#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:21:52 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179057 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/19/4301946.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_4301946
loop_
_publ_author_name
'Yanling Guo'
'Wei Dou'
'Xiaoyan Zhou'
'Weisheng Liu'
'Wenwu Qin'
'Zhipeng Zang'
'Hongrui Zhang'
'Daqi Wang'
_publ_contact_author_address
; Department of Chemistry and State Key Laboratory 
  of Applied Organic Chemistry, 
  Lanzhou University, Lanzhou 210093, China 
  State Key Laboratory of Coordination Chemistry,
  Nanjing University, Nanjing 210093, China
;
_publ_contact_author_email       ' liuws@lzu.edu.cn '
_publ_contact_author_fax         ' +86-931-8912582 '
_publ_contact_author_name        'Weisheng Liu'
_publ_contact_author_phone       ' +86-931-8915151 '
_publ_section_title
;
Influence of Conformational Flexibility on Self-Assembly and Luminescence
Properties of Lanthanide Coordination Polymers with Flexibleexo-Bidentate
Biphenol Derivatives
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3581
_journal_page_last               3590
_journal_paper_doi               10.1021/ic802060e
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C47 H48 Br2 N5 O17 Tb'
_chemical_formula_weight         1273.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.912(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.7677(13)
_cell_length_b                   21.930(3)
_cell_length_c                   18.609(2)
_cell_measurement_reflns_used    1952
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.037
_cell_measurement_theta_min      2.108
_cell_volume                     5203.7(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.947
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.2294
_diffrn_reflns_av_sigmaI/netI    0.3351
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21510
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    2.969
_exptl_absorpt_correction_T_max  0.8905
_exptl_absorpt_correction_T_min  0.5484
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2544
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.163
_refine_diff_density_min         -1.115
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     647
_refine_ls_number_reflns         8675
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.2683
_refine_ls_R_factor_gt           0.0947
_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)+(0.0024P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1924
_refine_ls_wR_factor_ref         0.2113
_reflns_number_gt                2166
_reflns_number_total             8675
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic802060e_si_001_4.cif
_cod_data_source_block           '[4]'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        5203.6(10)
_cod_database_code               4301946
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
C39 C 0.7606(15) 0.4849(14) 0.2844(9) 0.111(8) Uani 1 1 d G . .
C40 C 0.7696(17) 0.5475(13) 0.2744(8) 0.121(9) Uani 1 1 d G . .
H40 H 0.7097 0.5713 0.2675 0.145 Uiso 1 1 calc R . .
C41 C 0.868(3) 0.5744(7) 0.2746(8) 0.139(10) Uani 1 1 d G . .
H41 H 0.8742 0.6163 0.2679 0.167 Uiso 1 1 calc R . .
C42 C 0.9578(15) 0.5388(15) 0.2848(9) 0.137(11) Uani 1 1 d G . .
H42 H 1.0237 0.5568 0.2849 0.165 Uiso 1 1 calc R . .
C43 C 0.9488(18) 0.4763(14) 0.2948(9) 0.148(11) Uani 1 1 d G . .
H43 H 1.0087 0.4524 0.3017 0.177 Uiso 1 1 calc R . .
C44 C 0.850(3) 0.4493(7) 0.2946(8) 0.132(9) Uani 1 1 d G . .
H44 H 0.8442 0.4075 0.3013 0.159 Uiso 1 1 calc R . .
Tb1 Tb 0.38248(8) 0.38961(5) 0.37833(6) 0.0875(5) Uani 1 1 d . . .
Br1 Br 1.05822(19) 0.00053(13) 0.34706(16) 0.1290(10) Uani 1 1 d . . .
Br2 Br 0.4278(2) 0.16320(14) 0.38581(16) 0.1457(12) Uani 1 1 d . . .
N1 N 0.630(2) 0.2938(9) 0.4854(12) 0.135(8) Uani 1 1 d . . .
H1 H 0.6664 0.2698 0.5132 0.162 Uiso 1 1 calc R . .
N2 N 0.6440(14) 0.4058(9) 0.2429(10) 0.097(6) Uani 1 1 d . . .
H2 H 0.6862 0.4014 0.2087 0.116 Uiso 1 1 calc R . .
N3 N 0.4896(18) 0.5039(12) 0.3970(13) 0.096(7) Uani 1 1 d . . .
N4 N 0.2598(19) 0.2858(13) 0.3810(16) 0.133(9) Uani 1 1 d . . .
N5 N 0.2338(19) 0.4324(10) 0.2711(15) 0.119(7) Uani 1 1 d . . .
O1 O 0.7607(13) 0.1222(8) 0.5395(11) 0.108(5) Uani 1 1 d . . .
O2 O 0.8032(13) 0.4457(9) 0.0627(8) 0.107(5) Uani 1 1 d . . .
O3 O 0.4757(12) 0.3305(7) 0.4568(10) 0.108(6) Uani 1 1 d . . .
O4 O 0.6462(15) 0.2193(8) 0.5919(8) 0.111(5) Uani 1 1 d . . .
O5 O 0.5117(11) 0.3672(6) 0.3000(8) 0.093(5) Uani 1 1 d . . .
O6 O 0.6936(13) 0.3489(6) 0.1234(8) 0.097(5) Uani 1 1 d . . .
O7 O 0.5175(12) 0.4615(8) 0.4282(9) 0.095(5) Uani 1 1 d . . .
