#------------------------------------------------------------------------------
#$Date: 2017-08-10 07:53:52 +0300 (Thu, 10 Aug 2017) $
#$Revision: 199696 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/88/7228889.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_7228889
loop_
_publ_author_name
'Lv, Xue-Hui'
'Yang, Shuai-Liang'
'Li, Yuan-Xia'
'Zhang, Chen-Xi'
'Wang, Qing-Lun'
_publ_section_title
;
 A family of lanthanide compounds based on nitronyl nitroxide radicals:
 synthesis, structure, magnetic and fluorescence properties
;
_journal_issue                   61
_journal_name_full               'RSC Adv.'
_journal_page_first              38179
_journal_paper_doi               10.1039/C7RA05764D
_journal_volume                  7
_journal_year                    2017
_chemical_formula_sum            'C135 H141 F54 N18 O30 Tb3'
_chemical_formula_weight         3998.42
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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
_audit_update_record
;
2015-05-08 deposited with the CCDC.
2017-07-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 101.821(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   49.914(19)
_cell_length_b                   12.461(4)
_cell_length_c                   28.558(10)
_cell_measurement_reflns_used    21296
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      1.7
_cell_volume                     17386(11)
_computing_cell_refinement       Crystalclear
_computing_data_collection       Crystalclear
_computing_data_reduction        Crystalclear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 14.22
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Saturn 724 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0540
_diffrn_reflns_av_sigmaI/netI    0.0618
_diffrn_reflns_limit_h_max       59
_diffrn_reflns_limit_h_min       -59
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            59484
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.46
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.333
_exptl_absorpt_correction_T_max  0.7953
_exptl_absorpt_correction_T_min  0.7580
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Crystalclear
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             7992
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_platon_squeeze_details          ' '
_refine_diff_density_max         1.907
_refine_diff_density_min         -1.017
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1183
_refine_ls_number_reflns         15238
_refine_ls_number_restraints     228
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0433
_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)+(0.0559P)²+4.1657P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1110
_refine_ls_wR_factor_ref         0.1164
_reflns_number_gt                13011
_reflns_number_total             15238
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ra05764d2.cif
_cod_data_source_block           m121016f1-sr
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7228889
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.143700(4) 0.320145(15) 0.083397(7) 0.02914(8) Uani 1 1 d . . .
Tb2 Tb 0.0000 0.81331(2) 0.2500 0.02926(9) Uani 1 2 d S . .
F1 F 0.18550(7) -0.0330(2) 0.04494(14) 0.0846(11) Uani 1 1 d U . .
F2 F 0.20629(10) 0.0022(3) 0.11493(13) 0.1147(16) Uani 1 1 d U . .
F3 F 0.22658(7) 0.0160(3) 0.05846(15) 0.0914(12) Uani 1 1 d U . .
F4 F 0.23820(5) 0.4572(2) 0.07199(9) 0.0534(7) Uani 1 1 d U . .
F5 F 0.24094(6) 0.3662(3) 0.00957(11) 0.0653(8) Uani 1 1 d U . .
F6 F 0.21101(5) 0.4909(2) 0.00526(9) 0.0522(7) Uani 1 1 d U . .
F7 F 0.12040(7) 0.6195(2) -0.03602(12) 0.0728(10) Uani 1 1 d U . .
F8 F 0.10997(7) 0.4806(2) -0.07911(9) 0.0692(9) Uani 1 1 d U . .
F9 F 0.07891(6) 0.5820(2) -0.06396(9) 0.0561(7) Uani 1 1 d U . .
F10 F 0.02946(5) 0.4295(3) 0.04058(11) 0.0686(9) Uani 1 1 d U . .
F11 F 0.04280(6) 0.2740(2) 0.06454(14) 0.0823(11) Uani 1 1 d U . .
F12 F 0.04988(6) 0.4072(3) 0.11182(11) 0.0828(11) Uani 1 1 d U . .
F13 F 0.13078(9) -0.0322(3) 0.16626(15) 0.0979(13) Uani 1 1 d U . .
F14 F 0.10053(8) 0.0744(3) 0.18064(14) 0.0908(11) Uani 1 1 d U . .
F15 F 0.13444(10) 0.0376(3) 0.23630(14) 0.1162(15) Uani 1 1 d U . .
F16 F 0.21432(18) 0.2333(9) 0.2654(3) 0.082(3) Uani 0.612(19) 1 d PU A 1
F17 F 0.2189(3) 0.3761(14) 0.2266(6) 0.133(6) Uani 0.612(19) 1 d PU A 1
F18 F 0.23150(15) 0.2265(14) 0.2040(3) 0.101(4) Uani 0.612(19) 1 d PU A 1
F16' F 0.2217(4) 0.2060(16) 0.2504(9) 0.130(7) Uani 0.388(19) 1 d PU A 2
F17' F 0.2126(3) 0.3742(16) 0.2421(6) 0.071(4) Uani 0.388(19) 1 d PU A 2
F18' F 0.2324(2) 0.3081(19) 0.1962(5) 0.092(5) Uani 0.388(19) 1 d PU A 2
F19 F 0.0232(2) 0.4220(7) 0.2637(4) 0.082(4) Uani 0.377(9) 1 d PDU B 3
F20 F 0.0432(5) 0.4044(15) 0.2080(8) 0.052(4) Uani 0.377(9) 1 d PDU B 3
F21 F 0.0616(2) 0.4852(10) 0.2740(5) 0.089(5) Uani 0.377(9) 1 d PDU B 3
F19' F 0.06946(10) 0.5121(4) 0.2315(2) 0.079(2) Uani 0.623(9) 1 d PDU B 4
F20' F 0.0365(3) 0.3981(10) 0.2121(6) 0.069(4) Uani 0.623(9) 1 d PDU B 4
F21' F 0.04651(16) 0.4729(6) 0.2824(2) 0.071(2) Uani 0.623(9) 1 d PDU B 4
F22 F 0.04542(6) 0.6200(3) 0.40285(10) 0.0782(10) Uani 1 1 d U . .
F23 F 0.02140(7) 0.7421(3) 0.42398(10) 0.0740(9) Uani 1 1 d U . .
F24 F 0.00856(7) 0.5812(3) 0.42490(10) 0.0845(11) Uani 1 1 d U . .
F25 F 0.02988(14) 1.1138(6) 0.3671(2) 0.109(3) Uani 0.70 1 d PDU C 1
F26 F -0.01363(17) 1.1135(5) 0.3615(3) 0.094(2) Uani 0.70 1 d PDU C 1
F27 F 0.00506(15) 1.2380(4) 0.3323(2) 0.0695(18) Uani 0.70 1 d PDU C 1
F25' F 0.0155(3) 1.0799(9) 0.3786(3) 0.054(3) Uani 0.30 1 d PDU C 2
F26' F -0.0194(3) 1.1578(16) 0.3450(7) 0.097(6) Uani 0.30 1 d PDU C 2
F27' F 0.0192(3) 1.2238(10) 0.3389(7) 0.077(5) Uani 0.30 1 d PDU C 2
O1 O 0.14268(5) 0.4870(2) 0.11935(9) 0.0337(6) Uani 1 1 d . . .
O2 O 0.18567(8) 0.6217(3) 0.26620(12) 0.0694(11) Uani 1 1 d . . .
O3 O 0.11854(5) 0.2236(2) 0.01921(10) 0.0338(6) Uani 1 1 d . . .
O4 O 0.13434(7) -0.0696(3) -0.07087(12) 0.0528(8) Uani 1 1 d . . .
O5 O 0.17024(6) 0.1638(2) 0.07499(11) 0.0379(7) Uani 1 1 d . . .
O6 O 0.18161(5) 0.3757(2) 0.05382(9) 0.0332(6) Uani 1 1 d . . .
O7 O 0.12668(5) 0.4417(2) 0.01950(9) 0.0301(6) Uani 1 1 d . . .
O8 O 0.09680(5) 0.3517(2) 0.08389(10) 0.0325(6) Uani 1 1 d . . .
O9 O 0.13141(6) 0.1928(2) 0.13540(11) 0.0432(8) Uani 1 1 d . . .
