#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:14:35 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179473 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/70/4337080.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_4337080
loop_
_publ_author_name
'Gao, Cunji'
'Kirillov, Alexander M.'
'Dou, Wei'
'Tang, Xiaoliang'
'Liu, Liangliang'
'Yan, Xuhuan'
'Xie, Yujie'
'Zang, Peixian'
'Liu, Weisheng'
'Tang, Yu'
_publ_section_title
;
 Self-Assembly Synthesis, Structural Features, and Photophysical
 Properties of Dilanthanide Complexes Derived from a Novel Amide Type
 Ligand: Energy Transfer from Tb(III) to Eu(III) in a Heterodinuclear
 Derivative.
;
_journal_issue                   2
_journal_name_full               'Inorganic chemistry'
_journal_page_first              935
_journal_page_last               942
_journal_paper_doi               10.1021/ic402338q
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C74 H82 N12 O32 Tb2'
_chemical_formula_weight         1969.36
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 104.485(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.338(4)
_cell_length_b                   13.490(3)
_cell_length_c                   19.957(5)
_cell_measurement_reflns_used    7083
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.49
_cell_measurement_theta_min      2.39
_cell_volume                     4258.7(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0320
_diffrn_reflns_av_sigmaI/netI    0.0394
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            22866
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    1.737
_exptl_absorpt_correction_T_max  0.648
_exptl_absorpt_correction_T_min  0.589
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1992
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.290
_refine_diff_density_min         -0.762
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     636
_refine_ls_number_reflns         7898
_refine_ls_number_restraints     957
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0600P)²+14.0810P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1347
_reflns_number_gt                5845
_reflns_number_total             7898
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic402338q_si_003.cif
_cod_data_source_block           p21c
_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/current/ACS/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_cell_volume        4258.7(16)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4337080
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
C4 C 0.5921(4) 0.2199(5) -0.2417(3) 0.0503(16) Uani 1 1 d . A 2
C3 C 0.6540(5) 0.2077(7) -0.2742(4) 0.064(2) Uani 1 1 d . A 2
H3 H 0.6690 0.1491 -0.2925 0.077 Uiso 1 1 calc R A 2
C2 C 0.6920(6) 0.3025(8) -0.2751(5) 0.076(3) Uani 1 1 d . A 2
H2 H 0.7364 0.3175 -0.2947 0.091 Uiso 1 1 calc R A 2
C1 C 0.6534(7) 0.3640(8) -0.2436(5) 0.088(3) Uani 1 1 d . A 2
H1 H 0.6670 0.4307 -0.2363 0.106 Uiso 1 1 calc R A 2
C16 C 0.8843(3) 0.1744(6) -0.0850(4) 0.0935(18) Uani 0.50 1 d PGU B 1
C17 C 0.9143(5) 0.0909(6) -0.1120(4) 0.0962(18) Uani 0.50 1 d PGU B 1
H17 H 0.8776 0.0524 -0.1451 0.115 Uiso 0.50 1 calc PR B 1
C18 C 0.9991(5) 0.0650(5) -0.0897(5) 0.0968(18) Uani 0.50 1 d PGU B 1
H18 H 1.0192 0.0091 -0.1078 0.116 Uiso 0.50 1 calc PR B 1
C19 C 1.0539(3) 0.1225(6) -0.0404(4) 0.0967(18) Uani 0.50 1 d PGU B 1
H19 H 1.1106 0.1051 -0.0255 0.116 Uiso 0.50 1 calc PR B 1
C20 C 1.0239(4) 0.2059(5) -0.0133(3) 0.0959(18) Uani 0.50 1 d PGU B 1
H20 H 1.0605 0.2444 0.0197 0.115 Uiso 0.50 1 calc PR B 1
C21 C 0.9391(4) 0.2319(5) -0.0356(4) 0.0951(18) Uani 0.50 1 d PGU B 1
H21 H 0.9190 0.2877 -0.0175 0.114 Uiso 0.50 1 calc PR B 1
C16' C 0.8934(3) 0.1766(6) -0.0678(4) 0.0937(18) Uani 0.50 1 d PGU B 2
C17' C 0.9254(4) 0.0862(5) -0.0830(4) 0.0959(18) Uani 0.50 1 d PGU B 2
H17' H 0.8894 0.0395 -0.1094 0.115 Uiso 0.50 1 calc PR B 2
C18' C 1.0111(5) 0.0657(4) -0.0589(5) 0.0968(18) Uani 0.50 1 d PGU B 2
H18' H 1.0325 0.0053 -0.0690 0.116 Uiso 0.50 1 calc PR B 2
C19' C 1.0648(3) 0.1356(6) -0.0195(4) 0.0967(18) Uani 0.50 1 d PGU B 2
H19' H 1.1221 0.1219 -0.0033 0.116 Uiso 0.50 1 calc PR B 2
C20' C 1.0328(4) 0.2260(6) -0.0042(4) 0.0963(18) Uani 0.50 1 d PGU B 2
H20' H 1.0687 0.2728 0.0221 0.116 Uiso 0.50 1 calc PR B 2
C21' C 0.9471(5) 0.2465(5) -0.0284(4) 0.0953(18) Uani 0.50 1 d PGU B 2
H21' H 0.9257 0.3070 -0.0182 0.114 Uiso 0.50 1 calc PR B 2
O6A O 0.9188(14) 0.5442(18) 0.1822(13) 0.146(4) Uani 0.383(9) 1 d PDU C 1
C35A C 0.9916(16) 0.497(2) 0.1965(13) 0.143(4) Uani 0.383(9) 1 d PDU C 1
H35A H 1.0178 0.4678 0.2387 0.172 Uiso 0.383(9) 1 calc PR C 1
C34A C 1.0205(14) 0.497(2) 0.1413(17) 0.142(4) Uani 0.383(9) 1 d PDU C 1
H34A H 1.0708 0.4690 0.1369 0.171 Uiso 0.383(9) 1 calc PR C 1
C33A C 0.965(2) 0.545(2) 0.0927(12) 0.143(4) Uani 0.383(9) 1 d PDU C 1
H33A H 0.9702 0.5568 0.0479 0.172 Uiso 0.383(9) 1 calc PR C 1
C32A C 0.9034(15) 0.574(2) 0.1177(15) 0.139(4) Uani 0.383(9) 1 d PDU C 1
O6B O 0.9724(10) 0.5925(10) 0.1426(8) 0.146(3) Uani 0.617(9) 1 d PDU C 2
C35B C 1.0357(9) 0.5347(13) 0.1404(9) 0.145(4) Uani 0.617(9) 1 d PDU C 2
H35B H 1.0858 0.5283 0.1746 0.174 Uiso 0.617(9) 1 calc PR C 2
C34B C 1.0160(11) 0.4873(12) 0.0810(10) 0.145(4) Uani 0.617(9) 1 d PDU C 2
H34B H 1.0494 0.4411 0.0656 0.173 Uiso 0.617(9) 1 calc PR C 2
C33B C 0.9393(12) 0.5178(14) 0.0470(8) 0.144(4) Uani 0.617(9) 1 d PDU C 2
H33B H 0.9097 0.4971 0.0031 0.173 Uiso 0.617(9) 1 calc PR C 2
C32B C 0.9130(9) 0.5821(13) 0.0863(10) 0.138(4) Uani 0.617(9) 1 d PDU C 2
O1 O 0.5902(4) 0.3173(4) -0.2227(3) 0.0760(16) Uani 1 1 d . . .
