#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/25/7112545.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_7112545
loop_
_publ_author_name
'Gong, Han-Yuan'
'Rambo, Brett M.'
'Nelson, Cory A.'
'Lynch, Vincent M.'
'Zhu, Xiaoyang'
'Sessler, Jonathan L.'
_publ_section_title
;
 Rare-earth cation effects on three-dimensional metal-organic rotaxane
 framework (MORF) self assembly.
;
_journal_issue                   82
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10186
_journal_page_last               10188
_journal_paper_doi               10.1039/c2cc34200f
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C79.5 H81.5 N10.5 O32.5 Tb2'
_chemical_formula_weight         2021.89
_chemical_name_common
;
cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4-
dimethylenebenzene)_ 5 terepht
;
_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                 97.64(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.896(5)
_cell_length_b                   11.350(2)
_cell_length_c                   32.793(7)
_cell_measurement_reflns_used    15291
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      0.99
_cell_volume                     8815(3)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics
;
XP, Shelxtl-Plus Version 5.1, Bruker AXS, 1998.
;
_computing_publication_material
;
XCIF, Shelxtl-Plus Version 5.1, Bruker AXS, 1998.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device
;
Mercury2 (2x2 bin mode)
;
_diffrn_measurement_method       dtprofit.ref
_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  0.1559
_diffrn_reflns_av_sigmaI/netI    0.1791
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            51864
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         0.99
_exptl_absorpt_coefficient_mu    1.680
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4088
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.541
_refine_diff_density_min         -1.278
_refine_diff_density_rms         0.189
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1134
_refine_ls_number_reflns         15291
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.1493
_refine_ls_R_factor_gt           0.0774
_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)+(0.0500P)²+110.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1876
_refine_ls_wR_factor_ref         0.2410
_reflns_number_gt                8243
_reflns_number_total             15291
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             7108435
_cod_data_source_file            c2cc34200f.txt
_cod_data_source_block           MORF-Tb
_cod_depositor_comments
;
The following automatic conversions were performed:

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

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/retrospective/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 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P21/n
_cod_original_formula_sum        'C79.50 H81.50 N10.50 O32.50 Tb2'
_cod_database_code               7112545
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 0.58539(3) 0.75897(6) 0.374452(18) 0.03138(19) Uani 1 1 d . . .
Tb2 Tb 0.87446(3) 0.26576(6) 0.601126(18) 0.03091(19) Uani 1 1 d . . .
O1W O 0.5870(5) 0.8810(11) 0.3159(4) 0.074(4) Uani 1 1 d . . .
O1 O 0.5014(4) 0.7138(9) 0.3230(3) 0.053(3) Uani 1 1 d . . .
O2 O 0.5759(4) 0.6102(9) 0.3215(3) 0.047(3) Uani 1 1 d . . .
O2W O 0.8327(5) 0.4049(9) 0.6408(3) 0.053(3) Uani 1 1 d . . .
O3 O 0.5321(4) 0.5980(8) 0.3989(3) 0.041(2) Uani 1 1 d . . .
O3W O 0.3306(13) 1.346(3) 0.4148(11) 0.108(8) Uani 0.50 1 d P A 1
O3WA O 0.2706(13) 1.297(3) 0.3768(11) 0.108(8) Uani 0.50 1 d P B 2
O4 O 0.5912(4) 0.6890(9) 0.4462(3) 0.041(2) Uani 1 1 d . . .
O4W O 0.7643(8) 0.077(3) 0.6795(7) 0.103(12) Uani 0.50 1 d P . .
O5 O 0.5213(4) 0.8791(9) 0.3989(3) 0.049(3) Uani 1 1 d . . .
O5W O 0.6029(13) 0.160(4) 0.2003(17) 0.20(2) Uani 0.50 1 d P . .
O6 O 0.4622(5) 1.0208(10) 0.3884(4) 0.063(3) Uani 1 1 d . . .
O6W O 0.6863(9) 0.974(2) 0.3007(6) 0.064(7) Uani 0.50 1 d P . .
O7 O 0.6442(5) 0.8993(11) 0.4021(4) 0.073(4) Uani 1 1 d . . .
O7W O 0.668(2) 0.253(4) 0.2622(12) 0.20(2) Uani 0.50 1 d P . .
O8 O 0.7050(6) 1.0247(13) 0.3803(4) 0.081(4) Uani 1 1 d . . .
O8W O 0.6831(10) 0.144(4) 0.7266(8) 0.115(13) Uani 0.50 1 d P . .
O9 O 0.7895(4) 1.1779(10) 0.5868(3) 0.050(3) Uani 1 1 d . . .
O9W O 0.7268(8) 0.743(2) 0.2805(6) 0.069(7) Uani 0.50 1 d P . .
O10 O 0.7216(6) 1.0701(12) 0.6042(4) 0.079(4) Uani 1 1 d . . .
O10W O 0.6897(10) -0.038(2) 0.7823(7) 0.071(8) Uani 0.50 1 d P . .
O11 O 0.6686(4) 0.6689(10) 0.3775(3) 0.051(3) Uani 1 1 d . . .
O11W O 0.6630(8) 0.452(2) 0.3059(7) 0.059(7) Uani 0.50 1 d P . .
O12 O 0.7457(5) 0.6093(12) 0.3551(4) 0.073(4) Uani 1 1 d . . .
O12W O 0.4212(6) 0.8846(16) 0.3218(5) 0.121(7) Uani 1 1 d . . .
O13 O 0.8290(4) 0.3953(9) 0.5543(3) 0.051(3) Uani 1 1 d . . .
O13W O 0.9953(6) 0.4447(13) 0.6882(4) 0.089(5) Uani 1 1 d . . .
O14 O 0.7845(4) 0.5422(10) 0.5797(3) 0.053(3) Uani 1 1 d . . .
O14W O 0.6465(6) 0.8794(13) 0.6153(5) 0.100(5) Uani 1 1 d . . .
O15 O 0.9359(5) 0.2475(9) 0.6656(3) 0.061(3) Uani 1 1 d . . .
O15W O 0.4941(7) -0.0311(13) 0.2633(5) 0.107(5) Uani 1 1 d . . .
O16 O 0.8695(4) 0.1205(11) 0.6568(3) 0.057(3) Uani 1 1 d . . .
O16W O 0.7731(18) -0.168(5) 0.6768(17) 0.21(3) Uani 0.50 1 d P . .
O17 O 0.9421(4) 0.1086(9) 0.5911(3) 0.049(3) Uani 1 1 d . . .
O17W O 0.7819(14) -0.142(4) 0.7562(10) 0.129(14) Uani 0.50 1 d P . .
O18 O 0.8916(4) 0.1817(9) 0.5370(3) 0.042(2) Uani 1 1 d . . .
O19 O 0.9446(4) 0.3855(10) 0.5908(3) 0.054(3) Uani 1 1 d . . .
O20 O 1.0024(6) 0.5297(12) 0.6132(4) 0.082(4) Uani 1 1 d . . .
O21 O 1.1259(15) 0.786(4) 0.5969(11) 0.153(10) Uani 0.50 1 d PDU . .
N1 N 0.3675(5) 0.6654(11) 0.3968(4) 0.048(3) Uani 1 1 d . . .
N2 N 0.3650(5) 0.5189(11) 0.3537(4) 0.044(3) Uani 1 1 d . . .
N3 N 0.4331(5) 0.3892(11) 0.3443(4) 0.048(3) Uani 1 1 d . . .
N4 N 0.5110(5) 0.2730(11) 0.3418(4) 0.043(3) Uani 1 1 d . . .
N5 N 0.5928(5) 0.2963(11) 0.3723(4) 0.052(4) Uani 1 1 d . . .
N6 N 0.8830(6) -0.1855(12) 0.6153(5) 0.059(4) Uani 1 1 d . . .
N7 N 0.9601(6) -0.2040(12) 0.6551(4) 0.053(4) Uani 1 1 d . . .
N8 N 1.0364(5) -0.0865(12) 0.6572(4) 0.048(3) Uani 1 1 d . . .
N9 N 1.1113(6) 0.0378(14) 0.6555(5) 0.069(4) Uani 1 1 d . . .
N10 N 1.1166(7) 0.1810(14) 0.6145(6) 0.078(5) Uani 1 1 d . . .
N11 N 1.1603(14) 0.662(3) 0.6493(12) 0.153(10) Uani 0.50 1 d PDU . .
C1 C 0.3824(5) 0.7190(12) 0.4710(5) 0.039(3) Uani 1 1 d . . .
C2 C 0.3901(6) 0.7510(13) 0.4265(5) 0.051(4) Uani 1 1 d . . .
H2A H 0.3720 0.8262 0.4196 0.061 Uiso 1 1 calc R . .
H2B H 0.4301 0.7604 0.4249 0.061 Uiso 1 1 calc R . .
C3 C 0.3965(6) 0.5874(14) 0.3767(5) 0.046(4) Uani 1 1 d . . .
H3A H 0.4357 0.5845 0.3795 0.055 Uiso 1 1 calc R . .
