#------------------------------------------------------------------------------
#$Date: 2016-08-07 12:25:20 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185540 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/89/7038938.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_7038938
loop_
_publ_author_name
'Wang, Wen-Min'
'Qiao, Wan-Zhen'
'Zhang, Hong-Xia'
'Wang, Shi-Yu'
'Nie, Yao-Yao'
'Chen, Hong-Man'
'Liu, Zhen'
'Gao, Hong-Ling'
'Cui, Jian-Zhong'
'Zhao, Bin'
_publ_section_title
;
 Structures and magnetic properties of several phenoxo-O bridged dinuclear
 lanthanide complexes: Dy derivatives displaying substituent dependent
 magnetic relaxation behavior.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8182
_journal_page_last               8191
_journal_paper_doi               10.1039/c6dt00220j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C94 H70 N4 O12 Tb2'
_chemical_formula_weight         1765.38
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-02-19 deposited with the CCDC.
2016-04-04 downloaded from the CCDC.
;
_cell_angle_alpha                104.16(3)
_cell_angle_beta                 91.36(3)
_cell_angle_gamma                104.84(3)
_cell_formula_units_Z            2
_cell_length_a                   12.010(2)
_cell_length_b                   14.425(3)
_cell_length_c                   23.624(5)
_cell_measurement_reflns_used    10428
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.9384
_cell_measurement_theta_min      1.5438
_cell_volume                     3819.7(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  ccd
_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  0.0452
_diffrn_reflns_av_unetI/netI     0.0844
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            36403
_diffrn_reflns_theta_full        28.08
_diffrn_reflns_theta_max         28.08
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    1.906
_exptl_absorpt_correction_T_max  0.8036
_exptl_absorpt_correction_T_min  0.7018
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1776
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.976
_refine_diff_density_min         -1.856
_refine_diff_density_rms         0.143
_refine_ls_extinction_coef       0.0049(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1062
_refine_ls_number_reflns         17765
_refine_ls_number_restraints     242
_refine_ls_restrained_S_all      0.957
_refine_ls_R_factor_all          0.0883
_refine_ls_R_factor_gt           0.0562
_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)+(0.0802P)²+3.9562P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1293
_refine_ls_wR_factor_ref         0.1527
_reflns_number_gt                12462
_reflns_number_total             17765
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt00220j2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7038938--7038946.cif.
;
_cod_original_cell_volume        3819.6(13)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7038938
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.87504(2) 0.049863(19) 0.032445(11) 0.02816(10) Uani 1 1 d . . .
Tb2 Tb 0.61313(2) 0.92540(2) 0.486286(13) 0.03876(11) Uani 1 1 d . . .
O1 O 0.9565(3) -0.0897(3) 0.01487(18) 0.0315(9) Uani 1 1 d . . .
O2 O 0.5470(4) 0.4203(3) 0.0954(2) 0.0441(11) Uani 1 1 d . . .
O3 O 0.7712(3) -0.0655(3) -0.05202(17) 0.0321(9) Uani 1 1 d . . .
O4 O 0.7968(3) 0.1336(3) -0.02304(17) 0.0311(8) Uani 1 1 d . . .
O5 O 0.9516(3) 0.0467(3) 0.12447(17) 0.0359(9) Uani 1 1 d . . .
O6 O 0.9433(4) 0.2108(3) 0.08946(17) 0.0377(10) Uani 1 1 d . A .
O7 O 0.5776(3) 1.0780(3) 0.53934(18) 0.0409(10) Uani 1 1 d . . .
O8 O 0.8649(7) 0.5007(4) 0.3499(3) 0.093(2) Uani 1 1 d . . .
O9 O 0.7271(3) 1.0513(3) 0.44768(18) 0.0390(10) Uani 1 1 d . . .
O10 O 0.6173(3) 0.8639(3) 0.38576(18) 0.0412(10) Uani 1 1 d . . .
O11 O 0.5669(3) 0.9046(3) 0.57854(19) 0.0448(11) Uani 1 1 d . . .
O12 O 0.5416(4) 0.7581(3) 0.4794(2) 0.0478(11) Uani 1 1 d . . .
N1 N 0.7522(4) -0.0951(3) 0.0614(2) 0.0284(10) Uani 1 1 d . . .
N2 N 0.6826(4) 0.0725(3) 0.0798(2) 0.0322(10) Uani 1 1 d . . .
N3 N 0.7788(4) 1.0317(4) 0.5571(2) 0.0418(13) Uani 1 1 d . . .
N4 N 0.8047(4) 0.8542(4) 0.4898(2) 0.0436(13) Uani 1 1 d . . .
C1 C 0.7921(5) -0.1770(4) 0.0540(2) 0.0324(12) Uani 1 1 d . . .
C2 C 0.9015(5) -0.1719(4) 0.0291(3) 0.0349(13) Uani 1 1 d . . .
C3 C 0.9412(5) -0.2568(4) 0.0216(3) 0.0411(15) Uani 1 1 d . . .
H3 H 1.0135 -0.2565 0.0060 0.049 Uiso 1 1 calc R . .
C4 C 0.8773(6) -0.3428(5) 0.0363(3) 0.0471(17) Uani 1 1 d . . .
H4 H 0.9072 -0.3991 0.0296 0.056 Uiso 1 1 calc R . .
C5 C 0.7737(6) -0.3480(5) 0.0598(3) 0.0442(15) Uani 1 1 d . . .
H5 H 0.7322 -0.4071 0.0691 0.053 Uiso 1 1 calc R . .
C6 C 0.7287(5) -0.2641(4) 0.0702(3) 0.0354(13) Uani 1 1 d . . .
C7 C 0.6232(5) -0.2615(4) 0.0939(3) 0.0387(14) Uani 1 1 d . . .
H7 H 0.5791 -0.3173 0.1056 0.046 Uiso 1 1 calc R . .
C8 C 0.5836(5) -0.1791(4) 0.1003(3) 0.0361(13) Uani 1 1 d . . .
H8 H 0.5118 -0.1776 0.1160 0.043 Uiso 1 1 calc R . .
C9 C 0.6505(5) -0.0963(4) 0.0833(3) 0.0324(12) Uani 1 1 d . . .
C10 C 0.6129(5) -0.0052(4) 0.0887(3) 0.0340(13) Uani 1 1 d . . .
H10 H 0.5370 -0.0040 0.0988 0.041 Uiso 1 1 calc R . .
C11 C 0.6396(5) 0.1579(4) 0.0839(3) 0.0305(12) Uani 1 1 d . . .
C12 C 0.5454(5) 0.1566(4) 0.0496(2) 0.0308(12) Uani 1 1 d . . .
H12 H 0.5035 0.0959 0.0232 0.037 Uiso 1 1 calc R . .
C13 C 0.5096(5) 0.2414(4) 0.0526(3) 0.0358(13) Uani 1 1 d . . .
H13 H 0.4428 0.2384 0.0291 0.043 Uiso 1 1 calc R . .
C14 C 0.5719(5) 0.3303(4) 0.0899(3) 0.0345(13) Uani 1 1 d . . .
C15 C 0.6669(5) 0.3331(5) 0.1261(3) 0.0449(16) Uani 1 1 d . . .
H15 H 0.7080 0.3938 0.1529 0.054 Uiso 1 1 calc R . .
C16 C 0.7014(5) 0.2480(5) 0.1232(3) 0.0439(16) Uani 1 1 d . . .
H16 H 0.7665 0.2501 0.1476 0.053 Uiso 1 1 calc R . .
C17 C 0.4575(6) 0.4225(5) 0.0557(3) 0.0431(15) Uani 1 1 d . . .
H17A H 0.4480 0.4899 0.0639 0.065 Uiso 1 1 calc R . .
H17B H 0.3849 0.3763 0.0604 0.065 Uiso 1 1 calc R . .
H17C H 0.4778 0.4029 0.0154 0.065 Uiso 1 1 calc R . .
C18 C 0.7200(5) -0.2420(4) -0.1369(3) 0.0366(13) Uani 1 1 d . . .
H18 H 0.7759 -0.2315 -0.1053 0.044 Uiso 1 1 calc R . .
C19 C 0.6815(6) -0.3349(4) -0.1758(3) 0.0440(15) Uani 1 1 d . . .
H19 H 0.7127 -0.3874 -0.1717 0.053 Uiso 1 1 calc R . .
C20 C 0.5966(7) -0.3510(5) -0.2210(3) 0.0542(18) Uani 1 1 d . . .
H20 H 0.5680 -0.4154 -0.2468 0.065 Uiso 1 1 calc R . .
C21 C 0.5540(6) -0.2747(5) -0.2286(3) 0.0501(17) Uani 1 1 d . . .
H21 H 0.4982 -0.2857 -0.2605 0.060 Uiso 1 1 calc R . .
C22 C 0.5930(5) -0.1810(4) -0.1894(3) 0.0370(13) Uani 1 1 d . . .
H22 H 0.5618 -0.1287 -0.1939 0.044 Uiso 1 1 calc R . .
C23 C 0.6779(5) -0.1638(4) -0.1436(2) 0.0298(11) Uani 1 1 d . . .
C24 C 0.7239(4) -0.0648(4) -0.0997(2) 0.0278(11) Uani 1 1 d . . .