O10 O 0.17982(6) 0.3162(2) 0.15228(11) 0.0426(8) Uani 1 1 d . . .
O11 O 0.04573(6) 0.8692(2) 0.25696(10) 0.0369(7) Uani 1 1 d . . .
O12 O 0.12144(6) 0.7080(3) 0.21739(11) 0.0525(9) Uani 1 1 d . . .
O13 O 0.02738(6) 0.6580(2) 0.24780(10) 0.0359(7) Uani 1 1 d . . .
O14 O 0.00883(6) 0.7509(2) 0.32938(10) 0.0354(6) Uani 1 1 d . . .
O15 O 0.00347(6) 0.9684(2) 0.29981(9) 0.0353(7) Uani 1 1 d . . .
N1 N 0.15853(7) 0.5443(3) 0.15221(11) 0.0345(8) Uani 1 1 d . . .
N2 N 0.17865(9) 0.6065(3) 0.22051(14) 0.0537(11) Uani 1 1 d . . .
N3 N 0.10274(12) 0.2339(4) 0.29333(19) 0.0760(15) Uani 1 1 d . . .
N4 N 0.11761(7) 0.1271(3) 0.00034(12) 0.0316(7) Uani 1 1 d . . .
N5 N 0.12484(7) -0.0104(3) -0.04178(12) 0.0371(8) Uani 1 1 d . . .
N6 N 0.20930(8) 0.3263(4) -0.11049(14) 0.0538(11) Uani 1 1 d . . .
N7 N 0.06977(7) 0.8236(3) 0.26010(12) 0.0329(8) Uani 1 1 d . . .
N8 N 0.10555(7) 0.7489(3) 0.24213(12) 0.0386(8) Uani 1 1 d . . .
N9 N 0.03327(7) 0.7954(3) 0.02609(13) 0.0389(8) Uani 1 1 d . . .
C1 C 0.16077(9) 0.5292(4) 0.19887(15) 0.0433(11) Uani 1 1 d . . .
C2 C 0.17150(8) 0.6434(4) 0.13866(15) 0.0384(10) Uani 1 1 d . . .
C3 C 0.18459(11) 0.6214(4) 0.09586(19) 0.0596(14) Uani 1 1 d . . .
H3A H 0.1959 0.5566 0.1019 0.089 Uiso 1 1 calc R . .
H3B H 0.1961 0.6825 0.0910 0.089 Uiso 1 1 calc R . .
H3C H 0.1702 0.6110 0.0672 0.089 Uiso 1 1 calc R . .
C4 C 0.14907(10) 0.7254(4) 0.12474(17) 0.0472(11) Uani 1 1 d . . .
H4A H 0.1349 0.6966 0.0989 0.071 Uiso 1 1 calc R . .
H4B H 0.1567 0.7911 0.1138 0.071 Uiso 1 1 calc R . .
H4C H 0.1410 0.7418 0.1525 0.071 Uiso 1 1 calc R . .
C5 C 0.19187(11) 0.6674(4) 0.1868(2) 0.0605(15) Uani 1 1 d . . .
C6 C 0.21993(12) 0.6169(6) 0.1894(3) 0.092(2) Uani 1 1 d . . .
H6A H 0.2307 0.6232 0.2221 0.138 Uiso 1 1 calc R . .
H6B H 0.2294 0.6540 0.1673 0.138 Uiso 1 1 calc R . .
H6C H 0.2177 0.5409 0.1806 0.138 Uiso 1 1 calc R . .
C7 C 0.19351(15) 0.7855(5) 0.2007(2) 0.089(2) Uani 1 1 d . . .
H7A H 0.1753 0.8110 0.2035 0.134 Uiso 1 1 calc R . .
H7B H 0.2000 0.8271 0.1761 0.134 Uiso 1 1 calc R . .
H7C H 0.2063 0.7943 0.2315 0.134 Uiso 1 1 calc R . .
C8 C 0.14605(11) 0.4517(4) 0.22318(15) 0.0462(12) Uani 1 1 d . . .
C9 C 0.15741(13) 0.4166(4) 0.26953(18) 0.0652(15) Uani 1 1 d . . .
H9 H 0.1750 0.4413 0.2853 0.078 Uiso 1 1 calc R . .
C10 C 0.14267(12) 0.3443(4) 0.29274(17) 0.0542(13) Uani 1 1 d . . .
H10 H 0.1502 0.3217 0.3245 0.065 Uiso 1 1 calc R . .
C11 C 0.11716(13) 0.3058(4) 0.2695(2) 0.0625(16) Uani 1 1 d . . .
C12 C 0.10696(12) 0.3368(4) 0.2228(2) 0.0557(14) Uani 1 1 d . . .
H12 H 0.0901 0.3079 0.2060 0.067 Uiso 1 1 calc R . .
C13 C 0.12101(10) 0.4093(4) 0.20006(17) 0.0467(11) Uani 1 1 d . . .
H13 H 0.1134 0.4305 0.1681 0.056 Uiso 1 1 calc R . .
C14 C 0.11286(19) 0.2165(6) 0.3426(2) 0.110(3) Uani 1 1 d . . .
H14A H 0.1329 0.2153 0.3491 0.166 Uiso 1 1 calc R . .
H14B H 0.1061 0.1476 0.3520 0.166 Uiso 1 1 calc R . .
H14C H 0.1066 0.2744 0.3610 0.166 Uiso 1 1 calc R . .
C15 C 0.07525(15) 0.2002(5) 0.2711(3) 0.097(3) Uani 1 1 d . . .
H15A H 0.0626 0.2607 0.2703 0.146 Uiso 1 1 calc R . .
H15B H 0.0696 0.1412 0.2896 0.146 Uiso 1 1 calc R . .
H15C H 0.0750 0.1759 0.2384 0.146 Uiso 1 1 calc R . .
C16 C 0.13306(8) 0.0926(3) -0.02928(14) 0.0318(9) Uani 1 1 d . . .
C17 C 0.09425(9) 0.0547(3) 0.00332(15) 0.0392(10) Uani 1 1 d . . .
C18 C 0.06951(9) 0.1018(4) -0.03132(18) 0.0503(12) Uani 1 1 d . . .
H18A H 0.0661 0.1750 -0.0214 0.075 Uiso 1 1 calc R . .
H18B H 0.0534 0.0573 -0.0310 0.075 Uiso 1 1 calc R . .
H18C H 0.0732 0.1032 -0.0637 0.075 Uiso 1 1 calc R . .
C19 C 0.08882(10) 0.0529(4) 0.05326(16) 0.0497(12) Uani 1 1 d . . .
H19A H 0.1056 0.0329 0.0759 0.074 Uiso 1 1 calc R . .
H19B H 0.0744 0.0004 0.0550 0.074 Uiso 1 1 calc R . .
H19C H 0.0829 0.1243 0.0614 0.074 Uiso 1 1 calc R . .
C20 C 0.10465(9) -0.0521(3) -0.01426(15) 0.0371(10) Uani 1 1 d . . .
C21 C 0.12076(11) -0.1206(4) 0.02564(18) 0.0565(13) Uani 1 1 d . . .
H21A H 0.1308 -0.1760 0.0120 0.085 Uiso 1 1 calc R . .
H21B H 0.1082 -0.1547 0.0433 0.085 Uiso 1 1 calc R . .
H21C H 0.1337 -0.0753 0.0474 0.085 Uiso 1 1 calc R . .
C22 C 0.08297(11) -0.1174(4) -0.04685(18) 0.0569(13) Uani 1 1 d . . .
H22A H 0.0752 -0.0751 -0.0753 0.085 Uiso 1 1 calc R . .
H22B H 0.0685 -0.1364 -0.0299 0.085 Uiso 1 1 calc R . .
H22C H 0.0912 -0.1830 -0.0565 0.085 Uiso 1 1 calc R . .
C23 C 0.15357(8) 0.1517(4) -0.04794(14) 0.0337(9) Uani 1 1 d . . .
C24 C 0.17486(9) 0.0998(4) -0.06384(15) 0.0426(11) Uani 1 1 d . . .
H24 H 0.1766 0.0240 -0.0610 0.051 Uiso 1 1 calc R . .