C4 C 0.3149(7) 0.6447(17) 0.3815(7) 0.071(6) Uani 1 1 d . . .
H4A H 0.2842 0.6866 0.3887 0.085 Uiso 1 1 calc R . .
C5 C 0.3106(7) 0.5560(15) 0.3543(6) 0.059(5) Uani 1 1 d . . .
H5A H 0.2779 0.5264 0.3392 0.071 Uiso 1 1 calc R . .
C6 C 0.3823(6) 0.4168(14) 0.3331(5) 0.046(4) Uani 1 1 d . . .
C7 C 0.3471(6) 0.3611(16) 0.3034(5) 0.060(5) Uani 1 1 d . . .
H7A H 0.3107 0.3886 0.2951 0.072 Uiso 1 1 calc R . .
C8 C 0.3675(8) 0.2624(17) 0.2859(6) 0.071(5) Uani 1 1 d . . .
H8A H 0.3447 0.2192 0.2661 0.085 Uiso 1 1 calc R . .
C9 C 0.4225(7) 0.2293(16) 0.2987(5) 0.060(5) Uani 1 1 d . . .
H9A H 0.4383 0.1626 0.2883 0.072 Uiso 1 1 calc R . .
C10 C 0.4519(7) 0.2982(14) 0.3269(5) 0.050(4) Uani 1 1 d . . .
C11 C 0.5433(6) 0.3444(14) 0.3638(5) 0.042(4) Uani 1 1 d . . .
H11A H 0.5331 0.4186 0.3723 0.050 Uiso 1 1 calc R . .
C12 C 0.5406(7) 0.1745(15) 0.3337(6) 0.060(5) Uani 1 1 d . . .
H12A H 0.5269 0.1097 0.3181 0.072 Uiso 1 1 calc R . .
C13 C 0.5905(8) 0.1896(16) 0.3517(6) 0.068(5) Uani 1 1 d . . .
H13A H 0.6205 0.1377 0.3511 0.082 Uiso 1 1 calc R . .
C14 C 0.6393(6) 0.3409(16) 0.4037(6) 0.059(5) Uani 1 1 d . . .
H14A H 0.6743 0.3030 0.3992 0.071 Uiso 1 1 calc R . .
H14B H 0.6437 0.4249 0.3997 0.071 Uiso 1 1 calc R . .
C15 C 0.6292(6) 0.3194(14) 0.4469(5) 0.047(4) Uani 1 1 d . . .
C16 C 0.6062(6) 0.2188(14) 0.4583(5) 0.051(4) Uani 1 1 d . . .
H16A H 0.5941 0.1613 0.4389 0.061 Uiso 1 1 calc R . .
C17 C 0.6007(6) 0.2019(14) 0.4986(6) 0.051(4) Uani 1 1 d . . .
H17A H 0.5844 0.1320 0.5059 0.061 Uiso 1 1 calc R . .
C18 C 0.6464(7) 0.3981(15) 0.4757(6) 0.056(4) Uani 1 1 d . . .
H18A H 0.6624 0.4677 0.4677 0.067 Uiso 1 1 calc R . .
C19 C 0.6419(6) 0.3818(13) 0.5185(6) 0.052(4) Uani 1 1 d . . .
H19A H 0.6550 0.4381 0.5381 0.062 Uiso 1 1 calc R . .
C20 C 0.8405(7) -0.1483(17) 0.5775(6) 0.066(5) Uani 1 1 d . . .
H20A H 0.8047 -0.1874 0.5792 0.079 Uiso 1 1 calc R . .
H20B H 0.8341 -0.0641 0.5790 0.079 Uiso 1 1 calc R . .
C21 C 0.9304(6) -0.1351(14) 0.6276(5) 0.046(4) Uani 1 1 d . . .
H21A H 0.9419 -0.0623 0.6187 0.055 Uiso 1 1 calc R . .
C22 C 0.8818(9) -0.2918(19) 0.6381(8) 0.094(8) Uani 1 1 d . . .
H22A H 0.8519 -0.3449 0.6363 0.113 Uiso 1 1 calc R . .
C23 C 0.9261(9) -0.3008(17) 0.6600(7) 0.081(7) Uani 1 1 d . . .
H23A H 0.9362 -0.3636 0.6776 0.097 Uiso 1 1 calc R . .
C24 C 1.0149(6) -0.1777(15) 0.6741(5) 0.049(4) Uani 1 1 d . . .
C25 C 1.0387(8) -0.2482(18) 0.7053(6) 0.075(6) Uani 1 1 d . . .
H25A H 1.0203 -0.3128 0.7148 0.090 Uiso 1 1 calc R . .
C26 C 1.0954(8) -0.2129(18) 0.7222(6) 0.073(6) Uani 1 1 d . . .
H26A H 1.1151 -0.2554 0.7437 0.087 Uiso 1 1 calc R . .
C27 C 1.1195(7) -0.118(2) 0.7068(5) 0.075(7) Uani 1 1 d . . .
H27A H 1.1553 -0.0918 0.7174 0.091 Uiso 1 1 calc R . .
C28 C 1.0866(8) -0.0626(16) 0.6732(6) 0.062(5) Uani 1 1 d . . .
C29 C 1.0804(7) 0.1046(15) 0.6269(5) 0.052(4) Uani 1 1 d . . .
H29A H 1.0419 0.0985 0.6178 0.062 Uiso 1 1 calc R . .
C30 C 1.1647(7) 0.070(2) 0.6605(7) 0.107(9) Uani 1 1 d . . .
H30A H 1.1938 0.0349 0.6779 0.128 Uiso 1 1 calc R . .
C31 C 1.1693(9) 0.162(2) 0.6361(8) 0.109(10) Uani 1 1 d . . .
H31A H 1.2019 0.2050 0.6340 0.130 Uiso 1 1 calc R . .
C32 C 1.1010(8) 0.2667(18) 0.5804(7) 0.082(6) Uani 1 1 d . . .
H32A H 1.1193 0.3414 0.5879 0.098 Uiso 1 1 calc R . .
H32B H 1.0606 0.2797 0.5773 0.098 Uiso 1 1 calc R . .
C33 C 1.1170(6) 0.2281(15) 0.5400(6) 0.050(4) Uani 1 1 d . . .
C34 C 1.1059(8) 0.3012(18) 0.5109(7) 0.079(6) Uani 1 1 d . . .
H34A H 1.0907 0.3738 0.5168 0.095 Uiso 1 1 calc R . .
C35 C 1.1160(7) 0.2766(17) 0.4671(7) 0.080(7) Uani 1 1 d . . .
H35A H 1.1048 0.3288 0.4457 0.096 Uiso 1 1 calc R . .
C36 C 1.1422(6) 0.1746(14) 0.4612(6) 0.054(5) Uani 1 1 d . . .
C37 C 1.1550(8) 0.1018(18) 0.4932(7) 0.070(6) Uani 1 1 d . . .
H37A H 1.1743 0.0323 0.4895 0.084 Uiso 1 1 calc R . .
C38 C 1.1406(8) 0.1270(18) 0.5306(9) 0.090(8) Uani 1 1 d . . .
H38A H 1.1476 0.0703 0.5511 0.108 Uiso 1 1 calc R . .
C39 C 0.5272(7) 0.6316(14) 0.3088(5) 0.044(4) Uani 1 1 d . . .
C40 C 0.4939(6) 0.5565(13) 0.2727(4) 0.040(4) Uani 1 1 d . . .
C41 C 0.4422(6) 0.5839(13) 0.2572(5) 0.043(4) Uani 1 1 d . . .
H41A H 0.4242 0.6493 0.2665 0.052 Uiso 1 1 calc R . .
C42 C 0.5219(6) 0.4617(14) 0.2594(5) 0.047(4) Uani 1 1 d . . .
H42A H 0.5586 0.4437 0.2710 0.056 Uiso 1 1 calc R . .
C43 C 0.5530(6) 0.6183(13) 0.4369(4) 0.039(3) Uani 1 1 d . . .
C44 C 0.5248(6) 0.5558(12) 0.4701(4) 0.039(3) Uani 1 1 d . . .
C45 C 0.5368(6) 0.5914(13) 0.5100(4) 0.041(4) Uani 1 1 d . . .
H45A H 0.5625 0.6522 0.5167 0.049 Uiso 1 1 calc R . .
C46 C 0.4886(6) 0.4618(14) 0.4597(4) 0.045(4) Uani 1 1 d . . .
H46A H 0.4817 0.4354 0.4327 0.054 Uiso 1 1 calc R . .
C47 C 0.4935(6) 0.9585(13) 0.4117(5) 0.0389(17) Uani 1 1 d . . .
C48 C 0.4976(6) 0.9805(13) 0.4564(5) 0.0389(17) Uani 1 1 d . . .
C49 C 0.5317(6) 0.9122(12) 0.4854(4) 0.0389(17) Uani 1 1 d . . .
H49A H 0.5535 0.8526 0.4761 0.047 Uiso 1 1 calc R . .