C25 C 0.7126(5) 0.0228(4) -0.1138(2) 0.0308(12) Uani 1 1 d . . .
H25 H 0.6776 0.0171 -0.1514 0.037 Uiso 1 1 calc R . .
C26 C 0.7502(4) 0.1166(4) -0.0751(2) 0.0265(11) Uani 1 1 d . . .
C27 C 0.7334(4) 0.2049(4) -0.0929(3) 0.0304(12) Uani 1 1 d . . .
C28 C 0.7155(5) 0.2072(5) -0.1512(3) 0.0376(13) Uani 1 1 d . . .
H28 H 0.7174 0.1509 -0.1817 0.045 Uiso 1 1 calc R . .
C29 C 0.6950(6) 0.2895(5) -0.1656(3) 0.0463(16) Uani 1 1 d . . .
H29 H 0.6826 0.2888 -0.2055 0.056 Uiso 1 1 calc R . .
C30 C 0.6926(6) 0.3712(5) -0.1225(3) 0.0470(16) Uani 1 1 d . . .
H30 H 0.6773 0.4269 -0.1325 0.056 Uiso 1 1 calc R . .
C31 C 0.7125(6) 0.3733(5) -0.0640(3) 0.0434(15) Uani 1 1 d . . .
H31 H 0.7123 0.4308 -0.0341 0.052 Uiso 1 1 calc R . .
C32 C 0.7328(5) 0.2906(4) -0.0491(3) 0.0360(13) Uani 1 1 d . . .
H32 H 0.7463 0.2924 -0.0090 0.043 Uiso 1 1 calc R . .
C33 C 1.0280(5) -0.0339(5) 0.2068(3) 0.0432(15) Uani 1 1 d . . .
H33 H 0.9668 -0.0755 0.1785 0.052 Uiso 1 1 calc R . .
C34 C 1.0846(6) -0.0757(6) 0.2424(3) 0.0500(17) Uani 1 1 d . . .
H34 H 1.0618 -0.1453 0.2383 0.060 Uiso 1 1 calc R . .
C35 C 1.1739(5) -0.0150(6) 0.2838(3) 0.0537(19) Uani 1 1 d . . .
H35 H 1.2114 -0.0431 0.3085 0.064 Uiso 1 1 calc R . .
C36 C 1.2086(5) 0.0857(6) 0.2893(3) 0.0497(17) Uani 1 1 d . . .
H36 H 1.2706 0.1268 0.3174 0.060 Uiso 1 1 calc R . .
C37 C 1.1525(5) 0.1275(5) 0.2537(3) 0.0438(15) Uani 1 1 d . . .
H37 H 1.1768 0.1969 0.2575 0.053 Uiso 1 1 calc R . .
C38 C 1.0605(5) 0.0674(5) 0.2123(2) 0.0362(13) Uani 1 1 d . . .
C39 C 1.0044(5) 0.1089(5) 0.1707(3) 0.0345(13) Uani 1 1 d . . .
C40 C 1.0120(5) 0.2109(5) 0.1837(3) 0.0397(14) Uani 1 1 d . A .
H40 H 1.0380 0.2502 0.2226 0.048 Uiso 1 1 calc R . .
C41 C 0.9832(5) 0.2574(4) 0.1422(3) 0.0321(12) Uani 1 1 d D . .
C42 C 1.0043(14) 0.3677(6) 0.1581(7) 0.037(2) Uani 0.518(7) 1 d PDU A 1
C43 C 1.0764(11) 0.4316(9) 0.2049(6) 0.047(2) Uani 0.518(7) 1 d PU A 1
H43 H 1.1159 0.4063 0.2304 0.056 Uiso 0.518(7) 1 calc PR A 1
C44 C 1.0920(12) 0.5339(10) 0.2154(7) 0.057(3) Uani 0.518(7) 1 d PU A 1
H44 H 1.1427 0.5777 0.2478 0.069 Uiso 0.518(7) 1 calc PR A 1
C45 C 1.0366(13) 0.5709(11) 0.1804(7) 0.054(2) Uani 0.518(7) 1 d PU A 1
H45 H 1.0464 0.6405 0.1885 0.064 Uiso 0.518(7) 1 calc PR A 1
C46 C 0.9670(12) 0.5093(10) 0.1338(6) 0.048(2) Uani 0.518(7) 1 d PU A 1
H46 H 0.9262 0.5356 0.1096 0.057 Uiso 0.518(7) 1 calc PR A 1
C47 C 0.9538(12) 0.4073(9) 0.1205(6) 0.042(2) Uani 0.518(7) 1 d PU A 1
H47 H 0.9099 0.3652 0.0854 0.051 Uiso 0.518(7) 1 calc PR A 1
C42' C 0.9936(11) 0.3694(5) 0.1578(5) 0.040(2) Uani 0.482(7) 1 d PGDU A 2
C43' C 0.9667(10) 0.4157(6) 0.2125(4) 0.049(3) Uani 0.482(7) 1 d PGU A 2
H43' H 0.9474 0.3793 0.2411 0.059 Uiso 0.482(7) 1 calc PR A 2
C44' C 0.9680(9) 0.5154(6) 0.2255(4) 0.057(3) Uani 0.482(7) 1 d PGU A 2
H44' H 0.9495 0.5470 0.2630 0.069 Uiso 0.482(7) 1 calc PR A 2
C45' C 0.9961(9) 0.5686(5) 0.1838(5) 0.054(3) Uani 0.482(7) 1 d PGU A 2
H45' H 0.9970 0.6367 0.1927 0.065 Uiso 0.482(7) 1 calc PR A 2
C46' C 1.0231(9) 0.5223(6) 0.1290(4) 0.047(2) Uani 0.482(7) 1 d PGU A 2
H46' H 1.0423 0.5587 0.1005 0.056 Uiso 0.482(7) 1 calc PR A 2
C47' C 1.0218(10) 0.4227(6) 0.1160(4) 0.043(2) Uani 0.482(7) 1 d PGU A 2
H47' H 1.0402 0.3910 0.0786 0.052 Uiso 0.482(7) 1 calc PR A 2
C48 C 0.7484(14) 0.4378(10) 0.3126(7) 0.053(4) Uani 0.50 1 d P B 3
H48A H 0.6864 0.4288 0.3387 0.080 Uiso 0.50 1 calc PR B 3
H48B H 0.7566 0.3728 0.2914 0.080 Uiso 0.50 1 calc PR B 3
H48C H 0.7291 0.4726 0.2845 0.080 Uiso 0.50 1 calc PR B 3
C48' C 0.8162(15) 0.4509(11) 0.2892(7) 0.060(4) Uani 0.50 1 d P B 4
H48D H 0.8775 0.4595 0.2627 0.090 Uiso 0.50 1 calc PR B 4
H48E H 0.7558 0.4799 0.2788 0.090 Uiso 0.50 1 calc PR B 4
H48F H 0.7828 0.3799 0.2854 0.090 Uiso 0.50 1 calc PR B 4
C49 C 0.7692(5) 1.1226(6) 0.5861(3) 0.0431(16) Uani 1 1 d . . .
C50 C 0.6603(5) 1.1450(5) 0.5769(3) 0.0424(15) Uani 1 1 d . . .
C51 C 0.6508(6) 1.2359(6) 0.6078(3) 0.0540(19) Uani 1 1 d . . .
H51 H 0.5793 1.2517 0.6039 0.065 Uiso 1 1 calc R . .
C52 C 0.7435(6) 1.3070(6) 0.6453(4) 0.068(2) Uani 1 1 d . . .
H52 H 0.7340 1.3701 0.6647 0.081 Uiso 1 1 calc R . .
C53 C 0.8470(6) 1.2863(7) 0.6541(4) 0.065(2) Uani 1 1 d . . .
H53 H 0.9082 1.3341 0.6799 0.078 Uiso 1 1 calc R . .
C54 C 0.8615(5) 1.1943(6) 0.6247(3) 0.0503(18) Uani 1 1 d . . .
C55 C 0.9659(6) 1.1669(6) 0.6299(3) 0.0528(19) Uani 1 1 d . . .
H55 H 1.0300 1.2120 0.6550 0.063 Uiso 1 1 calc R . .
C56 C 0.9749(5) 1.0774(6) 0.5994(3) 0.0491(18) Uani 1 1 d . . .
H56 H 1.0452 1.0597 0.6028 0.059 Uiso 1 1 calc R . .
C57 C 0.8791(5) 1.0099(5) 0.5622(3) 0.0454(16) Uani 1 1 d . . .
C58 C 0.8871(6) 0.9148(6) 0.5275(3) 0.0525(19) Uani 1 1 d . . .
H58 H 0.9561 0.8960 0.5327 0.063 Uiso 1 1 calc R . .
C59 C 0.8204(6) 0.7635(6) 0.4562(3) 0.0535(18) Uani 1 1 d . . .
C60 C 0.9082(6) 0.7205(6) 0.4687(3) 0.0561(19) Uani 1 1 d . B .
H60 H 0.9602 0.7520 0.5030 0.067 Uiso 1 1 calc R . .
C61 C 0.9199(7) 0.6339(6) 0.4324(4) 0.060(2) Uani 1 1 d . . .
H61 H 0.9806 0.6070 0.4411 0.072 Uiso 1 1 calc R B .