C25 C 0.19344(9) 0.1576(4) -0.08362(16) 0.0444(11) Uani 1 1 d . . .
H25 H 0.2078 0.1204 -0.0940 0.053 Uiso 1 1 calc R . .
C26 C 0.19174(9) 0.2689(4) -0.08873(15) 0.0423(11) Uani 1 1 d . . .
C27 C 0.17091(9) 0.3210(4) -0.07061(15) 0.0389(11) Uani 1 1 d . . .
H27 H 0.1697 0.3971 -0.0718 0.047 Uiso 1 1 calc R . .
C28 C 0.15232(8) 0.2640(3) -0.05130(14) 0.0355(9) Uani 1 1 d . . .
H28 H 0.1383 0.3013 -0.0400 0.043 Uiso 1 1 calc R . .
C29 C 0.22543(10) 0.2710(5) -0.13974(18) 0.0652(16) Uani 1 1 d . . .
H29A H 0.2369 0.2169 -0.1204 0.098 Uiso 1 1 calc R . .
H29B H 0.2371 0.3228 -0.1520 0.098 Uiso 1 1 calc R . .
H29C H 0.2132 0.2359 -0.1666 0.098 Uiso 1 1 calc R . .
C30 C 0.20515(11) 0.4405(5) -0.11861(18) 0.0649(16) Uani 1 1 d . . .
H30A H 0.1870 0.4529 -0.1385 0.097 Uiso 1 1 calc R . .
H30B H 0.2191 0.4685 -0.1349 0.097 Uiso 1 1 calc R . .
H30C H 0.2065 0.4772 -0.0879 0.097 Uiso 1 1 calc R . .
C31 C 0.20287(10) 0.0330(4) 0.07084(18) 0.0482(12) Uani 1 1 d . . .
C32 C 0.19321(8) 0.1497(4) 0.06526(15) 0.0365(10) Uani 1 1 d . . .
C33 C 0.21031(8) 0.2241(4) 0.05079(15) 0.0389(10) Uani 1 1 d . . .
H33 H 0.2272 0.2016 0.0438 0.047 Uiso 1 1 calc R . .
C34 C 0.20296(8) 0.3323(4) 0.04642(14) 0.0335(10) Uani 1 1 d . . .
C35 C 0.22333(9) 0.4118(4) 0.03256(16) 0.0429(11) Uani 1 1 d . . .
C36 C 0.10309(9) 0.5396(3) -0.04481(15) 0.0369(10) Uani 1 1 d . . .
C37 C 0.10340(8) 0.4716(3) -0.00030(13) 0.0297(9) Uani 1 1 d . . .
C38 C 0.07878(8) 0.4524(3) 0.01364(14) 0.0323(9) Uani 1 1 d . . .
H38 H 0.0623 0.4800 -0.0052 0.039 Uiso 1 1 calc R . .
C39 C 0.07767(8) 0.3937(3) 0.05475(14) 0.0316(9) Uani 1 1 d . . .
C40 C 0.04968(9) 0.3757(4) 0.06783(16) 0.0403(10) Uani 1 1 d . . .
C41 C 0.12684(14) 0.0565(5) 0.1896(2) 0.0685(17) Uani 1 1 d . . .
C42 C 0.14320(11) 0.1509(4) 0.17334(18) 0.0484(12) Uani 1 1 d . . .
C43 C 0.16847(11) 0.1744(4) 0.20118(18) 0.0536(14) Uani 1 1 d . . .
H43 H 0.1749 0.1346 0.2296 0.064 Uiso 1 1 calc R . .
C44 C 0.18484(10) 0.2554(4) 0.18844(16) 0.0505(13) Uani 1 1 d . A .
C45 C 0.21247(13) 0.2750(6) 0.2212(2) 0.0739(18) Uani 1 1 d . . .
C46 C 0.07960(8) 0.7857(3) 0.22387(15) 0.0341(9) Uani 1 1 d . . .
C47 C 0.08965(9) 0.8209(3) 0.30740(16) 0.0393(11) Uani 1 1 d . . .
C48 C 0.07565(10) 0.7685(5) 0.34432(16) 0.0522(13) Uani 1 1 d . . .
H48A H 0.0612 0.8158 0.3509 0.078 Uiso 1 1 calc R . .
H48B H 0.0891 0.7561 0.3740 0.078 Uiso 1 1 calc R . .
H48C H 0.0676 0.6998 0.3319 0.078 Uiso 1 1 calc R . .
C49 C 0.09636(10) 0.9378(4) 0.32082(18) 0.0557(13) Uani 1 1 d . . .
H49A H 0.1035 0.9729 0.2952 0.083 Uiso 1 1 calc R . .
H49B H 0.1102 0.9407 0.3506 0.083 Uiso 1 1 calc R . .
H49C H 0.0797 0.9748 0.3253 0.083 Uiso 1 1 calc R . .
C50 C 0.11357(9) 0.7540(4) 0.29530(14) 0.0381(10) Uani 1 1 d . . .
C51 C 0.14140(9) 0.8078(4) 0.30834(17) 0.0476(12) Uani 1 1 d . . .
H51A H 0.1552 0.7617 0.2987 0.071 Uiso 1 1 calc R . .
H51B H 0.1461 0.8196 0.3430 0.071 Uiso 1 1 calc R . .
H51C H 0.1408 0.8769 0.2918 0.071 Uiso 1 1 calc R . .
C52 C 0.11560(11) 0.6387(4) 0.31375(17) 0.0548(13) Uani 1 1 d . . .
H52A H 0.0980 0.6022 0.3027 0.082 Uiso 1 1 calc R . .
H52B H 0.1201 0.6390 0.3488 0.082 Uiso 1 1 calc R . .
H52C H 0.1300 0.6007 0.3016 0.082 Uiso 1 1 calc R . .
C53 C 0.06702(8) 0.7866(3) 0.17354(14) 0.0315(9) Uani 1 1 d . . .
C54 C 0.07266(8) 0.7053(3) 0.14281(15) 0.0353(9) Uani 1 1 d . . .
H54 H 0.0846 0.6484 0.1556 0.042 Uiso 1 1 calc R . .
C55 C 0.06122(8) 0.7064(3) 0.09464(15) 0.0335(9) Uani 1 1 d . . .
H55 H 0.0650 0.6495 0.0748 0.040 Uiso 1 1 calc R . .
C56 C 0.04393(8) 0.7915(3) 0.07455(14) 0.0315(9) Uani 1 1 d . . .
C57 C 0.03823(8) 0.8720(3) 0.10561(14) 0.0321(9) Uani 1 1 d . . .
H57 H 0.0263 0.9293 0.0932 0.039 Uiso 1 1 calc R . .
C58 C 0.04968(8) 0.8692(3) 0.15377(14) 0.0316(9) Uani 1 1 d . . .
H58 H 0.0456 0.9250 0.1739 0.038 Uiso 1 1 calc R . .
C59 C 0.01353(9) 0.8762(4) 0.00667(15) 0.0436(11) Uani 1 1 d . . .
H59A H -0.0032 0.8653 0.0188 0.065 Uiso 1 1 calc R . .
H59B H 0.0093 0.8710 -0.0283 0.065 Uiso 1 1 calc R . .
H59C H 0.0210 0.9474 0.0162 0.065 Uiso 1 1 calc R . .
C60 C 0.03404(10) 0.6997(4) -0.00284(16) 0.0420(11) Uani 1 1 d . . .
H60A H 0.0531 0.6774 -0.0006 0.063 Uiso 1 1 calc R . .
H60B H 0.0257 0.7154 -0.0363 0.063 Uiso 1 1 calc R . .
H60C H 0.0239 0.6418 0.0089 0.063 Uiso 1 1 calc R . .
C61 C 0.04199(12) 0.4849(4) 0.23756(19) 0.0741(19) Uani 1 1 d D . .
C62 C 0.02550(8) 0.5813(3) 0.21881(16) 0.0375(10) Uani 1 1 d . . .
C64 C 0.02001(9) 0.6503(4) 0.40059(17) 0.0440(11) Uani 1 1 d . . .
C65 C 0.00476(8) 0.6628(4) 0.34822(15) 0.0345(10) Uani 1 1 d . . .