C5 C 0.5263(4) 0.1538(6) -0.2270(4) 0.0585(19) Uani 1 1 d . . .
H5A H 0.4712 0.1766 -0.2530 0.070 Uiso 1 1 calc R A 2
H5B H 0.5345 0.0873 -0.2427 0.070 Uiso 1 1 calc R A 2
C6 C 0.4598(4) 0.1552(4) -0.1299(3) 0.0397(14) Uani 1 1 d . . .
C7 C 0.4668(4) 0.1484(4) -0.0534(3) 0.0423(15) Uani 1 1 d . A .
C8 C 0.3966(5) 0.1749(5) -0.0301(4) 0.0503(16) Uani 1 1 d . . .
H8 H 0.3482 0.1956 -0.0623 0.060 Uiso 1 1 calc R A .
C9 C 0.3956(6) 0.1717(6) 0.0390(4) 0.065(2) Uani 1 1 d . A .
H9 H 0.3480 0.1921 0.0528 0.078 Uiso 1 1 calc R . .
C10 C 0.4649(6) 0.1385(6) 0.0862(4) 0.070(2) Uani 1 1 d . . .
H10 H 0.4639 0.1343 0.1325 0.084 Uiso 1 1 calc R A .
C11 C 0.5354(5) 0.1112(5) 0.0670(4) 0.059(2) Uani 1 1 d . A .
H11 H 0.5824 0.0886 0.1001 0.071 Uiso 1 1 calc R . .
C12 C 0.5380(4) 0.1170(5) -0.0040(4) 0.0480(16) Uani 1 1 d . . .
C13 C 0.6877(5) 0.0839(6) 0.0222(4) 0.066(2) Uani 1 1 d . . .
H13A H 0.6952 0.0175 0.0415 0.079 Uiso 1 1 calc R A .
H13B H 0.6915 0.1306 0.0598 0.079 Uiso 1 1 calc R . .
C14 C 0.7538(5) 0.1054(6) -0.0146(4) 0.0598(19) Uani 1 1 d . A .
H14A H 0.8083 0.1053 0.0188 0.072 Uiso 1 1 calc R . .
H14B H 0.7543 0.0521 -0.0472 0.072 Uiso 1 1 calc R . .
C15 C 0.7955(5) 0.1986(6) -0.1033(4) 0.064(2) Uani 1 1 d . . .
H15A H 0.7684 0.1532 -0.1397 0.077 Uiso 1 1 calc R B 1
H15B H 0.7904 0.2643 -0.1237 0.077 Uiso 1 1 calc R B 1
C22 C 0.7516(5) 0.2896(6) -0.0117(4) 0.0601(19) Uani 1 1 d . . .
H22A H 0.7765 0.3411 -0.0342 0.072 Uiso 1 1 calc R B .
H22B H 0.7885 0.2785 0.0339 0.072 Uiso 1 1 calc R . .
C23 C 0.6656(5) 0.3229(5) -0.0049(4) 0.061(2) Uani 1 1 d . B .
H23A H 0.6280 0.3333 -0.0504 0.073 Uiso 1 1 calc R . .
H23B H 0.6410 0.2727 0.0189 0.073 Uiso 1 1 calc R . .
C24 C 0.6132(4) 0.4460(4) 0.0620(3) 0.0401(14) Uani 1 1 d . B .
C25 C 0.5368(4) 0.3964(5) 0.0541(3) 0.0456(15) Uani 1 1 d . . .
H25 H 0.5261 0.3395 0.0270 0.055 Uiso 1 1 calc R . .
C26 C 0.4769(4) 0.4305(5) 0.0858(4) 0.0489(16) Uani 1 1 d . . .
H26 H 0.4263 0.3960 0.0801 0.059 Uiso 1 1 calc R . .
C27 C 0.4902(4) 0.5144(5) 0.1257(4) 0.0510(17) Uani 1 1 d . . .
H27 H 0.4492 0.5367 0.1471 0.061 Uiso 1 1 calc R . .
C28 C 0.5652(4) 0.5653(5) 0.1338(3) 0.0452(15) Uani 1 1 d . . .
H28 H 0.5745 0.6221 0.1610 0.054 Uiso 1 1 calc R . .
C29 C 0.6277(4) 0.5333(4) 0.1017(3) 0.0385(14) Uani 1 1 d . . .
C30 C 0.7049(4) 0.5959(5) 0.1122(3) 0.0419(14) Uani 1 1 d . . .
C31 C 0.8345(5) 0.6380(6) 0.0769(5) 0.068(2) Uani 1 1 d . . .
H31A H 0.8413 0.6846 0.1149 0.081 Uiso 1 1 calc R C 2
H31B H 0.8267 0.6766 0.0347 0.081 Uiso 1 1 calc R C 2
Tb1 Tb 0.261887(19) 0.21621(2) -0.240460(16) 0.04032(12) Uani 1 1 d . . .
N1 N 0.5278(3) 0.1505(4) -0.1541(3) 0.0497(14) Uani 1 1 d . A .
