H 1.0338 0.8068 0.3694 0.112 Uiso 1 1 calc R . .
C36 C 1.792(4) 0.4232(18) 0.444(3) 0.100(18) Uani 0.25 1 d P . .
H36B H 1.8321 0.3791 0.4558 0.121 Uiso 0.50 1 calc PR . .
H36A H 1.8198 0.4499 0.4091 0.121 Uiso 0.50 1 calc PR . .
Cl1 Cl 1.6876(11) 0.3864(9) 0.3880(15) 0.164(9) Uani 0.25 1 d P . .
Cl2 Cl 1.827(3) 0.4683(10) 0.5113(8) 0.231(18) Uani 0.25 1 d P . .
C29 C 1.4300(16) 0.4110(14) 0.3268(16) 0.154(11) Uani 0.716(9) 1 d P A 1
H29 H 1.4919 0.3919 0.3454 0.184 Uiso 0.716(9) 1 calc PR A 1
C30 C 1.3559(12) 0.3719(12) 0.2771(11) 0.094(6) Uani 0.716(9) 1 d P A 1
H30 H 1.3609 0.3220 0.2655 0.113 Uiso 0.716(9) 1 calc PR A 1
C28 C 1.4020(16) 0.4771(13) 0.3439(15) 0.130(9) Uani 0.716(9) 1 d P A 1
H28 H 1.4366 0.5060 0.3821 0.157 Uiso 0.716(9) 1 calc PR A 1
F8 F 1.0804(11) 0.2153(5) 0.0276(6) 0.133(5) Uani 0.716(9) 1 d P A 1
F7 F 0.9914(9) 0.1987(5) 0.1028(8) 0.112(4) Uani 0.716(9) 1 d P A 1
F9 F 1.1366(17) 0.1769(10) 0.1340(14) 0.158(9) Uani 0.716(9) 1 d P A 1
S7 S 1.2923(4) 0.5038(3) 0.2864(3) 0.0981(18) Uani 0.716(9) 1 d P A 1
S7A S 0.9624(10) 0.1899(6) 0.0366(8) 0.096(4) Uani 0.284(9) 1 d P A 2
C28A C 0.981(4) 0.100(3) 0.042(3) 0.115(16) Uiso 0.284(9) 1 d P A 2
H28A H 0.9425 0.0635 0.0145 0.138 Uiso 0.284(9) 1 calc PR A 2
F9A F 1.246(3) 0.462(2) 0.284(2) 0.151(16) Uani 0.284(9) 1 d P A 2
C29A C 1.075(4) 0.088(4) 0.102(3) 0.14(2) Uiso 0.284(9) 1 d P A 2
H29A H 1.0970 0.0411 0.1183 0.169 Uiso 0.284(9) 1 calc PR A 2
F8A F 1.3347(15) 0.4416(17) 0.2150(16) 0.123(12) Uani 0.284(9) 1 d P A 2
F7A F 1.302(2) 0.3582(15) 0.2874(18) 0.121(13) Uani 0.284(9) 1 d P A 2
C30A C 1.140(4) 0.168(4) 0.139(3) 0.065(13) Uiso 0.284(9) 1 d P A 2
H30A H 1.1978 0.1747 0.1734 0.078 Uiso 0.284(9) 1 calc PR 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'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 '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_3
O2 Tb1 O4 77.83(17) .
O2 Tb1 O3 72.68(16) .
O4 Tb1 O3 122.43(17) .
O2 Tb1 O6 75.13(17) .
O4 Tb1 O6 76.62(18) .
O3 Tb1 O6 136.86(17) .
O2 Tb1 O7 81.21(18) .
O4 Tb1 O7 146.42(17) .
O3 Tb1 O7 74.55(18) .
O6 Tb1 O7 72.80(19) .
O2 Tb1 O5 112.20(17) .
O4 Tb1 O5 72.13(16) .
O3 Tb1 O5 75.04(17) .
O6 Tb1 O5 145.09(17) .
O7 Tb1 O5 140.85(17) .
O2 Tb1 O1 147.03(16) .
O4 Tb1 O1 133.28(15) .
O3 Tb1 O1 79.31(15) .
O6 Tb1 O1 117.43(17) .
O7 Tb1 O1 74.78(16) .
