#------------------------------------------------------------------------------
#$Date: 2015-12-11 10:45:19 +0100 (vie 11 de dic de 2015) $
#$Revision: 171440 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/34/7223451.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_7223451
loop_
_publ_author_name
'Wang, Zhi-Nan'
'Xu, Xue-Ting'
'Lv, Xiao'
'Bai, Feng-Ying'
'Liu, Shu-Qing'
'Xing, Yong-Heng'
_publ_section_title
;
 Synthesis, crystal structure, fluorescence and antimicrobial activity of
 a series of rare-earth complexes based on indolebutyric acid
;
_journal_issue                   126
_journal_name_full               'RSC Adv.'
_journal_page_first              104263
_journal_paper_doi               10.1039/C5RA19376A
_journal_volume                  5
_journal_year                    2015
_chemical_formula_sum            'C96 H88 N10 O12 Tb2'
_chemical_formula_weight         1891.60
_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
_audit_update_record
;
2015-11-09 deposited with the CCDC.
2015-11-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 106.34(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.766(3)
_cell_length_b                   18.430(4)
_cell_length_c                   17.190(3)
_cell_measurement_reflns_used    6445
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.43
_cell_measurement_theta_min      3.08
_cell_volume                     4185.1(16)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '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  0.1199
_diffrn_reflns_av_sigmaI/netI    0.1054
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            37765
_diffrn_reflns_theta_full        27.43
_diffrn_reflns_theta_max         27.43
_diffrn_reflns_theta_min         3.08
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.746
_exptl_absorpt_correction_T_max  0.840
_exptl_absorpt_correction_T_min  0.693
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1920
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.978
_refine_diff_density_min         -1.479
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         9467
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.1035
_refine_ls_R_factor_gt           0.0613
_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)+(0.0000P)²+13.3612P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0912
_refine_ls_wR_factor_ref         0.1056
_reflns_number_gt                6445
_reflns_number_total             9467
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra19376a2.cif
_cod_data_source_block           bai-716
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 
;
_cod_original_cell_volume        4185.2(15)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7223451
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
Tb1 Tb 0.628774(19) 0.510107(14) 0.471799(17) 0.02325(8) Uani 1 1 d .
O1 O 0.7466(3) 0.6094(2) 0.5429(3) 0.0378(11) Uani 1 1 d .
O2 O 0.6577(3) 0.6265(2) 0.4167(3) 0.0396(11) Uani 1 1 d .
O3 O 0.6156(3) 0.3791(2) 0.4438(2) 0.0348(10) Uani 1 1 d .
O4 O 0.4856(3) 0.4198(2) 0.4805(2) 0.0278(9) Uani 1 1 d .
O5 O 0.6603(3) 0.4701(2) 0.6078(2) 0.0291(9) Uani 1 1 d .
O6 O 0.5129(3) 0.4754(2) 0.6390(2) 0.0307(10) Uani 1 1 d .
N1 N 0.8104(3) 0.4592(3) 0.5018(3) 0.0305(12) Uani 1 1 d .
N2 N 0.6970(3) 0.4883(3) 0.3472(3) 0.0314(11) Uani 1 1 d .
N3 N 0.7769(5) 0.7870(3) 0.1371(4) 0.0612(19) Uani 1 1 d .
H3A H 0.7989 0.8085 0.1010 0.073 Uiso 1 1 calc R
N4 N 0.6895(5) 0.1680(3) 0.7889(4) 0.0565(17) Uani 1 1 d .
H4A H 0.6895 0.1492 0.8347 0.068 Uiso 1 1 calc R
N5 N 1.0853(4) 0.3652(3) 0.8520(4) 0.0595(18) Uani 1 1 d .
H5A H 1.1238 0.3289 0.8503 0.071 Uiso 1 1 calc R
C1 C 0.8671(5) 0.4441(4) 0.5752(4) 0.0438(17) Uani 1 1 d .