H1A H 0.5761 0.1451 -0.1248 0.060 Uiso 1 1 calc R . .
N2 N 0.7444(4) 0.1986(4) -0.0520(3) 0.0478(14) Uani 1 1 d . A .
N3 N 0.7577(4) 0.5814(4) 0.0729(3) 0.0578(16) Uani 1 1 d . C .
H3A H 0.7458 0.5349 0.0425 0.069 Uiso 1 1 calc R . .
N4 N 0.3026(5) 0.3926(5) -0.3079(3) 0.0639(17) Uani 1 1 d . A .
N5 N 0.2603(4) 0.1090(5) -0.3678(3) 0.0596(16) Uani 1 1 d . . .
N6 N 0.1997(4) 0.0474(5) -0.1763(3) 0.0525(15) Uani 1 1 d . A .
O3 O 0.6061(3) 0.0923(4) -0.0271(3) 0.0592(13) Uani 1 1 d . A .
O4 O 0.6764(3) 0.4137(3) 0.0337(3) 0.0541(12) Uani 1 1 d . . .
O5 O 0.7182(3) 0.6631(4) 0.1569(3) 0.0574(13) Uani 1 1 d . . .
O7 O 0.3552(3) 0.3227(4) -0.2875(3) 0.0577(13) Uani 1 1 d . A .
O8 O 0.3247(5) 0.4699(5) -0.3291(4) 0.102(2) Uani 1 1 d . . .
O9 O 0.2277(4) 0.3758(4) -0.3039(3) 0.0774(17) Uani 1 1 d . A .
O10 O 0.3237(3) 0.1078(4) -0.3160(2) 0.0557(12) Uani 1 1 d . A .
O11 O 0.2575(4) 0.0556(6) -0.4178(3) 0.098(2) Uani 1 1 d . A .
O12 O 0.2017(3) 0.1677(5) -0.3627(3) 0.0679(15) Uani 1 1 d . A .
O13 O 0.2135(3) 0.0452(4) -0.2361(3) 0.0598(13) Uani 1 1 d . A .
O14 O 0.1705(4) -0.0242(5) -0.1531(3) 0.0838(18) Uani 1 1 d . . .
O15 O 0.2171(3) 0.1267(4) -0.1432(3) 0.0617(13) Uani 1 1 d . A .
O2 O 0.3886(3) 0.1666(4) -0.1704(2) 0.0489(11) Uani 1 1 d . A .
O16 O 0.1173(3) 0.2404(5) -0.2554(3) 0.0724(14) Uani 0.542(13) 1 d PDU A 1
C36 C 0.0399(7) 0.2529(14) -0.3063(7) 0.073(3) Uani 0.542(13) 1 d PDU A 1
H36A H 0.0363 0.2069 -0.3443 0.088 Uiso 0.542(13) 1 calc PR A 1
H36B H 0.0351 0.3200 -0.3244 0.088 Uiso 0.542(13) 1 calc PR A 1
C37 C -0.0289(9) 0.2321(16) -0.2696(10) 0.097(5) Uani 0.542(13) 1 d PDU A 1
H37A H -0.0120 0.1781 -0.2378 0.146 Uiso 0.542(13) 1 calc PR A 1
H37B H -0.0802 0.2149 -0.3031 0.146 Uiso 0.542(13) 1 calc PR A 1
H37C H -0.0383 0.2902 -0.2447 0.146 Uiso 0.542(13) 1 calc PR A 1
O16' O 0.1173(3) 0.2404(5) -0.2554(3) 0.0724(14) Uani 0.458(13) 1 d PDU A 2
C36' C 0.0474(7) 0.3127(10) -0.2712(9) 0.060(3) Uani 0.458(13) 1 d PDU A 2
H36C H 0.0572 0.3627 -0.3032 0.072 Uiso 0.458(13) 1 calc PR A 2
H36D H 0.0414 0.3452 -0.2293 0.072 Uiso 0.458(13) 1 calc PR A 2
C37' C -0.0291(9) 0.2538(17) -0.3028(12) 0.086(5) Uani 0.458(13) 1 d PDU A 2
H37D H -0.0274 0.2782 -0.3476 0.103 Uiso 0.458(13) 1 d PR A 2
H37E H -0.0799 0.2764 -0.2917 0.103 Uiso 0.458(13) 1 d PR A 2
H37F H -0.0283 0.1826 -0.3031 0.103 Uiso 0.458(13) 1 d PR A 2
H16 H 0.1050(14) 0.206(2) -0.2233(13) 0.25(9) Uiso 1 1 d D D 1
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
C3 C4 O1 108.8(7) . .
C3 C4 C5 134.0(7) . .
O1 C4 C5 117.1(6) . .
C4 C3 C2 106.3(8) . .
C4 C3 H3 126.9 . .
C2 C3 H3 126.9 . .
C1 C2 C3 107.6(8) . .
C1 C2 H2 126.2 . .
C3 C2 H2 126.2 . .
C2 C1 O1 110.5(9) . .
C2 C1 H1 124.7 . .
O1 C1 H1 124.7 . .
C17 C16 C21 120.0 . .
C17 C16 C15 121.0(6) . .
C21 C16 C15 118.8(6) . .
C18 C17 C16 120.0 . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C19 C18 C17 120.0 . .
C19 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C18 C19 C20 120.0 . .
C18 C19 H19 120.0 . .
C20 C19 H19 120.0 . .
C21 C20 C19 120.0 . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C20 C21 C16 120.0 . .
C20 C21 H21 120.0 . .
C16 C21 H21 120.0 . .
C17' C16' C21' 120.0 . .
C17' C16' C15 116.9(5) . .
C21' C16' C15 122.8(6) . .
C18' C17' C16' 120.0 . .
C18' C17' H17' 120.0 . .
C16' C17' H17' 120.0 . .
C17' C18' C19' 120.0 . .
C17' C18' H18' 120.0 . .
C19' C18' H18' 120.0 . .
C20' C19' C18' 120.0 . .
C20' C19' H19' 120.0 . .
C18' C19' H19' 120.0 . .
C21' C20' C19' 120.0 . .
C21' C20' H20' 120.0 . .
C19' C20' H20' 120.0 . .