C62 C 0.8437(8) 0.5862(5) 0.3833(4) 0.062(2) Uani 1 1 d . B .
C63 C 0.7547(7) 0.6253(6) 0.3711(4) 0.066(2) Uani 1 1 d . . .
H63 H 0.7017 0.5923 0.3373 0.080 Uiso 1 1 calc R B .
C64 C 0.7430(6) 0.7108(5) 0.4073(3) 0.0529(18) Uani 1 1 d . B .
H64 H 0.6800 0.7353 0.3988 0.063 Uiso 1 1 calc R . .
C65 C 0.8327(6) 1.2411(5) 0.4391(3) 0.0433(15) Uani 1 1 d . . .
H65 H 0.7747 1.2325 0.4655 0.052 Uiso 1 1 calc R . .
C66 C 0.8961(7) 1.3365(5) 0.4393(3) 0.0532(18) Uani 1 1 d . . .
H66 H 0.8805 1.3927 0.4650 0.064 Uiso 1 1 calc R . .
C67 C 0.9822(7) 1.3487(5) 0.4018(4) 0.061(2) Uani 1 1 d . . .
H67 H 1.0255 1.4136 0.4014 0.073 Uiso 1 1 calc R . .
C68 C 1.0052(7) 1.2668(5) 0.3651(3) 0.0560(19) Uani 1 1 d . . .
H68 H 1.0664 1.2755 0.3405 0.067 Uiso 1 1 calc R . .
C69 C 0.9405(5) 1.1729(5) 0.3638(3) 0.0409(14) Uani 1 1 d . . .
H69 H 0.9556 1.1174 0.3372 0.049 Uiso 1 1 calc R . .
C70 C 0.8529(5) 1.1579(4) 0.4008(3) 0.0326(12) Uani 1 1 d . . .
C71 C 0.7762(5) 1.0569(4) 0.4017(3) 0.0324(12) Uani 1 1 d . . .
C72 C 0.7643(4) 0.9767(4) 0.3519(3) 0.0311(12) Uani 1 1 d . . .
H72 H 0.8113 0.9856 0.3208 0.037 Uiso 1 1 calc R . .
C73 C 0.6849(5) 0.8841(4) 0.3469(3) 0.0344(13) Uani 1 1 d . . .
C74 C 0.6774(5) 0.7994(4) 0.2945(3) 0.0359(13) Uani 1 1 d . . .
C75 C 0.7718(6) 0.7923(5) 0.2617(3) 0.0430(15) Uani 1 1 d . . .
H75 H 0.8402 0.8458 0.2701 0.052 Uiso 1 1 calc R . .
C76 C 0.7668(7) 0.7082(6) 0.2172(3) 0.061(2) Uani 1 1 d . . .
H76 H 0.8317 0.7047 0.1954 0.074 Uiso 1 1 calc R . .
C77 C 0.6698(9) 0.6305(6) 0.2044(4) 0.068(2) Uani 1 1 d . . .
H77 H 0.6681 0.5722 0.1746 0.082 Uiso 1 1 calc R . .
C78 C 0.5724(8) 0.6365(5) 0.2350(4) 0.067(3) Uani 1 1 d . . .
H78 H 0.5034 0.5836 0.2251 0.081 Uiso 1 1 calc R . .
C79 C 0.5774(7) 0.7212(5) 0.2804(3) 0.0563(19) Uani 1 1 d . . .
H79 H 0.5119 0.7251 0.3018 0.068 Uiso 1 1 calc R . .
C80 C 0.5019(6) 0.9756(6) 0.6868(3) 0.0483(17) Uani 1 1 d . . .
H80 H 0.5623 1.0162 0.6713 0.058 Uiso 1 1 calc R . .
C81 C 0.4619(6) 1.0164(6) 0.7395(3) 0.0572(19) Uani 1 1 d . . .
H81 H 0.4959 1.0838 0.7599 0.069 Uiso 1 1 calc R . .
C82 C 0.3727(7) 0.9589(7) 0.7622(3) 0.059(2) Uani 1 1 d . . .
H82 H 0.3440 0.9872 0.7976 0.071 Uiso 1 1 calc R . .
C83 C 0.3257(6) 0.8604(7) 0.7334(3) 0.058(2) Uani 1 1 d . . .
H83 H 0.2657 0.8205 0.7494 0.070 Uiso 1 1 calc R . .
C84 C 0.3661(6) 0.8184(6) 0.6802(3) 0.0492(17) Uani 1 1 d . . .
H84 H 0.3330 0.7506 0.6604 0.059 Uiso 1 1 calc R . .
C85 C 0.4551(5) 0.8769(5) 0.6565(3) 0.0422(15) Uani 1 1 d . . .
C86 C 0.4955(5) 0.8404(5) 0.5969(3) 0.0401(14) Uani 1 1 d . . .
C87 C 0.4518(5) 0.7413(5) 0.5655(3) 0.0443(16) Uani 1 1 d . . .
H87 H 0.4030 0.6968 0.5840 0.053 Uiso 1 1 calc R . .
C88 C 0.4766(5) 0.7047(5) 0.5081(3) 0.0407(14) Uani 1 1 d . . .
C89 C 0.4264(5) 0.5973(5) 0.4760(3) 0.0437(15) Uani 1 1 d . . .
C90 C 0.3513(8) 0.5296(6) 0.4979(4) 0.076(3) Uani 1 1 d . . .
H90 H 0.3288 0.5502 0.5362 0.091 Uiso 1 1 calc R . .
C91 C 0.3069(9) 0.4325(7) 0.4664(5) 0.094(4) Uani 1 1 d . . .
H91 H 0.2547 0.3878 0.4834 0.112 Uiso 1 1 calc R . .
C92 C 0.3356(6) 0.3997(5) 0.4124(4) 0.0572(19) Uani 1 1 d . . .
H92 H 0.3025 0.3330 0.3904 0.069 Uiso 1 1 calc R . .
C93 C 0.4142(9) 0.4646(7) 0.3896(4) 0.091(3) Uani 1 1 d . . .
H93 H 0.4387 0.4421 0.3519 0.109 Uiso 1 1 calc R . .
C94 C 0.4579(8) 0.5625(7) 0.4208(4) 0.090(3) Uani 1 1 d . . .
H94 H 0.5108 0.6068 0.4038 0.108 Uiso 1 1 calc R . .
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
O6 Tb1 O4 79.45(14) . .
O6 Tb1 O1 84.00(14) . 2_755
O4 Tb1 O1 86.58(13) . 2_755
O6 Tb1 O3 150.81(14) . .
O4 Tb1 O3 71.38(13) . .
O1 Tb1 O3 93.30(14) 2_755 .
O6 Tb1 O5 71.25(14) . .
O4 Tb1 O5 148.40(13) . .
O1 Tb1 O5 101.54(14) 2_755 .
O3 Tb1 O5 137.29(13) . .
O6 Tb1 O1 131.97(13) . .
O4 Tb1 O1 137.28(13) . .
O1 Tb1 O1 72.05(15) 2_755 .
O3 Tb1 O1 73.39(13) . .
O5 Tb1 O1 73.62(14) . .
O6 Tb1 N1 127.52(15) . .
O4 Tb1 N1 121.25(14) . .
O1 Tb1 N1 138.83(13) 2_755 .
O3 Tb1 N1 71.31(14) . .
O5 Tb1 N1 71.28(14) . .
O1 Tb1 N1 67.02(13) . .
O6 Tb1 N2 80.71(15) . .
O4 Tb1 N2 74.71(14) . .
O1 Tb1 N2 157.67(14) 2_755 .
O3 Tb1 N2 92.18(14) . .
O5 Tb1 N2 88.87(14) . .
O1 Tb1 N2 130.19(14) . .
N1 Tb1 N2 63.21(14) . .
O6 Tb1 Tb1 110.80(11) . 2_755
O4 Tb1 Tb1 115.08(9) . 2_755
O1 Tb1 Tb1 36.58(9) 2_755 2_755
O3 Tb1 Tb1 81.72(9) . 2_755
O5 Tb1 Tb1 86.87(10) . 2_755
O1 Tb1 Tb1 35.47(9) . 2_755
N1 Tb1 Tb1 102.39(10) . 2_755
N2 Tb1 Tb1 165.58(10) . 2_755
O12 Tb2 O10 81.10(16) . .
O12 Tb2 O11 70.96(16) . .
O10 Tb2 O11 151.94(16) . .
O12 Tb2 O7 86.01(17) . 2_676
O10 Tb2 O7 84.12(14) . 2_676
O11 Tb2 O7 91.29(15) . 2_676
O12 Tb2 O9 148.25(15) . .
O10 Tb2 O9 70.42(15) . .
O11 Tb2 O9 137.17(15) . .
O7 Tb2 O9 104.22(15) 2_676 .
O12 Tb2 O7 137.41(15) . .
O10 Tb2 O7 129.43(15) . .
O11 Tb2 O7 73.97(16) . .
O7 Tb2 O7 71.29(16) 2_676 .
O9 Tb2 O7 73.82(14) . .
O12 Tb2 N3 121.93(18) . .
O10 Tb2 N3 126.57(15) . .
O11 Tb2 N3 73.15(15) . .