H1A H 0.8396 0.4529 0.6179 0.053 Uiso 1 1 calc R
C2 C 0.9653(5) 0.4160(4) 0.5947(4) 0.0473(18) Uani 1 1 d .
H2A H 1.0021 0.4077 0.6483 0.057 Uiso 1 1 calc R
C3 C 1.0052(5) 0.4012(4) 0.5320(4) 0.0470(19) Uani 1 1 d .
H3B H 1.0699 0.3815 0.5427 0.056 Uiso 1 1 calc R
C4 C 0.9493(5) 0.4155(4) 0.4517(4) 0.0393(16) Uani 1 1 d .
C5 C 0.9872(5) 0.4005(4) 0.3833(5) 0.0476(19) Uani 1 1 d .
H5B H 1.0515 0.3807 0.3919 0.057 Uiso 1 1 calc R
C6 C 0.9316(5) 0.4147(4) 0.3078(5) 0.0486(19) Uani 1 1 d .
H6A H 0.9578 0.4050 0.2646 0.058 Uiso 1 1 calc R
C7 C 0.8324(5) 0.4446(3) 0.2926(4) 0.0347(15) Uani 1 1 d .
C8 C 0.7722(5) 0.4608(4) 0.2149(5) 0.052(2) Uani 1 1 d .
H8A H 0.7962 0.4515 0.1704 0.062 Uiso 1 1 calc R
C9 C 0.6778(5) 0.4905(4) 0.2034(4) 0.0522(19) Uani 1 1 d .
H9A H 0.6374 0.5017 0.1517 0.063 Uiso 1 1 calc R
C10 C 0.6437(5) 0.5035(4) 0.2719(4) 0.0451(17) Uani 1 1 d .
H10A H 0.5799 0.5239 0.2639 0.054 Uiso 1 1 calc R
C11 C 0.7924(4) 0.4603(3) 0.3583(4) 0.0300(14) Uani 1 1 d .
C12 C 0.8514(4) 0.4439(3) 0.4389(4) 0.0275(13) Uani 1 1 d .
C13 C 0.7201(5) 0.6494(3) 0.4809(4) 0.0321(15) Uani 1 1 d .
C14 C 0.7630(5) 0.7243(4) 0.4833(4) 0.0474(19) Uani 1 1 d .
H14A H 0.8354 0.7221 0.5085 0.057 Uiso 1 1 calc R
H14B H 0.7338 0.7546 0.5171 0.057 Uiso 1 1 calc R
C15 C 0.7433(6) 0.7605(4) 0.3984(5) 0.057(2) Uani 1 1 d .
H15A H 0.6716 0.7580 0.3705 0.068 Uiso 1 1 calc R
H15B H 0.7622 0.8114 0.4054 0.068 Uiso 1 1 calc R
C16 C 0.8031(6) 0.7240(4) 0.3463(5) 0.056(2) Uani 1 1 d .
H16A H 0.8742 0.7354 0.3692 0.067 Uiso 1 1 calc R
H16B H 0.7958 0.6719 0.3500 0.067 Uiso 1 1 calc R
C17 C 0.7738(5) 0.7443(4) 0.2595(5) 0.051(2) Uani 1 1 d .
C18 C 0.8250(6) 0.7838(4) 0.2177(6) 0.062(2) Uani 1 1 d .
H18A H 0.8866 0.8064 0.2416 0.075 Uiso 1 1 calc R
C19 C 0.6872(7) 0.7498(4) 0.1231(5) 0.058(2) Uani 1 1 d .
C20 C 0.6101(7) 0.7356(5) 0.0526(5) 0.069(3) Uani 1 1 d .
H20A H 0.6132 0.7540 0.0030 0.083 Uiso 1 1 calc R
C21 C 0.5298(7) 0.6942(6) 0.0577(6) 0.081(3) Uani 1 1 d .
H21A H 0.4789 0.6840 0.0105 0.097 Uiso 1 1 calc R
C22 C 0.5217(7) 0.6670(5) 0.1303(6) 0.078(3) Uani 1 1 d .