C20' C21' C16' 120.0 . .
C20' C21' H21' 120.0 . .
C16' C21' H21' 120.0 . .
C32A O6A C35A 107.7(6) . .
C34A C35A O6A 108.1(6) . .
C34A C35A H35A 126.0 . .
O6A C35A H35A 126.0 . .
C35A C34A C33A 107.5(6) . .
C35A C34A H34A 126.2 . .
C33A C34A H34A 126.2 . .
C32A C33A C34A 108.6(7) . .
C32A C33A H33A 125.7 . .
C34A C33A H33A 125.7 . .
C33A C32A O6A 108.1(6) . .
C32B O6B C35B 109.5(6) . .
O6B C35B C34B 107.7(6) . .
O6B C35B H35B 126.1 . .
C34B C35B H35B 126.1 . .
C35B C34B C33B 107.3(6) . .
C35B C34B H34B 126.4 . .
C33B C34B H34B 126.4 . .
C32B C33B C34B 107.8(6) . .
C32B C33B H33B 126.1 . .
C34B C33B H33B 126.1 . .
O6B C32B C33B 107.7(6) . .
O6B C32B C31 120.0(15) . .
C33B C32B C31 132.4(15) . .
C1 O1 C4 106.8(7) . .
N1 C5 C4 112.7(6) . .
N1 C5 H5A 109.1 . .
C4 C5 H5A 109.1 . .
N1 C5 H5B 109.1 . .
C4 C5 H5B 109.1 . .
H5A C5 H5B 107.8 . .
O2 C6 N1 120.1(6) . .
O2 C6 C7 119.2(6) . .
N1 C6 C7 120.7(6) . .
C8 C7 C12 117.1(6) . .
C8 C7 C6 117.7(6) . .
C12 C7 C6 125.2(6) . .
C9 C8 C7 122.9(7) . .
C9 C8 H8 118.5 . .
C7 C8 H8 118.5 . .
C10 C9 C8 119.2(8) . .
C10 C9 H9 120.4 . .
C8 C9 H9 120.4 . .
C11 C10 C9 121.0(8) . .
C11 C10 H10 119.5 . .
C9 C10 H10 119.5 . .
C10 C11 C12 120.2(7) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
O3 C12 C7 116.6(6) . .
O3 C12 C11 123.8(6) . .
C7 C12 C11 119.5(7) . .
O3 C13 C14 108.0(6) . .
O3 C13 H13A 110.1 . .
C14 C13 H13A 110.1 . .
O3 C13 H13B 110.1 . .
C14 C13 H13B 110.1 . .
H13A C13 H13B 108.4 . .
N2 C14 C13 115.4(6) . .
N2 C14 H14A 108.4 . .
C13 C14 H14A 108.4 . .
N2 C14 H14B 108.4 . .
C13 C14 H14B 108.4 . .
H14A C14 H14B 107.5 . .
C16 C15 N2 122.2(7) . .
C16 C15 C16' 11.21(10) . .
N2 C15 C16' 111.6(6) . .
C16 C15 H15A 106.8 . .
N2 C15 H15A 106.8 . .
C16' C15 H15A 115.6 . .
C16 C15 H15B 106.8 . .
N2 C15 H15B 106.8 . .
C16' C15 H15B 109.0 . .
H15A C15 H15B 106.6 . .
N2 C22 C23 110.6(6) . .
N2 C22 H22A 109.5 . .
C23 C22 H22A 109.5 . .
N2 C22 H22B 109.5 . .
C23 C22 H22B 109.5 . .
H22A C22 H22B 108.1 . .
O4 C23 C22 108.1(6) . .
O4 C23 H23A 110.1 . .
C22 C23 H23A 110.1 . .
O4 C23 H23B 110.1 . .
C22 C23 H23B 110.1 . .
H23A C23 H23B 108.4 . .
O4 C24 C25 123.2(5) . .
O4 C24 C29 117.5(5) . .
C25 C24 C29 119.2(6) . .
C26 C25 C24 120.6(6) . .
C26 C25 H25 119.7 . .
C24 C25 H25 119.7 . .
C27 C26 C25 121.3(6) . .
C27 C26 H26 119.4 . .
C25 C26 H26 119.4 . .
C26 C27 C28 119.1(6) . .
C26 C27 H27 120.5 . .
C28 C27 H27 120.5 . .
C27 C28 C29 121.4(6) . .
C27 C28 H28 119.3 . .
C29 C28 H28 119.3 . .
C28 C29 C24 118.4(6) . .
C28 C29 C30 116.7(5) . .
C24 C29 C30 125.0(6) . .
O5 C30 N3 120.6(6) . .
O5 C30 C29 120.1(6) . .
N3 C30 C29 119.3(6) . .
N3 C31 C32B 117.0(9) . .
N3 C31 H31A 108.0 . .
C32B C31 H31A 108.0 . .
N3 C31 H31B 108.0 . .
C32B C31 H31B 108.0 . .
H31A C31 H31B 107.3 . .
O2 Tb1 O5 79.69(17) . 3_665
O2 Tb1 O16 148.5(2) . .
O5 Tb1 O16 87.05(19) 3_665 .
O2 Tb1 O7 81.44(17) . .
O5 Tb1 O7 82.75(17) 3_665 .
O16 Tb1 O7 125.3(2) . .
O2 Tb1 O13 87.33(17) . .
O5 Tb1 O13 129.15(17) 3_665 .
O16 Tb1 O13 79.1(2) . .
O7 Tb1 O13 143.59(17) . .
O2 Tb1 O12 126.81(17) . .
O5 Tb1 O12 148.42(19) 3_665 .
O16 Tb1 O12 76.8(2) . .
O7 Tb1 O12 84.79(19) . .
O13 Tb1 O12 74.55(19) . .
O2 Tb1 O9 128.08(19) . .
O5 Tb1 O9 74.3(2) 3_665 .
O16 Tb1 O9 73.9(2) . .
O7 Tb1 O9 51.57(18) . .
O13 Tb1 O9 143.14(19) . .
O12 Tb1 O9 75.2(2) . .
O2 Tb1 O10 75.90(16) . .
O5 Tb1 O10 148.43(16) 3_665 .
O16 Tb1 O10 123.85(18) . .