O5 Tb1 O1 75.85(16) .
O2 Tb1 O1 147.27(15) 3_765
O4 Tb1 O1 79.35(15) 3_765
O3 Tb1 O1 139.97(15) 3_765
O6 Tb1 O1 76.99(17) 3_765
O7 Tb1 O1 106.49(17) 3_765
O5 Tb1 O1 82.25(17) 3_765
O1 Tb1 O1 63.24(17) 3_765
C3 S1 C1 94.4(4) .
C6 S3 C4 94.7(4) .
C2 S2 C3 94.6(4) .
C5 S4 C4 94.8(4) .
C20 S6 C23 90.4(5) .
C12 S5 C15 89.9(5) .
N1 O1 Tb1 120.2(3) .
N1 O1 Tb1 122.3(3) 3_765
Tb1 O1 Tb1 116.76(17) 3_765
C24 O4 Tb1 139.0(4) .
C26 O5 Tb1 133.1(4) .
C18 O3 Tb1 131.3(5) .
C16 O2 Tb1 135.1(5) .
C11 N1 C10 123.3(6) .
C11 N1 O1 119.2(6) .
C10 N1 O1 117.5(6) .
C34 O7 Tb1 130.9(5) .
C32 O6 Tb1 132.9(5) .
O2 C16 C17 124.1(7) .
O2 C16 C15 115.7(7) .
C17 C16 C15 120.1(7) .
C16 C15 C14 125.7(8) .
C16 C15 S5 117.7(6) .
C14 C15 S5 116.6(6) .
C1 C2 S2 119.9(7) .
C18 C17 C16 121.6(7) .
C21 C22 C23 95.2(8) .
C8 C7 C11 117.9(7) .
C8 C7 C6 122.9(7) .
C11 C7 C6 119.2(7) .
C5 C6 C7 124.9(7) .
C5 C6 S3 117.6(7) .
C7 C6 S3 117.4(6) .
F5 C27 F4 103.6(7) .
F5 C27 F6 107.1(7) .
F4 C27 F6 106.9(7) .
F5 C27 C26 112.2(6) .
F4 C27 C26 111.7(7) .
F6 C27 C26 114.5(7) .
O4 C24 C25 123.6(6) .
O4 C24 C23 116.3(6) .
C25 C24 C23 120.0(7) .
C24 C23 C22 123.4(7) .
C24 C23 S6 117.7(6) .
C22 C23 S6 118.6(5) .
C26 C25 C24 121.8(7) .
F1 C19 F3 106.6(7) .
F1 C19 F2 106.4(8) .
F3 C19 F2 105.6(8) .
F1 C19 C18 115.5(7) .
F3 C19 C18 112.2(7) .
F2 C19 C18 109.9(7) .
F7 C35 F9 107.2(14) .
F7 C35 F8 110.5(13) .
F9 C35 F8 103.5(14) .
F7 C35 C30A 104(2) .
F9 C35 C30A 4(3) .
F8 C35 C30A 105(2) .
F7 C35 C34 112.6(9) .
F9 C35 C34 114.2(14) .
F8 C35 C34 108.5(8) .
C30A C35 C34 117(3) .
F7 C35 S7A 43.5(8) .
F9 C35 S7A 122.6(13) .
F8 C35 S7A 67.3(9) .
C30A C35 S7A 120(3) .
C34 C35 S7A 122.6(8) .
O3 C18 C17 129.8(7) .
O3 C18 C19 112.7(6) .
C17 C18 C19 117.4(7) .
C10 C9 C8 121.1(7) .
C9 C8 C7 119.6(7) .
O7 C34 C33 126.9(8) .
O7 C34 C35 111.7(8) .
C33 C34 C35 121.3(8) .
O5 C26 C25 130.1(7) .
O5 C26 C27 112.4(6) .
C25 C26 C27 117.5(6) .
C3 C4 S4 123.4(7) .
C3 C4 S3 122.8(7) .
S4 C4 S3 113.8(5) .
N1 C11 C7 120.8(7) .
C6 C5 S4 118.5(7) .
C4 C3 S2 122.6(7) .
C4 C3 S1 122.5(7) .
S2 C3 S1 114.8(5) .
N1 C10 C9 117.3(7) .
C21 C20 S6 116.8(8) .
O6 C32 C33 125.1(8) .