O8 O 0.4082(12) 0.5005(7) 0.3537(9) 0.106(5) Uani 1 1 d . . .
O9 O 0.5332(13) 0.5533(8) 0.4027(8) 0.106(5) Uani 1 1 d . . .
O10 O 0.3164(12) 0.2973(8) 0.3343(9) 0.118(6) Uani 1 1 d . . .
O11 O 0.2526(12) 0.3205(8) 0.4315(10) 0.117(6) Uani 1 1 d . . .
O12 O 0.2089(14) 0.2350(9) 0.3840(12) 0.158(8) Uani 1 1 d . . .
O13 O 0.3202(13) 0.4115(7) 0.2556(9) 0.125(6) Uani 1 1 d . . .
O14 O 0.2143(12) 0.4324(8) 0.3381(11) 0.136(7) Uani 1 1 d . . .
O15 O 0.1709(15) 0.4514(10) 0.2241(12) 0.174(9) Uani 1 1 d . . .
O16 O 0.3212(11) 0.4364(7) 0.4838(8) 0.116(5) Uani 1 1 d . A .
H16 H 0.3482 0.4272 0.5251 0.174 Uiso 1 1 d R . .
O17 O 0.318(2) 0.6167(13) 0.2951(17) 0.250(12) Uani 1 1 d . . .
H17 H 0.3670 0.5951 0.3096 0.374 Uiso 1 1 calc R . .
C1 C 0.829(3) 0.0959(14) 0.4963(18) 0.109(8) Uani 1 1 d . . .
C2 C 0.940(3) 0.1049(11) 0.5071(14) 0.118(8) Uani 1 1 d . . .
H2A H 0.9667 0.1303 0.5436 0.141 Uiso 1 1 calc R . .
C3 C 1.007(2) 0.0752(12) 0.4623(17) 0.104(8) Uani 1 1 d . . .
H3 H 1.0786 0.0806 0.4691 0.125 Uiso 1 1 calc R . .
C4 C 0.967(2) 0.0366(11) 0.4058(14) 0.102(8) Uani 1 1 d . . .
C5 C 0.861(3) 0.0294(10) 0.3992(14) 0.104(8) Uani 1 1 d . . .
H5 H 0.8333 0.0038 0.3631 0.125 Uiso 1 1 calc R . .
C6 C 0.792(2) 0.0581(13) 0.4429(17) 0.101(8) Uani 1 1 d . . .
C7 C 0.675(2) 0.0509(15) 0.4328(12) 0.092(7) Uani 1 1 d . . .
C8 C 0.636(3) -0.0064(16) 0.4237(13) 0.103(8) Uani 1 1 d . . .
C9 C 0.530(3) -0.0143(12) 0.4113(13) 0.113(8) Uani 1 1 d . . .
H9 H 0.5007 -0.0532 0.4126 0.135 Uiso 1 1 calc R . .
C10 C 0.463(2) 0.0387(16) 0.3961(12) 0.114(8) Uani 1 1 d . . .
H10 H 0.3926 0.0348 0.3809 0.136 Uiso 1 1 calc R . .
C11 C 0.511(3) 0.0957(12) 0.4058(13) 0.108(8) Uani 1 1 d . . .
C12 C 0.611(3) 0.0986(12) 0.4218(11) 0.097(7) Uani 1 1 d . . .
H12 H 0.6411 0.1372 0.4258 0.117 Uiso 1 1 calc R . .
C13 C 0.798(2) 0.1604(11) 0.5998(16) 0.116(8) Uani 1 1 d . . .
H13A H 0.8473 0.1377 0.6308 0.139 Uiso 1 1 calc R . .
H13B H 0.8337 0.1960 0.5820 0.139 Uiso 1 1 calc R . .
C14 C 0.710(2) 0.1793(11) 0.6401(13) 0.116(8) Uani 1 1 d . . .
H14A H 0.7346 0.2012 0.6831 0.139 Uiso 1 1 calc R . .
H14B H 0.6701 0.1442 0.6543 0.139 Uiso 1 1 calc R . .
C15 C 0.534(3) 0.3055(13) 0.5007(17) 0.109(9) Uani 1 1 d . . .
C16 C 0.496(3) 0.2820(13) 0.5689(16) 0.104(8) Uani 1 1 d . . .
C17 C 0.552(3) 0.2404(13) 0.6112(19) 0.110(8) Uani 1 1 d . . .
C18 C 0.517(3) 0.2210(12) 0.6778(18) 0.118(8) Uani 1 1 d . . .
H18 H 0.5562 0.1954 0.7087 0.141 Uiso 1 1 calc R . .
C19 C 0.420(3) 0.2435(13) 0.6930(15) 0.115(9) Uani 1 1 d . . .
H19 H 0.3919 0.2294 0.7350 0.138 Uiso 1 1 calc R . .
C20 C 0.359(2) 0.2860(13) 0.6515(17) 0.112(8) Uani 1 1 d . . .
H20 H 0.2936 0.3000 0.6649 0.134 Uiso 1 1 calc R . .
C21 C 0.404(2) 0.3043(11) 0.5898(16) 0.104(8) Uani 1 1 d . . .
H21 H 0.3692 0.3334 0.5609 0.125 Uiso 1 1 calc R . .
C22 C 0.675(2) 0.3184(12) 0.4259(16) 0.145(10) Uani 1 1 d . . .
H22A H 0.6873 0.3615 0.4346 0.174 Uiso 1 1 calc R . .