H22A H 0.4652 0.6399 0.1316 0.094 Uiso 1 1 calc R
C23 C 0.5984(6) 0.6801(4) 0.2021(5) 0.061(2) Uani 1 1 d .
H23A H 0.5936 0.6614 0.2511 0.074 Uiso 1 1 calc R
C24 C 0.6819(5) 0.7217(4) 0.1991(5) 0.050(2) Uani 1 1 d .
C25 C 0.5323(4) 0.3671(3) 0.4599(3) 0.0268(13) Uani 1 1 d .
C26 C 0.4895(4) 0.2922(3) 0.4529(4) 0.0351(15) Uani 1 1 d .
H26A H 0.4885 0.2720 0.4005 0.042 Uiso 1 1 calc R
H26B H 0.4203 0.2942 0.4560 0.042 Uiso 1 1 calc R
C27 C 0.5522(5) 0.2426(3) 0.5205(4) 0.0434(17) Uani 1 1 d .
H27A H 0.5158 0.1975 0.5202 0.052 Uiso 1 1 calc R
H27B H 0.6158 0.2312 0.5093 0.052 Uiso 1 1 calc R
C28 C 0.5742(5) 0.2765(4) 0.6035(4) 0.0474(18) Uani 1 1 d .
H28A H 0.5105 0.2873 0.6147 0.057 Uiso 1 1 calc R
H28B H 0.6092 0.3221 0.6032 0.057 Uiso 1 1 calc R
C29 C 0.6373(5) 0.2296(4) 0.6711(4) 0.0463(18) Uani 1 1 d .
C30 C 0.6146(6) 0.2093(4) 0.7406(5) 0.053(2) Uani 1 1 d .
H30A H 0.5554 0.2221 0.7532 0.064 Uiso 1 1 calc R
C31 C 0.7653(6) 0.1617(4) 0.7515(4) 0.0463(18) Uani 1 1 d .
C32 C 0.8557(6) 0.1263(4) 0.7770(5) 0.057(2) Uani 1 1 d .
H32A H 0.8742 0.1020 0.8264 0.068 Uiso 1 1 calc R
C33 C 0.9190(6) 0.1276(5) 0.7272(6) 0.073(3) Uani 1 1 d .
H33A H 0.9803 0.1028 0.7427 0.087 Uiso 1 1 calc R
C34 C 0.8920(6) 0.1655(6) 0.6541(6) 0.089(3) Uani 1 1 d .
H34A H 0.9361 0.1661 0.6219 0.107 Uiso 1 1 calc R
C35 C 0.8006(6) 0.2025(5) 0.6285(5) 0.072(3) Uani 1 1 d .
H35A H 0.7829 0.2277 0.5796 0.086 Uiso 1 1 calc R
C36 C 0.7360(5) 0.2005(4) 0.6786(4) 0.0448(18) Uani 1 1 d .
C37 C 0.6063(4) 0.4602(3) 0.6554(4) 0.0295(14) Uani 1 1 d .
C38 C 0.6514(4) 0.4278(4) 0.7389(4) 0.0391(16) Uani 1 1 d .
H38A H 0.6101 0.3865 0.7443 0.047 Uiso 1 1 calc R
H38B H 0.6451 0.4635 0.7786 0.047 Uiso 1 1 calc R
C39 C 0.7624(4) 0.4026(3) 0.7616(4) 0.0410(17) Uani 1 1 d .
H39A H 0.7721 0.3655 0.8031 0.049 Uiso 1 1 calc R
H39B H 0.7758 0.3807 0.7144 0.049 Uiso 1 1 calc R
C40 C 0.8387(5) 0.4631(4) 0.7925(4) 0.0414(17) Uani 1 1 d .
H40A H 0.8350 0.4972 0.7488 0.050 Uiso 1 1 calc R
H40B H 0.8203 0.4890 0.8355 0.050 Uiso 1 1 calc R
C41 C 0.9467(5) 0.4364(4) 0.8244(4) 0.0397(16) Uani 1 1 d .