C66 C -0.01069(9) 0.5767(4) 0.32811(16) 0.0410(10) Uani 1 1 d . . .
H66 H -0.0113 0.5134 0.3464 0.049 Uiso 1 1 calc R . .
C67 C 0.00579(10) 1.1322(3) 0.33828(16) 0.0494(12) Uani 1 1 d D . .
C68 C 0.00304(8) 1.0677(3) 0.29274(14) 0.0328(9) Uani 1 1 d . C .
C69 C 0.0000 1.1225(5) 0.2500 0.0429(15) Uani 1 2 d S . .
H69 H 0.0000 1.1988 0.2500 0.051 Uiso 1 2 calc SR C .
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'
Tb Tb -0.1723 4.1537 '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
O1 Tb1 O6 89.28(10) . .
O1 Tb1 O3 138.73(9) . .
O6 Tb1 O3 102.42(9) . .
O1 Tb1 O9 107.10(10) . .
O6 Tb1 O9 140.33(10) . .
O3 Tb1 O9 88.84(11) . .
O1 Tb1 O8 74.85(9) . .
O6 Tb1 O8 145.81(9) . .
O3 Tb1 O8 73.59(9) . .
O9 Tb1 O8 73.84(10) . .
O1 Tb1 O10 74.61(9) . .
O6 Tb1 O10 76.81(10) . .
O3 Tb1 O10 146.44(10) . .
O9 Tb1 O10 73.41(11) . .
O8 Tb1 O10 125.35(10) . .
O1 Tb1 O7 74.56(9) . .
O6 Tb1 O7 73.91(9) . .
O3 Tb1 O7 71.16(10) . .
O9 Tb1 O7 144.71(10) . .
O8 Tb1 O7 72.74(9) . .
O10 Tb1 O7 137.25(10) . .
O1 Tb1 O5 146.57(10) . .
O6 Tb1 O5 72.46(10) . .
O3 Tb1 O5 73.82(10) . .
O9 Tb1 O5 74.58(10) . .
O8 Tb1 O5 134.47(10) . .
O10 Tb1 O5 74.07(10) . .
O7 Tb1 O5 123.81(10) . .
O14 Tb2 O14 141.38(14) 2 .
O14 Tb2 O11 91.68(10) 2 2
O14 Tb2 O11 99.56(9) . 2
O14 Tb2 O11 99.57(9) 2 .
O14 Tb2 O11 91.68(10) . .
O11 Tb2 O11 145.63(14) 2 .
O14 Tb2 O13 76.17(10) 2 2
O14 Tb2 O13 72.58(10) . 2
O11 Tb2 O13 71.97(10) 2 2
O11 Tb2 O13 142.24(10) . 2
O14 Tb2 O13 72.58(10) 2 .
O14 Tb2 O13 76.18(10) . .
O11 Tb2 O13 142.24(10) 2 .
O11 Tb2 O13 71.97(10) . .
O13 Tb2 O13 71.00(14) 2 .
O14 Tb2 O15 145.03(9) 2 .
O14 Tb2 O15 73.53(9) . .
O11 Tb2 O15 76.21(10) 2 .
O11 Tb2 O15 76.08(9) . .
O13 Tb2 O15 128.02(10) 2 .
O13 Tb2 O15 134.71(10) . .
O14 Tb2 O15 73.53(9) 2 2
O14 Tb2 O15 145.03(10) . 2
O11 Tb2 O15 76.08(9) 2 2
O11 Tb2 O15 76.21(10) . 2
O13 Tb2 O15 134.72(10) 2 2
O13 Tb2 O15 128.01(10) . 2
O15 Tb2 O15 71.74(13) . 2
N1 O1 Tb1 137.8(2) . .
N4 O3 Tb1 139.6(2) . .
C32 O5 Tb1 133.6(3) . .
C34 O6 Tb1 135.7(3) . .
C37 O7 Tb1 133.7(3) . .
C39 O8 Tb1 133.3(3) . .
C42 O9 Tb1 134.6(3) . .
C44 O10 Tb1 132.6(3) . .
N7 O11 Tb2 137.2(2) . .
C62 O13 Tb2 132.2(3) . .
C65 O14 Tb2 133.3(3) . .
C68 O15 Tb2 135.0(3) . .
O1 N1 C1 123.8(4) . .
O1 N1 C2 120.0(3) . .
C1 N1 C2 115.4(4) . .
O2 N2 C1 125.1(4) . .
O2 N2 C5 121.0(4) . .
C1 N2 C5 113.7(4) . .
C11 N3 C14 117.8(6) . .
C11 N3 C15 120.2(5) . .
C14 N3 C15 120.3(6) . .
O3 N4 C16 125.5(3) . .
O3 N4 C17 119.5(3) . .
C16 N4 C17 113.8(3) . .
O4 N5 C16 125.5(3) . .
O4 N5 C20 121.6(3) . .
C16 N5 C20 112.7(3) . .
C26 N6 C29 119.6(5) . .
C26 N6 C30 120.0(4) . .
C29 N6 C30 116.9(4) . .
O11 N7 C46 125.6(3) . .
O11 N7 C47 119.7(3) . .
C46 N7 C47 114.4(4) . .
O12 N8 C46 124.8(3) . .
O12 N8 C50 121.0(3) . .
C46 N8 C50 114.1(3) . .
C56 N9 C59 120.4(4) . .
C56 N9 C60 119.4(4) . .
C59 N9 C60 116.8(4) . .
N1 C1 N2 105.4(4) . .
N1 C1 C8 128.3(4) . .
N2 C1 C8 126.2(4) . .
N1 C2 C4 107.1(3) . .
N1 C2 C3 109.9(4) . .
C4 C2 C3 109.1(4) . .
N1 C2 C5 99.8(4) . .
C4 C2 C5 114.6(4) . .
C3 C2 C5 115.6(4) . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
N2 C5 C7 109.4(5) . .
N2 C5 C6 106.5(5) . .
C7 C5 C6 112.8(5) . .
N2 C5 C2 100.2(4) . .
C7 C5 C2 113.9(4) . .
C6 C5 C2 113.0(5) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C5 C7 H7A 109.5 . .
C5 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C5 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C13 C8 C9 118.7(5) . .
C13 C8 C1 120.8(4) . .
C9 C8 C1 120.5(5) . .
C8 C9 C10 119.6(6) . .
C8 C9 H9 120.2 . .
C10 C9 H9 120.2 . .
C11 C10 C9 120.6(5) . .
C11 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
C12 C11 C10 118.9(5) . .
C12 C11 N3 121.4(6) . .
C10 C11 N3 119.7(6) . .
C11 C12 C13 120.9(6) . .
C11 C12 H12 119.6 . .
C13 C12 H12 119.6 . .
C12 C13 C8 121.1(5) . .
C12 C13 H13 119.4 . .
C8 C13 H13 119.4 . .
N3 C14 H14A 109.5 . .
N3 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
N3 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N3 C15 H15A 109.5 . .
N3 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
N3 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
N4 C16 N5 106.7(3) . .
N4 C16 C23 128.1(4) . .
N5 C16 C23 125.1(4) . .
N4 C17 C19 111.0(4) . .
N4 C17 C18 105.5(3) . .
C19 C17 C18 109.8(4) . .
N4 C17 C20 100.6(3) . .
C19 C17 C20 115.6(4) . .
C18 C17 C20 113.5(4) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
N5 C20 C22 109.8(4) . .
N5 C20 C21 106.3(4) . .
C22 C20 C21 111.2(4) . .
N5 C20 C17 100.3(3) . .
C22 C20 C17 114.6(4) . .
C21 C20 C17 113.7(4) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C24 C23 C28 117.8(4) . .
C24 C23 C16 121.8(4) . .
C28 C23 C16 120.4(4) . .
C25 C24 C23 120.7(4) . .
C25 C24 H24 119.7 . .
C23 C24 H24 119.7 . .
C24 C25 C26 121.9(4) . .
C24 C25 H25 119.0 . .
C26 C25 H25 119.0 . .
N6 C26 C25 122.3(4) . .
N6 C26 C27 120.8(5) . .
C25 C26 C27 116.9(4) . .
C28 C27 C26 121.3(4) . .