H22B H 0.6257 0.3149 0.3848 0.174 Uiso 1 1 calc R . .
C23 C 0.775(3) 0.290(2) 0.407(2) 0.137(12) Uani 1 1 d . . .
C24 C 0.871(4) 0.3158(17) 0.4267(16) 0.163(13) Uani 1 1 d . . .
H24 H 0.8749 0.3539 0.4486 0.195 Uiso 1 1 calc R . .
C25 C 0.961(3) 0.283(2) 0.4130(19) 0.158(13) Uani 1 1 d . . .
H25 H 1.0264 0.2996 0.4249 0.190 Uiso 1 1 calc R . .
C26 C 0.952(3) 0.227(2) 0.3821(19) 0.147(12) Uani 1 1 d . . .
H26 H 1.0130 0.2046 0.3748 0.177 Uiso 1 1 calc R . .
C27 C 0.857(4) 0.2011(17) 0.3612(16) 0.153(12) Uani 1 1 d . . .
H27 H 0.8526 0.1629 0.3398 0.183 Uiso 1 1 calc R . .
C28 C 0.768(3) 0.235(2) 0.373(2) 0.151(13) Uani 1 1 d . . .
H28 H 0.7020 0.2192 0.3586 0.181 Uiso 1 1 calc R . .
C29 C 0.8390(17) 0.3858(11) 0.0734(12) 0.098(7) Uani 1 1 d . . .
H29A H 0.8697 0.3817 0.1219 0.117 Uiso 1 1 calc R . .
H29B H 0.8932 0.3771 0.0401 0.117 Uiso 1 1 calc R . .
C30 C 0.757(2) 0.3435(10) 0.0628(13) 0.105(8) Uani 1 1 d . . .
H30A H 0.7847 0.3025 0.0596 0.126 Uiso 1 1 calc R . .
H30B H 0.7161 0.3526 0.0187 0.126 Uiso 1 1 calc R . .
C31 C 0.573(2) 0.3642(12) 0.2491(16) 0.097(8) Uani 1 1 d . . .
C32 C 0.562(2) 0.3130(12) 0.1954(16) 0.097(7) Uani 1 1 d . . .
C33 C 0.621(2) 0.3078(12) 0.1367(16) 0.096(7) Uani 1 1 d . . .
C34 C 0.600(2) 0.2577(12) 0.0927(13) 0.099(7) Uani 1 1 d . . .
H34 H 0.6350 0.2538 0.0505 0.119 Uiso 1 1 calc R . .
C35 C 0.530(2) 0.2146(12) 0.1089(16) 0.110(8) Uani 1 1 d . . .
H35 H 0.5195 0.1815 0.0781 0.132 Uiso 1 1 calc R . .
C36 C 0.472(2) 0.2180(12) 0.1697(18) 0.121(9) Uani 1 1 d . . .
H36 H 0.4208 0.1897 0.1804 0.146 Uiso 1 1 calc R . .
C37 C 0.499(2) 0.2702(13) 0.2155(13) 0.106(8) Uani 1 1 d . . .
H37 H 0.4712 0.2730 0.2605 0.127 Uiso 1 1 calc R . .
C38 C 0.6582(16) 0.4571(11) 0.2868(12) 0.101(7) Uani 1 1 d . . .
H38A H 0.6467 0.4455 0.3361 0.121 Uiso 1 1 calc R . .
H38B H 0.6055 0.4872 0.2725 0.121 Uiso 1 1 calc R . .
C45 C 0.222(3) 0.458(2) 0.5064(18) 0.178(13) Uani 1 1 d . . .
H45A H 0.2316 0.4597 0.5584 0.214 Uiso 0.60(6) 1 calc PR A 1
H45B H 0.1754 0.4232 0.4970 0.214 Uiso 0.60(6) 1 calc PR A 1
H45C H 0.2005 0.4881 0.4702 0.214 Uiso 0.40(6) 1 d PR A 2
H45D H 0.2370 0.4799 0.5516 0.214 Uiso 0.40(6) 1 d PR A 2
C46 C 0.154(4) 0.513(3) 0.487(3) 0.17(3) Uani 0.60(6) 1 d P A 1
H46A H 0.1951 0.5494 0.4927 0.251 Uiso 0.60(6) 1 calc PR A 1
H46B H 0.0962 0.5148 0.5182 0.251 Uiso 0.60(6) 1 calc PR A 1
H46C H 0.1272 0.5097 0.4380 0.251 Uiso 0.60(6) 1 calc PR A 1
C46' C 0.118(8) 0.427(4) 0.521(4) 0.17(5) Uani 0.40(6) 1 d P A 2
H46D H 0.1158 0.3872 0.4999 0.251 Uiso 0.40(6) 1 calc PR A 2
H46E H 0.0613 0.4512 0.4998 0.251 Uiso 0.40(6) 1 calc PR A 2
H46F H 0.1105 0.4241 0.5718 0.251 Uiso 0.40(6) 1 calc PR A 2
C47 C 0.255(3) 0.6332(18) 0.355(2) 0.25(2) Uani 1 1 d . . .
H47A H 0.2887 0.6187 0.3991 0.374 Uiso 1 1 calc R . .
H47B H 0.1868 0.6152 0.3487 0.374 Uiso 1 1 calc R . .
H47C H 0.2484 0.6768 0.3571 0.374 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'
Br Br -0.2901 2.4595 '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
_geom_angle_publ_flag
C40 C39 C44 120.0 . . ?