O7 Tb1 O10 74.13(17) . .
O13 Tb1 O10 69.56(17) . .
O12 Tb1 O10 50.93(16) . .
O9 Tb1 O10 105.85(19) . .
O2 Tb1 O15 77.51(17) . .
O5 Tb1 O15 78.32(17) 3_665 .
O16 Tb1 O15 71.8(2) . .
O7 Tb1 O15 153.81(17) . .
O13 Tb1 O15 50.84(16) . .
O12 Tb1 O15 120.42(18) . .
O9 Tb1 O15 136.75(19) . .
O10 Tb1 O15 114.89(18) . .
O2 Tb1 N4 104.27(19) . .
O5 Tb1 N4 75.39(18) 3_665 .
O16 Tb1 N4 99.8(2) . .
O7 Tb1 N4 25.86(18) . .
O13 Tb1 N4 154.94(18) . .
O12 Tb1 N4 80.80(19) . .
O9 Tb1 N4 25.85(18) . .
O10 Tb1 N4 91.48(18) . .
O15 Tb1 N4 152.79(18) . .
O2 Tb1 N6 82.22(16) . .
O5 Tb1 N6 103.67(18) 3_665 .
O16 Tb1 N6 73.3(2) . .
O7 Tb1 N6 161.05(16) . .
O13 Tb1 N6 25.50(16) . .
O12 Tb1 N6 97.44(19) . .
O9 Tb1 N6 147.17(18) . .
O10 Tb1 N6 92.61(18) . .
O15 Tb1 N6 25.35(16) . .
N4 Tb1 N6 173.02(18) . .
C6 N1 C5 124.2(6) . .
C6 N1 H1A 117.9 . .
C5 N1 H1A 117.9 . .
C14 N2 C22 117.6(6) . .
C14 N2 C15 110.6(6) . .
C22 N2 C15 113.7(6) . .
C30 N3 C31 125.0(6) . .
C30 N3 H3A 117.5 . .
C31 N3 H3A 117.5 . .
O8 N4 O9 123.5(7) . .
O8 N4 O7 120.8(8) . .
O9 N4 O7 115.7(6) . .
O8 N4 Tb1 172.8(6) . .
O9 N4 Tb1 59.0(4) . .
O7 N4 Tb1 57.1(3) . .
O11 N5 O12 124.0(7) . .
O11 N5 O10 121.0(7) . .
O12 N5 O10 115.0(6) . .
O11 N5 Tb1 173.4(6) . .
O12 N5 Tb1 57.4(3) . .
O10 N5 Tb1 57.9(3) . .
O14 N6 O15 122.3(7) . .
O14 N6 O13 121.1(7) . .
O15 N6 O13 116.5(6) . .
O14 N6 Tb1 176.3(5) . .
O15 N6 Tb1 60.5(3) . .
O13 N6 Tb1 56.1(3) . .
C12 O3 C13 119.0(6) . .
C24 O4 C23 119.4(5) . .
C30 O5 Tb1 177.6(5) . 3_665
N4 O7 Tb1 97.0(4) . .
N4 O9 Tb1 95.1(4) . .
N5 O10 Tb1 96.5(4) . .
N5 O12 Tb1 97.1(4) . .
N6 O13 Tb1 98.4(4) . .
N6 O15 Tb1 94.2(4) . .
C6 O2 Tb1 170.0(4) . .
C36 O16 Tb1 143.2(7) . .
C36 O16 H16 105.5(14) . .
Tb1 O16 H16 104.4(14) . .
O16 C36 C37 105.5(10) . .
O16 C36 H36A 110.6 . .
C37 C36 H36A 110.6 . .
O16 C36 H36B 110.6 . .
C37 C36 H36B 110.6 . .
H36A C36 H36B 108.8 . .
O16 C36 H37D 170.7 . .
C37 C36 H37D 74.4 . .
H36A C36 H37D 77.7 . .
H36B C36 H37D 61.5 . .
O16 C36 H37F 116.0 . .
C37 C36 H37F 36.9 . .
H36A C36 H37F 74.0 . .
H36B C36 H37F 128.6 . .
H37D C36 H37F 69.7 . .
C36 C37 H37E 107.7 . .
H37A C37 H37E 142.3 . .
H37B C37 H37E 51.0 . .
H37C C37 H37E 62.2 . .
C36 C37 H37F 69.4 . .
H37A C37 H37F 83.0 . .
H37B C37 H37F 60.1 . .
H37C C37 H37F 166.5 . .
H37E C37 H37F 104.9 . .
C37' C36' H36C 110.7 . .
C37' C36' H36D 110.7 . .
H36C C36' H36D 108.8 . .
C36' C37' H37D 89.7 . .
C36' C37' H37E 114.7 . .
H37D C37' H37E 109.5 . .
C36' C37' H37F 121.8 . .
H37D C37' H37F 109.5 . .
H37E C37' H37F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C4 C3 1.341(10) .
C4 O1 1.370(9) .
C4 C5 1.481(10) .
C3 C2 1.423(12) .
C3 H3 0.9300 .
C2 C1 1.295(13) .
C2 H2 0.9300 .
C1 O1 1.361(10) .
C1 H1 0.9300 .
C16 C17 1.3900 .
C16 C21 1.3900 .
C16 C15 1.441(9) .
C17 C18 1.3900 .
C17 H17 0.9300 .
C18 C19 1.3900 .
C18 H18 0.9300 .
C19 C20 1.3900 .
C19 H19 0.9300 .
C20 C21 1.3900 .
C20 H20 0.9300 .
C21 H21 0.9300 .
C16' C17' 1.3899 .
C16' C21' 1.3900 .
C16' C15 1.606(9) .
C17' C18' 1.3898 .
C17' H17' 0.9300 .
C18' C19' 1.3901 .
C18' H18' 0.9300 .
C19' C20' 1.3900 .
C19' H19' 0.9300 .
C20' C21' 1.3899 .
C20' H20' 0.9300 .
C21' H21' 0.9300 .
O6A C32A 1.311(9) .
O6A C35A 1.318(9) .
C35A C34A 1.304(9) .
C35A H35A 0.9300 .
C34A C33A 1.317(9) .
C34A H34A 0.9300 .
C33A C32A 1.294(9) .