C50 C 0.5341(6) 0.9303(12) 0.5274(5) 0.0389(17) Uani 1 1 d . . .
H50A H 0.5572 0.8822 0.5454 0.047 Uiso 1 1 calc R . .
C51 C 0.6821(7) 0.9753(15) 0.4087(6) 0.054(4) Uani 1 1 d . . .
C52 C 0.7019(6) 1.0079(11) 0.4522(4) 0.037(3) Uani 1 1 d . . .
C53 C 0.6836(6) 0.9458(12) 0.4848(5) 0.040(3) Uani 1 1 d . . .
H53A H 0.6615 0.8790 0.4789 0.048 Uiso 1 1 calc R . .
C54 C 0.6968(6) 0.9789(14) 0.5239(6) 0.050(4) Uani 1 1 d . . .
H54A H 0.6823 0.9360 0.5443 0.060 Uiso 1 1 calc R . .
C55 C 0.7318(6) 1.0757(13) 0.5355(5) 0.041(4) Uani 1 1 d . . .
C56 C 0.7501(6) 1.1379(13) 0.5017(5) 0.044(4) Uani 1 1 d . . .
H56A H 0.7725 1.2045 0.5072 0.053 Uiso 1 1 calc R . .
C57 C 0.7362(6) 1.1035(13) 0.4613(5) 0.039(3) Uani 1 1 d . . .
H57A H 0.7500 1.1451 0.4403 0.047 Uiso 1 1 calc R . .
C58 C 0.7510(7) 1.1100(14) 0.5771(5) 0.048(4) Uani 1 1 d . . .
C59 C 0.7161(6) 0.6256(14) 0.3818(5) 0.041(4) Uani 1 1 d . . .
C60 C 0.7421(6) 0.5943(13) 0.4260(5) 0.038(3) Uani 1 1 d . . .
C61 C 0.7750(6) 0.4985(15) 0.4331(5) 0.047(4) Uani 1 1 d . . .
H61A H 0.7850 0.4556 0.4110 0.057 Uiso 1 1 calc R . .
C62 C 0.7943(6) 0.4630(13) 0.4730(5) 0.050(4) Uani 1 1 d . . .
H62A H 0.8168 0.3961 0.4774 0.060 Uiso 1 1 calc R . .
C63 C 0.7804(6) 0.5265(12) 0.5066(5) 0.043(4) Uani 1 1 d . . .
C64 C 0.7455(6) 0.6233(12) 0.4982(4) 0.039(3) Uani 1 1 d . . .
H64A H 0.7337 0.6655 0.5198 0.047 Uiso 1 1 calc R . .
C65 C 0.7281(6) 0.6583(13) 0.4585(5) 0.043(4) Uani 1 1 d . . .
H65A H 0.7065 0.7263 0.4536 0.051 Uiso 1 1 calc R . .
C66 C 0.8003(6) 0.4829(13) 0.5507(5) 0.041(4) Uani 1 1 d . . .
C67 C 0.9118(6) 0.1513(15) 0.6754(5) 0.0447(19) Uani 1 1 d . . .
C68 C 0.9432(6) 0.0841(14) 0.7117(5) 0.0447(19) Uani 1 1 d . . .
C69 C 0.9159(6) -0.0137(14) 0.7270(4) 0.0447(19) Uani 1 1 d . . .
H69A H 0.8788 -0.0304 0.7161 0.054 Uiso 1 1 calc R . .
C70 C 0.9940(6) 0.1069(14) 0.7282(4) 0.0447(19) Uani 1 1 d . . .
H70A H 1.0125 0.1714 0.7188 0.054 Uiso 1 1 calc R . .
C71 C 0.9337(6) 0.1202(13) 0.5551(5) 0.041(4) Uani 1 1 d . . .
C72 C 0.9674(5) 0.0571(12) 0.5252(5) 0.038(4) Uani 1 1 d . . .
C73 C 1.0025(7) -0.0326(14) 0.5407(5) 0.050(4) Uani 1 1 d . . .
H73A H 1.0028 -0.0562 0.5679 0.060 Uiso 1 1 calc R . .
C74 C 0.9633(7) 0.0874(13) 0.4833(5) 0.052(4) Uani 1 1 d . . .
H74A H 0.9376 0.1441 0.4723 0.062 Uiso 1 1 calc R . .
C75 C 0.9765(7) 0.4662(14) 0.5835(5) 0.048(4) Uani 1 1 d . . .
C76 C 0.9890(6) 0.4832(12) 0.5403(5) 0.040(4) Uani 1 1 d . . .
C77 C 0.9642(7) 0.4158(15) 0.5097(5) 0.051(4) Uani 1 1 d . . .
H77A H 0.9397 0.3564 0.5156 0.062 Uiso 1 1 calc R . .
C78 C 1.0259(6) 0.5677(13) 0.5306(5) 0.049(4) Uani 1 1 d . . .
H78A H 1.0446 0.6148 0.5513 0.058 Uiso 1 1 calc R . .
C79 C 1.1182(14) 0.700(4) 0.6202(16) 0.153(10) Uani 0.50 1 d PDU . .
C80 C 1.2142(15) 0.725(4) 0.6531(16) 0.153(10) Uani 0.50 1 d PDU . .
C81 C 1.163(2) 0.545(4) 0.6669(17) 0.153(10) Uani 0.50 1 d PDU . .
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'
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
O11 Tb1 O7 78.4(4) . .
O11 Tb1 O5 154.0(4) . .
O7 Tb1 O5 81.2(4) . .
O11 Tb1 O1W 101.1(4) . .
O7 Tb1 O1W 80.5(5) . .
O5 Tb1 O1W 91.1(4) . .
O11 Tb1 O2 73.1(4) . .
O7 Tb1 O2 141.8(4) . .
O5 Tb1 O2 132.1(3) . .
O1W Tb1 O2 80.5(4) . .
O11 Tb1 O3 98.3(4) . .
O7 Tb1 O3 137.1(4) . .
O5 Tb1 O3 85.8(4) . .
O1W Tb1 O3 140.7(4) . .
O2 Tb1 O3 73.0(3) . .
O11 Tb1 O4 82.7(3) . .
O7 Tb1 O4 83.7(4) . .
O5 Tb1 O4 79.2(4) . .
O1W Tb1 O4 162.6(4) . .
O2 Tb1 O4 116.7(3) . .
O3 Tb1 O4 53.7(3) . .
O11 Tb1 O1 124.7(4) . .
O7 Tb1 O1 145.7(4) . .
O5 Tb1 O1 80.9(3) . .
O1W Tb1 O1 70.8(4) . .
O2 Tb1 O1 51.6(3) . .
O3 Tb1 O1 70.0(3) . .
O4 Tb1 O1 121.0(3) . .
O11 Tb1 C43 92.2(4) . .
O7 Tb1 C43 109.3(5) . .
O5 Tb1 C43 79.6(4) . .
O1W Tb1 C43 164.9(4) . .
O2 Tb1 C43 96.9(4) . .
O3 Tb1 C43 27.8(4) . .
O4 Tb1 C43 26.0(4) . .
O1 Tb1 C43 95.8(4) . .
O11 Tb1 C39 98.4(4) . .
O7 Tb1 C39 154.1(5) . .
O5 Tb1 C39 106.9(4) . .
O1W Tb1 C39 74.9(5) . .
O2 Tb1 C39 25.3(4) . .
O3 Tb1 C39 68.7(4) . .
O4 Tb1 C39 121.7(4) . .
O1 Tb1 C39 26.3(4) . .
C43 Tb1 C39 96.4(4) . .
O19 Tb2 O9 156.5(4) . 1_545
O19 Tb2 O13 78.8(4) . .
O9 Tb2 O13 79.1(4) 1_545 .
O19 Tb2 O2W 93.4(4) . .
O9 Tb2 O2W 88.6(4) 1_545 .
O13 Tb2 O2W 75.0(4) . .
O19 Tb2 O18 83.6(4) . .
O9 Tb2 O18 84.0(4) 1_545 .
O13 Tb2 O18 77.8(4) . .
O2W Tb2 O18 152.7(3) . .
O19 Tb2 O15 78.6(4) . .
O9 Tb2 O15 124.7(4) 1_545 .
O13 Tb2 O15 145.0(4) . .
O2W Tb2 O15 80.0(4) . .
O18 Tb2 O15 125.4(4) . .
O19 Tb2 O17 84.3(4) . .
O9 Tb2 O17 104.0(4) 1_545 .
O13 Tb2 O17 129.6(3) . .
O2W Tb2 O17 153.7(4) . .
O18 Tb2 O17 53.2(3) . .
O15 Tb2 O17 73.8(4) . .
O19 Tb2 O16 129.2(4) . .
O9 Tb2 O16 74.3(4) 1_545 .
O13 Tb2 O16 148.9(4) . .
O2W Tb2 O16 88.5(4) . .
O18 Tb2 O16 114.4(4) . .
O15 Tb2 O16 51.7(4) . .
O17 Tb2 O16 73.3(4) . .
O19 Tb2 C71 80.2(4) . .