C40 C39 C38 120(3) . . ?
C44 C39 C38 120(3) . . ?
C41 C40 C39 120.0 . . ?
C41 C40 H40 120.0 . . ?
C39 C40 H40 120.0 . . ?
C40 C41 C42 120.0 . . ?
C40 C41 H41 120.0 . . ?
C42 C41 H41 120.0 . . ?
C43 C42 C41 120.0 . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C43 C44 120.0 . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C43 C44 C39 120.0 . . ?
C43 C44 H44 120.0 . . ?
C39 C44 H44 120.0 . . ?
O3 Tb1 O5 85.2(5) . . ?
O3 Tb1 O10 84.1(6) . . ?
O5 Tb1 O10 81.4(5) . . ?
O3 Tb1 O16 84.2(5) . . ?
O5 Tb1 O16 152.5(5) . . ?
O10 Tb1 O16 122.5(5) . . ?
O3 Tb1 O14 148.7(6) . . ?
O5 Tb1 O14 122.5(6) . . ?
O10 Tb1 O14 85.9(6) . . ?
O16 Tb1 O14 76.4(6) . . ?
O3 Tb1 O13 149.6(6) . . ?
O5 Tb1 O13 70.1(5) . . ?
O10 Tb1 O13 75.2(6) . . ?
O16 Tb1 O13 125.7(6) . . ?
O14 Tb1 O13 52.4(5) . . ?
O3 Tb1 O7 77.8(6) . . ?
O5 Tb1 O7 82.3(4) . . ?
O10 Tb1 O7 156.5(5) . . ?
O16 Tb1 O7 70.7(5) . . ?
O14 Tb1 O7 117.2(6) . . ?
O13 Tb1 O7 114.5(5) . . ?
O3 Tb1 O11 74.5(5) . . ?
O5 Tb1 O11 129.3(5) . . ?
O10 Tb1 O11 51.2(5) . . ?
O16 Tb1 O11 71.4(5) . . ?
O14 Tb1 O11 76.2(6) . . ?
O13 Tb1 O11 107.5(6) . . ?
O7 Tb1 O11 134.6(5) . . ?
O3 Tb1 O8 127.6(6) . . ?
O5 Tb1 O8 89.2(5) . . ?
O10 Tb1 O8 146.2(6) . . ?
O16 Tb1 O8 77.5(5) . . ?
O14 Tb1 O8 71.9(6) . . ?
O13 Tb1 O8 71.0(6) . . ?
O7 Tb1 O8 49.9(5) . . ?
O11 Tb1 O8 139.6(5) . . ?
C15 N1 C22 123(2) . . ?
C15 N1 H1 118.7 . . ?
C22 N1 H1 118.7 . . ?
C31 N2 C38 126(2) . . ?
C31 N2 H2 117.0 . . ?
C38 N2 H2 117.0 . . ?
O7 N3 O9 123(3) . . ?
O7 N3 O8 119(3) . . ?
O9 N3 O8 117(3) . . ?
O10 N4 O11 121(3) . . ?
O10 N4 O12 123(3) . . ?
O11 N4 O12 117(3) . . ?
O15 N5 O13 121(3) . . ?
O15 N5 O14 123(2) . . ?
O13 N5 O14 116(2) . . ?
C1 O1 C13 120(2) . . ?
C8 O2 C29 122(2) 2_655 . ?
C15 O3 Tb1 171(2) . . ?
C17 O4 C14 121(2) . . ?
C31 O5 Tb1 167.5(15) . . ?
C33 O6 C30 121(2) . . ?
N3 O7 Tb1 97.7(19) . . ?
N3 O8 Tb1 93.0(16) . . ?
N4 O10 Tb1 98.6(18) . . ?
N4 O11 Tb1 89.7(18) . . ?
N5 O13 Tb1 96.2(16) . . ?
N5 O14 Tb1 95.0(14) . . ?
C45 O16 Tb1 135.6(15) . . ?
C45 O16 H16 97.8 . . ?
Tb1 O16 H16 120.4 . . ?
C47 O17 H17 109.5 . . ?
O1 C1 C6 119(3) . . ?
O1 C1 C2 122(3) . . ?
C6 C1 C2 119(3) . . ?
C3 C2 C1 119(3) . . ?
C3 C2 H2A 120.6 . . ?
C1 C2 H2A 120.6 . . ?
C2 C3 C4 121(2) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
C5 C4 C3 117(3) . . ?
C5 C4 Br1 124(3) . . ?
C3 C4 Br1 119(2) . . ?
C4 C5 C6 123(3) . . ?
C4 C5 H5 118.3 . . ?
C6 C5 H5 118.3 . . ?
C1 C6 C5 120(3) . . ?
C1 C6 C7 117(3) . . ?
C5 C6 C7 122(3) . . ?
C12 C7 C8 119(3) . . ?
C12 C7 C6 122(3) . . ?
C8 C7 C6 118(3) . . ?
O2 C8 C7 120(3) 2_645 . ?
O2 C8 C9 120(3) 2_645 . ?
C7 C8 C9 120(3) . . ?
C8 C9 C10 120(3) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
C11 C10 C9 116(3) . . ?
C11 C10 H10 122.0 . . ?
C9 C10 H10 122.0 . . ?
C12 C11 C10 119(3) . . ?
C12 C11 Br2 124(3) . . ?