C33A H33A 0.9300 .
O6B C32B 1.296(9) .
O6B C35B 1.305(9) .
C35B C34B 1.314(9) .
C35B H35B 0.9300 .
C34B C33B 1.331(9) .
C34B H34B 0.9300 .
C33B C32B 1.314(9) .
C33B H33B 0.9300 .
C32B C31 1.458(15) .
C5 N1 1.450(9) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 O2 1.248(7) .
C6 N1 1.320(8) .
C6 C7 1.504(9) .
C7 C8 1.388(9) .
C7 C12 1.389(9) .
C8 C9 1.383(10) .
C8 H8 0.9300 .
C9 C10 1.356(12) .
C9 H9 0.9300 .
C10 C11 1.354(11) .
C10 H10 0.9300 .
C11 C12 1.431(10) .
C11 H11 0.9300 .
C12 O3 1.348(8) .
C13 O3 1.451(8) .
C13 C14 1.479(10) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 N2 1.451(9) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 N2 1.474(9) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C22 N2 1.455(8) .
C22 C23 1.514(10) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 O4 1.433(8) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 O4 1.367(7) .
C24 C25 1.391(9) .
C24 C29 1.405(8) .
C25 C26 1.370(9) .
C25 H25 0.9300 .
C26 C27 1.370(9) .
C26 H26 0.9300 .
C27 C28 1.379(9) .
C27 H27 0.9300 .
C28 C29 1.403(8) .
C28 H28 0.9300 .
C29 C30 1.488(9) .
C30 O5 1.252(7) .
C30 N3 1.318(8) .
C31 N3 1.455(9) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
Tb1 O2 2.289(4) .
Tb1 O5 2.295(5) 3_665
Tb1 O16 2.330(5) .
Tb1 O7 2.447(5) .
Tb1 O13 2.447(5) .
Tb1 O12 2.479(5) .
Tb1 O9 2.489(5) .
Tb1 O10 2.489(5) .
Tb1 O15 2.544(5) .
Tb1 N4 2.892(7) .
Tb1 N6 2.916(6) .
N1 H1A 0.8600 .
N3 H3A 0.8600 .
N4 O8 1.214(8) .
N4 O9 1.266(8) .
N4 O7 1.271(8) .
N5 O11 1.223(8) .
N5 O12 1.266(8) .
N5 O10 1.266(7) .
N6 O14 1.219(7) .
N6 O15 1.252(7) .
N6 O13 1.269(7) .
O5 Tb1 2.295(5) 3_665
O16 C36 1.419(9) .
O16 H16 0.854(11) .
C36 C37 1.514(10) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
C37 H37E 1.0298 .
C37 H37F 0.9468 .
C36' C37' 1.482(10) .
C36' H36C 0.9700 .
C36' H36D 0.9700 .
C37' H37D 0.9600 .
C37' H37E 0.9600 .
C37' H37F 0.9600 .
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
O1 C4 C3 C2 0.0(9) . .
C5 C4 C3 C2 175.9(8) . .
C4 C3 C2 C1 0.8(10) . .
C3 C2 C1 O1 -1.3(11) . .
C21 C16 C17 C18 0.0 . .
C15 C16 C17 C18 -175.2(8) . .
C16 C17 C18 C19 0.0 . .
C17 C18 C19 C20 0.0 . .
C18 C19 C20 C21 0.0 . .
C19 C20 C21 C16 0.0 . .
C17 C16 C21 C20 0.0 . .
C15 C16 C21 C20 175.3(7) . .
C21' C16' C17' C18' 0.0 . .
C15 C16' C17' C18' 174.6(7) . .
C16' C17' C18' C19' 0.0 . .
C17' C18' C19' C20' 0.0 . .
C18' C19' C20' C21' 0.0 . .
C19' C20' C21' C16' 0.0 . .
C17' C16' C21' C20' 0.0 . .
C15 C16' C21' C20' -174.2(7) . .
C32A O6A C35A C34A -0.1(3) . .
O6A C35A C34A C33A 0.0(3) . .
C35A C34A C33A C32A 0.0(6) . .
C34A C33A C32A O6A 0.0(7) . .
C35A O6A C32A C33A 0.1(6) . .
C32B O6B C35B C34B 0.4(3) . .
O6B C35B C34B C33B 0.2(3) . .
C35B C34B C33B C32B -0.8(6) . .
C35B O6B C32B C33B -0.9(6) . .
C35B O6B C32B C31 179.1(17) . .
C34B C33B C32B O6B 1.1(7) . .
C34B C33B C32B C31 -179(2) . .
C2 C1 O1 C4 1.4(10) . .
C3 C4 O1 C1 -0.8(9) . .
C5 C4 O1 C1 -177.5(7) . .
C3 C4 C5 N1 125.8(9) . .
O1 C4 C5 N1 -58.6(9) . .
O2 C6 C7 C8 -12.7(8) . .
N1 C6 C7 C8 166.5(6) . .
O2 C6 C7 C12 166.8(6) . .
N1 C6 C7 C12 -14.0(9) . .
C12 C7 C8 C9 0.5(10) . .
C6 C7 C8 C9 -180.0(6) . .
C7 C8 C9 C10 -2.1(11) . .
C8 C9 C10 C11 1.9(12) . .
C9 C10 C11 C12 -0.1(12) . .
C8 C7 C12 O3 -179.5(6) . .
C6 C7 C12 O3 1.0(9) . .
C8 C7 C12 C11 1.4(9) . .
C6 C7 C12 C11 -178.2(6) . .
C10 C11 C12 O3 179.3(7) . .
C10 C11 C12 C7 -1.6(10) . .
O3 C13 C14 N2 53.5(9) . .
C17 C16 C15 N2 115.4(7) . .
C21 C16 C15 N2 -59.9(9) . .
C17 C16 C15 C16' 135.3(6) . .
C21 C16 C15 C16' -39.9(2) . .
C17' C16' C15 C16 -51.1(6) . .
C21' C16' C15 C16 123.3(3) . .
C17' C16' C15 N2 110.8(6) . .
C21' C16' C15 N2 -74.8(8) . .
N2 C22 C23 O4 -178.7(6) . .
O4 C24 C25 C26 177.7(6) . .