O9 Tb2 C71 97.8(4) 1_545 .
O13 Tb2 C71 104.5(4) . .
O2W Tb2 C71 173.5(4) . .
O18 Tb2 C71 28.2(4) . .
O15 Tb2 C71 97.6(4) . .
O17 Tb2 C71 25.3(4) . .
O16 Tb2 C71 94.8(4) . .
O19 Tb2 C67 104.9(5) . .
O9 Tb2 C67 98.6(4) 1_545 .
O13 Tb2 C67 161.4(4) . .
O2W Tb2 C67 86.5(4) . .
O18 Tb2 C67 120.5(4) . .
O15 Tb2 C67 27.5(4) . .
O17 Tb2 C67 69.0(4) . .
O16 Tb2 C67 24.5(4) . .
C71 Tb2 C67 94.1(5) . .
C39 O1 Tb1 90.8(9) . .
C39 O2 Tb1 95.8(9) . .
C43 O3 Tb1 91.8(9) . .
C43 O4 Tb1 91.6(8) . .
C47 O5 Tb1 169.1(11) . .
C51 O7 Tb1 164.8(13) . .
C58 O9 Tb2 165.6(12) . 1_565
C59 O11 Tb1 174.6(11) . .
C66 O13 Tb2 144.0(10) . .
C67 O15 Tb2 92.9(9) . .
C67 O16 Tb2 93.6(10) . .
C71 O17 Tb2 91.4(9) . .
C71 O18 Tb2 91.4(8) . .
C75 O19 Tb2 169.1(11) . .
C4 N1 C3 102.9(14) . .
C4 N1 C2 129.7(15) . .
C3 N1 C2 127.4(12) . .
C3 N2 C5 107.1(14) . .
C3 N2 C6 126.5(13) . .
C5 N2 C6 126.2(13) . .
C6 N3 C10 116.7(14) . .
C11 N4 C12 110.0(13) . .
C11 N4 C10 123.4(13) . .
C12 N4 C10 126.6(13) . .
C11 N5 C13 106.7(15) . .
C11 N5 C14 125.2(14) . .
C13 N5 C14 127.4(15) . .
C21 N6 C22 107.0(16) . .
C21 N6 C20 125.8(15) . .
C22 N6 C20 126.4(16) . .
C21 N7 C23 106.1(16) . .
C21 N7 C24 124.0(14) . .
C23 N7 C24 129.9(15) . .
C28 N8 C24 113.3(14) . .
C30 N9 C29 111.3(16) . .
C30 N9 C28 127.7(17) . .
C29 N9 C28 120.6(15) . .
C29 N10 C31 109.1(17) . .
C29 N10 C32 123.3(17) . .
C31 N10 C32 127.5(16) . .
C79 N11 C81 123.4(18) . .
C79 N11 C80 118.2(16) . .
C81 N11 C80 115.1(15) . .
C19 C1 C17 117.9(16) 3_666 3_666
C19 C1 C2 123.6(15) 3_666 .
C17 C1 C2 118.5(13) 3_666 .
N1 C2 C1 113.7(12) . .
N1 C2 H2A 108.8 . .
C1 C2 H2A 108.8 . .
N1 C2 H2B 108.8 . .
C1 C2 H2B 108.8 . .
H2A C2 H2B 107.7 . .
N2 C3 N1 113.2(13) . .
N2 C3 H3A 123.4 . .
N1 C3 H3A 123.4 . .
N1 C4 C5 112.0(16) . .
N1 C4 H4A 124.0 . .
C5 C4 H4A 124.0 . .
C4 C5 N2 104.6(15) . .
C4 C5 H5A 127.7 . .
N2 C5 H5A 127.7 . .
N3 C6 C7 125.1(16) . .
N3 C6 N2 113.0(13) . .
C7 C6 N2 121.8(14) . .
C6 C7 C8 117.3(16) . .
C6 C7 H7A 121.3 . .
C8 C7 H7A 121.3 . .
C7 C8 C9 118.1(17) . .
C7 C8 H8A 121.0 . .
C9 C8 H8A 121.0 . .
C10 C9 C8 116.4(17) . .
C10 C9 H9A 121.8 . .
C8 C9 H9A 121.8 . .
N3 C10 C9 126.3(16) . .
N3 C10 N4 112.7(14) . .
C9 C10 N4 121.0(15) . .
N4 C11 N5 108.6(14) . .
N4 C11 H11A 125.7 . .
N5 C11 H11A 125.7 . .
C13 C12 N4 106.1(15) . .
C13 C12 H12A 127.0 . .
N4 C12 H12A 127.0 . .
C12 C13 N5 108.5(16) . .
C12 C13 H13A 125.7 . .
N5 C13 H13A 125.7 . .
C15 C14 N5 113.5(12) . .
C15 C14 H14A 108.9 . .
N5 C14 H14A 108.9 . .
C15 C14 H14B 108.9 . .
N5 C14 H14B 108.9 . .
H14A C14 H14B 107.7 . .
C18 C15 C16 118.3(17) . .
C18 C15 C14 119.6(15) . .
C16 C15 C14 122.0(16) . .
C15 C16 C17 119.1(16) . .
C15 C16 H16A 120.4 . .
C17 C16 H16A 120.4 . .
C16 C17 C1 124.2(15) . 3_666
C16 C17 H17A 117.9 . .
C1 C17 H17A 117.9 3_666 .
C15 C18 C19 123.7(16) . .
C15 C18 H18A 118.2 . .
C19 C18 H18A 118.2 . .
C1 C19 C18 116.8(16) 3_666 .
C1 C19 H19A 121.6 3_666 .
C18 C19 H19A 121.6 . .
C36 C20 N6 114.7(13) 3_756 .
C36 C20 H20A 108.6 3_756 .
N6 C20 H20A 108.6 . .
C36 C20 H20B 108.6 3_756 .
N6 C20 H20B 108.6 . .
H20A C20 H20B 107.6 . .
N6 C21 N7 108.7(15) . .
N6 C21 H21A 125.7 . .
N7 C21 H21A 125.7 . .
C23 C22 N6 107.9(18) . .
C23 C22 H22A 126.0 . .
N6 C22 H22A 126.0 . .
C22 C23 N7 110.2(19) . .
C22 C23 H23A 124.9 . .
N7 C23 H23A 124.9 . .
N8 C24 C25 129.2(16) . .
N8 C24 N7 112.0(13) . .
C25 C24 N7 118.7(16) . .
C24 C25 C26 113.6(17) . .
C24 C25 H25A 123.2 . .
C26 C25 H25A 123.2 . .
C27 C26 C25 120.1(16) . .
C27 C26 H26A 120.0 . .
C25 C26 H26A 120.0 . .
C26 C27 C28 115.2(18) . .
C26 C27 H27A 122.4 . .
C28 C27 H27A 122.4 . .
N8 C28 C27 128.4(17) . .
N8 C28 N9 114.7(16) . .
C27 C28 N9 116.9(18) . .
N10 C29 N9 105.2(15) . .
N10 C29 H29A 127.4 . .
N9 C29 H29A 127.4 . .
N9 C30 C31 107.4(18) . .
N9 C30 H30A 126.3 . .
C31 C30 H30A 126.3 . .
C30 C31 N10 106.9(17) . .
C30 C31 H31A 126.5 . .
N10 C31 H31A 126.5 . .
N10 C32 C33 114.0(17) . .
N10 C32 H32A 108.7 . .
C33 C32 H32A 108.7 . .
N10 C32 H32B 108.7 . .
C33 C32 H32B 108.7 . .
H32A C32 H32B 107.6 . .
C34 C33 C38 116(2) . .
C34 C33 C32 115.1(17) . .
C38 C33 C32 129(2) . .
C33 C34 C35 123.4(18) . .
C33 C34 H34A 118.3 . .
C35 C34 H34A 118.3 . .
C36 C35 C34 115.5(18) . .
C36 C35 H35A 122.2 . .
C34 C35 H35A 122.2 . .
C37 C36 C35 119(2) . .
C37 C36 C20 120.5(17) . 3_756
C35 C36 C20 120.4(19) . 3_756
C36 C37 C38 121(2) . .
C36 C37 H37A 119.3 . .
C38 C37 H37A 119.3 . .
C33 C38 C37 124(2) . .
C33 C38 H38A 118.0 . .
C37 C38 H38A 118.0 . .
O2 C39 O1 121.7(14) . .
O2 C39 C40 121.0(13) . .
O1 C39 C40 117.4(14) . .
O2 C39 Tb1 58.8(8) . .
O1 C39 Tb1 62.9(8) . .
C40 C39 Tb1 178.2(11) . .
C41 C40 C42 122.6(14) . .
C41 C40 C39 121.1(13) . .
C42 C40 C39 116.2(14) . .
C40 C41 C69 117.7(14) . 4_565
C40 C41 H41A 121.1 . .
C69 C41 H41A 121.1 4_565 .
C40 C42 C70 117.9(14) . 4_565
C40 C42 H42A 121.0 . .