O7 Tb2 N3 138.69(17) 2_676 .
O9 Tb2 N3 68.92(16) . .
O7 Tb2 N3 67.69(16) . .
O12 Tb2 N4 74.46(16) . .
O10 Tb2 N4 81.80(16) . .
O11 Tb2 N4 92.88(15) . .
O7 Tb2 N4 157.43(16) 2_676 .
O9 Tb2 N4 87.55(15) . .
O7 Tb2 N4 131.09(15) . .
N3 Tb2 N4 63.42(18) . .
O12 Tb2 Tb2 114.60(12) . 2_676
O10 Tb2 Tb2 109.47(11) . 2_676
O11 Tb2 Tb2 80.89(11) . 2_676
O7 Tb2 Tb2 36.15(11) 2_676 2_676
O9 Tb2 Tb2 88.61(11) . 2_676
O7 Tb2 Tb2 35.14(9) . 2_676
N3 Tb2 Tb2 102.71(14) . 2_676
N4 Tb2 Tb2 166.04(12) . 2_676
C2 O1 Tb1 132.1(3) . 2_755
C2 O1 Tb1 119.8(3) . .
Tb1 O1 Tb1 107.95(15) 2_755 .
C14 O2 C17 117.1(5) . .
C24 O3 Tb1 138.0(4) . .
C26 O4 Tb1 137.9(3) . .
C39 O5 Tb1 137.4(4) . .
C41 O6 Tb1 139.4(4) . .
C50 O7 Tb2 131.7(4) . 2_676
C50 O7 Tb2 119.5(4) . .
Tb2 O7 Tb2 108.71(16) 2_676 .
C62 O8 C48' 124.9(8) . .
C62 O8 C48 106.5(8) . .
C48' O8 C48 38.3(8) . .
C71 O9 Tb2 137.4(4) . .
C73 O10 Tb2 136.5(4) . .
C86 O11 Tb2 135.0(4) . .
C88 O12 Tb2 136.7(4) . .
C9 N1 C1 119.1(5) . .
C9 N1 Tb1 123.6(4) . .
C1 N1 Tb1 117.3(4) . .
C10 N2 C11 117.3(5) . .
C10 N2 Tb1 116.8(4) . .
C11 N2 Tb1 124.4(4) . .
C57 N3 C49 119.5(5) . .
C57 N3 Tb2 123.8(5) . .
C49 N3 Tb2 116.2(4) . .
C58 N4 C59 119.7(6) . .
C58 N4 Tb2 112.3(5) . .
C59 N4 Tb2 128.0(4) . .
N1 C1 C6 121.7(5) . .
N1 C1 C2 116.6(5) . .
C6 C1 C2 121.8(5) . .
O1 C2 C3 124.8(5) . .
O1 C2 C1 119.3(5) . .
C3 C2 C1 115.9(5) . .
C2 C3 C4 122.1(6) . .
C2 C3 H3 119.0 . .
C4 C3 H3 119.0 . .
C5 C4 C3 122.2(6) . .
C5 C4 H4 118.9 . .
C3 C4 H4 118.9 . .
C4 C5 C6 119.2(6) . .
C4 C5 H5 120.4 . .
C6 C5 H5 120.4 . .
C7 C6 C5 123.9(6) . .
C7 C6 C1 117.2(5) . .
C5 C6 C1 118.8(5) . .
C8 C7 C6 120.4(6) . .
C8 C7 H7 119.8 . .
C6 C7 H7 119.8 . .
C7 C8 C9 119.3(6) . .
C7 C8 H8 120.4 . .
C9 C8 H8 120.4 . .
N1 C9 C8 122.3(5) . .
N1 C9 C10 115.5(5) . .
C8 C9 C10 122.1(5) . .
N2 C10 C9 119.9(5) . .
N2 C10 H10 120.1 . .
C9 C10 H10 120.1 . .
C12 C11 C16 119.0(5) . .
C12 C11 N2 123.2(5) . .
C16 C11 N2 117.8(5) . .
C11 C12 C13 121.7(5) . .
C11 C12 H12 119.1 . .
C13 C12 H12 119.1 . .
C14 C13 C12 119.4(5) . .
C14 C13 H13 120.3 . .
C12 C13 H13 120.3 . .
C13 C14 O2 124.8(5) . .
C13 C14 C15 119.9(5) . .
O2 C14 C15 115.4(5) . .
C16 C15 C14 120.2(5) . .
C16 C15 H15 119.9 . .
C14 C15 H15 119.9 . .
C15 C16 C11 119.7(6) . .
C15 C16 H16 120.1 . .
C11 C16 H16 120.1 . .
O2 C17 H17A 109.5 . .
O2 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
O2 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C19 C18 C23 120.9(6) . .
C19 C18 H18 119.6 . .
C23 C18 H18 119.6 . .
C18 C19 C20 119.5(6) . .
C18 C19 H19 120.2 . .
C20 C19 H19 120.2 . .
C21 C20 C19 120.7(6) . .
C21 C20 H20 119.6 . .
C19 C20 H20 119.6 . .
C20 C21 C22 119.6(6) . .
C20 C21 H21 120.2 . .
C22 C21 H21 120.2 . .
C21 C22 C23 120.3(6) . .
C21 C22 H22 119.9 . .
C23 C22 H22 119.9 . .
C18 C23 C22 118.9(5) . .
C18 C23 C24 118.0(5) . .
C22 C23 C24 123.1(5) . .
O3 C24 C25 123.8(5) . .
O3 C24 C23 116.4(5) . .
C25 C24 C23 119.8(5) . .
C26 C25 C24 123.2(5) . .
C26 C25 H25 118.4 . .
C24 C25 H25 118.4 . .
O4 C26 C25 124.2(5) . .
O4 C26 C27 115.9(5) . .
C25 C26 C27 119.8(5) . .
C28 C27 C32 117.3(5) . .
C28 C27 C26 123.7(5) . .
C32 C27 C26 119.0(5) . .
C29 C28 C27 121.7(6) . .
C29 C28 H28 119.2 . .
C27 C28 H28 119.2 . .
C30 C29 C28 120.2(6) . .
C30 C29 H29 119.9 . .
C28 C29 H29 119.9 . .
C29 C30 C31 120.2(6) . .
C29 C30 H30 119.9 . .
C31 C30 H30 119.9 . .
C30 C31 C32 119.9(6) . .
C30 C31 H31 120.0 . .
C32 C31 H31 120.0 . .
C31 C32 C27 120.7(6) . .
C31 C32 H32 119.7 . .
C27 C32 H32 119.7 . .
C38 C33 C34 120.7(6) . .
C38 C33 H33 119.7 . .
C34 C33 H33 119.7 . .
C35 C34 C33 119.7(7) . .
C35 C34 H34 120.1 . .
C33 C34 H34 120.1 . .
C36 C35 C34 120.4(6) . .
C36 C35 H35 119.8 . .
C34 C35 H35 119.8 . .
C35 C36 C37 120.0(6) . .
C35 C36 H36 120.0 . .
C37 C36 H36 120.0 . .
C36 C37 C38 120.5(7) . .
C36 C37 H37 119.8 . .
C38 C37 H37 119.8 . .
C33 C38 C37 118.8(6) . .
C33 C38 C39 119.4(5) . .
C37 C38 C39 121.6(6) . .
O5 C39 C40 123.7(6) . .
O5 C39 C38 115.7(5) . .
C40 C39 C38 120.6(5) . .
C41 C40 C39 123.1(5) . .
C41 C40 H40 118.4 . .
C39 C40 H40 118.4 . .
O6 C41 C40 123.4(5) . .
O6 C41 C42 116.8(8) . .
C40 C41 C42 119.7(8) . .
O6 C41 C42' 114.7(6) . .
C40 C41 C42' 121.8(6) . .
C42 C41 C42' 4.9(11) . .
C43 C42 C47 118.2(10) . .
C43 C42 C41 124.5(13) . .
C47 C42 C41 117.1(12) . .
C42 C43 C44 120.1(13) . .
C42 C43 H43 120.0 . .
C44 C43 H43 120.0 . .
C45 C44 C43 121.0(14) . .
C45 C44 H44 119.5 . .
C43 C44 H44 119.5 . .
C44 C45 C46 119.6(14) . .
C44 C45 H45 120.2 . .
C46 C45 H45 120.2 . .
C45 C46 C47 121.0(14) . .
C45 C46 H46 119.5 . .
C47 C46 H46 119.5 . .
C42 C47 C46 119.9(12) . .
C42 C47 H47 120.1 . .
C46 C47 H47 120.1 . .
C43' C42' C47' 120.0 . .
C43' C42' C41 119.6(7) . .
C47' C42' C41 120.3(7) . .
C42' C43' C44' 120.0 . .
C42' C43' H43' 120.0 . .
C44' C43' H43' 120.0 . .
C45' C44' C43' 120.0 . .
C45' C44' H44' 120.0 . .
C43' C44' H44' 120.0 . .
C44' C45' C46' 120.0 . .
C44' C45' H45' 120.0 . .
C46' C45' H45' 120.0 . .
C45' C46' C47' 120.0 . .
C45' C46' H46' 120.0 . .
C47' C46' H46' 120.0 . .
C46' C47' C42' 120.0 . .