C29 C24 C25 C26 -1.6(10) . .
C24 C25 C26 C27 0.4(10) . .
C25 C26 C27 C28 0.2(11) . .
C26 C27 C28 C29 0.3(10) . .
C27 C28 C29 C24 -1.5(9) . .
C27 C28 C29 C30 178.1(6) . .
O4 C24 C29 C28 -177.2(6) . .
C25 C24 C29 C28 2.1(9) . .
O4 C24 C29 C30 3.2(9) . .
C25 C24 C29 C30 -177.5(6) . .
C28 C29 C30 O5 11.8(9) . .
C24 C29 C30 O5 -168.7(6) . .
C28 C29 C30 N3 -166.5(6) . .
C24 C29 C30 N3 13.0(10) . .
O6B C32B C31 N3 -115.0(13) . .
C33B C32B C31 N3 65.0(18) . .
O2 C6 N1 C5 -2.5(10) . .
C7 C6 N1 C5 178.3(6) . .
C4 C5 N1 C6 135.6(7) . .
C13 C14 N2 C22 64.9(9) . .
C13 C14 N2 C15 -162.2(7) . .
C23 C22 N2 C14 -92.1(8) . .
C23 C22 N2 C15 136.5(7) . .
C16 C15 N2 C14 -52.3(10) . .
C16' C15 N2 C14 -56.3(8) . .
C16 C15 N2 C22 82.6(9) . .
C16' C15 N2 C22 78.5(8) . .
O5 C30 N3 C31 0.7(11) . .
C29 C30 N3 C31 179.0(7) . .
C32B C31 N3 C30 125.6(11) . .
O2 Tb1 N4 O8 -47(5) . .
O5 Tb1 N4 O8 28(5) 3_665 .
O16 Tb1 N4 O8 113(5) . .
O7 Tb1 N4 O8 -76(5) . .
O13 Tb1 N4 O8 -162(5) . .
O12 Tb1 N4 O8 -173(5) . .
O9 Tb1 N4 O8 112(5) . .
O10 Tb1 N4 O8 -123(5) . .
O15 Tb1 N4 O8 44(5) . .
N6 Tb1 N4 O8 111(5) . .
O2 Tb1 N4 O9 -159.2(4) . .
O5 Tb1 N4 O9 -84.1(5) 3_665 .
O16 Tb1 N4 O9 0.2(5) . .
O7 Tb1 N4 O9 172.1(7) . .
O13 Tb1 N4 O9 85.3(6) . .
O12 Tb1 N4 O9 75.0(5) . .
O10 Tb1 N4 O9 125.0(5) . .
O15 Tb1 N4 O9 -68.8(6) . .
N6 Tb1 N4 O9 -0.9(17) . .
O2 Tb1 N4 O7 28.7(4) . .
O5 Tb1 N4 O7 103.8(4) 3_665 .
O16 Tb1 N4 O7 -171.8(4) . .
O13 Tb1 N4 O7 -86.8(6) . .
O12 Tb1 N4 O7 -97.1(4) . .
O9 Tb1 N4 O7 -172.1(7) . .
O10 Tb1 N4 O7 -47.1(4) . .
O15 Tb1 N4 O7 119.1(5) . .
N6 Tb1 N4 O7 -173.0(13) . .
O2 Tb1 N5 O11 77(5) . .
O5 Tb1 N5 O11 169(5) 3_665 .
O16 Tb1 N5 O11 -79(5) . .
O7 Tb1 N5 O11 156(5) . .
O13 Tb1 N5 O11 -5(5) . .
O12 Tb1 N5 O11 -105(5) . .
O9 Tb1 N5 O11 -153(5) . .
O10 Tb1 N5 O11 82(5) . .
O15 Tb1 N5 O11 -5(5) . .
N4 Tb1 N5 O11 -179(100) . .
N6 Tb1 N5 O11 -6(5) . .
O2 Tb1 N5 O12 -177.9(4) . .
O5 Tb1 N5 O12 -86.3(7) 3_665 .
O16 Tb1 N5 O12 25.6(5) . .
O7 Tb1 N5 O12 -98.8(4) . .
O13 Tb1 N5 O12 99.6(4) . .
O9 Tb1 N5 O12 -48.4(4) . .
O10 Tb1 N5 O12 -172.7(7) . .
O15 Tb1 N5 O12 100.2(5) . .
N4 Tb1 N5 O12 -73.8(4) . .
N6 Tb1 N5 O12 99.3(4) . .
O2 Tb1 N5 O10 -5.2(4) . .
O5 Tb1 N5 O10 86.4(7) 3_665 .
O16 Tb1 N5 O10 -161.7(4) . .
O7 Tb1 N5 O10 73.9(4) . .
O13 Tb1 N5 O10 -87.7(4) . .
O12 Tb1 N5 O10 172.7(7) . .
O9 Tb1 N5 O10 124.3(4) . .
O15 Tb1 N5 O10 -87.1(4) . .
N4 Tb1 N5 O10 98.8(4) . .
N6 Tb1 N5 O10 -88.0(4) . .
O2 Tb1 N6 O14 -144(8) . .
O5 Tb1 N6 O14 139(8) 3_665 .
O16 Tb1 N6 O14 56(8) . .
O7 Tb1 N6 O14 -113(8) . .
O13 Tb1 N6 O14 -44(8) . .
O12 Tb1 N6 O14 -17(8) . .
O9 Tb1 N6 O14 57(8) . .
O10 Tb1 N6 O14 -68(8) . .
O15 Tb1 N6 O14 139(8) . .
N4 Tb1 N6 O14 57(9) . .
O2 Tb1 N6 O15 77.2(4) . .
O5 Tb1 N6 O15 -0.1(4) 3_665 .
O16 Tb1 N6 O15 -82.8(4) . .
O7 Tb1 N6 O15 107.8(6) . .
O13 Tb1 N6 O15 177.4(6) . .
O12 Tb1 N6 O15 -156.5(4) . .
O9 Tb1 N6 O15 -82.3(5) . .
O10 Tb1 N6 O15 152.6(4) . .
N4 Tb1 N6 O15 -81.6(15) . .
O2 Tb1 N6 O13 -100.2(4) . .
O5 Tb1 N6 O13 -177.5(4) 3_665 .