C28 C27 H27 119.3 . .
C26 C27 H27 119.3 . .
C27 C28 C23 121.3(4) . .
C27 C28 H28 119.3 . .
C23 C28 H28 119.3 . .
N6 C29 H29A 109.5 . .
N6 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
N6 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N6 C30 H30A 109.5 . .
N6 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
N6 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
F2 C31 F1 107.7(5) . .
F2 C31 F3 105.5(4) . .
F1 C31 F3 105.9(4) . .
F2 C31 C32 111.0(4) . .
F1 C31 C32 112.3(4) . .
F3 C31 C32 114.0(4) . .
O5 C32 C33 128.8(4) . .
O5 C32 C31 113.3(4) . .
C33 C32 C31 117.9(4) . .
C32 C33 C34 120.5(4) . .
C32 C33 H33 119.7 . .
C34 C33 H33 119.7 . .
O6 C34 C33 128.3(4) . .
O6 C34 C35 113.5(4) . .
C33 C34 C35 118.2(4) . .
F6 C35 F5 107.5(4) . .
F6 C35 F4 106.8(4) . .
F5 C35 F4 106.7(4) . .
F6 C35 C34 112.4(3) . .
F5 C35 C34 113.2(4) . .
F4 C35 C34 109.8(3) . .
F7 C36 F8 107.7(4) . .
F7 C36 F9 106.5(4) . .
F8 C36 F9 105.5(3) . .
F7 C36 C37 111.7(3) . .
F8 C36 C37 110.3(3) . .
F9 C36 C37 114.7(4) . .
O7 C37 C38 128.3(4) . .
O7 C37 C36 113.3(3) . .
C38 C37 C36 118.4(4) . .
C37 C38 C39 121.5(4) . .
C37 C38 H38 119.3 . .
C39 C38 H38 119.3 . .
O8 C39 C38 128.8(4) . .
O8 C39 C40 112.8(4) . .
C38 C39 C40 118.5(4) . .
F11 C40 F12 107.9(4) . .
F11 C40 F10 106.9(4) . .
F12 C40 F10 105.4(4) . .
F11 C40 C39 111.2(3) . .
F12 C40 C39 111.1(4) . .
F10 C40 C39 113.9(4) . .
F14 C41 F13 106.9(6) . .
F14 C41 F15 107.3(5) . .
F13 C41 F15 108.3(5) . .
F14 C41 C42 112.4(4) . .
F13 C41 C42 109.8(4) . .
F15 C41 C42 112.0(5) . .
O9 C42 C43 129.1(5) . .
O9 C42 C41 113.3(5) . .
C43 C42 C41 117.5(5) . .
C42 C43 C44 121.3(4) . .
C42 C43 H43 119.3 . .
C44 C43 H43 119.3 . .
O10 C44 C43 128.3(5) . .
O10 C44 C45 114.1(5) . .
C43 C44 C45 117.6(5) . .
F16' C45 F17 123.3(12) . .
F16' C45 F18 74.2(12) . .
F17 C45 F18 108.2(10) . .
F16' C45 F16 31.4(12) . .
F17 C45 F16 107.0(9) . .
F18 C45 F16 105.0(7) . .
F16' C45 F17' 111.6(13) . .
F17 C45 F17' 25.4(11) . .
F18 C45 F17' 129.9(11) . .
F16 C45 F17' 86.9(10) . .
F16' C45 F18' 110.2(12) . .
F17 C45 F18' 66.0(9) . .
F18 C45 F18' 45.2(6) . .
F16 C45 F18' 132.0(8) . .
F17' C45 F18' 90.9(11) . .
F16' C45 C44 118.5(11) . .
F17 C45 C44 113.6(8) . .
F18 C45 C44 109.5(6) . .
F16 C45 C44 113.1(7) . .
F17' C45 C44 109.7(8) . .
F18' C45 C44 112.6(7) . .
N7 C46 N8 107.2(4) . .
N7 C46 C53 128.4(4) . .
N8 C46 C53 124.4(3) . .
N7 C47 C49 106.0(4) . .
N7 C47 C48 108.6(4) . .
C49 C47 C48 110.1(4) . .
N7 C47 C50 102.0(3) . .
C49 C47 C50 115.4(4) . .
C48 C47 C50 113.9(4) . .
C47 C48 H48A 109.5 . .
C47 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C47 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C47 C49 H49A 109.5 . .
C47 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C47 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
N8 C50 C51 108.1(3) . .
N8 C50 C52 107.2(3) . .
C51 C50 C52 109.8(4) . .
N8 C50 C47 101.0(3) . .
C51 C50 C47 114.5(4) . .
C52 C50 C47 115.4(4) . .
C50 C51 H51A 109.5 . .
C50 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C50 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C50 C52 H52A 109.5 . .
C50 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C50 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C58 C53 C54 117.9(4) . .
C58 C53 C46 121.2(4) . .
C54 C53 C46 120.8(4) . .
C55 C54 C53 121.4(4) . .
C55 C54 H54 119.3 . .
C53 C54 H54 119.3 . .
C54 C55 C56 120.5(4) . .
C54 C55 H55 119.8 . .
C56 C55 H55 119.8 . .
N9 C56 C57 121.4(4) . .
N9 C56 C55 120.9(4) . .
C57 C56 C55 117.7(4) . .
C58 C57 C56 121.0(4) . .
C58 C57 H57 119.5 . .
C56 C57 H57 119.5 . .
C57 C58 C53 121.5(4) . .
C57 C58 H58 119.3 . .
C53 C58 H58 119.3 . .
N9 C59 H59A 109.5 . .
N9 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
N9 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
N9 C60 H60A 109.5 . .
N9 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
N9 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
F21' C61 F21 39.2(7) . .
F21' C61 F20' 116.1(10) . .
F21 C61 F20' 119.8(11) . .
F21' C61 F20 122.3(14) . .
F21 C61 F20 113.2(14) . .
F20' C61 F20 16.9(14) . .
F21' C61 F19' 99.9(6) . .
F21 C61 F19' 60.8(8) . .
F20' C61 F19' 102.9(7) . .
F20 C61 F19' 86.1(10) . .
F21' C61 C62 115.5(5) . .
F21 C61 C62 124.5(7) . .
F20' C61 C62 115.6(9) . .
F20 C61 C62 118.5(13) . .
F19' C61 C62 103.5(5) . .
F21' C61 F19 56.2(6) . .
F21 C61 F19 92.8(9) . .
F20' C61 F19 76.4(8) . .
F20 C61 F19 92.0(11) . .
F19' C61 F19 149.7(6) . .
C62 C61 F19 103.9(5) . .
O13 C62 C66 128.3(4) . 2
O13 C62 C61 114.5(4) . .
C66 C62 C61 117.2(4) 2 .
F24 C64 F22 107.9(4) . .
F24 C64 F23 106.6(4) . .
F22 C64 F23 105.9(4) . .
F24 C64 C65 113.5(4) . .
F22 C64 C65 110.9(4) . .
F23 C64 C65 111.6(4) . .
O14 C65 C66 128.9(4) . .
O14 C65 C64 114.4(4) . .
C66 C65 C64 116.7(4) . .
C65 C66 C62 120.7(4) . 2
C65 C66 H66 119.6 . .
C62 C66 H66 119.6 2 .
F26 C67 F27' 125.2(9) . .
F26 C67 F25' 69.5(7) . .
F27' C67 F25' 108.5(10) . .
F26 C67 F27 103.8(5) . .
F27' C67 F27 31.3(7) . .
F25' C67 F27 126.5(7) . .
F26 C67 F25 109.1(6) . .
F27' C67 F25 75.4(9) . .
F25' C67 F25 41.8(6) . .
F27 C67 F25 104.3(5) . .
F26 C67 F26' 32.5(8) . .
F27' C67 F26' 106.2(11) . .
F25' C67 F26' 100.4(10) . .
F27 C67 F26' 77.4(9) . .
F25 C67 F26' 134.7(10) . .
F26 C67 C68 113.4(5) . .
F27' C67 C68 115.2(9) . .
F25' C67 C68 116.0(6) . .
F27 C67 C68 114.9(4) . .
F25 C67 C68 110.6(4) . .
