#------------------------------------------------------------------------------
#$Date: 2019-11-17 14:10:45 +0200 (Sun, 17 Nov 2019) $
#$Revision: 230399 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/74/7057497.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_7057497
loop_
_publ_author_name
'Fang, Ming'
'Shao, Li-Jun'
'Shi, Tian-Xing'
'Chen, Ying-Ying'
'Yu, Hong'
'Li, Peng-Fei'
'Wang, Wen-Min'
'Zhao, Bin'
_publ_section_title
;
 Four tetra-nuclear lanthanide complexes based on 8-hydroxyquinolin
 derivatives: magnetic refrigeration and single-molecule magnet behaviour
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11847
_journal_paper_doi               10.1039/C8NJ02161A
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C134 H144 N18 O19 Tb4'
_chemical_formula_weight         2946.35
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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
_audit_update_record
;
2018-03-17 deposited with the CCDC.
2018-06-05 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 114.548(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.975(3)
_cell_length_b                   17.373(2)
_cell_length_c                   22.320(3)
_cell_measurement_reflns_used    19500
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     6692.8(16)
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b42'
_computing_data_collection
'CrystalClear-SM Expert 2.1 b42 (Rigaku, 2015)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b42'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       'ω and φ 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  0.0466
_diffrn_reflns_av_sigmaI/netI    0.0305
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            57351
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.09
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.158
_exptl_absorpt_correction_T_max  0.7521
_exptl_absorpt_correction_T_min  0.6722
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2972
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.680
_refine_diff_density_min         -1.060
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     892
_refine_ls_number_reflns         11804
_refine_ls_number_restraints     714
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0532P)²+28.7821P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1001
_refine_ls_wR_factor_ref         0.1025
_reflns_number_gt                10703
_reflns_number_total             11804
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8nj02161a2.cif
_cod_data_source_block           2
_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.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' 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.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed to 'constr'
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 

 Adding full bibliography for 7057494--7057497.cif.
;
_cod_original_cell_volume        6692.8(17)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7057497
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 0.648733(8) 0.048300(8) 0.632104(6) 0.01709(4) Uani 1 1 d . . .
Tb2 Tb 0.444931(8) 0.094599(8) 0.494639(6) 0.01736(4) Uani 1 1 d . . .
O1 O 0.68372(12) -0.05815(13) 0.58294(10) 0.0235(5) Uani 1 1 d . . .
O2 O 0.56090(12) -0.05710(12) 0.61154(10) 0.0211(5) Uani 1 1 d . . .
O3 O 0.52786(12) 0.11386(13) 0.60859(10) 0.0238(5) Uani 1 1 d . . .
O4 O 0.73208(13) 0.11104(14) 0.59484(11) 0.0273(6) Uani 1 1 d . . .
O5 O 0.70463(13) 0.14730(13) 0.70611(10) 0.0264(6) Uani 1 1 d . . .
O6 O 0.51354(13) 0.20253(13) 0.48401(11) 0.0282(6) Uani 1 1 d . . .
O7 O 0.38259(13) 0.20202(13) 0.50870(11) 0.0295(6) Uani 1 1 d . . .
O8 O 0.56861(11) 0.04393(12) 0.51948(9) 0.0184(5) Uani 1 1 d . . .
H8A H 0.5935 0.0676 0.4922 0.022 Uiso 1 1 calc R . .
N1 N 0.78590(15) -0.00702(16) 0.70158(12) 0.0240(7) Uani 1 1 d . . .
N2 N 0.99365(17) -0.1457(2) 0.67553(17) 0.0442(9) Uani 1 1 d . A .
N4 N 0.63193(14) 0.00195(16) 0.73366(12) 0.0231(6) Uani 1 1 d . . .
N5 N 0.46294(18) -0.1416(2) 0.80580(15) 0.0458(9) Uani 1 1 d . B .
N7 N 0.38708(15) 0.04922(16) 0.57321(12) 0.0247(7) Uani 1 1 d . . .
N8 N 0.4022(2) 0.0843(3) 0.79304(17) 0.0672(13) Uani 1 1 d . C .
C1 C 0.81233(18) -0.05460(19) 0.66606(15) 0.0235(8) Uani 1 1 d . . .
C2 C 0.75711(18) -0.0793(2) 0.60276(15) 0.0241(8) Uani 1 1 d . . .
C3 C 0.78367(19) -0.1253(2) 0.56627(16) 0.0314(9) Uani 1 1 d . . .
H3 H 0.7480 -0.1426 0.5242 0.038 Uiso 1 1 calc R . .
C4 C 0.8604(2) -0.1471(2) 0.58879(17) 0.0349(9) Uani 1 1 d . . .
H4 H 0.8762 -0.1780 0.5615 0.042 Uiso 1 1 calc R . .
C5 C 0.91504(19) -0.1249(2) 0.65054(17) 0.0330(9) Uani 1 1 d . . .
C6 C 0.89049(19) -0.0786(2) 0.69048(17) 0.0299(9) Uani 1 1 d . . .
C7 C 0.9401(2) -0.0539(2) 0.75430(18) 0.0380(10) Uani 1 1 d . . .
H7 H 0.9930 -0.0692 0.7729 0.046 Uiso 1 1 calc R . .
C8 C 0.9129(2) -0.0083(2) 0.78933(18) 0.0397(11) Uani 1 1 d . . .
H8B H 0.9459 0.0076 0.8327 0.048 Uiso 1 1 calc R . .
C9 C 0.8357(2) 0.0145(2) 0.76049(17) 0.0326(9) Uani 1 1 d . . .
H9 H 0.8178 0.0478 0.7849 0.039 Uiso 1 1 calc R . .
C10 C 1.02307(19) -0.1679(3) 0.6392(2) 0.0618(15) Uani 1 1 d D . .
C11 C 1.10773(13) -0.1850(2) 0.66177(16) 0.0565(17) Uani 0.50 1 d PGDU A 1
C12 C 1.1326(2) -0.2176(3) 0.61706(16) 0.0808(19) Uani 0.50 1 d PGU A 1
C13 C 1.2114(2) -0.2267(3) 0.6339(2) 0.087(2) Uani 0.50 1 d PGU A 1
N3 N 1.26522(14) -0.2032(4) 0.6955(3) 0.097(2) Uani 0.50 1 d PGU A 1
C14 C 1.24031(17) -0.1706(4) 0.7402(2) 0.099(2) Uani 0.50 1 d PGU A 1
C15 C 1.16156(19) -0.1615(3) 0.72333(18) 0.083(2) Uani 0.50 1 d PGU A 1
C11' C 1.10354(13) -0.1963(2) 0.66154(16) 0.0547(17) Uani 0.50 1 d PGDU A 2
C12' C 1.14096(19) -0.1982(3) 0.61963(16) 0.0718(18) Uani 0.50 1 d PGU A 2
C13' C 1.2162(2) -0.2263(3) 0.6421(2) 0.0809(19) Uani 0.50 1 d PGU A 2
N3' N 1.2540(2) -0.2525(3) 0.7065(3) 0.0791(18) Uani 0.50 1 d PGU A 2
C14' C 1.2166(2) -0.2506(4) 0.7485(2) 0.071(2) Uani 0.50 1 d PGU A 2
C15' C 1.1413(2) -0.2226(3) 0.72595(17) 0.0541(18) Uani 0.50 1 d PGU A 2
C16 C 0.57157(18) -0.04767(19) 0.72084(15) 0.0228(8) Uani 1 1 d . . .
C17 C 0.53336(17) -0.07674(18) 0.65498(14) 0.0211(7) Uani 1 1 d . . .
C18 C 0.47017(19) -0.1241(2) 0.64090(16) 0.0280(8) Uani 1 1 d . . .
H18 H 0.4428 -0.1426 0.5972 0.034 Uiso 1 1 calc R . .
C19 C 0.4453(2) -0.1457(2) 0.68957(17) 0.0328(9) Uani 1 1 d . . .
H19 H 0.4012 -0.1781 0.6780 0.039 Uiso 1 1 calc R . .
C20 C 0.4833(2) -0.1211(2) 0.75388(16) 0.0334(9) Uani 1 1 d . . .
C21 C 0.5473(2) -0.0710(2) 0.77013(16) 0.0306(9) Uani 1 1 d . . .
C22 C 0.5906(2) -0.0435(2) 0.83466(16) 0.0367(10) Uani 1 1 d . . .
H22 H 0.5772 -0.0587 0.8695 0.044 Uiso 1 1 calc R . .
C23 C 0.6515(2) 0.0049(3) 0.84700(16) 0.0401(10) Uani 1 1 d . . .
H23 H 0.6812 0.0233 0.8903 0.048 Uiso 1 1 calc R . .
C24 C 0.6694(2) 0.0272(2) 0.79454(16) 0.0312(9) Uani 1 1 d . . .
H24 H 0.7109 0.0623 0.8033 0.037 Uiso 1 1 calc R . .
C25 C 0.4290(2) -0.2041(3) 0.80490(17) 0.0534(12) Uani 1 1 d D . .