C70 C42 H42A 121.0 4_565 .
O4 C43 O3 122.3(14) . .
O4 C43 C44 120.7(13) . .
O3 C43 C44 116.8(13) . .
O4 C43 Tb1 62.4(8) . .
O3 C43 Tb1 60.4(7) . .
C44 C43 Tb1 168.8(10) . .
C45 C44 C46 120.7(14) . .
C45 C44 C43 119.3(14) . .
C46 C44 C43 120.0(13) . .
C44 C45 C46 120.5(14) . 3_666
C44 C45 H45A 119.8 . .
C46 C45 H45A 119.8 3_666 .
C45 C46 C44 118.8(14) 3_666 .
C45 C46 H46A 120.6 3_666 .
C44 C46 H46A 120.6 . .
O6 C47 O5 121.6(15) . .
O6 C47 C48 118.6(13) . .
O5 C47 C48 119.8(14) . .
C49 C48 C50 115.8(14) . 3_676
C49 C48 C47 122.4(13) . .
C50 C48 C47 121.8(14) 3_676 .
C50 C49 C48 122.4(14) . .
C50 C49 H49A 118.8 . .
C48 C49 H49A 118.8 . .
C49 C50 C48 121.8(15) . 3_676
C49 C50 H50A 119.1 . .
C48 C50 H50A 119.1 3_676 .
O7 C51 O8 123.5(17) . .
O7 C51 C52 117.9(17) . .
O8 C51 C52 118.6(15) . .
C57 C52 C53 118.3(13) . .
C57 C52 C51 120.7(15) . .
C53 C52 C51 121.0(13) . .
C54 C53 C52 122.4(13) . .
C54 C53 H53A 118.8 . .
C52 C53 H53A 118.8 . .
C53 C54 C55 122.4(15) . .
C53 C54 H54A 118.8 . .
C55 C54 H54A 118.8 . .
C54 C55 C56 114.2(14) . .
C54 C55 C58 125.0(15) . .
C56 C55 C58 120.7(14) . .
C57 C56 C55 123.0(14) . .
C57 C56 H56A 118.5 . .
C55 C56 H56A 118.5 . .
C52 C57 C56 119.6(14) . .
C52 C57 H57A 120.2 . .
C56 C57 H57A 120.2 . .
O9 C58 O10 120.6(16) . .
O9 C58 C55 124.0(15) . .
O10 C58 C55 115.3(15) . .
O12 C59 O11 126.7(15) . .
O12 C59 C60 116.3(13) . .
O11 C59 C60 116.9(13) . .
C61 C60 C65 119.5(14) . .
C61 C60 C59 120.2(14) . .
C65 C60 C59 120.1(13) . .
C60 C61 C62 120.8(15) . .
C60 C61 H61A 119.6 . .
C62 C61 H61A 119.6 . .
C61 C62 C63 120.7(14) . .
C61 C62 H62A 119.7 . .
C63 C62 H62A 119.7 . .
C64 C63 C62 116.9(14) . .
C64 C63 C66 123.1(14) . .
C62 C63 C66 119.9(12) . .
C65 C64 C63 121.2(15) . .
C65 C64 H64A 119.4 . .
C63 C64 H64A 119.4 . .
C60 C65 C64 120.8(14) . .
C60 C65 H65A 119.6 . .
C64 C65 H65A 119.6 . .
O13 C66 O14 126.0(14) . .
O13 C66 C63 117.3(13) . .
O14 C66 C63 116.7(13) . .
O16 C67 O15 120.5(14) . .
O16 C67 C68 124.2(15) . .
O15 C67 C68 115.2(14) . .
O16 C67 Tb2 61.9(8) . .
O15 C67 Tb2 59.6(7) . .
C68 C67 Tb2 168.0(10) . .
C70 C68 C69 117.6(14) . .
C70 C68 C67 124.4(15) . .
C69 C68 C67 117.9(14) . .
C41 C69 C68 122.0(15) 4_666 .
C41 C69 H69A 119.0 4_666 .
C68 C69 H69A 119.0 . .
C68 C70 C42 122.2(16) . 4_666
C68 C70 H70A 118.9 . .
C42 C70 H70A 118.9 4_666 .
O17 C71 O18 122.5(13) . .
O17 C71 C72 123.7(14) . .
O18 C71 C72 113.6(13) . .
O17 C71 Tb2 63.2(8) . .
O18 C71 Tb2 60.4(7) . .
C72 C71 Tb2 170.7(10) . .
C73 C72 C74 120.3(13) . .
C73 C72 C71 117.2(14) . .
C74 C72 C71 122.5(13) . .
C74 C73 C72 120.5(15) 3_756 .
C74 C73 H73A 119.8 3_756 .
C72 C73 H73A 119.8 . .
C73 C74 C72 119.0(15) 3_756 .
C73 C74 H74A 120.5 3_756 .
C72 C74 H74A 120.5 . .
O19 C75 O20 120.6(15) . .
O19 C75 C76 119.0(15) . .
O20 C75 C76 120.2(15) . .
C77 C76 C78 117.5(16) . .
C77 C76 C75 120.8(14) . .
C78 C76 C75 121.7(15) . .
C76 C77 C78 121.7(16) . 3_766
C76 C77 H77A 119.2 . .
C78 C77 H77A 119.2 3_766 .
C76 C78 C77 120.8(16) . 3_766
C76 C78 H78A 119.6 . .
C77 C78 H78A 119.6 3_766 .
O21 C79 N11 120.6(19) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O11 2.226(9) .
Tb1 O7 2.235(10) .
Tb1 O5 2.274(9) .
Tb1 O1W 2.373(12) .
Tb1 O2 2.412(10) .
Tb1 O3 2.424(9) .
Tb1 O4 2.470(10) .
Tb1 O1 2.497(10) .
Tb1 C43 2.786(15) .
Tb1 C39 2.805(15) .
Tb2 O19 2.220(10) .
Tb2 O9 2.255(9) 1_545
Tb2 O13 2.292(9) .
Tb2 O2W 2.351(10) .
Tb2 O18 2.395(9) .
Tb2 O15 2.417(10) .
Tb2 O17 2.459(9) .
Tb2 O16 2.475(11) .
Tb2 C71 2.753(13) .
Tb2 C67 2.800(15) .
O1 C39 1.243(17) .
O2 C39 1.207(17) .
O3 C43 1.300(17) .
O4 C43 1.223(17) .
O5 C47 1.227(16) .
O6 C47 1.221(17) .
O7 C51 1.248(19) .
O8 C51 1.27(2) .
O9 C58 1.210(18) .
O9 Tb2 2.255(9) 1_565
O10 C58 1.284(19) .
O11 C59 1.227(16) .
O12 C59 1.212(17) .
O13 C66 1.205(16) .
O14 C66 1.265(17) .
O15 C67 1.296(18) .
O16 C67 1.162(17) .
O17 C71 1.179(17) .
O18 C71 1.300(17) .
O19 C75 1.234(18) .
O20 C75 1.302(19) .
O21 C79 1.272(10) .
N1 C4 1.31(2) .
N1 C3 1.350(19) .
N1 C2 1.430(19) .
N2 C3 1.261(18) .
N2 C5 1.370(19) .
N2 C6 1.429(19) .
N3 C6 1.260(18) .
N3 C10 1.291(19) .
N4 C11 1.273(18) .
N4 C12 1.367(18) .
N4 C10 1.460(19) .
N5 C11 1.298(18) .
N5 C13 1.38(2) .
N5 C14 1.50(2) .
N6 C21 1.285(19) .
N6 C22 1.42(2) .
N6 C20 1.55(2) .
N7 C21 1.325(18) .
N7 C23 1.39(2) .
N7 C24 1.41(2) .
N8 C28 1.27(2) .
N8 C24 1.31(2) .
N9 C30 1.32(2) .
N9 C29 1.35(2) .
N9 C28 1.44(2) .
N10 C29 1.33(2) .
N10 C31 1.38(2) .
N10 C32 1.49(2) .
N11 C79 1.359(10) .
N11 C81 1.454(10) .
N11 C80 1.461(10) .
C1 C19 1.348(19) 3_666
C1 C17 1.36(2) 3_666
C1 C2 1.54(2) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 H3A 0.9300 .
C4 C5 1.34(2) .
C4 H4A 0.9300 .
C5 H5A 0.9300 .
C6 C7 1.36(2) .
C7 C8 1.38(2) .
C7 H7A 0.9300 .
C8 C9 1.38(2) .
C8 H8A 0.9300 .
C9 C10 1.34(2) .
C9 H9A 0.9300 .
C11 H11A 0.9300 .
C12 C13 1.27(2) .
C12 H12A 0.9300 .
C13 H13A 0.9300 .
C14 C15 1.49(2) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C18 1.33(2) .
C15 C16 1.34(2) .
C16 C17 1.36(2) .
C16 H16A 0.9300 .
C17 C1 1.36(2) 3_666
C17 H17A 0.9300 .
C18 C19 1.44(2) .
C18 H18A 0.9300 .