F26' C67 C68 109.0(9) . .
O15 C68 C69 128.8(4) . .
O15 C68 C67 113.0(4) . .
C69 C68 C67 118.2(4) . .
C68 C69 C68 120.7(6) 2 .
C68 C69 H69 119.7 2 .
C68 C69 H69 119.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O1 2.324(3) .
Tb1 O6 2.330(3) .
Tb1 O3 2.333(3) .
Tb1 O9 2.340(3) .
Tb1 O8 2.377(3) .
Tb1 O10 2.381(3) .
Tb1 O7 2.390(3) .
Tb1 O5 2.396(3) .
Tb2 O14 2.351(3) 2
Tb2 O14 2.351(3) .
Tb2 O11 2.355(3) 2
Tb2 O11 2.356(3) .
Tb2 O13 2.377(3) 2
Tb2 O13 2.377(3) .
Tb2 O15 2.384(3) .
Tb2 O15 2.385(3) 2
F1 C31 1.309(6) .
F2 C31 1.294(6) .
F3 C31 1.319(5) .
F4 C35 1.341(5) .
F5 C35 1.328(5) .
F6 C35 1.327(5) .
F7 C36 1.309(5) .
F8 C36 1.325(5) .
F9 C36 1.329(5) .
F10 C40 1.324(5) .
F11 C40 1.311(5) .
F12 C40 1.314(5) .
F13 C41 1.327(7) .
F14 C41 1.305(7) .
F15 C41 1.330(6) .
F16 C45 1.351(10) .
F17 C45 1.302(17) .
F18 C45 1.304(10) .
F16' C45 1.222(18) .
F17' C45 1.37(2) .
F18' C45 1.402(16) .
F19 C61 1.528(8) .
F20 C61 1.321(10) .
F21 C61 1.276(9) .
F19' C61 1.457(7) .
F20' C61 1.301(8) .
F21' C61 1.264(7) .
F22 C64 1.312(5) .
F23 C64 1.320(6) .
F24 C64 1.308(5) .
F25 C67 1.330(6) .
F26 C67 1.303(7) .
F27 C67 1.330(6) .
F25' C67 1.326(8) .
F26' C67 1.349(10) .
F27' C67 1.323(9) .
O1 N1 1.309(4) .
O2 N2 1.294(5) .
O3 N4 1.314(4) .
O4 N5 1.273(4) .
O5 C32 1.246(5) .
O6 C34 1.251(5) .
O7 C37 1.241(5) .
O8 C39 1.246(5) .
O9 C42 1.237(5) .
O10 C44 1.264(5) .
O11 N7 1.314(4) .
O12 N8 1.272(4) .
O13 C62 1.255(5) .
O14 C65 1.258(5) .
O15 C68 1.254(5) .
N1 C1 1.328(5) .
N1 C2 1.482(5) .
N2 C1 1.371(6) .
N2 C5 1.483(7) .
N3 C11 1.410(7) .
N3 C14 1.411(8) .
N3 C15 1.451(9) .
N4 C16 1.327(5) .
N4 C17 1.491(5) .
N5 C16 1.373(5) .
N5 C20 1.492(5) .
N6 C26 1.375(6) .
N6 C29 1.448(6) .
N6 C30 1.449(7) .
N7 C46 1.320(5) .
N7 C47 1.504(5) .
N8 C46 1.372(5) .
N8 C50 1.490(5) .
N9 C56 1.378(5) .
N9 C59 1.438(5) .
N9 C60 1.456(5) .
C1 C8 1.471(7) .
C2 C4 1.507(6) .
C2 C3 1.524(6) .
C2 C5 1.562(6) .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C7 1.521(7) .
C5 C6 1.524(8) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 C13 1.392(7) .
C8 C9 1.399(6) .
C9 C10 1.411(7) .
C9 H9 0.9500 .
C10 C11 1.395(8) .
C10 H10 0.9500 .
C11 C12 1.382(8) .
C12 C13 1.384(7) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C23 1.448(6) .
C17 C19 1.506(6) .
C17 C18 1.532(6) .
C17 C20 1.549(6) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 C22 1.512(6) .
C20 C21 1.516(6) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.397(6) .
C23 C28 1.403(6) .
C24 C25 1.383(6) .
C24 H24 0.9500 .
C25 C26 1.396(7) .
C25 H25 0.9500 .
C26 C27 1.411(6) .
C27 C28 1.371(6) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 C32 1.530(6) .
C32 C33 1.380(6) .
C33 C34 1.395(6) .
C33 H33 0.9500 .
C34 C35 1.529(6) .
C36 C37 1.525(5) .
C37 C38 1.388(5) .
C38 C39 1.395(6) .
C38 H38 0.9500 .
C39 C40 1.535(5) .
C41 C42 1.557(7) .
C42 C43 1.377(7) .
C43 C44 1.393(7) .
C43 H43 0.9500 .
C44 C45 1.519(8) .
C46 C53 1.446(6) .
C47 C49 1.525(6) .
C47 C48 1.526(6) .
C47 C50 1.553(6) .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
C50 C51 1.519(6) .
C50 C52 1.527(6) .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 C58 1.388(6) .
C53 C54 1.407(6) .
C54 C55 1.377(6) .
C54 H54 0.9500 .
C55 C56 1.413(6) .
C55 H55 0.9500 .
C56 C57 1.407(6) .
C57 C58 1.377(5) .
C57 H57 0.9500 .
C58 H58 0.9500 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 C62 1.492(7) .
C62 C66 1.392(6) 2
C64 C65 1.541(6) .
C65 C66 1.376(6) .
C66 C62 1.392(6) 2
C66 H66 0.9500 .
C67 C68 1.510(6) .
C68 C69 1.380(5) .
C69 C68 1.380(5) 2
C69 H69 0.9500 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O6 Tb1 O1 N1 -62.6(3) . .
O3 Tb1 O1 N1 -170.7(3) . .
O9 Tb1 O1 N1 80.7(3) . .
O8 Tb1 O1 N1 148.1(4) . .
O10 Tb1 O1 N1 13.9(3) . .
O7 Tb1 O1 N1 -136.1(4) . .
O5 Tb1 O1 N1 -7.1(4) . .
O1 Tb1 O3 N4 -173.7(3) . .
O6 Tb1 O3 N4 82.9(3) . .
O9 Tb1 O3 N4 -58.7(3) . .
O8 Tb1 O3 N4 -132.2(4) . .
O10 Tb1 O3 N4 -1.8(4) . .
O7 Tb1 O3 N4 150.9(4) . .
O5 Tb1 O3 N4 15.6(3) . .
O1 Tb1 O5 C32 -51.8(5) . .
O6 Tb1 O5 C32 8.0(4) . .
O3 Tb1 O5 C32 117.0(4) . .
O9 Tb1 O5 C32 -149.6(4) . .
O8 Tb1 O5 C32 162.9(3) . .
O10 Tb1 O5 C32 -72.9(4) . .
O7 Tb1 O5 C32 63.8(4) . .
O1 Tb1 O6 C34 144.3(4) . .
O3 Tb1 O6 C34 -75.6(4) . .
O9 Tb1 O6 C34 27.9(4) . .
O8 Tb1 O6 C34 -154.6(3) . .
O10 Tb1 O6 C34 70.0(4) . .
O7 Tb1 O6 C34 -141.5(4) . .
O5 Tb1 O6 C34 -7.2(4) . .
O1 Tb1 O7 C37 -91.1(3) . .
O6 Tb1 O7 C37 175.1(3) . .
O3 Tb1 O7 C37 65.5(3) . .
O9 Tb1 O7 C37 6.8(4) . .
O8 Tb1 O7 C37 -12.6(3) . .
O10 Tb1 O7 C37 -136.4(3) . .
O5 Tb1 O7 C37 119.9(3) . .
O1 Tb1 O8 C39 91.3(4) . .
O6 Tb1 O8 C39 26.3(4) . .
O3 Tb1 O8 C39 -61.8(3) . .
O9 Tb1 O8 C39 -155.4(4) . .
O10 Tb1 O8 C39 149.4(3) . .
O7 Tb1 O8 C39 13.1(3) . .
O5 Tb1 O8 C39 -107.6(4) . .