C26 C 0.40872(16) -0.2360(2) 0.85658(14) 0.0530(17) Uani 0.50 1 d PGDU B 1
C27 C 0.3666(2) -0.3032(2) 0.8508(2) 0.072(2) Uani 0.50 1 d PGU B 1
C28 C 0.3515(3) -0.3286(3) 0.9033(3) 0.081(2) Uani 0.50 1 d PGU B 1
N6 N 0.3785(3) -0.2868(4) 0.9617(2) 0.0783(19) Uani 0.50 1 d PGU B 1
C29 C 0.4207(3) -0.2196(3) 0.96751(15) 0.0716(17) Uani 0.50 1 d PGU B 1
C30 C 0.4358(2) -0.1942(2) 0.91494(16) 0.0631(17) Uani 0.50 1 d PGU B 1
C26' C 0.41209(17) -0.2121(2) 0.86640(14) 0.0553(18) Uani 0.50 1 d PGDU B 2
C27' C 0.3929(2) -0.2866(2) 0.87678(18) 0.0581(17) Uani 0.50 1 d PGU B 2
C28' C 0.3825(3) -0.3040(3) 0.9334(2) 0.0683(18) Uani 0.50 1 d PGU B 2
N6' N 0.3914(3) -0.2469(4) 0.97960(18) 0.0754(18) Uani 0.50 1 d PGU B 2
C29' C 0.4106(3) -0.1724(3) 0.9692(2) 0.076(2) Uani 0.50 1 d PGU B 2
C30' C 0.4210(3) -0.1550(2) 0.9126(2) 0.0697(19) Uani 0.50 1 d PGU B 2
C31 C 0.42376(19) 0.0784(2) 0.63573(15) 0.0265(8) Uani 1 1 d . . .
C32 C 0.49564(19) 0.1164(2) 0.65149(15) 0.0268(8) Uani 1 1 d . . .
C33 C 0.5295(2) 0.1528(2) 0.71221(17) 0.0367(10) Uani 1 1 d . . .
H33 H 0.5743 0.1837 0.7223 0.044 Uiso 1 1 calc R . .
C34 C 0.4983(2) 0.1447(3) 0.75899(17) 0.0455(11) Uani 1 1 d . . .
H34 H 0.5233 0.1697 0.8004 0.055 Uiso 1 1 calc R . .
C35 C 0.4329(2) 0.1018(3) 0.74698(18) 0.0468(12) Uani 1 1 d . . .
C36 C 0.3925(2) 0.0697(3) 0.68312(16) 0.0372(10) Uani 1 1 d . . .
C37 C 0.3225(2) 0.0282(3) 0.66400(18) 0.0466(11) Uani 1 1 d . . .
H37 H 0.2998 0.0208 0.6944 0.056 Uiso 1 1 calc R . .
C38 C 0.2875(2) -0.0011(3) 0.60190(18) 0.0430(11) Uani 1 1 d . . .
H38 H 0.2406 -0.0295 0.5887 0.052 Uiso 1 1 calc R . .
C39 C 0.32153(19) 0.0111(2) 0.55782(16) 0.0323(9) Uani 1 1 d . . .
H39 H 0.2962 -0.0090 0.5145 0.039 Uiso 1 1 calc R . .
C41 C 0.3880(2) 0.0726(2) 0.89177(13) 0.0670(19) Uani 0.50 1 d PGDU C 1
C42 C 0.3528(3) 0.0007(2) 0.88017(19) 0.0720(19) Uani 0.50 1 d PGU C 1
C43 C 0.3210(3) -0.0274(3) 0.9218(3) 0.076(2) Uani 0.50 1 d PGU C 1
N9 N 0.3244(3) 0.0165(4) 0.9750(3) 0.0805(19) Uani 0.50 1 d PGU C 1
C44 C 0.3596(3) 0.0884(3) 0.9866(2) 0.0754(19) Uani 0.50 1 d PGU C 1
C45 C 0.3915(3) 0.1165(2) 0.94499(18) 0.075(2) Uani 0.50 1 d PGU C 1
C41' C 0.4123(2) 0.0689(2) 0.90399(14) 0.0690(18) Uani 0.50 1 d PGDU C 2
C42' C 0.33343(19) 0.0712(3) 0.88842(16) 0.0720(18) Uani 0.50 1 d PGU C 2
C43' C 0.3066(2) 0.0528(3) 0.9359(2) 0.0783(19) Uani 0.50 1 d PGU C 2
N9' N 0.3587(3) 0.0320(4) 0.9989(2) 0.0751(18) Uani 0.50 1 d PGU C 2
C44' C 0.4376(3) 0.0296(4) 1.01451(15) 0.075(2) Uani 0.50 1 d PGU C 2
C45' C 0.4644(2) 0.0481(3) 0.96704(17) 0.069(2) Uani 0.50 1 d PGU C 2
C46 C 0.8506(2) 0.1604(3) 0.5938(2) 0.0478(11) Uani 1 1 d . . .
C47 C 0.9307(3) 0.1309(4) 0.6454(3) 0.0725(17) Uani 1 1 d . . .
H47A H 0.9261 0.0767 0.6556 0.109 Uiso 1 1 calc R . .
H47B H 0.9467 0.1616 0.6858 0.109 Uiso 1 1 calc R . .
H47C H 0.9695 0.1358 0.6273 0.109 Uiso 1 1 calc R . .
C48 C 0.8272(3) 0.1136(4) 0.5335(3) 0.0904(17) Uani 1 1 d . . .
H48A H 0.7768 0.1315 0.5009 0.136 Uiso 1 1 calc R . .
H48B H 0.8232 0.0595 0.5441 0.136 Uiso 1 1 calc R . .
H48C H 0.8660 0.1187 0.5154 0.136 Uiso 1 1 calc R . .
C49 C 0.8617(3) 0.2440(3) 0.5804(3) 0.0676(15) Uani 1 1 d . . .
H49A H 0.8991 0.2475 0.5607 0.101 Uiso 1 1 calc R . .
H49B H 0.8811 0.2729 0.6218 0.101 Uiso 1 1 calc R . .
H49C H 0.8120 0.2657 0.5500 0.101 Uiso 1 1 calc R . .
C50 C 0.79172(19) 0.1530(2) 0.62444(18) 0.0321(9) Uani 1 1 d . . .
C51 C 0.8079(2) 0.1916(2) 0.68305(18) 0.0361(10) Uani 1 1 d . . .
H51 H 0.8536 0.2221 0.6999 0.043 Uiso 1 1 calc R . .
C52 C 0.7638(2) 0.1901(2) 0.71971(16) 0.0303(9) Uani 1 1 d . . .
C40 C 0.4338(3) 0.0953(4) 0.8508(2) 0.091(2) Uani 1 1 d D . .
C53 C 0.7876(3) 0.2434(2) 0.78058(18) 0.0425(11) Uani 1 1 d . . .
C54 C 0.8701(4) 0.2240(4) 0.8284(3) 0.134(3) Uani 1 1 d . . .
H54A H 0.9046 0.2288 0.8060 0.201 Uiso 1 1 calc R . .
H54B H 0.8720 0.1711 0.8444 0.201 Uiso 1 1 calc R . .
H54C H 0.8869 0.2596 0.8658 0.201 Uiso 1 1 calc R . .
C55 C 0.7836(3) 0.3259(2) 0.7588(2) 0.0500(11) Uani 1 1 d . . .
H55A H 0.8008 0.3597 0.7975 0.075 Uiso 1 1 calc R . .
H55B H 0.7301 0.3387 0.7291 0.075 Uiso 1 1 calc R . .
H55C H 0.8172 0.3331 0.7358 0.075 Uiso 1 1 calc R . .
C56 C 0.7292(3) 0.2378(3) 0.8122(2) 0.0865(16) Uani 1 1 d U . .
H56A H 0.7438 0.2742 0.8489 0.130 Uiso 1 1 calc R . .
H56B H 0.7295 0.1853 0.8285 0.130 Uiso 1 1 calc R . .
H56C H 0.6771 0.2502 0.7792 0.130 Uiso 1 1 calc R . .
C57 C 0.5883(3) 0.3200(2) 0.5051(2) 0.0475(12) Uani 1 1 d . . .
C58 C 0.6313(3) 0.2780(3) 0.4696(3) 0.0648(15) Uani 1 1 d . . .
H58A H 0.5956 0.2686 0.4236 0.097 Uiso 1 1 calc R . .
H58B H 0.6512 0.2287 0.4916 0.097 Uiso 1 1 calc R . .
H58C H 0.6746 0.3098 0.4710 0.097 Uiso 1 1 calc R . .
C59 C 0.6463(3) 0.3306(4) 0.5768(3) 0.0737(18) Uani 1 1 d . . .
H59A H 0.6904 0.3611 0.5783 0.111 Uiso 1 1 calc R . .
H59B H 0.6644 0.2801 0.5968 0.111 Uiso 1 1 calc R . .
H59C H 0.6210 0.3574 0.6011 0.111 Uiso 1 1 calc R . .