C19 C1 1.348(19) 3_666
C19 H19A 0.9300 .
C20 C36 1.42(2) 3_756
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 H21A 0.9300 .
C22 C23 1.20(3) .
C22 H22A 0.9300 .
C23 H23A 0.9300 .
C24 C25 1.36(2) .
C25 C26 1.45(3) .
C25 H25A 0.9300 .
C26 C27 1.35(3) .
C26 H26A 0.9300 .
C27 C28 1.42(2) .
C27 H27A 0.9300 .
C29 H29A 0.9300 .
C30 C31 1.33(3) .
C30 H30A 0.9300 .
C31 H31A 0.9300 .
C32 C33 1.49(3) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C34 1.26(3) .
C33 C38 1.33(3) .
C34 C35 1.52(3) .
C34 H34A 0.9300 .
C35 C36 1.34(2) .
C35 H35A 0.9300 .
C36 C37 1.34(2) .
C36 C20 1.42(2) 3_756
C37 C38 1.35(3) .
C37 H37A 0.9300 .
C38 H38A 0.9300 .
C39 C40 1.584(19) .
C40 C41 1.309(19) .
C40 C42 1.37(2) .
C41 C69 1.358(19) 4_565
C41 H41A 0.9300 .
C42 C70 1.386(19) 4_565
C42 H42A 0.9300 .
C43 C44 1.53(2) .
C44 C45 1.361(19) .
C44 C46 1.39(2) .
C45 C46 1.372(19) 3_666
C45 H45A 0.9300 .
C46 C45 1.372(19) 3_666
C46 H46A 0.9300 .
C47 C48 1.48(2) .
C48 C49 1.40(2) .
C48 C50 1.409(19) 3_676
C49 C50 1.39(2) .
C49 H49A 0.9300 .
C50 C48 1.409(19) 3_676
C50 H50A 0.9300 .
C51 C52 1.49(2) .
C52 C57 1.368(18) .
C52 C53 1.40(2) .
C53 C54 1.33(2) .
C53 H53A 0.9300 .
C54 C55 1.40(2) .
C54 H54A 0.9300 .
C55 C56 1.43(2) .
C55 C58 1.43(2) .
C56 C57 1.38(2) .
C56 H56A 0.9300 .
C57 H57A 0.9300 .
C59 C60 1.54(2) .
C60 C61 1.34(2) .
C60 C65 1.37(2) .
C61 C62 1.39(2) .
C61 H61A 0.9300 .
C62 C63 1.39(2) .
C62 H62A 0.9300 .
C63 C64 1.384(18) .
C63 C66 1.54(2) .
C64 C65 1.372(19) .
C64 H64A 0.9300 .
C65 H65A 0.9300 .
C67 C68 1.52(2) .
C68 C70 1.29(2) .
C68 C69 1.41(2) .
C69 C41 1.358(19) 4_666
C69 H69A 0.9300 .
C70 C42 1.386(19) 4_666
C70 H70A 0.9300 .
C71 C72 1.528(18) .
C72 C73 1.373(19) .
C72 C74 1.41(2) .
C73 C74 1.36(2) 3_756
C73 H73A 0.9300 .
C74 C73 1.36(2) 3_756
C74 H74A 0.9300 .
C75 C76 1.50(2) .
C76 C77 1.34(2) .
C76 C78 1.37(2) .
C77 C78 1.39(2) 3_766
C77 H77A 0.9300 .
C78 C77 1.39(2) 3_766
C78 H78A 0.9300 .
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
O11 Tb1 O1 C39 4.1(11) . .
O7 Tb1 O1 C39 129.6(10) . .
O5 Tb1 O1 C39 -171.1(10) . .
O1W Tb1 O1 C39 94.6(10) . .
O2 Tb1 O1 C39 1.5(9) . .
O3 Tb1 O1 C39 -82.2(10) . .
O4 Tb1 O1 C39 -99.6(10) . .
C43 Tb1 O1 C39 -92.6(10) . .
O11 Tb1 O2 C39 -179.4(10) . .
O7 Tb1 O2 C39 -135.8(10) . .
O5 Tb1 O2 C39 8.3(12) . .
O1W Tb1 O2 C39 -74.6(10) . .
O3 Tb1 O2 C39 76.1(10) . .
O4 Tb1 O2 C39 108.2(10) . .
O1 Tb1 O2 C39 -1.6(9) . .
C43 Tb1 O2 C39 90.4(10) . .
O11 Tb1 O3 C43 78.7(8) . .
O7 Tb1 O3 C43 -3.2(11) . .
O5 Tb1 O3 C43 -75.5(8) . .
O1W Tb1 O3 C43 -162.1(8) . .
O2 Tb1 O3 C43 148.1(9) . .
O4 Tb1 O3 C43 4.2(8) . .
O1 Tb1 O3 C43 -157.3(9) . .
C39 Tb1 O3 C43 174.6(9) . .
O11 Tb1 O4 C43 -110.4(9) . .
O7 Tb1 O4 C43 170.5(9) . .
O5 Tb1 O4 C43 88.3(9) . .
O1W Tb1 O4 C43 145.5(13) . .
O2 Tb1 O4 C43 -43.5(9) . .
O3 Tb1 O4 C43 -4.4(8) . .
O1 Tb1 O4 C43 15.9(9) . .
C39 Tb1 O4 C43 -15.0(10) . .
O11 Tb1 O5 C47 61(6) . .
O7 Tb1 O5 C47 23(6) . .
O1W Tb1 O5 C47 -57(6) . .
O2 Tb1 O5 C47 -136(6) . .
O3 Tb1 O5 C47 162(6) . .
O4 Tb1 O5 C47 108(6) . .
O1 Tb1 O5 C47 -128(6) . .
C43 Tb1 O5 C47 135(6) . .
C39 Tb1 O5 C47 -132(6) . .
O11 Tb1 O7 C51 62(5) . .
O5 Tb1 O7 C51 -134(5) . .
O1W Tb1 O7 C51 -41(5) . .
O2 Tb1 O7 C51 20(5) . .
O3 Tb1 O7 C51 152(5) . .
O4 Tb1 O7 C51 146(5) . .
O1 Tb1 O7 C51 -75(5) . .
C43 Tb1 O7 C51 151(5) . .
C39 Tb1 O7 C51 -23(5) . .
O7 Tb1 O11 C59 25(12) . .
O5 Tb1 O11 C59 -14(13) . .
O1W Tb1 O11 C59 103(12) . .
O2 Tb1 O11 C59 179(100) . .
O3 Tb1 O11 C59 -111(12) . .
O4 Tb1 O11 C59 -60(12) . .
O1 Tb1 O11 C59 177(100) . .
C43 Tb1 O11 C59 -84(12) . .
C39 Tb1 O11 C59 179(100) . .
O19 Tb2 O13 C66 -96.9(19) . .
O9 Tb2 O13 C66 91.1(19) 1_545 .
O2W Tb2 O13 C66 -0.3(18) . .
O18 Tb2 O13 C66 177.3(19) . .
O15 Tb2 O13 C66 -46(2) . .
O17 Tb2 O13 C66 -169.7(17) . .
O16 Tb2 O13 C66 60(2) . .
C71 Tb2 O13 C66 -173.6(18) . .
C67 Tb2 O13 C66 7(3) . .
O19 Tb2 O15 C67 -162.7(10) . .
O9 Tb2 O15 C67 20.6(11) 1_545 .
O13 Tb2 O15 C67 146.7(9) . .
O2W Tb2 O15 C67 101.8(9) . .
O18 Tb2 O15 C67 -89.1(10) . .
O17 Tb2 O15 C67 -75.4(9) . .
O16 Tb2 O15 C67 5.8(9) . .
C71 Tb2 O15 C67 -84.4(10) . .
O19 Tb2 O16 C67 8.1(12) . .
O9 Tb2 O16 C67 -173.9(11) 1_545 .
O13 Tb2 O16 C67 -141.9(10) . .
O2W Tb2 O16 C67 -85.0(11) . .
O18 Tb2 O16 C67 110.4(10) . .
O15 Tb2 O16 C67 -6.5(10) . .
O17 Tb2 O16 C67 75.8(10) . .
C71 Tb2 O16 C67 89.4(11) . .
O19 Tb2 O17 C71 -79.1(10) . .
O9 Tb2 O17 C71 78.5(10) 1_545 .
O13 Tb2 O17 C71 -8.8(12) . .
O2W Tb2 O17 C71 -165.1(10) . .
O18 Tb2 O17 C71 7.1(9) . .
O15 Tb2 O17 C71 -158.9(11) . .
O16 Tb2 O17 C71 147.0(10) . .
C67 Tb2 O17 C71 172.4(11) . .
O19 Tb2 O18 C71 81.2(9) . .
O9 Tb2 O18 C71 -118.9(9) 1_545 .
O13 Tb2 O18 C71 161.0(9) . .
O2W Tb2 O18 C71 166.0(9) . .
O15 Tb2 O18 C71 10.0(10) . .
O17 Tb2 O18 C71 -6.5(8) . .