C46' C47' H47' 120.0 . .
C42' C47' H47' 120.0 . .
O8 C48 H48A 109.5 . .
O8 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
O8 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
O8 C48' H48D 109.5 . .
O8 C48' H48E 109.5 . .
H48D C48' H48E 109.5 . .
O8 C48' H48F 109.5 . .
H48D C48' H48F 109.5 . .
H48E C48' H48F 109.5 . .
N3 C49 C54 122.1(6) . .
N3 C49 C50 117.6(5) . .
C54 C49 C50 120.3(7) . .
O7 C50 C51 124.3(6) . .
O7 C50 C49 118.7(6) . .
C51 C50 C49 116.9(6) . .
C50 C51 C52 122.3(7) . .
C50 C51 H51 118.9 . .
C52 C51 H51 118.9 . .
C53 C52 C51 121.0(8) . .
C53 C52 H52 119.5 . .
C51 C52 H52 119.5 . .
C52 C53 C54 119.4(7) . .
C52 C53 H53 120.3 . .
C54 C53 H53 120.3 . .
C53 C54 C55 123.5(6) . .
C53 C54 C49 120.0(7) . .
C55 C54 C49 116.4(7) . .
C56 C55 C54 120.6(6) . .
C56 C55 H55 119.7 . .
C54 C55 H55 119.7 . .
C55 C56 C57 119.7(6) . .
C55 C56 H56 120.1 . .
C57 C56 H56 120.1 . .
N3 C57 C56 121.6(7) . .
N3 C57 C58 117.3(6) . .
C56 C57 C58 121.0(6) . .
N4 C58 C57 123.0(7) . .
N4 C58 H58 118.5 . .
C57 C58 H58 118.5 . .
C64 C59 C60 116.5(8) . .
C64 C59 N4 118.3(6) . .
C60 C59 N4 125.2(7) . .
C61 C60 C59 121.3(7) . .
C61 C60 H60 119.3 . .
C59 C60 H60 119.3 . .
C60 C61 C62 120.0(8) . .
C60 C61 H61 120.0 . .
C62 C61 H61 120.0 . .
C61 C62 O8 114.7(8) . .
C61 C62 C63 119.8(8) . .
O8 C62 C63 125.5(8) . .
C64 C63 C62 120.1(7) . .
C64 C63 H63 119.9 . .
C62 C63 H63 119.9 . .
C63 C64 C59 122.1(7) . .
C63 C64 H64 118.9 . .
C59 C64 H64 118.9 . .
C66 C65 C70 121.0(7) . .
C66 C65 H65 119.5 . .
C70 C65 H65 119.5 . .
C67 C66 C65 119.3(7) . .
C67 C66 H66 120.3 . .
C65 C66 H66 120.3 . .
C68 C67 C66 120.1(7) . .
C68 C67 H67 120.0 . .
C66 C67 H67 120.0 . .
C69 C68 C67 120.6(7) . .
C69 C68 H68 119.7 . .
C67 C68 H68 119.7 . .
C68 C69 C70 120.9(6) . .
C68 C69 H69 119.6 . .
C70 C69 H69 119.6 . .
C69 C70 C65 118.1(6) . .
C69 C70 C71 124.4(5) . .
C65 C70 C71 117.5(6) . .
O9 C71 C72 124.7(5) . .
O9 C71 C70 116.7(5) . .
C72 C71 C70 118.6(5) . .
C73 C72 C71 121.8(5) . .
C73 C72 H72 119.1 . .
C71 C72 H72 119.1 . .
O10 C73 C72 124.5(6) . .
O10 C73 C74 114.9(5) . .
C72 C73 C74 120.6(5) . .
C79 C74 C75 118.5(6) . .
C79 C74 C73 119.4(6) . .
C75 C74 C73 121.9(5) . .
C76 C75 C74 120.8(7) . .
C76 C75 H75 119.6 . .
C74 C75 H75 119.6 . .
C77 C76 C75 120.7(8) . .
C77 C76 H76 119.6 . .
C75 C76 H76 119.6 . .
C76 C77 C78 119.9(7) . .
C76 C77 H77 120.0 . .
C78 C77 H77 120.0 . .
C77 C78 C79 119.5(7) . .
C77 C78 H78 120.2 . .
C79 C78 H78 120.2 . .
C74 C79 C78 120.5(8) . .
C74 C79 H79 119.8 . .
C78 C79 H79 119.8 . .
C85 C80 C81 121.3(7) . .
C85 C80 H80 119.4 . .
C81 C80 H80 119.4 . .
C82 C81 C80 120.1(8) . .
C82 C81 H81 119.9 . .
C80 C81 H81 119.9 . .
C83 C82 C81 119.8(7) . .
C83 C82 H82 120.1 . .
C81 C82 H82 120.1 . .
C82 C83 C84 120.4(7) . .
C82 C83 H83 119.8 . .
C84 C83 H83 119.8 . .
C85 C84 C83 119.9(7) . .
C85 C84 H84 120.0 . .
C83 C84 H84 120.0 . .
C80 C85 C84 118.4(6) . .
C80 C85 C86 118.1(6) . .
C84 C85 C86 123.2(7) . .
O11 C86 C87 124.3(6) . .
O11 C86 C85 116.0(6) . .
C87 C86 C85 119.8(6) . .
C86 C87 C88 122.8(6) . .
C86 C87 H87 118.6 . .
C88 C87 H87 118.6 . .
O12 C88 C87 123.6(6) . .
O12 C88 C89 115.6(6) . .
C87 C88 C89 120.8(6) . .
C90 C89 C94 116.3(7) . .
C90 C89 C88 124.5(7) . .
C94 C89 C88 119.3(6) . .
C89 C90 C91 122.1(8) . .
C89 C90 H90 118.9 . .
C91 C90 H90 118.9 . .
C92 C91 C90 121.4(8) . .
C92 C91 H91 119.3 . .
C90 C91 H91 119.3 . .
C91 C92 C93 118.3(8) . .
C91 C92 H92 120.9 . .
C93 C92 H92 120.9 . .
C92 C93 C94 120.5(8) . .
C92 C93 H93 119.8 . .
C94 C93 H93 119.8 . .
C89 C94 C93 121.4(8) . .
C89 C94 H94 119.3 . .
C93 C94 H94 119.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O6 2.306(4) .
Tb1 O4 2.315(4) .
Tb1 O1 2.345(4) 2_755
Tb1 O3 2.346(4) .
Tb1 O5 2.356(4) .
Tb1 O1 2.408(3) .
Tb1 N1 2.486(5) .
Tb1 N2 2.652(5) .
Tb1 Tb1 3.8445(12) 2_755
Tb2 O12 2.309(5) .
Tb2 O10 2.329(4) .
Tb2 O11 2.333(4) .
Tb2 O7 2.340(4) 2_676
Tb2 O9 2.366(4) .
Tb2 O7 2.399(4) .
Tb2 N3 2.477(5) .
Tb2 N4 2.757(5) .
Tb2 Tb2 3.8514(12) 2_676
O1 C2 1.327(7) .
O1 Tb1 2.345(4) 2_755
O2 C14 1.382(6) .
O2 C17 1.421(7) .
O3 C24 1.254(6) .
O4 C26 1.278(6) .
O5 C39 1.263(7) .
O6 C41 1.277(6) .
O7 C50 1.326(7) .
O7 Tb2 2.340(4) 2_676
O8 C62 1.380(9) .
O8 C48' 1.469(17) .
O8 C48 1.567(17) .
O9 C71 1.258(7) .
O10 C73 1.278(7) .
O11 C86 1.259(8) .
O12 C88 1.278(7) .
N1 C9 1.335(7) .
N1 C1 1.361(7) .
N2 C10 1.283(7) .
N2 C11 1.436(6) .
N3 C57 1.330(8) .
N3 C49 1.357(9) .
N4 C58 1.294(8) .
N4 C59 1.415(9) .
C1 C6 1.436(8) .
C1 C2 1.444(8) .
C2 C3 1.397(8) .
C3 C4 1.409(9) .
C3 H3 0.9500 .
C4 C5 1.367(9) .
C4 H4 0.9500 .
C5 C6 1.418(8) .
C5 H5 0.9500 .
C6 C7 1.403(8) .
C7 C8 1.366(8) .
C7 H7 0.9500 .
C8 C9 1.413(8) .
C8 H8 0.9500 .
C9 C10 1.474(8) .
C10 H10 0.9500 .
C11 C12 1.368(7) .
C11 C16 1.409(7) .
C12 C13 1.383(7) .
C12 H12 0.9500 .
C13 C14 1.381(8) .
C13 H13 0.9500 .
C14 C15 1.396(8) .
C15 C16 1.379(8) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.383(8) .
C18 C23 1.387(8) .
C18 H18 0.9500 .
C19 C20 1.392(9) .
C19 H19 0.9500 .
C20 C21 1.374(10) .
C20 H20 0.9500 .
C21 C22 1.395(8) .
C21 H21 0.9500 .
C22 C23 1.401(8) .
C22 H22 0.9500 .
C23 C24 1.504(7) .
C24 C25 1.420(7) .
C25 C26 1.391(7) .
C25 H25 0.9500 .
C26 C27 1.494(7) .
C27 C28 1.398(8) .