C60 C 0.5597(4) 0.3974(3) 0.4725(4) 0.092(2) Uani 1 1 d . . .
H60A H 0.5359 0.4259 0.4972 0.138 Uiso 1 1 calc R . .
H60B H 0.5213 0.3894 0.4272 0.138 Uiso 1 1 calc R . .
H60C H 0.6034 0.4270 0.4719 0.138 Uiso 1 1 calc R . .
C61 C 0.5198(2) 0.2710(2) 0.50506(17) 0.0350(10) Uani 1 1 d . . .
C62 C 0.4693(2) 0.3050(2) 0.5283(2) 0.0432(11) Uani 1 1 d . . .
H62 H 0.4810 0.3557 0.5455 0.052 Uiso 1 1 calc R . .
C63 C 0.4039(2) 0.2707(2) 0.52838(17) 0.0369(10) Uani 1 1 d . . .
C64 C 0.3483(2) 0.3149(2) 0.5502(2) 0.0469(12) Uani 1 1 d . . .
C65 C 0.2756(3) 0.3338(3) 0.4881(2) 0.0571(13) Uani 1 1 d . . .
H65A H 0.2515 0.2860 0.4657 0.086 Uiso 1 1 calc R . .
H65B H 0.2899 0.3655 0.4585 0.086 Uiso 1 1 calc R . .
H65C H 0.2389 0.3622 0.5003 0.086 Uiso 1 1 calc R . .
C66 C 0.3262(3) 0.2639(3) 0.5955(2) 0.0653(14) Uani 1 1 d . . .
H66A H 0.3021 0.2164 0.5722 0.098 Uiso 1 1 calc R . .
H66B H 0.2895 0.2914 0.6083 0.098 Uiso 1 1 calc R . .
H66C H 0.3728 0.2510 0.6349 0.098 Uiso 1 1 calc R . .
C67 C 0.3840(4) 0.3898(3) 0.5870(3) 0.096(2) Uani 1 1 d . . .
H67A H 0.3507 0.4109 0.6068 0.145 Uiso 1 1 calc R . .
H67B H 0.3886 0.4272 0.5560 0.145 Uiso 1 1 calc R . .
H67C H 0.4355 0.3789 0.6216 0.145 Uiso 1 1 calc R . .
O9 O 0.4448(5) 0.4940(5) 0.9379(4) 0.091(3) Uani 0.50 1 d PU D 1
O9' O 0.5000 0.5000 1.0000 0.132(5) Uani 0.50 2 d SPU E 2
O10 O 0.1171(5) 0.0853(5) 0.8026(4) 0.092(2) Uani 0.50 1 d PU F 3
O10' O 0.1532(9) 0.0056(9) 0.7453(7) 0.078(4) Uani 0.25 1 d PU G 4
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
O5 Tb1 O8 133.82(7) . .
O5 Tb1 O4 74.37(8) . .
O8 Tb1 O4 82.33(7) . .
O5 Tb1 O1 140.65(8) . .
O8 Tb1 O1 70.15(7) . .
O4 Tb1 O1 80.73(8) . .
O5 Tb1 O2 141.54(8) . .
O8 Tb1 O2 71.23(7) . .
O4 Tb1 O2 144.05(8) . .
O1 Tb1 O2 67.79(8) . .
O5 Tb1 O3 85.23(8) . .
O8 Tb1 O3 69.32(7) . .
O4 Tb1 O3 115.10(8) . .
O1 Tb1 O3 133.44(7) . .
O2 Tb1 O3 78.22(8) . .
O5 Tb1 N4 77.85(8) . .
O8 Tb1 N4 132.92(8) . .
O4 Tb1 N4 144.74(7) . .
O1 Tb1 N4 109.06(8) . .
O2 Tb1 N4 66.00(8) . .
O3 Tb1 N4 83.33(8) . .
O5 Tb1 N1 78.49(8) . .
O8 Tb1 N1 132.29(8) . .
O4 Tb1 N1 74.15(8) . .
O1 Tb1 N1 65.53(8) . .
O2 Tb1 N1 106.09(8) . .
O3 Tb1 N1 158.38(8) . .
N4 Tb1 N1 79.43(9) . .
O5 Tb1 Tb2 175.17(5) . 3_656
O8 Tb1 Tb2 41.37(5) . 3_656
O4 Tb1 Tb2 103.07(6) . 3_656
O1 Tb1 Tb2 41.31(5) . 3_656
O2 Tb1 Tb2 41.28(5) . 3_656
O3 Tb1 Tb2 92.29(5) . 3_656
N4 Tb1 Tb2 106.01(6) . 3_656
N1 Tb1 Tb2 104.90(6) . 3_656
O5 Tb1 Tb2 114.81(5) . .
O8 Tb1 Tb2 33.86(5) . .
O4 Tb1 Tb2 102.73(5) . .
O1 Tb1 Tb2 99.97(5) . .
O2 Tb1 Tb2 67.77(5) . .
O3 Tb1 Tb2 35.77(5) . .
N4 Tb1 Tb2 108.42(6) . .
N1 Tb1 Tb2 165.39(6) . .
Tb2 Tb1 Tb2 61.456(7) 3_656 .
O7 Tb2 O8 142.43(8) . .
O7 Tb2 O6 72.80(9) . .
O8 Tb2 O6 77.39(8) . .
O7 Tb2 O3 83.68(8) . .
O8 Tb2 O3 69.51(7) . .
O6 Tb2 O3 81.29(8) . .
O7 Tb2 O2 122.43(8) . 3_656
O8 Tb2 O2 76.37(7) . 3_656
O6 Tb2 O2 85.27(8) . 3_656
O3 Tb2 O2 145.28(8) . 3_656
O7 Tb2 O1 83.50(8) . 3_656
O8 Tb2 O1 133.15(7) . 3_656
O6 Tb2 O1 124.99(7) . 3_656
O3 Tb2 O1 145.07(8) . 3_656
O2 Tb2 O1 66.78(8) 3_656 3_656
O7 Tb2 O8 142.16(8) . 3_656
O8 Tb2 O8 72.56(8) . 3_656
O6 Tb2 O8 144.22(8) . 3_656
O3 Tb2 O8 105.30(7) . 3_656
O2 Tb2 O8 69.26(7) 3_656 3_656
O1 Tb2 O8 68.06(7) 3_656 3_656
O7 Tb2 N7 76.36(9) . .
O8 Tb2 N7 113.29(8) . .
O6 Tb2 N7 136.96(9) . .
O3 Tb2 N7 66.00(8) . .
O2 Tb2 N7 137.23(8) 3_656 .
O1 Tb2 N7 79.43(8) 3_656 .
O8 Tb2 N7 74.34(8) 3_656 .
O7 Tb2 Tb1 123.29(5) . 3_656
O8 Tb2 Tb1 92.60(5) . 3_656
O6 Tb2 Tb1 125.45(6) . 3_656
O3 Tb2 Tb1 144.82(6) . 3_656
O2 Tb2 Tb1 40.72(5) 3_656 3_656
O1 Tb2 Tb1 40.55(6) 3_656 3_656
O8 Tb2 Tb1 39.52(4) 3_656 3_656
N7 Tb2 Tb1 96.51(6) . 3_656
O7 Tb2 Tb2 168.91(6) . 3_656
O8 Tb2 Tb2 36.98(5) . 3_656
O6 Tb2 Tb2 112.23(6) . 3_656
O3 Tb2 Tb2 87.31(5) . 3_656
O2 Tb2 Tb2 68.47(5) 3_656 3_656
O1 Tb2 Tb2 100.45(5) 3_656 3_656
O8 Tb2 Tb2 35.58(5) 3_656 3_656
N7 Tb2 Tb2 94.07(6) . 3_656
Tb1 Tb2 Tb2 62.695(9) 3_656 3_656
O7 Tb2 Tb1 117.32(5) . .
O8 Tb2 Tb1 33.69(5) . .
O6 Tb2 Tb1 80.44(5) . .
O3 Tb2 Tb1 36.13(6) . .
O2 Tb2 Tb1 110.06(5) 3_656 .
O1 Tb2 Tb1 152.50(5) 3_656 .
O8 Tb2 Tb1 85.09(4) 3_656 .
N7 Tb2 Tb1 87.97(6) . .
Tb1 Tb2 Tb1 118.544(7) 3_656 .
Tb2 Tb2 Tb1 55.849(6) 3_656 .
C2 O1 Tb1 121.11(19) . .
C2 O1 Tb2 140.7(2) . 3_656
Tb1 O1 Tb2 98.14(8) . 3_656
C17 O2 Tb1 120.89(18) . .
C17 O2 Tb2 141.11(19) . 3_656
Tb1 O2 Tb2 97.99(8) . 3_656
C32 O3 Tb2 118.18(18) . .
C32 O3 Tb1 122.47(18) . .
Tb2 O3 Tb1 108.10(9) . .
C50 O4 Tb1 131.9(2) . .
C52 O5 Tb1 134.5(2) . .
C61 O6 Tb2 133.0(3) . .