O6 C32 C31 116.1(8) .
C33 C32 C31 118.7(8) .
F9A C31 F8A 112(3) .
F9A C31 F7A 108(3) .
F8A C31 F7A 116(2) .
F9A C31 C30 120.5(19) .
F8A C31 C30 79.2(15) .
F7A C31 C30 37.1(13) .
F9A C31 C32 101.7(16) .
F8A C31 C32 108.3(13) .
F7A C31 C32 109.7(14) .
C30 C31 C32 131.1(13) .
F9A C31 S7 34(2) .
F8A C31 S7 79.2(18) .
F7A C31 S7 119.3(17) .
C30 C31 S7 108.3(12) .
C32 C31 S7 120.5(7) .
C13 C14 C15 99.5(9) .
C12 C13 C14 117.5(9) .
C2 C1 S1 116.2(8) .
C13 C12 S5 116.4(8) .
C34 C33 C32 123.2(7) .
C20 C21 C22 118.9(9) .
Cl2 C36 Cl1 143(3) .
C28 C29 C30 113.1(19) .
C31 C30 C29 113.4(19) .
C29 C28 S7 111.9(18) .
C31 S7 C28 92.0(9) .
C28A S7A C35 101(2) .
C29A C28A S7A 106(4) .
C28A C29A C30A 117(5) .
C35 C30A C29A 96(4) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O2 2.329(5) .
Tb1 O4 2.337(4) .
Tb1 O3 2.337(5) .
Tb1 O6 2.340(5) .
Tb1 O7 2.350(5) .
Tb1 O5 2.370(5) .
Tb1 O1 2.419(4) .
Tb1 O1 2.427(4) 3_765
S1 C3 1.749(10) .
S1 C1 1.752(9) .
S3 C6 1.755(8) .
S3 C4 1.775(9) .
S2 C2 1.702(10) .
S2 C3 1.744(9) .
S4 C5 1.744(10) .
S4 C4 1.766(9) .
S6 C20 1.659(11) .
S6 C23 1.706(9) .
S5 C12 1.684(10) .
S5 C15 1.715(9) .
O1 N1 1.362(7) .
O1 Tb1 2.427(4) 3_765
O4 C24 1.257(9) .
O5 C26 1.259(8) .
O3 C18 1.256(9) .
O2 C16 1.239(9) .
N1 C11 1.319(9) .
N1 C10 1.354(9) .
O7 C34 1.288(9) .
O6 C32 1.271(9) .
F1 C19 1.304(9) .
F6 C27 1.326(9) .
C16 C17 1.412(11) .
C16 C15 1.492(10) .
F4 C27 1.320(10) .
F3 C19 1.322(10) .
F5 C27 1.312(10) .
C15 C14 1.539(13) .
C2 C1 1.320(13) .
C17 C18 1.364(11) .
C22 C21 1.558(13) .
C22 C23 1.602(12) .
C7 C8 1.383(11) .
C7 C11 1.384(10) .
C7 C6 1.481(11) .
C6 C5 1.319(12) .
C27 C26 1.543(10) .
C24 C25 1.411(10) .
C24 C23 1.479(10) .
C25 C26 1.367(10) .
F2 C19 1.339(11) .
C19 C18 1.530(11) .
C35 F7 1.216(14) .
C35 F9 1.312(19) .
C35 F8 1.349(14) .
C35 C30A 1.47(7) .
C35 C34 1.513(13) .
C35 S7A 1.777(18) .
C9 C10 1.376(11) .
C9 C8 1.378(12) .
C34 C33 1.372(13) .
C4 C3 1.339(12) .
C20 C21 1.341(16) .
C32 C33 1.400(13) .
C32 C31 1.467(13) .
C31 F9A 1.20(4) .
C31 F8A 1.24(2) .
C31 F7A 1.29(2) .
C31 C30 1.406(17) .
C31 S7 1.742(13) .
C14 C13 1.512(14) .
C13 C12 1.316(15) .
C36 Cl2 1.48(5) .
C36 Cl1 1.74(6) .
C29 C28 1.32(3) .
C29 C30 1.42(3) .
C28 S7 1.74(2) .
S7A C28A 1.64(6) .
C28A C29A 1.56(8) .
C29A C30A 1.76(9) .