C27 C32 1.406(8) .
C28 C29 1.389(8) .
C28 H28 0.9500 .
C29 C30 1.362(9) .
C29 H29 0.9500 .
C30 C31 1.389(9) .
C30 H30 0.9500 .
C31 C32 1.397(8) .
C31 H31 0.9500 .
C32 H32 0.9500 .
C33 C38 1.384(9) .
C33 C34 1.402(9) .
C33 H33 0.9500 .
C34 C35 1.387(10) .
C34 H34 0.9500 .
C35 C36 1.376(10) .
C35 H35 0.9500 .
C36 C37 1.398(9) .
C36 H36 0.9500 .
C37 C38 1.404(8) .
C37 H37 0.9500 .
C38 C39 1.497(8) .
C39 C40 1.407(8) .
C40 C41 1.398(8) .
C40 H40 0.9500 .
C41 C42 1.495(8) .
C41 C42' 1.538(7) .
C42 C43 1.367(19) .
C42 C47 1.373(19) .
C43 C44 1.397(18) .
C43 H43 0.9500 .
C44 C45 1.33(2) .
C44 H44 0.9500 .
C45 C46 1.34(2) .
C45 H45 0.9500 .
C46 C47 1.393(17) .
C46 H46 0.9500 .
C47 H47 0.9500 .
C42' C43' 1.3900 .
C42' C47' 1.3900 .
C43' C44' 1.3900 .
C43' H43' 0.9500 .
C44' C45' 1.3900 .
C44' H44' 0.9500 .
C45' C46' 1.3900 .
C45' H45' 0.9500 .
C46' C47' 1.3900 .
C46' H46' 0.9500 .
C47' H47' 0.9500 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C48' H48D 0.9800 .
C48' H48E 0.9800 .
C48' H48F 0.9800 .
C49 C54 1.425(8) .
C49 C50 1.449(9) .
C50 C51 1.370(10) .
C51 C52 1.413(9) .
C51 H51 0.9500 .
C52 C53 1.375(11) .
C52 H52 0.9500 .
C53 C54 1.395(11) .
C53 H53 0.9500 .
C54 C55 1.418(10) .
C55 C56 1.348(10) .
C55 H55 0.9500 .
C56 C57 1.415(9) .
C56 H56 0.9500 .
C57 C58 1.443(10) .
C58 H58 0.9500 .
C59 C64 1.391(9) .
C59 C60 1.412(10) .
C60 C61 1.374(10) .
C60 H60 0.9500 .
C61 C62 1.375(11) .
C61 H61 0.9500 .
C62 C63 1.384(11) .
C63 C64 1.360(10) .
C63 H63 0.9500 .
C64 H64 0.9500 .
C65 C66 1.390(10) .
C65 C70 1.396(8) .
C65 H65 0.9500 .
C66 C67 1.382(11) .
C66 H66 0.9500 .
C67 C68 1.379(10) .
C67 H67 0.9500 .
C68 C69 1.370(9) .
C68 H68 0.9500 .
C69 C70 1.393(8) .
C69 H69 0.9500 .
C70 C71 1.517(8) .
C71 C72 1.409(8) .
C72 C73 1.405(8) .
C72 H72 0.9500 .
C73 C74 1.493(8) .
C74 C79 1.389(9) .
C74 C75 1.399(9) .
C75 C76 1.384(9) .
C75 H75 0.9500 .
C76 C77 1.362(12) .
C76 H76 0.9500 .
C77 C78 1.400(12) .
C77 H77 0.9500 .
C78 C79 1.402(10) .
C78 H78 0.9500 .
C79 H79 0.9500 .
C80 C85 1.389(10) .
C80 C81 1.394(10) .
C80 H80 0.9500 .
C81 C82 1.383(11) .
C81 H81 0.9500 .
C82 C83 1.379(11) .
C82 H82 0.9500 .
C83 C84 1.410(10) .
C83 H83 0.9500 .
C84 C85 1.401(9) .
C84 H84 0.9500 .
C85 C86 1.516(9) .
C86 C87 1.395(9) .
C87 C88 1.399(9) .
C87 H87 0.9500 .
C88 C89 1.505(9) .
C89 C90 1.362(10) .
C89 C94 1.376(10) .
C90 C91 1.375(12) .
C90 H90 0.9500 .
C91 C92 1.332(12) .
C91 H91 0.9500 .
C92 C93 1.371(12) .
C92 H92 0.9500 .
C93 C94 1.381(11) .
C93 H93 0.9500 .
C94 H94 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 C2 119.4(4) . .
O4 Tb1 O1 C2 -113.0(4) . .
O1 Tb1 O1 C2 -176.7(5) 2_755 .
O3 Tb1 O1 C2 -77.5(4) . .
O5 Tb1 O1 C2 75.0(4) . .
N1 Tb1 O1 C2 -1.2(4) . .
N2 Tb1 O1 C2 1.0(5) . .
Tb1 Tb1 O1 C2 -176.7(5) 2_755 .
O6 Tb1 O1 Tb1 -64.0(2) . 2_755
O4 Tb1 O1 Tb1 63.7(2) . 2_755
O1 Tb1 O1 Tb1 0.0 2_755 2_755
O3 Tb1 O1 Tb1 99.19(18) . 2_755
O5 Tb1 O1 Tb1 -108.33(17) . 2_755
N1 Tb1 O1 Tb1 175.5(2) . 2_755
N2 Tb1 O1 Tb1 177.65(14) . 2_755
O6 Tb1 O3 C24 9.0(7) . .
O4 Tb1 O3 C24 10.7(5) . .
O1 Tb1 O3 C24 -74.6(5) 2_755 .
O5 Tb1 O3 C24 174.4(5) . .
O1 Tb1 O3 C24 -144.7(5) . .
N1 Tb1 O3 C24 144.5(5) . .
N2 Tb1 O3 C24 83.8(5) . .
Tb1 Tb1 O3 C24 -109.4(5) 2_755 .
O6 Tb1 O4 C26 165.2(5) . .
O1 Tb1 O4 C26 80.6(5) 2_755 .
O3 Tb1 O4 C26 -14.0(5) . .
O5 Tb1 O4 C26 -172.8(4) . .
O1 Tb1 O4 C26 22.0(6) . .
N1 Tb1 O4 C26 -67.1(5) . .
N2 Tb1 O4 C26 -111.7(5) . .
Tb1 Tb1 O4 C26 57.0(5) 2_755 .
O6 Tb1 O5 C39 -4.6(5) . .
O4 Tb1 O5 C39 -27.5(7) . .
O1 Tb1 O5 C39 74.9(5) 2_755 .
O3 Tb1 O5 C39 -177.1(5) . .
O1 Tb1 O5 C39 142.1(6) . .
N1 Tb1 O5 C39 -147.2(6) . .
N2 Tb1 O5 C39 -85.2(5) . .
Tb1 Tb1 O5 C39 108.6(5) 2_755 .
O4 Tb1 O6 C41 160.2(6) . .
O1 Tb1 O6 C41 -112.2(6) 2_755 .
O3 Tb1 O6 C41 161.8(5) . .
O5 Tb1 O6 C41 -7.8(5) . .
O1 Tb1 O6 C41 -52.9(6) . .
N1 Tb1 O6 C41 38.7(6) . .
N2 Tb1 O6 C41 84.2(6) . .
Tb1 Tb1 O6 C41 -86.8(6) 2_755 .
O12 Tb2 O7 C50 116.7(4) . .
O10 Tb2 O7 C50 -116.6(4) . .
O11 Tb2 O7 C50 81.2(4) . .
O7 Tb2 O7 C50 178.2(5) 2_676 .
O9 Tb2 O7 C50 -70.2(4) . .
N3 Tb2 O7 C50 3.2(4) . .
N4 Tb2 O7 C50 1.6(5) . .
Tb2 Tb2 O7 C50 178.2(5) 2_676 .
O12 Tb2 O7 Tb2 -61.5(3) . 2_676
O10 Tb2 O7 Tb2 65.3(2) . 2_676
O11 Tb2 O7 Tb2 -97.01(19) . 2_676
O7 Tb2 O7 Tb2 0.0 2_676 2_676
O9 Tb2 O7 Tb2 111.61(19) . 2_676
N3 Tb2 O7 Tb2 -175.0(2) . 2_676
N4 Tb2 O7 Tb2 -176.57(15) . 2_676
O12 Tb2 O9 C71 11.0(7) . .
O10 Tb2 O9 C71 -16.6(5) . .
O11 Tb2 O9 C71 157.2(5) . .
O7 Tb2 O9 C71 -94.9(5) 2_676 .
O7 Tb2 O9 C71 -160.2(6) . .
N3 Tb2 O9 C71 128.0(6) . .
N4 Tb2 O9 C71 65.6(5) . .
Tb2 Tb2 O9 C71 -127.8(5) 2_676 .
O12 Tb2 O10 C73 -141.2(6) . .
O11 Tb2 O10 C73 -146.4(5) . .
O7 Tb2 O10 C73 131.9(6) 2_676 .
O9 Tb2 O10 C73 24.6(5) . .
O7 Tb2 O10 C73 72.1(6) . .
N3 Tb2 O10 C73 -17.8(6) . .
N4 Tb2 O10 C73 -65.7(5) . .