O16 Tb2 O18 C71 -49.2(9) . .
C67 Tb2 O18 C71 -22.4(10) . .
O9 Tb2 O19 C75 48(6) 1_545 .
O13 Tb2 O19 C75 27(6) . .
O2W Tb2 O19 C75 -47(6) . .
O18 Tb2 O19 C75 106(6) . .
O15 Tb2 O19 C75 -126(6) . .
O17 Tb2 O19 C75 160(6) . .
O16 Tb2 O19 C75 -137(6) . .
C71 Tb2 O19 C75 134(6) . .
C67 Tb2 O19 C75 -134(6) . .
C4 N1 C2 C1 76(2) . .
C3 N1 C2 C1 -105.9(18) . .
C19 C1 C2 N1 2(2) 3_666 .
C17 C1 C2 N1 -176.0(13) 3_666 .
C5 N2 C3 N1 6(2) . .
C6 N2 C3 N1 -170.3(15) . .
C4 N1 C3 N2 -5(2) . .
C2 N1 C3 N2 176.9(15) . .
C3 N1 C4 C5 2(2) . .
C2 N1 C4 C5 -179.8(17) . .
N1 C4 C5 N2 1(2) . .
C3 N2 C5 C4 -4(2) . .
C6 N2 C5 C4 171.9(16) . .
C10 N3 C6 C7 -3(3) . .
C10 N3 C6 N2 -179.6(14) . .
C3 N2 C6 N3 9(2) . .
C5 N2 C6 N3 -166.1(16) . .
C3 N2 C6 C7 -168.0(17) . .
C5 N2 C6 C7 17(3) . .
N3 C6 C7 C8 4(3) . .
N2 C6 C7 C8 -178.9(16) . .
C6 C7 C8 C9 -2(3) . .
C7 C8 C9 C10 -1(3) . .
C6 N3 C10 C9 -1(3) . .
C6 N3 C10 N4 -179.9(14) . .
C8 C9 C10 N3 3(3) . .
C8 C9 C10 N4 -178.5(16) . .
C11 N4 C10 N3 -12(2) . .
C12 N4 C10 N3 170.4(16) . .
C11 N4 C10 C9 169.2(16) . .
C12 N4 C10 C9 -8(3) . .
C12 N4 C11 N5 -2.6(19) . .
C10 N4 C11 N5 179.6(14) . .
C13 N5 C11 N4 3.5(18) . .
C14 N5 C11 N4 -167.8(14) . .
C11 N4 C12 C13 1(2) . .
C10 N4 C12 C13 178.3(16) . .
N4 C12 C13 N5 2(2) . .
C11 N5 C13 C12 -3(2) . .
C14 N5 C13 C12 167.9(16) . .
C11 N5 C14 C15 73(2) . .
C13 N5 C14 C15 -96.1(19) . .
N5 C14 C15 C18 -144.9(15) . .
N5 C14 C15 C16 39(2) . .
C18 C15 C16 C17 1(2) . .
C14 C15 C16 C17 176.6(14) . .
C15 C16 C17 C1 -1(2) . 3_666
C16 C15 C18 C19 0(2) . .
C14 C15 C18 C19 -175.9(14) . .
C15 C18 C19 C1 -1(2) . 3_666
C21 N6 C20 C36 73(2) . 3_756
C22 N6 C20 C36 -96(2) . 3_756
C22 N6 C21 N7 3(2) . .
C20 N6 C21 N7 -167.5(14) . .
C23 N7 C21 N6 -2.0(19) . .
C24 N7 C21 N6 178.0(15) . .
C21 N6 C22 C23 -3(3) . .
C20 N6 C22 C23 167.6(19) . .
N6 C22 C23 N7 1(3) . .
C21 N7 C23 C22 0(3) . .
C24 N7 C23 C22 -180(2) . .
C28 N8 C24 C25 0(3) . .
C28 N8 C24 N7 -178.4(14) . .
C21 N7 C24 N8 -9(2) . .
C23 N7 C24 N8 170.6(17) . .
C21 N7 C24 C25 172.5(16) . .
C23 N7 C24 C25 -8(3) . .
N8 C24 C25 C26 2(3) . .
N7 C24 C25 C26 179.6(15) . .
C24 C25 C26 C27 0(3) . .
C25 C26 C27 C28 -2(3) . .
C24 N8 C28 C27 -3(3) . .
C24 N8 C28 N9 -179.5(15) . .
C26 C27 C28 N8 4(3) . .
C26 C27 C28 N9 -179.3(17) . .
C30 N9 C28 N8 -167(2) . .
C29 N9 C28 N8 5(3) . .
C30 N9 C28 C27 16(3) . .
C29 N9 C28 C27 -171.8(17) . .
C31 N10 C29 N9 -1(2) . .
C32 N10 C29 N9 175.2(18) . .
C30 N9 C29 N10 -1(2) . .
C28 N9 C29 N10 -174.1(17) . .
C29 N9 C30 C31 2(3) . .
C28 N9 C30 C31 175(2) . .
N9 C30 C31 N10 -3(3) . .
C29 N10 C31 C30 2(3) . .
C32 N10 C31 C30 -174(2) . .
C29 N10 C32 C33 -98(2) . .
C31 N10 C32 C33 77(3) . .
N10 C32 C33 C34 -177.8(17) . .
N10 C32 C33 C38 3(3) . .
C38 C33 C34 C35 2(3) . .
C32 C33 C34 C35 -176.8(17) . .
C33 C34 C35 C36 -5(3) . .
C34 C35 C36 C37 3(3) . .
C34 C35 C36 C20 -172.9(16) . 3_756
C35 C36 C37 C38 2(3) . .
C20 C36 C37 C38 177.7(19) 3_756 .
C34 C33 C38 C37 3(3) . .
C32 C33 C38 C37 -177.9(19) . .
C36 C37 C38 C33 -6(3) . .
Tb1 O2 C39 O1 2.9(17) . .
Tb1 O2 C39 C40 -177.9(12) . .
Tb1 O1 C39 O2 -2.8(16) . .
Tb1 O1 C39 C40 178.0(12) . .
O11 Tb1 C39 O2 0.6(10) . .
O7 Tb1 C39 O2 81.4(15) . .
O5 Tb1 C39 O2 -173.6(9) . .
O1W Tb1 C39 O2 100.0(10) . .
O3 Tb1 C39 O2 -95.1(10) . .
O4 Tb1 C39 O2 -86.0(10) . .
O1 Tb1 C39 O2 177.2(16) . .
C43 Tb1 C39 O2 -92.5(10) . .
O11 Tb1 C39 O1 -176.6(9) . .
O7 Tb1 C39 O1 -95.8(13) . .
O5 Tb1 C39 O1 9.2(10) . .
O1W Tb1 C39 O1 -77.3(10) . .
O2 Tb1 C39 O1 -177.2(16) . .
O3 Tb1 C39 O1 87.7(9) . .
O4 Tb1 C39 O1 96.8(10) . .
C43 Tb1 C39 O1 90.2(10) . .
O11 Tb1 C39 C40 84(34) . .
O7 Tb1 C39 C40 165(34) . .
O5 Tb1 C39 C40 -90(34) . .
O1W Tb1 C39 C40 -176(100) . .
O2 Tb1 C39 C40 84(34) . .
O3 Tb1 C39 C40 -11(34) . .
O4 Tb1 C39 C40 -2(35) . .
O1 Tb1 C39 C40 -99(34) . .
C43 Tb1 C39 C40 -9(34) . .
O2 C39 C40 C41 -175.9(16) . .
O1 C39 C40 C41 3(2) . .
Tb1 C39 C40 C41 102(34) . .
O2 C39 C40 C42 5(2) . .
O1 C39 C40 C42 -175.6(14) . .
Tb1 C39 C40 C42 -77(34) . .
C42 C40 C41 C69 1(2) . 4_565
C39 C40 C41 C69 -178.3(14) . 4_565
C41 C40 C42 C70 0(2) . 4_565
C39 C40 C42 C70 179.3(13) . 4_565
Tb1 O4 C43 O3 7.9(14) . .
Tb1 O4 C43 C44 -167.7(11) . .
Tb1 O3 C43 O4 -8.1(15) . .
Tb1 O3 C43 C44 167.7(10) . .
O11 Tb1 C43 O4 68.5(8) . .
O7 Tb1 C43 O4 -10.0(9) . .
O5 Tb1 C43 O4 -86.7(8) . .
O1W Tb1 C43 O4 -139.3(15) . .
O2 Tb1 C43 O4 141.7(8) . .
O3 Tb1 C43 O4 172.3(14) . .
O1 Tb1 C43 O4 -166.3(8) . .
C39 Tb1 C43 O4 167.2(8) . .
O11 Tb1 C43 O3 -103.8(8) . .
O7 Tb1 C43 O3 177.7(8) . .
O5 Tb1 C43 O3 101.0(8) . .
O1W Tb1 C43 O3 48(2) . .
O2 Tb1 C43 O3 -30.6(8) . .