C10 C11 Br2 117(3) . . ?
C11 C12 C7 126(3) . . ?
C11 C12 H12 117.2 . . ?
C7 C12 H12 117.2 . . ?
C14 C13 O1 110(2) . . ?
C14 C13 H13A 109.8 . . ?
O1 C13 H13A 109.8 . . ?
C14 C13 H13B 109.8 . . ?
O1 C13 H13B 109.8 . . ?
H13A C13 H13B 108.2 . . ?
C13 C14 O4 106(2) . . ?
C13 C14 H14A 110.5 . . ?
O4 C14 H14A 110.5 . . ?
C13 C14 H14B 110.5 . . ?
O4 C14 H14B 110.5 . . ?
H14A C14 H14B 108.7 . . ?
O3 C15 N1 120(3) . . ?
O3 C15 C16 122(3) . . ?
N1 C15 C16 118(3) . . ?
C21 C16 C17 120(3) . . ?
C21 C16 C15 117(3) . . ?
C17 C16 C15 123(3) . . ?
O4 C17 C16 121(3) . . ?
O4 C17 C18 117(3) . . ?
C16 C17 C18 122(3) . . ?
C19 C18 C17 114(3) . . ?
C19 C18 H18 123.2 . . ?
C17 C18 H18 123.2 . . ?
C18 C19 C20 127(3) . . ?
C18 C19 H19 116.5 . . ?
C20 C19 H19 116.5 . . ?
C21 C20 C19 114(3) . . ?
C21 C20 H20 123.1 . . ?
C19 C20 H20 123.1 . . ?
C16 C21 C20 123(3) . . ?
C16 C21 H21 118.5 . . ?
C20 C21 H21 118.5 . . ?
N1 C22 C23 115(2) . . ?
N1 C22 H22A 108.4 . . ?
C23 C22 H22A 108.4 . . ?
N1 C22 H22B 108.4 . . ?
C23 C22 H22B 108.4 . . ?
H22A C22 H22B 107.5 . . ?
C28 C23 C24 121(4) . . ?
C28 C23 C22 116(4) . . ?
C24 C23 C22 122(5) . . ?
C23 C24 C25 118(4) . . ?
C23 C24 H24 120.9 . . ?
C25 C24 H24 120.9 . . ?
C26 C25 C24 120(4) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C25 C26 C27 122(4) . . ?
C25 C26 H26 118.8 . . ?
C27 C26 H26 118.8 . . ?
C26 C27 C28 118(4) . . ?
C26 C27 H27 121.2 . . ?
C28 C27 H27 121.2 . . ?
C23 C28 C27 120(4) . . ?
C23 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
O2 C29 C30 111.3(19) . . ?
O2 C29 H29A 109.4 . . ?
C30 C29 H29A 109.4 . . ?
O2 C29 H29B 109.4 . . ?
C30 C29 H29B 109.4 . . ?
H29A C29 H29B 108.0 . . ?
C29 C30 O6 106(2) . . ?
C29 C30 H30A 110.4 . . ?
O6 C30 H30A 110.4 . . ?
C29 C30 H30B 110.4 . . ?
O6 C30 H30B 110.4 . . ?
H30A C30 H30B 108.6 . . ?
O5 C31 N2 120(3) . . ?
O5 C31 C32 120(3) . . ?
N2 C31 C32 121(3) . . ?
C37 C32 C33 123(3) . . ?
C37 C32 C31 113(3) . . ?
C33 C32 C31 124(3) . . ?
O6 C33 C32 121(3) . . ?
O6 C33 C34 123(3) . . ?
C32 C33 C34 116(3) . . ?
C35 C34 C33 122(3) . . ?
C35 C34 H34 118.8 . . ?
C33 C34 H34 118.8 . . ?
C34 C35 C36 122(3) . . ?
C34 C35 H35 118.9 . . ?
C36 C35 H35 118.9 . . ?
C35 C36 C37 113(2) . . ?
C35 C36 H36 123.3 . . ?
C37 C36 H36 123.3 . . ?
C32 C37 C36 122(3) . . ?
C32 C37 H37 119.0 . . ?
C36 C37 H37 119.0 . . ?
N2 C38 C39 114.4(19) . . ?
N2 C38 H38A 108.7 . . ?
C39 C38 H38A 108.7 . . ?
N2 C38 H38B 108.7 . . ?
C39 C38 H38B 108.7 . . ?
H38A C38 H38B 107.6 . . ?
O16 C45 C46' 135(4) . . ?
O16 C45 C46 134(4) . . ?
C46' C45 C46 84(4) . . ?
O16 C45 H45A 103.8 . . ?
C46' C45 H45A 85.1 . . ?
C46 C45 H45A 103.8 . . ?
O16 C45 H45B 103.8 . . ?
C46' C45 H45B 32.9 . . ?
C46 C45 H45B 103.8 . . ?
H45A C45 H45B 105.4 . . ?
O16 C45 H45C 103.8 . . ?
C46' C45 H45C 101.8 . . ?
C46 C45 H45C 32.5 . . ?
H45A C45 H45C 132.0 . . ?
H45B C45 H45C 105.0 . . ?
O16 C45 H45D 106.0 . . ?
C46' C45 H45D 101.7 . . ?
C46 C45 H45D 83.6 . . ?
H45A C45 H45D 27.6 . . ?
H45B C45 H45D 129.3 . . ?
H45C C45 H45D 106.4 . . ?