C42 C 0.9837(5) 0.3718(4) 0.8080(4) 0.0480(18) Uani 1 1 d .
H42A H 0.9468 0.3370 0.7727 0.058 Uiso 1 1 calc R
C43 C 1.1132(5) 0.4262(4) 0.8981(4) 0.0477(19) Uani 1 1 d .
C44 C 1.2052(6) 0.4439(5) 0.9539(5) 0.070(3) Uani 1 1 d .
H44A H 1.2602 0.4124 0.9655 0.084 Uiso 1 1 calc R
C45 C 1.2102(6) 0.5106(6) 0.9909(5) 0.076(3) Uani 1 1 d .
H45A H 1.2705 0.5245 1.0281 0.091 Uiso 1 1 calc R
C46 C 1.1274(7) 0.5583(5) 0.9744(5) 0.070(2) Uani 1 1 d .
H46A H 1.1339 0.6030 1.0004 0.084 Uiso 1 1 calc R
C47 C 1.0373(5) 0.5395(4) 0.9203(4) 0.054(2) Uani 1 1 d .
H47A H 0.9823 0.5709 0.9104 0.064 Uiso 1 1 calc R
C48 C 1.0286(5) 0.4731(4) 0.8803(4) 0.0409(17) Uani 1 1 d .
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 74.57(13) 3_666 3_666
O6 Tb1 O5 136.19(12) 3_666 .
O4 Tb1 O5 77.44(12) 3_666 .
O6 Tb1 O2 76.72(14) 3_666 .
O4 Tb1 O2 81.35(13) 3_666 .
O5 Tb1 O2 131.00(14) . .
O6 Tb1 O3 87.33(14) 3_666 .
O4 Tb1 O3 125.94(12) 3_666 .
O5 Tb1 O3 82.55(13) . .
O2 Tb1 O3 143.54(14) . .
O6 Tb1 O1 126.20(14) 3_666 .
O4 Tb1 O1 80.47(13) 3_666 .
O5 Tb1 O1 80.38(14) . .
O2 Tb1 O1 52.65(14) . .
O3 Tb1 O1 144.07(14) . .
O6 Tb1 N1 138.27(14) 3_666 .
O4 Tb1 N1 146.51(14) 3_666 .
O5 Tb1 N1 77.98(14) . .
O2 Tb1 N1 98.24(15) . .
O3 Tb1 N1 72.35(14) . .
O1 Tb1 N1 73.28(15) . .
O6 Tb1 N2 75.93(13) 3_666 .
O4 Tb1 N2 143.43(14) 3_666 .
O5 Tb1 N2 139.05(14) . .
O2 Tb1 N2 71.19(15) . .
O3 Tb1 N2 73.22(14) . .
O1 Tb1 N2 100.35(14) . .
N1 Tb1 N2 63.56(15) . .
O6 Tb1 O4 69.40(12) 3_666 .
O4 Tb1 O4 74.99(14) 3_666 .
O5 Tb1 O4 71.21(12) . .
O2 Tb1 O4 142.64(13) . .
O3 Tb1 O4 51.02(12) . .
O1 Tb1 O4 145.69(12) . .
N1 Tb1 O4 117.41(14) . .
N2 Tb1 O4 113.66(13) . .
O6 Tb1 C13 101.39(17) 3_666 .
O4 Tb1 C13 79.28(14) 3_666 .
O5 Tb1 C13 105.72(16) . .
O2 Tb1 C13 26.29(15) . .
O3 Tb1 C13 154.77(14) . .
O1 Tb1 C13 26.37(15) . .
N1 Tb1 C13 85.90(16) . .
N2 Tb1 C13 85.88(16) . .
O4 Tb1 C13 154.14(14) . .
O6 Tb1 C25 77.70(15) 3_666 .
O4 Tb1 C25 100.57(14) 3_666 .
O5 Tb1 C25 75.11(14) . .