C63 O7 Tb2 134.2(2) . .
Tb1 O8 Tb2 112.44(9) . .
Tb1 O8 Tb2 99.11(7) . 3_656
Tb2 O8 Tb2 107.44(8) . 3_656
Tb1 O8 H8A 112.3 . .
Tb2 O8 H8A 112.3 . .
Tb2 O8 H8A 112.3 3_656 .
C9 N1 C1 117.7(3) . .
C9 N1 Tb1 128.1(2) . .
C1 N1 Tb1 113.13(17) . .
C10 N2 C5 121.3(3) . .
C24 N4 C16 118.2(3) . .
C24 N4 Tb1 126.7(2) . .
C16 N4 Tb1 114.66(19) . .
C25 N5 C20 121.2(4) . .
C39 N7 C31 118.3(3) . .
C39 N7 Tb2 127.1(2) . .
C31 N7 Tb2 113.8(2) . .
C40 N8 C35 125.5(5) . .
N1 C1 C6 122.0(3) . .
N1 C1 C2 117.1(3) . .
C6 C1 C2 120.8(3) . .
O1 C2 C3 123.7(3) . .
O1 C2 C1 118.9(3) . .
C3 C2 C1 117.4(3) . .
C2 C3 C4 122.2(3) . .
C2 C3 H3 118.9 . .
C4 C3 H3 118.9 . .
C3 C4 C5 121.6(4) . .
C3 C4 H4 119.2 . .
C5 C4 H4 119.2 . .
C4 C5 N2 123.6(4) . .
C4 C5 C6 118.5(3) . .
N2 C5 C6 118.0(3) . .
C7 C6 C1 116.9(3) . .
C7 C6 C5 123.6(3) . .
C1 C6 C5 119.5(3) . .
C8 C7 C6 120.4(3) . .
C8 C7 H7 119.8 . .
C6 C7 H7 119.8 . .
C7 C8 C9 118.7(3) . .
C7 C8 H8B 120.7 . .
C9 C8 H8B 120.7 . .
N1 C9 C8 124.3(4) . .
N1 C9 H9 117.9 . .
C8 C9 H9 117.9 . .
N2 C10 C11' 124.9(4) . .
N2 C10 C11 124.0(4) . .
C11' C10 C11 8.1 . .
C12 C11 C15 120.0 . .
C12 C11 C10 118.4(3) . .
C15 C11 C10 121.2(3) . .
C13 C12 C11 120.0 . .
C12 C13 N3 120.0 . .
C13 N3 C14 120.0 . .
C15 C14 N3 120.0 . .
C14 C15 C11 120.0 . .
C12' C11' C15' 120.0 . .
C12' C11' C10 121.6(3) . .
C15' C11' C10 118.4(3) . .
C11' C12' C13' 120.0 . .
N3' C13' C12' 120.0 . .
C13' N3' C14' 120.0 . .
C15' C14' N3' 120.0 . .
C14' C15' C11' 120.0 . .
N4 C16 C21 122.2(3) . .
N4 C16 C17 117.4(3) . .
C21 C16 C17 120.4(3) . .
O2 C17 C18 123.9(3) . .
O2 C17 C16 118.4(3) . .
C18 C17 C16 117.7(3) . .
C17 C18 C19 121.5(3) . .
C17 C18 H18 119.2 . .
C19 C18 H18 119.2 . .
C20 C19 C18 121.6(3) . .
C20 C19 H19 119.2 . .
C18 C19 H19 119.2 . .
C19 C20 N5 124.9(3) . .
C19 C20 C21 118.7(3) . .
N5 C20 C21 116.4(3) . .
C22 C21 C20 122.9(3) . .
C22 C21 C16 117.2(3) . .
C20 C21 C16 119.9(3) . .
C23 C22 C21 120.0(4) . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C24 118.8(3) . .
C22 C23 H23 120.6 . .
C24 C23 H23 120.6 . .
N4 C24 C23 123.6(3) . .
N4 C24 H24 118.2 . .
C23 C24 H24 118.2 . .
N5 C25 C26 127.8(4) . .
N5 C25 C26' 111.0(4) . .
C26 C25 C26' 17.45(5) . .
C27 C26 C30 120.0 . .
C27 C26 C25 124.9(3) . .
C30 C26 C25 115.1(3) . .
C26 C27 C28 120.0 . .
C27 C28 N6 120.0 . .
C28 N6 C29 120.0 . .
C30 C29 N6 120.0 . .
C29 C30 C26 120.0 . .
C27' C26' C30' 120.0 . .
C27' C26' C25 113.5(3) . .
C30' C26' C25 126.2(3) . .
C28' C27' C26' 120.0 . .
C27' C28' N6' 120.0 . .
C29' N6' C28' 120.0 . .
N6' C29' C30' 120.0 . .
C29' C30' C26' 120.0 . .
N7 C31 C36 121.7(3) . .
N7 C31 C32 116.9(3) . .
C36 C31 C32 121.4(3) . .
O3 C32 C33 123.5(3) . .
O3 C32 C31 119.1(3) . .
C33 C32 C31 117.4(3) . .
C32 C33 C34 120.9(4) . .
C32 C33 H33 119.6 . .
C34 C33 H33 119.6 . .
C35 C34 C33 122.3(3) . .
C35 C34 H34 118.9 . .
C33 C34 H34 118.9 . .
C34 C35 N8 126.0(4) . .
C34 C35 C36 118.3(4) . .
N8 C35 C36 115.6(4) . .
C37 C36 C31 117.5(3) . .
C37 C36 C35 123.4(4) . .
C31 C36 C35 119.1(4) . .
C38 C37 C36 119.9(4) . .
C38 C37 H37 120.1 . .
C36 C37 H37 120.1 . .
C37 C38 C39 119.1(4) . .
C37 C38 H38 120.5 . .
C39 C38 H38 120.5 . .
N7 C39 C38 123.6(3) . .
N7 C39 H39 118.2 . .
C38 C39 H39 118.2 . .
C42 C41 C45 120.0 . .
C42 C41 C40 117.6(3) . .
C45 C41 C40 121.7(3) . .
C43 C42 C41 120.0 . .
C42 C43 N9 120.0 . .
C44 N9 C43 120.0 . .
N9 C44 C45 120.0 . .
C44 C45 C41 120.0 . .
C42' C41' C45' 120.0 . .
C42' C41' C40 114.6(3) . .
C45' C41' C40 125.2(3) . .
C43' C42' C41' 120.0 . .
C42' C43' N9' 120.0 . .
C44' N9' C43' 120.0 . .
C45' C44' N9' 120.0 . .
C44' C45' C41' 120.0 . .
C48 C46 C49 111.2(4) . .
C48 C46 C50 111.1(3) . .
C49 C46 C50 110.7(4) . .
C48 C46 C47 108.9(4) . .
C49 C46 C47 106.7(4) . .
C50 C46 C47 107.9(4) . .
C46 C47 H47A 109.5 . .
C46 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C46 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C46 C48 H48A 109.5 . .
C46 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C46 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C46 C49 H49A 109.5 . .
C46 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C46 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
O4 C50 C51 124.5(4) . .
O4 C50 C46 118.0(3) . .
C51 C50 C46 117.5(3) . .
C50 C51 C52 126.4(3) . .
C50 C51 H51 116.8 . .
C52 C51 H51 116.8 . .
O5 C52 C51 123.8(3) . .
O5 C52 C53 117.7(4) . .
C51 C52 C53 118.5(3) . .
N8 C40 C41' 129.6(5) . .
N8 C40 C41 116.4(5) . .
C41' C40 C41 16.19(6) . .
C55 C53 C54 109.6(4) . .
C55 C53 C56 104.9(4) . .
C54 C53 C56 112.9(5) . .
C55 C53 C52 109.2(3) . .
C54 C53 C52 108.9(4) . .
C56 C53 C52 111.1(3) . .
C53 C54 H54A 109.5 . .
C53 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C53 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C53 C55 H55A 109.5 . .
C53 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C53 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C53 C56 H56A 109.5 . .
C53 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C53 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C60 C57 C59 110.7(4) . .
C60 C57 C58 109.6(5) . .
C59 C57 C58 106.9(4) . .
C60 C57 C61 110.6(4) . .
C59 C57 C61 107.7(4) . .
C58 C57 C61 111.3(3) . .
C57 C58 H58A 109.5 . .
C57 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C57 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C57 C59 H59A 109.5 . .
C57 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C57 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C57 C60 H60A 109.5 . .
C57 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C57 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
O6 C61 C62 124.2(4) . .
O6 C61 C57 117.6(4) . .
C62 C61 C57 118.2(3) . .
C63 C62 C61 125.2(4) . .
C63 C62 H62 117.4 . .
C61 C62 H62 117.4 . .
O7 C63 C62 124.0(4) . .
O7 C63 C64 114.5(4) . .
C62 C63 C64 121.5(4) . .
C66 C64 C65 109.4(4) . .
C66 C64 C67 108.6(4) . .
C65 C64 C67 109.5(4) . .