O1 Tb1 O9 C42 -75.8(4) . .
O6 Tb1 O9 C42 34.7(5) . .
O3 Tb1 O9 C42 142.9(4) . .
O8 Tb1 O9 C42 -143.9(4) . .
O10 Tb1 O9 C42 -8.2(4) . .
O7 Tb1 O9 C42 -163.1(4) . .
O5 Tb1 O9 C42 69.4(4) . .
O1 Tb1 O10 C44 121.8(4) . .
O6 Tb1 O10 C44 -145.3(4) . .
O3 Tb1 O10 C44 -52.6(4) . .
O9 Tb1 O10 C44 8.2(4) . .
O8 Tb1 O10 C44 63.6(4) . .
O7 Tb1 O10 C44 167.0(3) . .
O5 Tb1 O10 C44 -70.0(4) . .
O14 Tb2 O11 N7 -71.7(4) 2 .
O14 Tb2 O11 N7 71.2(3) . .
O11 Tb2 O11 N7 -179.1(4) 2 .
O13 Tb2 O11 N7 8.1(4) 2 .
O13 Tb2 O11 N7 -3.6(3) . .
O15 Tb2 O11 N7 143.8(4) . .
O15 Tb2 O11 N7 -141.9(4) 2 .
O14 Tb2 O13 C62 -20.9(3) 2 .
O14 Tb2 O13 C62 136.1(4) . .
O11 Tb2 O13 C62 48.3(4) 2 .
O11 Tb2 O13 C62 -127.5(4) . .
O13 Tb2 O13 C62 60.1(3) 2 .
O15 Tb2 O13 C62 -174.8(3) . .
O15 Tb2 O13 C62 -72.4(4) 2 .
O14 Tb2 O14 C65 -19.7(3) 2 .
O11 Tb2 O14 C65 85.3(3) 2 .
O11 Tb2 O14 C65 -127.3(3) . .
O13 Tb2 O14 C65 17.8(3) 2 .
O13 Tb2 O14 C65 -56.3(3) . .
O15 Tb2 O14 C65 157.7(4) . .
O15 Tb2 O14 C65 164.7(3) 2 .
O14 Tb2 O15 C68 -7.2(4) 2 .
O14 Tb2 O15 C68 175.6(4) . .
O11 Tb2 O15 C68 -79.8(4) 2 .
O11 Tb2 O15 C68 79.6(4) . .
O13 Tb2 O15 C68 -133.2(3) 2 .
O13 Tb2 O15 C68 125.7(3) . .
O15 Tb2 O15 C68 -0.2(3) 2 .
Tb1 O1 N1 C1 -79.7(5) . .
Tb1 O1 N1 C2 111.1(4) . .
Tb1 O3 N4 C16 -82.9(5) . .
Tb1 O3 N4 C17 110.1(4) . .
Tb2 O11 N7 C46 80.6(5) . .
Tb2 O11 N7 C47 -105.2(4) . .
O1 N1 C1 N2 -178.6(3) . .
C2 N1 C1 N2 -8.9(5) . .
O1 N1 C1 C8 -2.4(7) . .
C2 N1 C1 C8 167.3(4) . .
O2 N2 C1 N1 177.6(4) . .
C5 N2 C1 N1 -8.0(5) . .
O2 N2 C1 C8 1.3(7) . .
C5 N2 C1 C8 175.7(4) . .
O1 N1 C2 C4 70.7(4) . .
C1 N1 C2 C4 -99.3(4) . .
O1 N1 C2 C3 -47.7(5) . .
C1 N1 C2 C3 142.2(4) . .
O1 N1 C2 C5 -169.6(4) . .
C1 N1 C2 C5 20.4(5) . .
O2 N2 C5 C7 -45.6(6) . .
C1 N2 C5 C7 139.7(4) . .
O2 N2 C5 C6 76.5(6) . .
C1 N2 C5 C6 -98.2(5) . .
O2 N2 C5 C2 -165.6(4) . .
C1 N2 C5 C2 19.6(5) . .
N1 C2 C5 N2 -21.5(4) . .
C4 C2 C5 N2 92.5(4) . .
C3 C2 C5 N2 -139.3(4) . .
N1 C2 C5 C7 -138.2(5) . .
C4 C2 C5 C7 -24.2(7) . .
C3 C2 C5 C7 104.0(6) . .
N1 C2 C5 C6 91.4(5) . .
C4 C2 C5 C6 -154.6(5) . .
C3 C2 C5 C6 -26.4(7) . .
N1 C1 C8 C13 -22.8(7) . .
N2 C1 C8 C13 152.7(4) . .
N1 C1 C8 C9 155.2(5) . .
N2 C1 C8 C9 -29.3(7) . .
C13 C8 C9 C10 -3.6(7) . .
C1 C8 C9 C10 178.4(4) . .
C8 C9 C10 C11 1.4(8) . .
C9 C10 C11 C12 2.1(8) . .
C9 C10 C11 N3 -179.9(5) . .
C14 N3 C11 C12 -172.4(6) . .
C15 N3 C11 C12 -7.2(8) . .
C14 N3 C11 C10 9.6(8) . .
C15 N3 C11 C10 174.9(5) . .
C10 C11 C12 C13 -3.5(8) . .
N3 C11 C12 C13 178.6(5) . .
C11 C12 C13 C8 1.2(7) . .
C9 C8 C13 C12 2.3(7) . .
C1 C8 C13 C12 -179.7(4) . .
O3 N4 C16 N5 -177.7(3) . .
C17 N4 C16 N5 -10.1(5) . .
O3 N4 C16 C23 -1.2(6) . .
C17 N4 C16 C23 166.4(4) . .
O4 N5 C16 N4 177.9(4) . .
C20 N5 C16 N4 -7.0(4) . .
O4 N5 C16 C23 1.3(6) . .
C20 N5 C16 C23 176.4(4) . .
O3 N4 C17 C19 -47.1(5) . .
C16 N4 C17 C19 144.5(4) . .
O3 N4 C17 C18 71.8(4) . .
C16 N4 C17 C18 -96.6(4) . .
O3 N4 C17 C20 -169.9(3) . .
C16 N4 C17 C20 21.7(4) . .
O4 N5 C20 C22 -44.1(5) . .
C16 N5 C20 C22 140.6(4) . .
O4 N5 C20 C21 76.3(5) . .
C16 N5 C20 C21 -99.0(4) . .
O4 N5 C20 C17 -165.1(4) . .
C16 N5 C20 C17 19.6(4) . .
N4 C17 C20 N5 -22.4(4) . .
C19 C17 C20 N5 -141.9(4) . .
C18 C17 C20 N5 89.8(4) . .
N4 C17 C20 C22 -139.9(4) . .
C19 C17 C20 C22 100.6(5) . .
C18 C17 C20 C22 -27.7(5) . .
N4 C17 C20 C21 90.6(4) . .
C19 C17 C20 C21 -28.9(5) . .
C18 C17 C20 C21 -157.2(4) . .
N4 C16 C23 C24 156.2(4) . .
N5 C16 C23 C24 -27.9(6) . .
N4 C16 C23 C28 -24.9(6) . .
N5 C16 C23 C28 151.0(4) . .
C28 C23 C24 C25 -2.1(6) . .
C16 C23 C24 C25 176.9(4) . .
C23 C24 C25 C26 -0.3(7) . .
C29 N6 C26 C25 16.2(7) . .
C30 N6 C26 C25 174.6(4) . .
C29 N6 C26 C27 -163.5(4) . .
C30 N6 C26 C27 -5.1(6) . .
C24 C25 C26 N6 -176.7(4) . .
C24 C25 C26 C27 3.0(6) . .
N6 C26 C27 C28 176.2(4) . .
C25 C26 C27 C28 -3.5(6) . .
C26 C27 C28 C23 1.2(6) . .
C24 C23 C28 C27 1.6(6) . .
C16 C23 C28 C27 -177.4(4) . .
Tb1 O5 C32 C33 -7.6(7) . .
Tb1 O5 C32 C31 172.1(3) . .
F2 C31 C32 O5 -64.2(6) . .
F1 C31 C32 O5 56.5(6) . .