C45 C46 H45C 36.9 . . ?
C45 C46 H46A 109.5 . . ?
H45C C46 H46A 100.2 . . ?
C45 C46 H46B 109.5 . . ?
H45C C46 H46B 142.7 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H45C C46 H46C 80.0 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C46' H46D 109.5 . . ?
C45 C46' H46E 109.5 . . ?
H46D C46' H46E 109.5 . . ?
C45 C46' H46F 109.5 . . ?
H46D C46' H46F 109.5 . . ?
H46E C46' H46F 109.5 . . ?
O17 C47 H47A 109.5 . . ?
O17 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
O17 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C39 C40 1.3900 . ?
C39 C44 1.3900 . ?
C39 C38 1.45(2) . ?
C40 C41 1.3900 . ?
C40 H40 0.9300 . ?
C41 C42 1.3900 . ?
C41 H41 0.9300 . ?
C42 C43 1.3900 . ?
C42 H42 0.9300 . ?
C43 C44 1.3900 . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
Tb1 O3 2.249(19) . ?
Tb1 O5 2.309(16) . ?
Tb1 O10 2.326(16) . ?
Tb1 O16 2.382(13) . ?
Tb1 O14 2.427(16) . ?
Tb1 O13 2.428(17) . ?
Tb1 O7 2.481(17) . ?
Tb1 O11 2.489(16) . ?
Tb1 O8 2.499(16) . ?
Br1 C4 1.82(3) . ?
Br2 C11 1.85(3) . ?
N1 C15 1.30(3) . ?
N1 C22 1.39(3) . ?
N1 H1 0.8600 . ?
N2 C31 1.29(2) . ?
N2 C38 1.40(2) . ?
N2 H2 0.8600 . ?
N3 O7 1.14(2) . ?
N3 O9 1.22(2) . ?
N3 O8 1.29(2) . ?
N4 O10 1.18(2) . ?
N4 O11 1.22(2) . ?
N4 O12 1.29(3) . ?
N5 O15 1.23(2) . ?
N5 O13 1.24(2) . ?
N5 O14 1.28(2) . ?
O1 C1 1.35(3) . ?
O1 C13 1.46(3) . ?
O2 C8 1.33(3) 2_655 ?
O2 C29 1.40(2) . ?
O3 C15 1.21(3) . ?
O4 C17 1.36(3) . ?
O4 C14 1.47(2) . ?
O5 C31 1.26(2) . ?
O6 C33 1.33(2) . ?
O6 C30 1.43(2) . ?
O16 C45 1.43(3) . ?
O16 H16 0.8513 . ?
O17 C47 1.45(4) . ?
O17 H17 0.8200 . ?
C1 C6 1.36(3) . ?
C1 C2 1.43(3) . ?
C2 C3 1.38(3) . ?
C2 H2A 0.9300 . ?
C3 C4 1.42(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.36(3) . ?
C5 C6 1.38(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.51(3) . ?
C7 C12 1.34(3) . ?
C7 C8 1.36(3) . ?
C8 O2 1.33(3) 2_645 ?
C8 C9 1.37(3) . ?
C9 C10 1.46(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.40(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.31(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.44(3) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.47(3) . ?
C16 C21 1.35(3) . ?
C16 C17 1.38(3) . ?
C17 C18 1.40(3) . ?
C18 C19 1.38(3) . ?
C18 H18 0.9300 . ?
C19 C20 1.42(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.37(3) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C23 1.47(4) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C28 1.38(4) . ?
C23 C24 1.38(4) . ?
C24 C25 1.39(4) . ?
C24 H24 0.9300 . ?
C25 C26 1.37(4) . ?
C25 H25 0.9300 . ?
C26 C27 1.38(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.38(4) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C30 1.41(2) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 C32 1.50(3) . ?
C32 C37 1.30(3) . ?
C32 C33 1.36(3) . ?
C33 C34 1.39(3) . ?
C34 C35 1.35(3) . ?
C34 H34 0.9300 . ?
C35 C36 1.38(3) . ?
C35 H35 0.9300 . ?
C36 C37 1.46(3) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C45 C46' 1.52(9) . ?
C45 C46 1.53(5) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C45 H45C 0.9800 . ?
C45 H45D 0.9834 . ?
C46 H45C 0.8780 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C46' H46D 0.9600 . ?
C46' H46E 0.9600 . ?
C46' H46F 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C44 C39 C40 C41 0.0 . . . . ?
C38 C39 C40 C41 177.8(17) . . . . ?
C39 C40 C41 C42 0.0 . . . . ?
C40 C41 C42 C43 0.0 . . . . ?
C41 C42 C43 C44 0.0 . . . . ?
C42 C43 C44 C39 0.0 . . . . ?
C40 C39 C44 C43 0.0 . . . . ?
C38 C39 C44 C43 -177.8(17) . . . . ?
O5 Tb1 O3 C15 82(13) . . . . ?
O10 Tb1 O3 C15 164(13) . . . . ?
O16 Tb1 O3 C15 -72(13) . . . . ?
O14 Tb1 O3 C15 -124(13) . . . . ?
O13 Tb1 O3 C15 117(13) . . . . ?
O7 Tb1 O3 C15 -1(13) . . . . ?
O11 Tb1 O3 C15 -145(13) . . . . ?
O8 Tb1 O3 C15 -3(13) . . . . ?
O3 Tb1 O5 C31 -168(8) . . . . ?