C66 C64 C63 109.4(3) . .
C65 C64 C63 107.4(3) . .
C67 C64 C63 112.5(4) . .
C64 C65 H65A 109.5 . .
C64 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C64 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C64 C66 H66A 109.5 . .
C64 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
C64 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C64 C67 H67A 109.5 . .
C64 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
C64 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O5 2.314(2) .
Tb1 O8 2.3367(19) .
Tb1 O4 2.340(2) .
Tb1 O1 2.381(2) .
Tb1 O2 2.389(2) .
Tb1 O3 2.415(2) .
Tb1 N4 2.547(3) .
Tb1 N1 2.598(3) .
Tb1 Tb2 3.6258(4) 3_656
Tb1 Tb2 3.8932(5) .
Tb2 O7 2.300(2) .
Tb2 O8 2.347(2) .
Tb2 O6 2.350(2) .
Tb2 O3 2.3941(19) .
Tb2 O2 2.416(2) 3_656
Tb2 O1 2.418(2) 3_656
Tb2 O8 2.427(2) 3_656
Tb2 N7 2.550(3) .
Tb2 Tb1 3.6259(4) 3_656
Tb2 Tb2 3.8488(5) 3_656
O1 C2 1.326(4) .
O1 Tb2 2.418(2) 3_656
O2 C17 1.323(4) .
O2 Tb2 2.416(2) 3_656
O3 C32 1.334(4) .
O4 C50 1.276(4) .
O5 C52 1.273(4) .
O6 C61 1.267(4) .
O7 C63 1.278(4) .
O8 Tb2 2.427(2) 3_656
O8 H8A 1.0000 .
N1 C9 1.315(4) .
N1 C1 1.376(5) .
N2 C10 1.223(6) .
N2 C5 1.405(5) .
N4 C24 1.320(4) .
N4 C16 1.366(4) .
N5 C25 1.257(6) .
N5 C20 1.412(5) .
N7 C39 1.322(5) .
N7 C31 1.372(4) .
N8 C40 1.190(5) .
N8 C35 1.409(6) .
C1 C6 1.414(5) .
C1 C2 1.431(4) .
C2 C3 1.377(5) .
C3 C4 1.381(5) .
C3 H3 0.9500 .
C4 C5 1.391(5) .
C4 H4 0.9500 .
C5 C6 1.415(6) .
C6 C7 1.409(5) .
C7 C8 1.357(6) .
C7 H7 0.9500 .
C8 C9 1.390(5) .
C8 H8B 0.9500 .
C9 H9 0.9500 .
C10 C11' 1.480(4) .
C10 C11 1.500(4) .
C11 C12 1.3900 .
C11 C15 1.3900 .
C12 C13 1.3900 .
C13 N3 1.3900 .
N3 C14 1.3900 .
C14 C15 1.3900 .
C11' C12' 1.3900 .
C11' C15' 1.3900 .
C12' C13' 1.3900 .
C13' N3' 1.3900 .
N3' C14' 1.3900 .
C14' C15' 1.3900 .
C16 C21 1.417(5) .
C16 C17 1.434(4) .
C17 C18 1.379(5) .
C18 C19 1.403(5) .
C18 H18 0.9500 .
C19 C20 1.380(5) .
C19 H19 0.9500 .
C20 C21 1.413(5) .
C21 C22 1.412(5) .
C22 C23 1.362(6) .
C22 H22 0.9500 .
C23 C24 1.403(5) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.468(4) .
C25 C26' 1.540(4) .
C26 C27 1.3900 .
C26 C30 1.3900 .
C27 C28 1.3900 .
C28 N6 1.3900 .
N6 C29 1.3900 .
C29 C30 1.3900 .
C26' C27' 1.3900 .
C26' C30' 1.3900 .
C27' C28' 1.3899 .
C28' N6' 1.3900 .
N6' C29' 1.3900 .
C29' C30' 1.3900 .
C31 C36 1.420(5) .
C31 C32 1.421(5) .
C32 C33 1.388(5) .
C33 C34 1.404(6) .
C33 H33 0.9500 .
C34 C35 1.377(6) .
C34 H34 0.9500 .
C35 C36 1.422(5) .
C36 C37 1.413(6) .
C37 C38 1.362(5) .
C37 H37 0.9500 .
C38 C39 1.400(6) .
C38 H38 0.9500 .
C39 H39 0.9500 .
C41 C42 1.3900 .
C41 C45 1.3900 .
C41 C40 1.550(5) .
C42 C43 1.3900 .
C43 N9 1.3900 .
N9 C44 1.3900 .
C44 C45 1.3900 .
C41' C42' 1.3900 .
C41' C45' 1.3901 .
C41' C40 1.478(5) .
C42' C43' 1.3900 .
C43' N9' 1.3900 .
N9' C44' 1.3900 .
C44' C45' 1.3900 .
C46 C48 1.475(7) .
C46 C49 1.515(7) .
C46 C50 1.539(6) .
C46 C47 1.564(6) .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
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 1.386(5) .
C51 C52 1.393(6) .
C51 H51 0.9500 .
C52 C53 1.548(5) .
C53 C55 1.507(6) .
C53 C54 1.522(7) .
C53 C56 1.545(8) .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 C60 1.518(7) .
C57 C59 1.530(6) .
C57 C58 1.538(8) .
C57 C61 1.555(6) .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
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 1.396(6) .
C62 C63 1.377(6) .
C62 H62 0.9500 .
C63 C64 1.539(6) .
C64 C66 1.529(7) .
C64 C65 1.530(5) .
C64 C67 1.537(6) .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
C67 H67A 0.9800 .
C67 H67B 0.9800 .
C67 H67C 0.9800 .
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
O5 Tb1 Tb2 O7 -13.60(10) . .
O8 Tb1 Tb2 O7 -146.45(12) . .
O4 Tb1 Tb2 O7 -92.07(10) . .
O1 Tb1 Tb2 O7 -174.72(9) . .
O2 Tb1 Tb2 O7 124.39(10) . .
O3 Tb1 Tb2 O7 23.42(12) . .
N4 Tb1 Tb2 O7 71.20(10) . .
N1 Tb1 Tb2 O7 -168.0(3) . .
Tb2 Tb1 Tb2 O7 169.82(8) 3_656 .
O5 Tb1 Tb2 O8 132.85(11) . .
O4 Tb1 Tb2 O8 54.38(11) . .
O1 Tb1 Tb2 O8 -28.26(11) . .
O2 Tb1 Tb2 O8 -89.16(11) . .
O3 Tb1 Tb2 O8 169.88(13) . .
N4 Tb1 Tb2 O8 -142.34(11) . .
N1 Tb1 Tb2 O8 -21.6(3) . .
Tb2 Tb1 Tb2 O8 -43.73(9) 3_656 .
O5 Tb1 Tb2 O6 51.27(9) . .
O8 Tb1 Tb2 O6 -81.58(11) . .
O4 Tb1 Tb2 O6 -27.19(9) . .
O1 Tb1 Tb2 O6 -109.84(9) . .
O2 Tb1 Tb2 O6 -170.73(9) . .
O3 Tb1 Tb2 O6 88.30(12) . .
N4 Tb1 Tb2 O6 136.08(9) . .
N1 Tb1 Tb2 O6 -103.1(3) . .
Tb2 Tb1 Tb2 O6 -125.30(6) 3_656 .
O5 Tb1 Tb2 O3 -37.03(12) . .
O8 Tb1 Tb2 O3 -169.88(13) . .
O4 Tb1 Tb2 O3 -115.49(11) . .
O1 Tb1 Tb2 O3 161.86(11) . .
O2 Tb1 Tb2 O3 100.97(11) . .
N4 Tb1 Tb2 O3 47.78(12) . .
N1 Tb1 Tb2 O3 168.6(3) . .
Tb2 Tb1 Tb2 O3 146.40(10) 3_656 .
O5 Tb1 Tb2 O2 132.62(9) . 3_656
O8 Tb1 Tb2 O2 -0.23(11) . 3_656
O4 Tb1 Tb2 O2 54.15(8) . 3_656
O1 Tb1 Tb2 O2 -28.49(8) . 3_656
O2 Tb1 Tb2 O2 -89.39(8) . 3_656
O3 Tb1 Tb2 O2 169.65(11) . 3_656
N4 Tb1 Tb2 O2 -142.57(9) . 3_656
N1 Tb1 Tb2 O2 -21.8(3) . 3_656
Tb2 Tb1 Tb2 O2 -43.96(5) 3_656 3_656
O5 Tb1 Tb2 O1 -149.35(14) . 3_656
O8 Tb1 Tb2 O1 77.80(15) . 3_656
O4 Tb1 Tb2 O1 132.18(14) . 3_656
O1 Tb1 Tb2 O1 49.54(17) . 3_656
O2 Tb1 Tb2 O1 -11.36(14) . 3_656
O3 Tb1 Tb2 O1 -112.32(16) . 3_656
N4 Tb1 Tb2 O1 -64.54(14) . 3_656
N1 Tb1 Tb2 O1 56.2(3) . 3_656
Tb2 Tb1 Tb2 O1 34.07(12) 3_656 3_656
O5 Tb1 Tb2 O8 -161.57(9) . 3_656
O8 Tb1 Tb2 O8 65.58(13) . 3_656
O4 Tb1 Tb2 O8 119.96(8) . 3_656
O1 Tb1 Tb2 O8 37.32(8) . 3_656
O2 Tb1 Tb2 O8 -23.58(8) . 3_656
O3 Tb1 Tb2 O8 -124.54(11) . 3_656
N4 Tb1 Tb2 O8 -76.76(8) . 3_656
N1 Tb1 Tb2 O8 44.0(3) . 3_656
Tb2 Tb1 Tb2 O8 21.85(5) 3_656 3_656
O5 Tb1 Tb2 N7 -87.11(9) . .