Tb2 Tb2 O10 C73 105.8(5) 2_676 .
O12 Tb2 O11 C86 -27.8(5) . .
O10 Tb2 O11 C86 -22.3(7) . .
O7 Tb2 O11 C86 57.6(6) 2_676 .
O9 Tb2 O11 C86 170.3(5) . .
O7 Tb2 O11 C86 127.7(6) . .
N3 Tb2 O11 C86 -161.3(6) . .
N4 Tb2 O11 C86 -100.2(6) . .
Tb2 Tb2 O11 C86 92.3(6) 2_676 .
O10 Tb2 O12 C88 -153.9(6) . .
O11 Tb2 O12 C88 23.5(6) . .
O7 Tb2 O12 C88 -69.3(6) 2_676 .
O9 Tb2 O12 C88 179.9(5) . .
O7 Tb2 O12 C88 -12.7(7) . .
N3 Tb2 O12 C88 78.3(6) . .
N4 Tb2 O12 C88 122.2(6) . .
Tb2 Tb2 O12 C88 -46.5(6) 2_676 .
O6 Tb1 N1 C9 55.1(5) . .
O4 Tb1 N1 C9 -46.2(5) . .
O1 Tb1 N1 C9 -172.2(4) 2_755 .
O3 Tb1 N1 C9 -99.4(4) . .
O5 Tb1 N1 C9 101.6(4) . .
O1 Tb1 N1 C9 -178.7(5) . .
N2 Tb1 N1 C9 3.1(4) . .
Tb1 Tb1 N1 C9 -176.1(4) 2_755 .
O6 Tb1 N1 C1 -125.1(4) . .
O4 Tb1 N1 C1 133.6(4) . .
O1 Tb1 N1 C1 7.6(5) 2_755 .
O3 Tb1 N1 C1 80.5(4) . .
O5 Tb1 N1 C1 -78.5(4) . .
O1 Tb1 N1 C1 1.1(4) . .
N2 Tb1 N1 C1 -177.0(4) . .
Tb1 Tb1 N1 C1 3.8(4) 2_755 .
O6 Tb1 N2 C10 -148.3(4) . .
O4 Tb1 N2 C10 130.2(4) . .
O1 Tb1 N2 C10 164.3(4) 2_755 .
O3 Tb1 N2 C10 60.2(4) . .
O5 Tb1 N2 C10 -77.1(4) . .
O1 Tb1 N2 C10 -9.8(5) . .
N1 Tb1 N2 C10 -7.6(4) . .
Tb1 Tb1 N2 C10 -4.3(7) 2_755 .
O6 Tb1 N2 C11 46.3(4) . .
O4 Tb1 N2 C11 -35.2(4) . .
O1 Tb1 N2 C11 -1.1(6) 2_755 .
O3 Tb1 N2 C11 -105.3(4) . .
O5 Tb1 N2 C11 117.5(4) . .
O1 Tb1 N2 C11 -175.2(4) . .
N1 Tb1 N2 C11 -173.0(5) . .
Tb1 Tb1 N2 C11 -169.8(3) 2_755 .
O12 Tb2 N3 C57 51.4(5) . .
O10 Tb2 N3 C57 -52.2(5) . .
O11 Tb2 N3 C57 105.2(5) . .
O7 Tb2 N3 C57 177.2(4) 2_676 .
O9 Tb2 N3 C57 -95.0(5) . .
O7 Tb2 N3 C57 -175.6(5) . .
N4 Tb2 N3 C57 3.1(4) . .
Tb2 Tb2 N3 C57 -178.5(4) 2_676 .
O12 Tb2 N3 C49 -137.4(4) . .
O10 Tb2 N3 C49 119.0(4) . .
O11 Tb2 N3 C49 -83.6(4) . .
O7 Tb2 N3 C49 -11.6(5) 2_676 .
O9 Tb2 N3 C49 76.1(4) . .
O7 Tb2 N3 C49 -4.4(4) . .
N4 Tb2 N3 C49 174.2(5) . .
Tb2 Tb2 N3 C49 -7.4(4) 2_676 .
O12 Tb2 N4 C58 -139.4(5) . .
O10 Tb2 N4 C58 137.6(5) . .
O11 Tb2 N4 C58 -70.1(5) . .
O7 Tb2 N4 C58 -170.5(4) 2_676 .
O9 Tb2 N4 C58 67.0(4) . .
O7 Tb2 N4 C58 1.0(5) . .
N3 Tb2 N4 C58 -0.6(4) . .
Tb2 Tb2 N4 C58 -7.2(8) 2_676 .
O12 Tb2 N4 C59 40.7(5) . .
O10 Tb2 N4 C59 -42.2(5) . .
O11 Tb2 N4 C59 110.1(5) . .
O7 Tb2 N4 C59 9.7(8) 2_676 .
O9 Tb2 N4 C59 -112.8(5) . .
O7 Tb2 N4 C59 -178.8(5) . .
N3 Tb2 N4 C59 179.6(6) . .
Tb2 Tb2 N4 C59 173.0(4) 2_676 .
C9 N1 C1 C6 -1.2(8) . .
Tb1 N1 C1 C6 179.0(4) . .
C9 N1 C1 C2 178.9(5) . .
Tb1 N1 C1 C2 -1.0(6) . .
Tb1 O1 C2 C3 5.1(9) 2_755 .
Tb1 O1 C2 C3 -179.2(5) . .
Tb1 O1 C2 C1 -174.6(4) 2_755 .
Tb1 O1 C2 C1 1.2(7) . .
N1 C1 C2 O1 -0.1(8) . .
C6 C1 C2 O1 180.0(5) . .
N1 C1 C2 C3 -179.7(5) . .
C6 C1 C2 C3 0.3(8) . .
O1 C2 C3 C4 -178.5(6) . .
C1 C2 C3 C4 1.2(10) . .
C2 C3 C4 C5 -1.2(11) . .
C3 C4 C5 C6 -0.4(11) . .
C4 C5 C6 C7 179.7(6) . .
C4 C5 C6 C1 1.8(9) . .
N1 C1 C6 C7 0.2(8) . .
C2 C1 C6 C7 -179.9(5) . .
N1 C1 C6 C5 178.2(5) . .
C2 C1 C6 C5 -1.8(9) . .
C5 C6 C7 C8 -177.2(6) . .
C1 C6 C7 C8 0.7(9) . .
C6 C7 C8 C9 -0.6(9) . .
C1 N1 C9 C8 1.3(8) . .
Tb1 N1 C9 C8 -178.8(4) . .
C1 N1 C9 C10 -178.9(5) . .
Tb1 N1 C9 C10 1.0(7) . .
C7 C8 C9 N1 -0.4(9) . .
C7 C8 C9 C10 179.8(5) . .
C11 N2 C10 C9 177.9(5) . .
Tb1 N2 C10 C9 11.4(7) . .
N1 C9 C10 N2 -8.7(8) . .
C8 C9 C10 N2 171.1(6) . .
C10 N2 C11 C12 -58.7(8) . .
Tb1 N2 C11 C12 106.7(6) . .
C10 N2 C11 C16 124.4(6) . .
Tb1 N2 C11 C16 -70.2(7) . .
C16 C11 C12 C13 0.1(9) . .
N2 C11 C12 C13 -176.7(5) . .
C11 C12 C13 C14 1.6(9) . .
C12 C13 C14 O2 177.9(6) . .
C12 C13 C14 C15 -2.8(9) . .
C17 O2 C14 C13 -6.1(9) . .
C17 O2 C14 C15 174.5(6) . .
C13 C14 C15 C16 2.4(10) . .
O2 C14 C15 C16 -178.3(6) . .
C14 C15 C16 C11 -0.6(11) . .
C12 C11 C16 C15 -0.6(10) . .
N2 C11 C16 C15 176.4(6) . .
C23 C18 C19 C20 -2.2(10) . .
C18 C19 C20 C21 2.4(11) . .
C19 C20 C21 C22 -2.4(11) . .
C20 C21 C22 C23 2.0(10) . .
C19 C18 C23 C22 1.8(9) . .
C19 C18 C23 C24 -179.9(5) . .
C21 C22 C23 C18 -1.8(9) . .
C21 C22 C23 C24 -180.0(5) . .
Tb1 O3 C24 C25 -6.6(9) . .
Tb1 O3 C24 C23 173.2(3) . .
C18 C23 C24 O3 -19.2(7) . .
C22 C23 C24 O3 159.0(5) . .
C18 C23 C24 C25 160.6(5) . .
C22 C23 C24 C25 -21.2(8) . .
O3 C24 C25 C26 -1.9(9) . .
C23 C24 C25 C26 178.3(5) . .
Tb1 O4 C26 C25 13.1(8) . .
Tb1 O4 C26 C27 -168.8(3) . .
C24 C25 C26 O4 -1.1(8) . .
C24 C25 C26 C27 -179.0(5) . .
O4 C26 C27 C28 161.1(5) . .
C25 C26 C27 C28 -20.8(8) . .
O4 C26 C27 C32 -20.3(7) . .
C25 C26 C27 C32 157.8(5) . .
C32 C27 C28 C29 -1.6(9) . .
C26 C27 C28 C29 177.0(5) . .
C27 C28 C29 C30 0.4(10) . .