O10 Tb1 O5 C31 107(8) . . . . ?
O16 Tb1 O5 C31 -101(8) . . . . ?
O14 Tb1 O5 C31 28(8) . . . . ?
O13 Tb1 O5 C31 30(8) . . . . ?
O7 Tb1 O5 C31 -90(8) . . . . ?
O11 Tb1 O5 C31 127(7) . . . . ?
O8 Tb1 O5 C31 -40(8) . . . . ?
O9 N3 O7 Tb1 -179.3(19) . . . . ?
O8 N3 O7 Tb1 1(2) . . . . ?
O3 Tb1 O7 N3 -178.4(14) . . . . ?
O5 Tb1 O7 N3 95.0(14) . . . . ?
O10 Tb1 O7 N3 141.3(16) . . . . ?
O16 Tb1 O7 N3 -90.3(14) . . . . ?
O14 Tb1 O7 N3 -27.7(16) . . . . ?
O13 Tb1 O7 N3 31.0(15) . . . . ?
O11 Tb1 O7 N3 -125.2(14) . . . . ?
O8 Tb1 O7 N3 -0.6(13) . . . . ?
O7 N3 O8 Tb1 -1(2) . . . . ?
O9 N3 O8 Tb1 179.3(17) . . . . ?
O3 Tb1 O8 N3 3.2(14) . . . . ?
O5 Tb1 O8 N3 -80.1(12) . . . . ?
O10 Tb1 O8 N3 -153.3(12) . . . . ?
O16 Tb1 O8 N3 75.6(12) . . . . ?
O14 Tb1 O8 N3 155.2(13) . . . . ?
O13 Tb1 O8 N3 -149.2(13) . . . . ?
O7 Tb1 O8 N3 0.5(11) . . . . ?
O11 Tb1 O8 N3 115.8(12) . . . . ?
O11 N4 O10 Tb1 0(3) . . . . ?
O12 N4 O10 Tb1 -175(2) . . . . ?
O3 Tb1 O10 N4 74.6(15) . . . . ?
O5 Tb1 O10 N4 160.5(16) . . . . ?
O16 Tb1 O10 N4 -4.7(17) . . . . ?
O14 Tb1 O10 N4 -75.7(16) . . . . ?
O13 Tb1 O10 N4 -127.9(16) . . . . ?
O7 Tb1 O10 N4 114.0(18) . . . . ?
O11 Tb1 O10 N4 -0.2(15) . . . . ?
O8 Tb1 O10 N4 -123.9(15) . . . . ?
O10 N4 O11 Tb1 0(3) . . . . ?
O12 N4 O11 Tb1 175(2) . . . . ?
O3 Tb1 O11 N4 -94.9(16) . . . . ?
O5 Tb1 O11 N4 -24.8(18) . . . . ?
O10 Tb1 O11 N4 0.2(14) . . . . ?
O16 Tb1 O11 N4 176.2(16) . . . . ?
O14 Tb1 O11 N4 96.1(16) . . . . ?
O13 Tb1 O11 N4 53.5(16) . . . . ?
O7 Tb1 O11 N4 -149.2(14) . . . . ?
O8 Tb1 O11 N4 134.6(15) . . . . ?
O15 N5 O13 Tb1 179(2) . . . . ?
O14 N5 O13 Tb1 -1(2) . . . . ?
O3 Tb1 O13 N5 145.9(14) . . . . ?
O5 Tb1 O13 N5 -176.9(15) . . . . ?
O10 Tb1 O13 N5 97.1(14) . . . . ?
O16 Tb1 O13 N5 -22.6(15) . . . . ?
O14 Tb1 O13 N5 0.8(14) . . . . ?
O7 Tb1 O13 N5 -105.7(14) . . . . ?
O11 Tb1 O13 N5 56.8(14) . . . . ?
O8 Tb1 O13 N5 -80.6(14) . . . . ?
O15 N5 O14 Tb1 -179(2) . . . . ?
O13 N5 O14 Tb1 1(2) . . . . ?
O3 Tb1 O14 N5 -146.9(14) . . . . ?
O5 Tb1 O14 N5 1.9(17) . . . . ?
O10 Tb1 O14 N5 -75.3(15) . . . . ?
O16 Tb1 O14 N5 159.9(15) . . . . ?
O13 Tb1 O14 N5 -0.8(13) . . . . ?
O7 Tb1 O14 N5 100.4(15) . . . . ?
O11 Tb1 O14 N5 -126.2(15) . . . . ?
O8 Tb1 O14 N5 78.8(15) . . . . ?
O3 Tb1 O16 C45 -138(3) . . . . ?
O5 Tb1 O16 C45 155(3) . . . . ?
O10 Tb1 O16 C45 -58(3) . . . . ?
O14 Tb1 O16 C45 18(3) . . . . ?
O13 Tb1 O16 C45 36(3) . . . . ?
O7 Tb1 O16 C45 143(3) . . . . ?
O11 Tb1 O16 C45 -62(3) . . . . ?
O8 Tb1 O16 C45 92(3) . . . . ?
C13 O1 C1 C6 177(2) . . . . ?
C13 O1 C1 C2 -1(3) . . . . ?
O1 C1 C2 C3 178(2) . . . . ?
C6 C1 C2 C3 1(3) . . . . ?
C1 C2 C3 C4 0(3) . . . . ?
C2 C3 C4 C5 -1(3) . . . . ?