O8 Tb1 Tb2 N7 140.04(11) . .
O4 Tb1 Tb2 N7 -165.58(9) . .
O1 Tb1 Tb2 N7 111.77(9) . .
O2 Tb1 Tb2 N7 50.88(9) . .
O3 Tb1 Tb2 N7 -50.09(11) . .
N4 Tb1 Tb2 N7 -2.31(9) . .
N1 Tb1 Tb2 N7 118.5(3) . .
Tb2 Tb1 Tb2 N7 96.31(6) 3_656 .
O5 Tb1 Tb2 Tb1 176.58(7) . 3_656
O8 Tb1 Tb2 Tb1 43.73(9) . 3_656
O4 Tb1 Tb2 Tb1 98.11(6) . 3_656
O1 Tb1 Tb2 Tb1 15.47(6) . 3_656
O2 Tb1 Tb2 Tb1 -45.43(6) . 3_656
O3 Tb1 Tb2 Tb1 -146.39(10) . 3_656
N4 Tb1 Tb2 Tb1 -98.61(7) . 3_656
N1 Tb1 Tb2 Tb1 22.2(3) . 3_656
Tb2 Tb1 Tb2 Tb1 0.0 3_656 3_656
O5 Tb1 Tb2 Tb2 176.58(7) . 3_656
O8 Tb1 Tb2 Tb2 43.73(9) . 3_656
O4 Tb1 Tb2 Tb2 98.11(6) . 3_656
O1 Tb1 Tb2 Tb2 15.47(6) . 3_656
O2 Tb1 Tb2 Tb2 -45.43(6) . 3_656
O3 Tb1 Tb2 Tb2 -146.40(10) . 3_656
N4 Tb1 Tb2 Tb2 -98.61(7) . 3_656
N1 Tb1 Tb2 Tb2 22.2(3) . 3_656
O5 Tb1 O1 C2 7.6(3) . .
O8 Tb1 O1 C2 143.7(2) . .
O4 Tb1 O1 C2 58.6(2) . .
O2 Tb1 O1 C2 -139.1(2) . .
O3 Tb1 O1 C2 174.5(2) . .
N4 Tb1 O1 C2 -86.4(2) . .
N1 Tb1 O1 C2 -18.1(2) . .
Tb2 Tb1 O1 C2 -179.2(3) 3_656 .
Tb2 Tb1 O1 C2 160.0(2) . .
O5 Tb1 O1 Tb2 -173.18(9) . 3_656
O8 Tb1 O1 Tb2 -37.07(7) . 3_656
O4 Tb1 O1 Tb2 -122.21(8) . 3_656
O2 Tb1 O1 Tb2 40.09(7) . 3_656
O3 Tb1 O1 Tb2 -6.27(14) . 3_656
N4 Tb1 O1 Tb2 92.81(8) . 3_656
N1 Tb1 O1 Tb2 161.07(11) . 3_656
Tb2 Tb1 O1 Tb2 -20.78(7) . 3_656
O5 Tb1 O2 C17 -6.7(3) . .
O8 Tb1 O2 C17 -145.1(2) . .
O4 Tb1 O2 C17 170.02(19) . .
O1 Tb1 O2 C17 139.3(2) . .
O3 Tb1 O2 C17 -73.2(2) . .
N4 Tb1 O2 C17 14.7(2) . .
N1 Tb1 O2 C17 85.0(2) . .
Tb2 Tb1 O2 C17 179.4(2) 3_656 .
Tb2 Tb1 O2 C17 -109.1(2) . .
O5 Tb1 O2 Tb2 173.89(9) . 3_656
O8 Tb1 O2 Tb2 35.48(7) . 3_656
O4 Tb1 O2 Tb2 -9.38(15) . 3_656
O1 Tb1 O2 Tb2 -40.12(7) . 3_656
O3 Tb1 O2 Tb2 107.41(8) . 3_656
N4 Tb1 O2 Tb2 -164.71(10) . 3_656
N1 Tb1 O2 Tb2 -94.43(8) . 3_656
Tb2 Tb1 O2 Tb2 71.53(5) . 3_656
O7 Tb2 O3 C32 56.1(2) . .
O8 Tb2 O3 C32 -150.6(2) . .
O6 Tb2 O3 C32 129.6(2) . .
O2 Tb2 O3 C32 -161.9(2) 3_656 .
O1 Tb2 O3 C32 -12.9(3) 3_656 .
O8 Tb2 O3 C32 -86.4(2) 3_656 .
N7 Tb2 O3 C32 -21.7(2) . .
Tb1 Tb2 O3 C32 -87.1(2) 3_656 .
Tb2 Tb2 O3 C32 -117.4(2) 3_656 .
Tb1 Tb2 O3 C32 -144.7(3) . .
O7 Tb2 O3 Tb1 -159.19(11) . .
O8 Tb2 O3 Tb1 -5.97(8) . .
O6 Tb2 O3 Tb1 -85.69(10) . .
O2 Tb2 O3 Tb1 -17.24(18) 3_656 .
O1 Tb2 O3 Tb1 131.76(11) 3_656 .
O8 Tb2 O3 Tb1 58.31(10) 3_656 .
N7 Tb2 O3 Tb1 122.96(12) . .
Tb1 Tb2 O3 Tb1 57.55(14) 3_656 .
Tb2 Tb2 O3 Tb1 27.29(8) 3_656 .
O5 Tb1 O3 C32 -70.4(2) . .
O8 Tb1 O3 C32 148.8(2) . .
O4 Tb1 O3 C32 -140.7(2) . .
O1 Tb1 O3 C32 117.9(2) . .
O2 Tb1 O3 C32 74.7(2) . .
N4 Tb1 O3 C32 7.9(2) . .
N1 Tb1 O3 C32 -29.4(4) . .
Tb2 Tb1 O3 C32 113.7(2) 3_656 .
Tb2 Tb1 O3 C32 142.8(3) . .
O5 Tb1 O3 Tb2 146.74(10) . .
O8 Tb1 O3 Tb2 6.01(8) . .
O4 Tb1 O3 Tb2 76.47(10) . .
O1 Tb1 O3 Tb2 -24.98(15) . .
O2 Tb1 O3 Tb2 -68.17(9) . .
N4 Tb1 O3 Tb2 -134.98(10) . .
N1 Tb1 O3 Tb2 -172.20(18) . .
Tb2 Tb1 O3 Tb2 -29.12(8) 3_656 .
O5 Tb1 O4 C50 23.2(3) . .
O8 Tb1 O4 C50 162.9(3) . .
O1 Tb1 O4 C50 -126.1(3) . .
O2 Tb1 O4 C50 -154.7(3) . .
O3 Tb1 O4 C50 100.1(3) . .
N4 Tb1 O4 C50 -16.1(4) . .
N1 Tb1 O4 C50 -59.0(3) . .
Tb2 Tb1 O4 C50 -161.1(3) 3_656 .
Tb2 Tb1 O4 C50 135.7(3) . .
O8 Tb1 O5 C52 -79.4(3) . .
O4 Tb1 O5 C52 -16.8(3) . .
O1 Tb1 O5 C52 36.0(3) . .
O2 Tb1 O5 C52 161.2(3) . .
O3 Tb1 O5 C52 -134.5(3) . .
N4 Tb1 O5 C52 141.3(3) . .
N1 Tb1 O5 C52 59.8(3) . .
Tb2 Tb1 O5 C52 -75.3(8) 3_656 .
Tb2 Tb1 O5 C52 -113.9(3) . .
O7 Tb2 O6 C61 24.2(3) . .
O8 Tb2 O6 C61 -132.7(3) . .
O3 Tb2 O6 C61 -61.8(3) . .
O2 Tb2 O6 C61 150.3(3) 3_656 .
O1 Tb2 O6 C61 93.0(3) 3_656 .
O8 Tb2 O6 C61 -166.0(2) 3_656 .
N7 Tb2 O6 C61 -21.9(3) . .
Tb1 Tb2 O6 C61 143.2(2) 3_656 .
Tb2 Tb2 O6 C61 -145.3(3) 3_656 .
Tb1 Tb2 O6 C61 -98.4(3) . .
O8 Tb2 O7 C63 12.7(4) . .