C28 C29 C30 C31 1.1(10) . .
C29 C30 C31 C32 -1.3(10) . .
C30 C31 C32 C27 0.1(9) . .
C28 C27 C32 C31 1.3(8) . .
C26 C27 C32 C31 -177.3(5) . .
C38 C33 C34 C35 0.1(10) . .
C33 C34 C35 C36 -1.1(11) . .
C34 C35 C36 C37 0.9(11) . .
C35 C36 C37 C38 0.3(10) . .
C34 C33 C38 C37 1.1(9) . .
C34 C33 C38 C39 175.6(6) . .
C36 C37 C38 C33 -1.3(9) . .
C36 C37 C38 C39 -175.6(6) . .
Tb1 O5 C39 C40 14.4(9) . .
Tb1 O5 C39 C38 -165.5(4) . .
C33 C38 C39 O5 -16.7(8) . .
C37 C38 C39 O5 157.6(6) . .
C33 C38 C39 C40 163.4(6) . .
C37 C38 C39 C40 -22.3(9) . .
O5 C39 C40 C41 -13.6(9) . .
C38 C39 C40 C41 166.2(6) . .
Tb1 O6 C41 C40 9.3(9) . .
Tb1 O6 C41 C42 -173.6(8) . .
Tb1 O6 C41 C42' -168.7(6) . .
C39 C40 C41 O6 2.7(9) . .
C39 C40 C41 C42 -174.2(9) . .
C39 C40 C41 C42' -179.4(7) . .
O6 C41 C42 C43 -159.6(12) . .
C40 C41 C42 C43 17.6(18) . .
C42' C41 C42 C43 134(11) . .
O6 C41 C42 C47 15.6(17) . .
C40 C41 C42 C47 -167.2(11) . .
C42' C41 C42 C47 -51(10) . .
C47 C42 C43 C44 4(2) . .
C41 C42 C43 C44 178.7(12) . .
C42 C43 C44 C45 1(2) . .
C43 C44 C45 C46 -2(2) . .
C44 C45 C46 C47 -2(2) . .
C43 C42 C47 C46 -7(2) . .
C41 C42 C47 C46 177.9(11) . .
C45 C46 C47 C42 6(2) . .
O6 C41 C42' C43' 141.1(6) . .
C40 C41 C42' C43' -36.9(10) . .
C42 C41 C42' C43' -103(10) . .
O6 C41 C42' C47' -34.4(9) . .
C40 C41 C42' C47' 147.6(6) . .
C42 C41 C42' C47' 81(10) . .
C47' C42' C43' C44' 0.0 . .
C41 C42' C43' C44' -175.5(11) . .
C42' C43' C44' C45' 0.0 . .
C43' C44' C45' C46' 0.0 . .
C44' C45' C46' C47' 0.0 . .
C45' C46' C47' C42' 0.0 . .
C43' C42' C47' C46' 0.0 . .
C41 C42' C47' C46' 175.4(11) . .
C57 N3 C49 C54 -3.5(9) . .
Tb2 N3 C49 C54 -175.1(5) . .
C57 N3 C49 C50 176.9(6) . .
Tb2 N3 C49 C50 5.4(7) . .
Tb2 O7 C50 C51 -4.8(10) 2_676 .
Tb2 O7 C50 C51 177.5(5) . .
Tb2 O7 C50 C49 175.9(4) 2_676 .
Tb2 O7 C50 C49 -1.8(7) . .
N3 C49 C50 O7 -2.6(9) . .
C54 C49 C50 O7 177.9(6) . .
N3 C49 C50 C51 178.1(6) . .
C54 C49 C50 C51 -1.4(9) . .
O7 C50 C51 C52 -176.8(7) . .
C49 C50 C51 C52 2.5(11) . .
C50 C51 C52 C53 -2.5(13) . .
C51 C52 C53 C54 1.2(13) . .
C52 C53 C54 C55 178.5(8) . .
C52 C53 C54 C49 -0.2(12) . .
N3 C49 C54 C53 -179.2(7) . .
C50 C49 C54 C53 0.3(10) . .
N3 C49 C54 C55 2.0(9) . .
C50 C49 C54 C55 -178.5(6) . .
C53 C54 C55 C56 -178.7(7) . .
C49 C54 C55 C56 0.0(10) . .
C54 C55 C56 C57 -0.4(10) . .
C49 N3 C57 C56 3.1(9) . .
Tb2 N3 C57 C56 173.9(4) . .
C49 N3 C57 C58 -176.0(6) . .
Tb2 N3 C57 C58 -5.2(8) . .
C55 C56 C57 N3 -1.1(10) . .
C55 C56 C57 C58 178.0(6) . .
C59 N4 C58 C57 178.2(6) . .
Tb2 N4 C58 C57 -1.7(8) . .
N3 C57 C58 N4 4.4(10) . .
C56 C57 C58 N4 -174.7(6) . .
C58 N4 C59 C64 -165.5(6) . .
Tb2 N4 C59 C64 14.4(9) . .
C58 N4 C59 C60 15.5(10) . .
Tb2 N4 C59 C60 -164.7(5) . .
C64 C59 C60 C61 3.5(11) . .
N4 C59 C60 C61 -177.4(7) . .
C59 C60 C61 C62 -1.4(12) . .
C60 C61 C62 O8 179.3(7) . .
C60 C61 C62 C63 -0.6(12) . .
C48' O8 C62 C61 -163.8(11) . .
C48 O8 C62 C61 158.5(9) . .
C48' O8 C62 C63 16.1(16) . .
C48 O8 C62 C63 -21.6(12) . .
C61 C62 C63 C64 0.3(12) . .
O8 C62 C63 C64 -179.5(8) . .
C62 C63 C64 C59 2.0(12) . .
C60 C59 C64 C63 -3.8(11) . .
N4 C59 C64 C63 177.0(7) . .
C70 C65 C66 C67 -1.5(10) . .
C65 C66 C67 C68 -0.6(11) . .
C66 C67 C68 C69 2.4(12) . .
C67 C68 C69 C70 -2.2(11) . .
C68 C69 C70 C65 0.2(9) . .
C68 C69 C70 C71 179.2(6) . .
C66 C65 C70 C69 1.6(9) . .
C66 C65 C70 C71 -177.5(6) . .
Tb2 O9 C71 C72 7.1(9) . .
Tb2 O9 C71 C70 -173.2(4) . .
C69 C70 C71 O9 158.8(6) . .
C65 C70 C71 O9 -22.2(7) . .
C69 C70 C71 C72 -21.6(8) . .
C65 C70 C71 C72 157.5(5) . .
O9 C71 C72 C73 7.0(8) . .
C70 C71 C72 C73 -172.6(5) . .
Tb2 O10 C73 C72 -23.1(9) . .
Tb2 O10 C73 C74 155.0(4) . .
C71 C72 C73 O10 0.3(8) . .
C71 C72 C73 C74 -177.7(5) . .
O10 C73 C74 C79 22.9(8) . .
C72 C73 C74 C79 -158.9(6) . .
O10 C73 C74 C75 -151.8(6) . .
C72 C73 C74 C75 26.4(8) . .
C79 C74 C75 C76 -1.6(9) . .
C73 C74 C75 C76 173.1(6) . .
C74 C75 C76 C77 0.0(11) . .
C75 C76 C77 C78 2.1(12) . .
C76 C77 C78 C79 -2.6(11) . .
C75 C74 C79 C78 1.1(10) . .
C73 C74 C79 C78 -173.8(6) . .
C77 C78 C79 C74 1.0(11) . .
C85 C80 C81 C82 -1.0(10) . .
C80 C81 C82 C83 1.8(10) . .
C81 C82 C83 C84 -1.5(10) . .
C82 C83 C84 C85 0.4(10) . .
C81 C80 C85 C84 0.0(9) . .
C81 C80 C85 C86 174.5(6) . .
C83 C84 C85 C80 0.3(9) . .
C83 C84 C85 C86 -173.9(6) . .
Tb2 O11 C86 C87 26.4(9) . .
Tb2 O11 C86 C85 -152.3(4) . .
C80 C85 C86 O11 -2.1(8) . .
C84 C85 C86 O11 172.2(5) . .
C80 C85 C86 C87 179.0(6) . .
C84 C85 C86 C87 -6.7(9) . .
O11 C86 C87 C88 -5.0(10) . .
C85 C86 C87 C88 173.8(6) . .
Tb2 O12 C88 C87 -17.6(10) . .
Tb2 O12 C88 C89 162.4(4) . .
C86 C87 C88 O12 0.5(10) . .
C86 C87 C88 C89 -179.5(6) . .
O12 C88 C89 C90 -177.0(7) . .
C87 C88 C89 C90 3.0(11) . .
O12 C88 C89 C94 3.7(10) . .
C87 C88 C89 C94 -176.3(8) . .
C94 C89 C90 C91 -1.5(14) . .
C88 C89 C90 C91 179.2(8) . .
C89 C90 C91 C92 0.0(17) . .
C90 C91 C92 C93 2.2(16) . .
C91 C92 C93 C94 -3.0(16) . .
C90 C89 C94 C93 0.7(15) . .
C88 C89 C94 C93 -180.0(9) . .
C92 C93 C94 C89 1.5(17) . .