O16 Tb1 N6 O13 99.8(4) . .
O7 Tb1 N6 O13 -69.6(7) . .
O12 Tb1 N6 O13 26.1(4) . .
O9 Tb1 N6 O13 100.3(5) . .
O10 Tb1 N6 O13 -24.8(4) . .
O15 Tb1 N6 O13 -177.4(6) . .
N4 Tb1 N6 O13 101.0(15) . .
C7 C12 O3 C13 164.2(6) . .
C11 C12 O3 C13 -16.7(9) . .
C14 C13 O3 C12 -152.6(6) . .
C25 C24 O4 C23 -1.6(10) . .
C29 C24 O4 C23 177.6(6) . .
C22 C23 O4 C24 -163.5(6) . .
N3 C30 O5 Tb1 -171(12) . 3_665
C29 C30 O5 Tb1 11(13) . 3_665
O8 N4 O7 Tb1 171.9(7) . .
O9 N4 O7 Tb1 -7.5(7) . .
O2 Tb1 O7 N4 -151.9(4) . .
O5 Tb1 O7 N4 -71.3(4) 3_665 .
O16 Tb1 O7 N4 9.9(5) . .
O13 Tb1 O7 N4 134.6(4) . .
O12 Tb1 O7 N4 79.6(4) . .
O9 Tb1 O7 N4 4.4(4) . .
O10 Tb1 O7 N4 130.4(4) . .
O15 Tb1 O7 N4 -115.2(5) . .
N6 Tb1 O7 N4 177.4(5) . .
O8 N4 O9 Tb1 -172.1(7) . .
O7 N4 O9 Tb1 7.4(7) . .
O2 Tb1 O9 N4 25.9(6) . .
O5 Tb1 O9 N4 88.8(5) 3_665 .
O16 Tb1 O9 N4 -179.8(5) . .
O7 Tb1 O9 N4 -4.4(4) . .
O13 Tb1 O9 N4 -135.3(4) . .
O12 Tb1 O9 N4 -99.5(5) . .
O10 Tb1 O9 N4 -58.4(5) . .
O15 Tb1 O9 N4 141.5(4) . .
N6 Tb1 O9 N4 179.8(4) . .
O11 N5 O10 Tb1 -172.4(6) . .
O12 N5 O10 Tb1 6.8(6) . .
O2 Tb1 O10 N5 174.7(4) . .
O5 Tb1 O10 N5 -144.8(4) 3_665 .
O16 Tb1 O10 N5 21.9(5) . .
O7 Tb1 O10 N5 -100.3(4) . .
O13 Tb1 O10 N5 82.3(4) . .
O12 Tb1 O10 N5 -4.1(4) . .
O9 Tb1 O10 N5 -59.1(4) . .
O15 Tb1 O10 N5 106.0(4) . .
N4 Tb1 O10 N5 -80.9(4) . .
N6 Tb1 O10 N5 93.4(4) . .
O11 N5 O12 Tb1 172.3(7) . .
O10 N5 O12 Tb1 -6.8(6) . .
O2 Tb1 O12 N5 2.6(5) . .
O5 Tb1 O12 N5 144.8(4) 3_665 .
O16 Tb1 O12 N5 -154.0(5) . .
O7 Tb1 O12 N5 77.8(4) . .
O13 Tb1 O12 N5 -71.9(4) . .
O9 Tb1 O12 N5 129.4(5) . .
O10 Tb1 O12 N5 4.1(4) . .
O15 Tb1 O12 N5 -94.7(4) . .
N4 Tb1 O12 N5 103.6(4) . .
N6 Tb1 O12 N5 -83.3(4) . .
O14 N6 O13 Tb1 177.0(6) . .
O15 N6 O13 Tb1 -2.5(6) . .
O2 Tb1 O13 N6 77.5(4) . .
O5 Tb1 O13 N6 3.1(5) 3_665 .
O16 Tb1 O13 N6 -73.9(4) . .
O7 Tb1 O13 N6 149.2(4) . .
O12 Tb1 O13 N6 -153.1(4) . .
O9 Tb1 O13 N6 -117.2(4) . .
O10 Tb1 O13 N6 153.4(4) . .
O15 Tb1 O13 N6 1.4(3) . .
N4 Tb1 O13 N6 -163.6(4) . .
O14 N6 O15 Tb1 -177.1(6) . .
O13 N6 O15 Tb1 2.4(6) . .
O2 Tb1 O15 N6 -98.3(4) . .
O5 Tb1 O15 N6 179.9(4) 3_665 .
O16 Tb1 O15 N6 89.1(4) . .
O7 Tb1 O15 N6 -135.5(4) . .
O13 Tb1 O15 N6 -1.4(3) . .
O12 Tb1 O15 N6 27.3(4) . .
O9 Tb1 O15 N6 128.4(4) . .
O10 Tb1 O15 N6 -30.5(4) . .
N4 Tb1 O15 N6 164.8(4) . .
N1 C6 O2 Tb1 -95(2) . .
C7 C6 O2 Tb1 84(3) . .
O5 Tb1 O2 C6 -30(2) 3_665 .
O16 Tb1 O2 C6 -97(2) . .
O7 Tb1 O2 C6 54(2) . .
O13 Tb1 O2 C6 -161(2) . .
O12 Tb1 O2 C6 131(2) . .
O9 Tb1 O2 C6 30(3) . .
O10 Tb1 O2 C6 130(2) . .
O15 Tb1 O2 C6 -110(2) . .
N4 Tb1 O2 C6 42(2) . .
N6 Tb1 O2 C6 -136(2) . .
O2 Tb1 O16 C36 -161.2(14) . .
O5 Tb1 O16 C36 134.1(14) 3_665 .
O7 Tb1 O16 C36 55.1(15) . .
O13 Tb1 O16 C36 -95.1(14) . .
O12 Tb1 O16 C36 -18.6(14) . .
O9 Tb1 O16 C36 59.6(14) . .
O10 Tb1 O16 C36 -39.0(15) . .
O15 Tb1 O16 C36 -147.2(14) . .
N4 Tb1 O16 C36 59.5(14) . .
N6 Tb1 O16 C36 -120.7(14) . .
Tb1 O16 C36 C37 162.6(10) . .