O6 Tb2 O7 C63 -26.3(3) . .
O3 Tb2 O7 C63 56.5(3) . .
O2 Tb2 O7 C63 -98.9(3) 3_656 .
O1 Tb2 O7 C63 -156.1(3) 3_656 .
O8 Tb2 O7 C63 163.4(3) 3_656 .
N7 Tb2 O7 C63 123.3(3) . .
Tb1 Tb2 O7 C63 -147.9(3) 3_656 .
Tb2 Tb2 O7 C63 92.3(5) 3_656 .
Tb1 Tb2 O7 C63 42.8(3) . .
O5 Tb1 O8 Tb2 -67.27(14) . .
O4 Tb1 O8 Tb2 -126.86(10) . .
O1 Tb1 O8 Tb2 150.27(11) . .
O2 Tb1 O8 Tb2 77.83(10) . .
O3 Tb1 O8 Tb2 -6.30(8) . .
N4 Tb1 O8 Tb2 52.32(14) . .
N1 Tb1 O8 Tb2 172.80(9) . .
Tb2 Tb1 O8 Tb2 113.25(12) 3_656 .
O5 Tb1 O8 Tb2 179.48(9) . 3_656
O4 Tb1 O8 Tb2 119.89(9) . 3_656
O1 Tb1 O8 Tb2 37.03(8) . 3_656
O2 Tb1 O8 Tb2 -35.41(8) . 3_656
O3 Tb1 O8 Tb2 -119.55(10) . 3_656
N4 Tb1 O8 Tb2 -60.93(13) . 3_656
N1 Tb1 O8 Tb2 59.55(13) . 3_656
Tb2 Tb1 O8 Tb2 -113.25(12) . 3_656
O7 Tb2 O8 Tb1 53.63(17) . .
O6 Tb2 O8 Tb1 91.65(10) . .
O3 Tb2 O8 Tb1 6.35(8) . .
O2 Tb2 O8 Tb1 179.78(10) 3_656 .
O1 Tb2 O8 Tb1 -141.79(9) 3_656 .
O8 Tb2 O8 Tb1 -108.02(12) 3_656 .
N7 Tb2 O8 Tb1 -44.34(11) . .
Tb1 Tb2 O8 Tb1 -142.57(8) 3_656 .
Tb2 Tb2 O8 Tb1 -108.03(12) 3_656 .
O7 Tb2 O8 Tb2 161.66(10) . 3_656
O6 Tb2 O8 Tb2 -160.33(9) . 3_656
O3 Tb2 O8 Tb2 114.38(10) . 3_656
O2 Tb2 O8 Tb2 -72.20(8) 3_656 3_656
O1 Tb2 O8 Tb2 -33.76(13) 3_656 3_656
O8 Tb2 O8 Tb2 0.0 3_656 3_656
N7 Tb2 O8 Tb2 63.69(10) . 3_656
Tb1 Tb2 O8 Tb2 -34.54(7) 3_656 3_656
Tb1 Tb2 O8 Tb2 108.03(12) . 3_656
O5 Tb1 N1 C9 19.3(3) . .
O8 Tb1 N1 C9 159.6(3) . .
O4 Tb1 N1 C9 96.1(3) . .
O1 Tb1 N1 C9 -177.0(3) . .
O2 Tb1 N1 C9 -121.3(3) . .
O3 Tb1 N1 C9 -22.6(5) . .
N4 Tb1 N1 C9 -60.3(3) . .
Tb2 Tb1 N1 C9 -164.2(3) 3_656 .
Tb2 Tb1 N1 C9 175.7(2) . .
O5 Tb1 N1 C1 -148.4(2) . .
O8 Tb1 N1 C1 -8.0(3) . .
O4 Tb1 N1 C1 -71.6(2) . .
O1 Tb1 N1 C1 15.3(2) . .
O2 Tb1 N1 C1 71.0(2) . .
O3 Tb1 N1 C1 169.7(2) . .
N4 Tb1 N1 C1 132.0(2) . .
Tb2 Tb1 N1 C1 28.1(2) 3_656 .
Tb2 Tb1 N1 C1 8.0(4) . .
O5 Tb1 N4 C24 -17.5(3) . .
O8 Tb1 N4 C24 -157.6(3) . .
O4 Tb1 N4 C24 21.0(4) . .
O1 Tb1 N4 C24 122.1(3) . .
O2 Tb1 N4 C24 175.9(3) . .
O3 Tb1 N4 C24 -104.1(3) . .
N1 Tb1 N4 C24 62.8(3) . .
Tb2 Tb1 N4 C24 165.4(3) 3_656 .
Tb2 Tb1 N4 C24 -129.9(3) . .
O5 Tb1 N4 C16 154.6(2) . .
O8 Tb1 N4 C16 14.5(3) . .
O4 Tb1 N4 C16 -166.89(19) . .
O1 Tb1 N4 C16 -65.7(2) . .
O2 Tb1 N4 C16 -12.0(2) . .
O3 Tb1 N4 C16 68.0(2) . .
N1 Tb1 N4 C16 -125.1(2) . .
Tb2 Tb1 N4 C16 -22.4(2) 3_656 .
Tb2 Tb1 N4 C16 42.2(2) . .
O7 Tb2 N7 C39 97.6(3) . .
O8 Tb2 N7 C39 -120.8(3) . .
O6 Tb2 N7 C39 142.7(3) . .
O3 Tb2 N7 C39 -173.3(3) . .
O2 Tb2 N7 C39 -25.8(3) 3_656 .
O1 Tb2 N7 C39 11.8(3) 3_656 .
O8 Tb2 N7 C39 -58.2(3) 3_656 .
Tb1 Tb2 N7 C39 -25.2(3) 3_656 .
Tb2 Tb2 N7 C39 -88.1(3) 3_656 .
Tb1 Tb2 N7 C39 -143.7(3) . .
O7 Tb2 N7 C31 -72.2(2) . .
O8 Tb2 N7 C31 69.4(2) . .
O6 Tb2 N7 C31 -27.1(3) . .
O3 Tb2 N7 C31 16.9(2) . .
O2 Tb2 N7 C31 164.39(19) 3_656 .
O1 Tb2 N7 C31 -158.0(2) 3_656 .
O8 Tb2 N7 C31 132.0(2) 3_656 .
Tb1 Tb2 N7 C31 165.0(2) 3_656 .
Tb2 Tb2 N7 C31 102.1(2) 3_656 .
Tb1 Tb2 N7 C31 46.5(2) . .
C9 N1 C1 C6 -1.5(5) . .
Tb1 N1 C1 C6 167.5(3) . .
C9 N1 C1 C2 178.4(3) . .
Tb1 N1 C1 C2 -12.6(4) . .
Tb1 O1 C2 C3 -161.9(3) . .
Tb2 O1 C2 C3 19.3(6) 3_656 .
Tb1 O1 C2 C1 19.3(4) . .
Tb2 O1 C2 C1 -159.4(2) 3_656 .
N1 C1 C2 O1 -2.8(5) . .
C6 C1 C2 O1 177.1(3) . .
N1 C1 C2 C3 178.3(3) . .
C6 C1 C2 C3 -1.8(5) . .
O1 C2 C3 C4 -179.1(4) . .
C1 C2 C3 C4 -0.3(6) . .
C2 C3 C4 C5 1.3(6) . .
C3 C4 C5 N2 179.9(4) . .
C3 C4 C5 C6 -0.2(6) . .
C10 N2 C5 C4 18.7(7) . .
C10 N2 C5 C6 -161.1(5) . .
N1 C1 C6 C7 2.2(5) . .
C2 C1 C6 C7 -177.7(3) . .
N1 C1 C6 C5 -177.3(3) . .
C2 C1 C6 C5 2.8(5) . .
C4 C5 C6 C7 178.7(4) . .
N2 C5 C6 C7 -1.5(6) . .
C4 C5 C6 C1 -1.8(6) . .
N2 C5 C6 C1 178.0(3) . .
C1 C6 C7 C8 -0.8(6) . .
C5 C6 C7 C8 178.7(4) . .
C6 C7 C8 C9 -1.3(6) . .
C1 N1 C9 C8 -0.7(6) . .
Tb1 N1 C9 C8 -167.9(3) . .
C7 C8 C9 N1 2.1(7) . .
C5 N2 C10 C11' -175.3(4) . .
C5 N2 C10 C11 175.0(4) . .
N2 C10 C11 C12 173.2(5) . .
C11' C10 C11 C12 74.12(19) . .
N2 C10 C11 C15 -13.7(7) . .
C11' C10 C11 C15 -112.83(18) . .
C15 C11 C12 C13 0.0 . .
C10 C11 C12 C13 173.1(4) . .
C11 C12 C13 N3 0.0 . .
C12 C13 N3 C14 0.0 . .
C13 N3 C14 C15 0.0 . .
N3 C14 C15 C11 0.0 . .
C12 C11 C15 C14 0.0 . .
C10 C11 C15 C14 -172.9(4) . .
N2 C10 C11' C12' -159.9(5) . .