F3 C31 C32 O5 176.9(4) . .
F2 C31 C32 C33 115.6(5) . .
F1 C31 C32 C33 -123.8(5) . .
F3 C31 C32 C33 -3.3(6) . .
O5 C32 C33 C34 1.6(7) . .
C31 C32 C33 C34 -178.1(4) . .
Tb1 O6 C34 C33 5.8(7) . .
Tb1 O6 C34 C35 -171.9(3) . .
C32 C33 C34 O6 -0.5(7) . .
C32 C33 C34 C35 177.1(4) . .
O6 C34 C35 F6 -36.5(5) . .
C33 C34 C35 F6 145.5(4) . .
O6 C34 C35 F5 -158.6(4) . .
C33 C34 C35 F5 23.4(6) . .
O6 C34 C35 F4 82.3(4) . .
C33 C34 C35 F4 -95.7(5) . .
Tb1 O7 C37 C38 9.7(6) . .
Tb1 O7 C37 C36 -171.7(2) . .
F7 C36 C37 O7 -52.1(5) . .
F8 C36 C37 O7 67.7(5) . .
F9 C36 C37 O7 -173.3(3) . .
F7 C36 C37 C38 126.7(4) . .
F8 C36 C37 C38 -113.6(4) . .
F9 C36 C37 C38 5.4(5) . .
O7 C37 C38 C39 0.5(6) . .
C36 C37 C38 C39 -178.1(4) . .
Tb1 O8 C39 C38 -11.1(6) . .
Tb1 O8 C39 C40 169.1(3) . .
C37 C38 C39 O8 0.2(7) . .
C37 C38 C39 C40 -179.9(4) . .
O8 C39 C40 F11 -66.4(5) . .
C38 C39 C40 F11 113.7(4) . .
O8 C39 C40 F12 53.8(5) . .
C38 C39 C40 F12 -126.1(4) . .
O8 C39 C40 F10 172.7(4) . .
C38 C39 C40 F10 -7.1(6) . .
Tb1 O9 C42 C43 6.5(8) . .
Tb1 O9 C42 C41 -171.3(3) . .
F14 C41 C42 O9 -37.4(7) . .
F13 C41 C42 O9 81.3(6) . .
F15 C41 C42 O9 -158.3(5) . .
F14 C41 C42 C43 144.5(5) . .
F13 C41 C42 C43 -96.8(6) . .
F15 C41 C42 C43 23.6(7) . .
O9 C42 C43 C44 0.2(8) . .
C41 C42 C43 C44 178.0(5) . .
Tb1 O10 C44 C43 -6.7(7) . .
Tb1 O10 C44 C45 172.9(3) . .
C42 C43 C44 O10 0.0(8) . .
C42 C43 C44 C45 -179.6(5) . .
O10 C44 C45 F16' -163.6(16) . .
C43 C44 C45 F16' 16.1(18) . .
O10 C44 C45 F17 39.7(12) . .
C43 C44 C45 F17 -140.6(11) . .
O10 C44 C45 F18 -81.4(10) . .
C43 C44 C45 F18 98.3(10) . .
O10 C44 C45 F16 161.9(7) . .
C43 C44 C45 F16 -18.4(9) . .
O10 C44 C45 F17' 66.7(11) . .
C43 C44 C45 F17' -113.6(10) . .
O10 C44 C45 F18' -32.9(13) . .
C43 C44 C45 F18' 146.8(11) . .
O11 N7 C46 N8 177.7(3) . .
C47 N7 C46 N8 3.3(5) . .
O11 N7 C46 C53 1.2(7) . .
C47 N7 C46 C53 -173.2(4) . .
O12 N8 C46 N7 -179.0(4) . .
C50 N8 C46 N7 4.7(5) . .
O12 N8 C46 C53 -2.3(7) . .
C50 N8 C46 C53 -178.6(4) . .
O11 N7 C47 C49 -62.8(5) . .
C46 N7 C47 C49 111.9(4) . .
O11 N7 C47 C48 55.4(5) . .
C46 N7 C47 C48 -129.8(4) . .
O11 N7 C47 C50 176.0(3) . .
C46 N7 C47 C50 -9.2(4) . .
O12 N8 C50 C51 53.1(5) . .
C46 N8 C50 C51 -130.5(4) . .
O12 N8 C50 C52 -65.2(5) . .
C46 N8 C50 C52 111.2(4) . .
O12 N8 C50 C47 173.6(4) . .
C46 N8 C50 C47 -10.0(4) . .
N7 C47 C50 N8 10.4(4) . .
C49 C47 C50 N8 -104.0(4) . .
C48 C47 C50 N8 127.2(4) . .
N7 C47 C50 C51 126.2(4) . .
C49 C47 C50 C51 11.9(6) . .
C48 C47 C50 C51 -116.9(4) . .
N7 C47 C50 C52 -104.8(4) . .
C49 C47 C50 C52 140.8(4) . .
C48 C47 C50 C52 12.0(5) . .
N7 C46 C53 C58 32.0(6) . .
N8 C46 C53 C58 -144.0(4) . .
N7 C46 C53 C54 -150.0(4) . .
N8 C46 C53 C54 34.1(6) . .
C58 C53 C54 C55 -0.6(6) . .
C46 C53 C54 C55 -178.7(4) . .
C53 C54 C55 C56 1.6(6) . .
C59 N9 C56 C57 -6.9(6) . .
C60 N9 C56 C57 -165.2(4) . .
C59 N9 C56 C55 173.7(4) . .
C60 N9 C56 C55 15.4(6) . .
C54 C55 C56 N9 177.4(4) . .
C54 C55 C56 C57 -2.1(6) . .
N9 C56 C57 C58 -177.9(4) . .
C55 C56 C57 C58 1.5(6) . .
C56 C57 C58 C53 -0.6(6) . .
C54 C53 C58 C57 0.1(6) . .
C46 C53 C58 C57 178.2(4) . .
Tb2 O13 C62 C66 18.6(7) . 2
Tb2 O13 C62 C61 -163.1(3) . .
F21' C61 C62 O13 27.2(8) . .
F21 C61 C62 O13 -17.2(13) . .
F20' C61 C62 O13 167.5(8) . .
F20 C61 C62 O13 -173.8(12) . .
F19' C61 C62 O13 -80.9(5) . .
F19 C61 C62 O13 86.1(6) . .
F21' C61 C62 C66 -154.3(6) . 2
F21 C61 C62 C66 161.3(11) . 2
F20' C61 C62 C66 -14.0(10) . 2
F20 C61 C62 C66 4.8(13) . 2
F19' C61 C62 C66 97.7(5) . 2
F19 C61 C62 C66 -95.4(6) . 2
Tb2 O14 C65 C66 -11.8(7) . .
Tb2 O14 C65 C64 166.4(3) . .
F24 C64 C65 O14 156.1(4) . .
F22 C64 C65 O14 -82.2(5) . .
F23 C64 C65 O14 35.6(5) . .
F24 C64 C65 C66 -25.5(6) . .
F22 C64 C65 C66 96.2(5) . .
F23 C64 C65 C66 -146.0(4) . .
O14 C65 C66 C62 -2.8(7) . 2
C64 C65 C66 C62 179.1(4) . 2
Tb2 O15 C68 C69 0.4(6) . .
Tb2 O15 C68 C67 179.2(3) . .
F26 C67 C68 O15 -59.9(7) . .
F27' C67 C68 O15 146.2(9) . .
F25' C67 C68 O15 17.8(9) . .
F27 C67 C68 O15 -179.1(5) . .
F25 C67 C68 O15 63.1(6) . .
F26' C67 C68 O15 -94.6(10) . .
F26 C67 C68 C69 119.0(6) . .
F27' C67 C68 C69 -34.9(10) . .
F25' C67 C68 C69 -163.3(7) . .
F27 C67 C68 C69 -0.2(6) . .
F25 C67 C68 C69 -118.0(6) . .
F26' C67 C68 C69 84.4(10) . .
O15 C68 C69 C68 -0.2(3) . 2
C67 C68 C69 C68 -178.9(4) . 2
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.250 0.816 -0.016 1009 127 ' '
2 0.750 0.316 -0.016 1009 127 ' '