O4 Tb1 C43 O3 -172.3(14) . .
O1 Tb1 C43 O3 21.4(8) . .
C39 Tb1 C43 O3 -5.1(9) . .
O11 Tb1 C43 C44 177(5) . .
O7 Tb1 C43 C44 99(5) . .
O5 Tb1 C43 C44 22(5) . .
O1W Tb1 C43 C44 -30(6) . .
O2 Tb1 C43 C44 -109(5) . .
O3 Tb1 C43 C44 -79(5) . .
O4 Tb1 C43 C44 109(6) . .
O1 Tb1 C43 C44 -57(5) . .
C39 Tb1 C43 C44 -84(5) . .
O4 C43 C44 C45 9(2) . .
O3 C43 C44 C45 -166.6(13) . .
Tb1 C43 C44 C45 -94(5) . .
O4 C43 C44 C46 -169.0(14) . .
O3 C43 C44 C46 15(2) . .
Tb1 C43 C44 C46 88(5) . .
C46 C44 C45 C46 -3(3) . 3_666
C43 C44 C45 C46 179.0(13) . 3_666
C45 C44 C46 C45 3(3) . 3_666
C43 C44 C46 C45 -179.0(13) . 3_666
Tb1 O5 C47 O6 89(6) . .
Tb1 O5 C47 C48 -91(6) . .
O6 C47 C48 C49 179.0(14) . .
O5 C47 C48 C49 -1(2) . .
O6 C47 C48 C50 1(2) . 3_676
O5 C47 C48 C50 -179.2(13) . 3_676
C50 C48 C49 C50 0(2) 3_676 .
C47 C48 C49 C50 -177.8(13) . .
C48 C49 C50 C48 0(2) . 3_676
Tb1 O7 C51 O8 20(6) . .
Tb1 O7 C51 C52 -159(4) . .
O7 C51 C52 C57 -169.1(15) . .
O8 C51 C52 C57 12(2) . .
O7 C51 C52 C53 7(2) . .
O8 C51 C52 C53 -171.6(15) . .
C57 C52 C53 C54 2(2) . .
C51 C52 C53 C54 -174.3(14) . .
C52 C53 C54 C55 -3(2) . .
C53 C54 C55 C56 2(2) . .
C53 C54 C55 C58 -174.9(15) . .
C54 C55 C56 C57 -2(2) . .
C58 C55 C56 C57 175.3(14) . .
C53 C52 C57 C56 -2(2) . .
C51 C52 C57 C56 174.6(14) . .
C55 C56 C57 C52 2(2) . .
Tb2 O9 C58 O10 112(4) 1_565 .
Tb2 O9 C58 C55 -74(5) 1_565 .
C54 C55 C58 O9 164.6(15) . .
C56 C55 C58 O9 -12(2) . .
C54 C55 C58 O10 -20(2) . .
C56 C55 C58 O10 162.8(14) . .
Tb1 O11 C59 O12 -129(11) . .
Tb1 O11 C59 C60 48(13) . .
O12 C59 C60 C61 -38(2) . .
O11 C59 C60 C61 144.5(15) . .
O12 C59 C60 C65 146.8(15) . .
O11 C59 C60 C65 -30(2) . .
C65 C60 C61 C62 1(2) . .
C59 C60 C61 C62 -173.8(14) . .
C60 C61 C62 C63 -1(2) . .
C61 C62 C63 C64 2(2) . .
C61 C62 C63 C66 177.6(14) . .
C62 C63 C64 C65 -3(2) . .
C66 C63 C64 C65 -179.1(14) . .
C61 C60 C65 C64 -3(2) . .
C59 C60 C65 C64 172.3(13) . .
C63 C64 C65 C60 4(2) . .
Tb2 O13 C66 O14 2(3) . .
Tb2 O13 C66 C63 -177.9(11) . .
C64 C63 C66 O13 177.6(15) . .
C62 C63 C66 O13 2(2) . .
C64 C63 C66 O14 -2(2) . .
C62 C63 C66 O14 -177.6(14) . .
Tb2 O16 C67 O15 11.1(16) . .
Tb2 O16 C67 C68 -167.9(14) . .
Tb2 O15 C67 O16 -11.3(17) . .
Tb2 O15 C67 C68 167.7(11) . .
O19 Tb2 C67 O16 -173.5(10) . .
O9 Tb2 C67 O16 5.9(11) 1_545 .
O13 Tb2 C67 O16 87.3(18) . .
O2W Tb2 C67 O16 94.0(10) . .
O18 Tb2 C67 O16 -82.2(11) . .
O15 Tb2 C67 O16 168.9(16) . .
O17 Tb2 C67 O16 -95.8(11) . .
C71 Tb2 C67 O16 -92.6(10) . .
O19 Tb2 C67 O15 17.6(10) . .
O9 Tb2 C67 O15 -163.0(9) 1_545 .
O13 Tb2 C67 O15 -81.7(16) . .
O2W Tb2 C67 O15 -75.0(9) . .
O18 Tb2 C67 O15 108.9(9) . .
O17 Tb2 C67 O15 95.3(9) . .
O16 Tb2 C67 O15 -168.9(16) . .
C71 Tb2 C67 O15 98.5(9) . .
O19 Tb2 C67 C68 -50(6) . .
O9 Tb2 C67 C68 130(6) 1_545 .
O13 Tb2 C67 C68 -149(5) . .
O2W Tb2 C67 C68 -142(6) . .
O18 Tb2 C67 C68 42(6) . .
O15 Tb2 C67 C68 -67(6) . .
O17 Tb2 C67 C68 28(6) . .
O16 Tb2 C67 C68 124(6) . .
C71 Tb2 C67 C68 31(6) . .
O16 C67 C68 C70 168.2(17) . .
O15 C67 C68 C70 -11(2) . .
Tb2 C67 C68 C70 51(7) . .
O16 C67 C68 C69 -8(2) . .
O15 C67 C68 C69 172.7(14) . .
Tb2 C67 C68 C69 -126(5) . .
C70 C68 C69 C41 -2(2) . 4_666
C67 C68 C69 C41 175.0(14) . 4_666
C69 C68 C70 C42 1(2) . 4_666
C67 C68 C70 C42 -175.8(14) . 4_666
Tb2 O17 C71 O18 -12.5(16) . .
Tb2 O17 C71 C72 172.8(13) . .
Tb2 O18 C71 O17 12.9(16) . .
Tb2 O18 C71 C72 -172.0(10) . .
O19 Tb2 C71 O17 97.4(10) . .
O9 Tb2 C71 O17 -106.3(10) 1_545 .
O13 Tb2 C71 O17 173.0(9) . .
O2W Tb2 C71 O17 89(4) . .
O18 Tb2 C71 O17 -167.9(15) . .
O15 Tb2 C71 O17 20.4(10) . .
O16 Tb2 C71 O17 -31.6(10) . .
C67 Tb2 C71 O17 -7.1(10) . .
O19 Tb2 C71 O18 -94.7(8) . .
O9 Tb2 C71 O18 61.5(8) 1_545 .
O13 Tb2 C71 O18 -19.2(9) . .
O2W Tb2 C71 O18 -104(4) . .
O15 Tb2 C71 O18 -171.8(8) . .
O17 Tb2 C71 O18 167.9(15) . .
O16 Tb2 C71 O18 136.2(8) . .
C67 Tb2 C71 O18 160.8(8) . .
O19 Tb2 C71 C72 -43(7) . .
O9 Tb2 C71 C72 114(7) 1_545 .
O13 Tb2 C71 C72 33(7) . .
O2W Tb2 C71 C72 -51(9) . .
O18 Tb2 C71 C72 52(7) . .
O15 Tb2 C71 C72 -120(7) . .
O17 Tb2 C71 C72 -140(7) . .
O16 Tb2 C71 C72 -172(7) . .
C67 Tb2 C71 C72 -147(7) . .
O17 C71 C72 C73 12(2) . .
O18 C71 C72 C73 -163.3(14) . .
Tb2 C71 C72 C73 148(6) . .
O17 C71 C72 C74 -168.7(16) . .
O18 C71 C72 C74 16(2) . .
Tb2 C71 C72 C74 -32(8) . .
C74 C72 C73 C74 5(3) . 3_756
C71 C72 C73 C74 -175.5(15) . 3_756
C73 C72 C74 C73 -5(3) . 3_756
C71 C72 C74 C73 175.6(14) . 3_756
Tb2 O19 C75 O20 96(6) . .
Tb2 O19 C75 C76 -89(6) . .
O19 C75 C76 C77 3(2) . .
O20 C75 C76 C77 177.7(16) . .
O19 C75 C76 C78 -177.1(15) . .
O20 C75 C76 C78 -2(2) . .
C78 C76 C77 C78 -2(3) . 3_766
C75 C76 C77 C78 178.2(14) . 3_766
C77 C76 C78 C77 2(3) . 3_766
C75 C76 C78 C77 -178.2(14) . 3_766
C81 N11 C79 O21 -158(6) . .
C80 N11 C79 O21 0(8) . .