C11 C10 C11' C12' -73.5(2) . .
N2 C10 C11' C15' 21.0(7) . .
C11 C10 C11' C15' 107.41(17) . .
C15' C11' C12' C13' 0.0 . .
C10 C11' C12' C13' -179.1(4) . .
C11' C12' C13' N3' 0.0 . .
C12' C13' N3' C14' 0.0 . .
C13' N3' C14' C15' 0.0 . .
N3' C14' C15' C11' 0.0 . .
C12' C11' C15' C14' 0.0 . .
C10 C11' C15' C14' 179.1(4) . .
C24 N4 C16 C21 1.5(5) . .
Tb1 N4 C16 C21 -171.3(3) . .
C24 N4 C16 C17 -177.7(3) . .
Tb1 N4 C16 C17 9.4(4) . .
Tb1 O2 C17 C18 164.5(3) . .
Tb2 O2 C17 C18 -16.4(5) 3_656 .
Tb1 O2 C17 C16 -16.0(4) . .
Tb2 O2 C17 C16 163.1(2) 3_656 .
N4 C16 C17 O2 3.3(4) . .
C21 C16 C17 O2 -175.9(3) . .
N4 C16 C17 C18 -177.2(3) . .
C21 C16 C17 C18 3.6(5) . .
O2 C17 C18 C19 177.3(3) . .
C16 C17 C18 C19 -2.2(5) . .
C17 C18 C19 C20 -0.6(6) . .
C18 C19 C20 N5 -178.5(4) . .
C18 C19 C20 C21 2.0(6) . .
C25 N5 C20 C19 27.2(6) . .
C25 N5 C20 C21 -153.3(4) . .
C19 C20 C21 C22 -179.2(4) . .
N5 C20 C21 C22 1.3(6) . .
C19 C20 C21 C16 -0.5(5) . .
N5 C20 C21 C16 179.9(3) . .
N4 C16 C21 C22 -2.8(5) . .
C17 C16 C21 C22 176.4(3) . .
N4 C16 C21 C20 178.5(3) . .
C17 C16 C21 C20 -2.3(5) . .
C20 C21 C22 C23 -179.7(4) . .
C16 C21 C22 C23 1.6(6) . .
C21 C22 C23 C24 0.7(6) . .
C16 N4 C24 C23 1.0(5) . .
Tb1 N4 C24 C23 172.9(3) . .
C22 C23 C24 N4 -2.1(6) . .
C20 N5 C25 C26 175.5(3) . .
C20 N5 C25 C26' -179.0(3) . .
N5 C25 C26 C27 175.5(4) . .
C26' C25 C26 C27 158.42(18) . .
N5 C25 C26 C30 -5.2(5) . .
C26' C25 C26 C30 -22.30(12) . .
C30 C26 C27 C28 0.0 . .
C25 C26 C27 C28 179.2(3) . .
C26 C27 C28 N6 0.0 . .
C27 C28 N6 C29 0.0 . .
C28 N6 C29 C30 0.0 . .
N6 C29 C30 C26 0.0 . .
C27 C26 C30 C29 0.0 . .
C25 C26 C30 C29 -179.3(3) . .
N5 C25 C26' C27' -164.7(3) . .
C26 C25 C26' C27' 0.85(16) . .
N5 C25 C26' C30' 9.4(4) . .
C26 C25 C26' C30' 174.99(10) . .
C30' C26' C27' C28' 0.0 . .
C25 C26' C27' C28' 174.5(2) . .
C26' C27' C28' N6' 0.0 . .
C27' C28' N6' C29' 0.0 . .
C28' N6' C29' C30' 0.0 . .
N6' C29' C30' C26' 0.0 . .
C27' C26' C30' C29' 0.0 . .
C25 C26' C30' C29' -173.8(3) . .
C39 N7 C31 C36 -1.0(5) . .
Tb2 N7 C31 C36 169.7(3) . .
C39 N7 C31 C32 177.6(3) . .
Tb2 N7 C31 C32 -11.7(4) . .
Tb2 O3 C32 C33 -156.4(3) . .
Tb1 O3 C32 C33 64.2(4) . .
Tb2 O3 C32 C31 25.3(4) . .
Tb1 O3 C32 C31 -114.1(3) . .
N7 C31 C32 O3 -7.8(5) . .
C36 C31 C32 O3 170.8(3) . .
N7 C31 C32 C33 173.7(3) . .
C36 C31 C32 C33 -7.7(5) . .
O3 C32 C33 C34 -171.1(3) . .
C31 C32 C33 C34 7.2(5) . .
C32 C33 C34 C35 -1.0(6) . .
C33 C34 C35 N8 173.3(4) . .
C33 C34 C35 C36 -4.9(7) . .
C40 N8 C35 C34 -10.6(9) . .
C40 N8 C35 C36 167.7(6) . .
N7 C31 C36 C37 1.3(6) . .
C32 C31 C36 C37 -177.2(4) . .
N7 C31 C36 C35 -179.5(4) . .
C32 C31 C36 C35 1.9(6) . .
C34 C35 C36 C37 -176.5(4) . .
N8 C35 C36 C37 5.1(6) . .
C34 C35 C36 C31 4.3(6) . .
N8 C35 C36 C31 -174.0(4) . .
C31 C36 C37 C38 -0.5(6) . .
C35 C36 C37 C38 -179.6(4) . .
C36 C37 C38 C39 -0.5(7) . .
C31 N7 C39 C38 -0.1(5) . .
Tb2 N7 C39 C38 -169.4(3) . .
C37 C38 C39 N7 0.8(6) . .
C45 C41 C42 C43 0.0 . .
C40 C41 C42 C43 170.5(3) . .
C41 C42 C43 N9 0.0 . .
C42 C43 N9 C44 0.0 . .
C43 N9 C44 C45 0.0 . .
N9 C44 C45 C41 0.0 . .
C42 C41 C45 C44 0.0 . .
C40 C41 C45 C44 -170.1(4) . .
C45' C41' C42' C43' 0.0 . .
C40 C41' C42' C43' -175.6(4) . .
C41' C42' C43' N9' 0.0 . .
C42' C43' N9' C44' 0.0 . .
C43' N9' C44' C45' 0.0 . .
N9' C44' C45' C41' 0.0 . .
C42' C41' C45' C44' 0.0 . .
C40 C41' C45' C44' 175.1(4) . .
Tb1 O4 C50 C51 -21.7(5) . .
Tb1 O4 C50 C46 157.3(3) . .
C48 C46 C50 O4 -1.5(5) . .
C49 C46 C50 O4 122.6(4) . .
C47 C46 C50 O4 -120.9(4) . .
C48 C46 C50 C51 177.5(4) . .
C49 C46 C50 C51 -58.3(5) . .
C47 C46 C50 C51 58.2(5) . .
O4 C50 C51 C52 1.4(6) . .
C46 C50 C51 C52 -177.5(4) . .
Tb1 O5 C52 C51 8.3(5) . .
Tb1 O5 C52 C53 -171.8(2) . .
C50 C51 C52 O5 5.6(6) . .
C50 C51 C52 C53 -174.3(4) . .
C35 N8 C40 C41' -169.7(5) . .
C35 N8 C40 C41 179.0(5) . .
C42' C41' C40 N8 -39.9(9) . .
C45' C41' C40 N8 144.7(6) . .
C42' C41' C40 C41 -1.05(16) . .
C45' C41' C40 C41 -176.4(3) . .
C42 C41 C40 N8 47.2(7) . .
C45 C41 C40 N8 -142.5(5) . .
C42 C41 C40 C41' -100.05(15) . .
C45 C41 C40 C41' 70.2(3) . .
O5 C52 C53 C55 -118.9(4) . .
C51 C52 C53 C55 61.0(5) . .
O5 C52 C53 C54 121.4(5) . .
C51 C52 C53 C54 -58.7(5) . .
O5 C52 C53 C56 -3.7(5) . .
C51 C52 C53 C56 176.3(4) . .
Tb2 O6 C61 C62 -16.9(5) . .
Tb2 O6 C61 C57 162.9(2) . .
C60 C57 C61 O6 129.8(5) . .
C59 C57 C61 O6 -109.1(4) . .
C58 C57 C61 O6 7.8(5) . .
C60 C57 C61 C62 -50.4(6) . .
C59 C57 C61 C62 70.7(5) . .
C58 C57 C61 C62 -172.4(3) . .
O6 C61 C62 C63 -3.7(6) . .
C57 C61 C62 C63 176.5(4) . .
Tb2 O7 C63 C62 20.8(5) . .
Tb2 O7 C63 C64 -161.5(2) . .
C61 C62 C63 O7 2.2(6) . .
C61 C62 C63 C64 -175.2(3) . .
O7 C63 C64 C66 46.9(4) . .
C62 C63 C64 C66 -135.4(4) . .
O7 C63 C64 C65 -71.7(4) . .
C62 C63 C64 C65 106.0(4) . .
O7 C63 C64 C67 167.7(4) . .
C62 C63 C64 C67 -14.6(6) . .