C2 C3 C4 Br1 178.3(17) . . . . ?
C3 C4 C5 C6 1(3) . . . . ?
Br1 C4 C5 C6 -178.4(17) . . . . ?
O1 C1 C6 C5 -178(2) . . . . ?
C2 C1 C6 C5 -1(4) . . . . ?
O1 C1 C6 C7 3(3) . . . . ?
C2 C1 C6 C7 -179(2) . . . . ?
C4 C5 C6 C1 0(4) . . . . ?
C4 C5 C6 C7 178(2) . . . . ?
C1 C6 C7 C12 56(3) . . . . ?
C5 C6 C7 C12 -122(3) . . . . ?
C1 C6 C7 C8 -134(2) . . . . ?
C5 C6 C7 C8 47(3) . . . . ?
C12 C7 C8 O2 -177(2) . . . 2_645 ?
C6 C7 C8 O2 13(3) . . . 2_645 ?
C12 C7 C8 C9 -7(4) . . . . ?
C6 C7 C8 C9 -177(2) . . . . ?
O2 C8 C9 C10 -180(2) 2_645 . . . ?
C7 C8 C9 C10 10(4) . . . . ?
C8 C9 C10 C11 -9(3) . . . . ?
C9 C10 C11 C12 5(3) . . . . ?
C9 C10 C11 Br2 179.2(15) . . . . ?
C10 C11 C12 C7 -3(4) . . . . ?
Br2 C11 C12 C7 -176.2(18) . . . . ?
C8 C7 C12 C11 3(4) . . . . ?
C6 C7 C12 C11 173(2) . . . . ?
C1 O1 C13 C14 -176(2) . . . . ?
O1 C13 C14 O4 -66(2) . . . . ?
C17 O4 C14 C13 174(2) . . . . ?
Tb1 O3 C15 N1 -70(14) . . . . ?
Tb1 O3 C15 C16 116(12) . . . . ?
C22 N1 C15 O3 12(4) . . . . ?
C22 N1 C15 C16 -174(2) . . . . ?
O3 C15 C16 C21 -18(4) . . . . ?
N1 C15 C16 C21 168(2) . . . . ?
O3 C15 C16 C17 163(3) . . . . ?
N1 C15 C16 C17 -11(4) . . . . ?
C14 O4 C17 C16 174(2) . . . . ?
C14 O4 C17 C18 -2(3) . . . . ?
C21 C16 C17 O4 -178(2) . . . . ?
C15 C16 C17 O4 1(4) . . . . ?
C21 C16 C17 C18 -2(4) . . . . ?
C15 C16 C17 C18 177(2) . . . . ?
O4 C17 C18 C19 -179(2) . . . . ?
C16 C17 C18 C19 5(4) . . . . ?
C17 C18 C19 C20 -5(4) . . . . ?
C18 C19 C20 C21 1(4) . . . . ?
C17 C16 C21 C20 -2(4) . . . . ?
C15 C16 C21 C20 179(2) . . . . ?
C19 C20 C21 C16 3(3) . . . . ?
C15 N1 C22 C23 -167(3) . . . . ?
N1 C22 C23 C28 76(4) . . . . ?
N1 C22 C23 C24 -99(4) . . . . ?
C28 C23 C24 C25 -1(5) . . . . ?
C22 C23 C24 C25 174(3) . . . . ?
C23 C24 C25 C26 -1(5) . . . . ?
C24 C25 C26 C27 2(5) . . . . ?
C25 C26 C27 C28 -1(5) . . . . ?
C24 C23 C28 C27 3(5) . . . . ?
C22 C23 C28 C27 -172(3) . . . . ?
C26 C27 C28 C23 -2(5) . . . . ?
C8 O2 C29 C30 174(2) 2_655 . . . ?
O2 C29 C30 O6 -73(2) . . . . ?
C33 O6 C30 C29 -167.4(19) . . . . ?
Tb1 O5 C31 N2 74(8) . . . . ?
Tb1 O5 C31 C32 -104(7) . . . . ?
C38 N2 C31 O5 -2(3) . . . . ?
C38 N2 C31 C32 176(2) . . . . ?
O5 C31 C32 C37 -12(3) . . . . ?
N2 C31 C32 C37 170(2) . . . . ?
O5 C31 C32 C33 176(2) . . . . ?
N2 C31 C32 C33 -2(3) . . . . ?
C30 O6 C33 C32 178.9(19) . . . . ?
C30 O6 C33 C34 -1(3) . . . . ?
C37 C32 C33 O6 -171(2) . . . . ?
C31 C32 C33 O6 0(3) . . . . ?
C37 C32 C33 C34 9(4) . . . . ?
C31 C32 C33 C34 -180(2) . . . . ?
O6 C33 C34 C35 176(2) . . . . ?
C32 C33 C34 C35 -4(3) . . . . ?
C33 C34 C35 C36 2(4) . . . . ?
C34 C35 C36 C37 -3(4) . . . . ?
C33 C32 C37 C36 -12(4) . . . . ?
C31 C32 C37 C36 176(2) . . . . ?
C35 C36 C37 C32 8(4) . . . . ?
C31 N2 C38 C39 161(2) . . . . ?
C40 C39 C38 N2 131.2(16) . . . . ?
C44 C39 C38 N2 -51(2) . . . . ?
Tb1 O16 C45 C46' 64(7) . . . . ?
Tb1 O16 C45 C46 -74(5) . . . . ?