O2 Tb1 C25 152.81(15) . .
O3 Tb1 C25 25.39(13) . .
O1 Tb1 C25 154.54(15) . .
N1 Tb1 C25 94.68(16) . .
N2 Tb1 C25 93.74(15) . .
O4 Tb1 C25 25.64(13) . .
C13 Tb1 C25 179.08(18) . .
O6 Tb1 Tb1 66.93(9) 3_666 3_666
O4 Tb1 Tb1 39.81(9) 3_666 3_666
O5 Tb1 Tb1 69.93(9) . 3_666
O2 Tb1 Tb1 115.92(10) . 3_666
O3 Tb1 Tb1 86.17(8) . 3_666
O1 Tb1 Tb1 116.66(9) . 3_666
N1 Tb1 Tb1 143.38(11) . 3_666
N2 Tb1 Tb1 138.17(10) . 3_666
O4 Tb1 Tb1 35.18(8) . 3_666
C13 Tb1 Tb1 119.05(11) . 3_666
C25 Tb1 Tb1 60.78(11) . 3_666
C13 O1 Tb1 91.1(4) . .
C13 O2 Tb1 95.7(4) . .
C25 O3 Tb1 98.6(3) . .
C25 O4 Tb1 163.3(4) . 3_666
C25 O4 Tb1 91.3(3) . .
Tb1 O4 Tb1 105.02(14) 3_666 .
C37 O5 Tb1 134.8(4) . .
C37 O6 Tb1 140.5(4) . 3_666
C1 N1 C12 116.3(5) . .
C1 N1 Tb1 123.4(4) . .
C12 N1 Tb1 120.3(4) . .
C10 N2 C11 117.4(5) . .
C10 N2 Tb1 122.9(4) . .
C11 N2 Tb1 119.8(4) . .
C18 N3 C19 108.2(6) . .
C30 N4 C31 107.8(6) . .
C43 N5 C42 108.6(6) . .
N1 C1 C2 125.7(6) . .
C3 C2 C1 117.4(7) . .
C2 C3 C4 120.5(6) . .
C3 C4 C12 117.4(6) . .
C3 C4 C5 122.9(6) . .
C12 C4 C5 119.7(6) . .
C6 C5 C4 121.1(6) . .
C5 C6 C7 120.8(6) . .
C8 C7 C11 117.4(6) . .
C8 C7 C6 122.6(6) . .
C11 C7 C6 119.9(6) . .
C9 C8 C7 120.5(6) . .
C8 C9 C10 118.2(7) . .
N2 C10 C9 124.0(6) . .
N2 C11 C7 122.4(6) . .
N2 C11 C12 118.3(5) . .
C7 C11 C12 119.2(5) . .
N1 C12 C4 122.7(6) . .
N1 C12 C11 118.0(5) . .
C4 C12 C11 119.3(5) . .
O1 C13 O2 120.5(6) . .
O1 C13 C14 119.7(6) . .
O2 C13 C14 119.8(6) . .
O1 C13 Tb1 62.5(3) . .
O2 C13 Tb1 58.0(3) . .
C14 C13 Tb1 177.0(5) . .
C13 C14 C15 113.9(6) . .
C16 C15 C14 112.3(6) . .
C17 C16 C15 116.1(6) . .
C18 C17 C24 104.7(7) . .
C18 C17 C16 129.5(8) . .
C24 C17 C16 125.7(6) . .
C17 C18 N3 112.8(8) . .
N3 C19 C20 132.4(8) . .
N3 C19 C24 107.2(8) . .
C20 C19 C24 120.4(8) . .
C21 C20 C19 118.8(8) . .
C20 C21 C22 122.3(9) . .
C21 C22 C23 120.1(9) . .
C24 C23 C22 119.2(8) . .
C23 C24 C19 119.2(8) . .
C23 C24 C17 133.8(7) . .
C19 C24 C17 107.0(7) . .
O4 C25 O3 119.0(5) . .
O4 C25 C26 120.8(5) . .
O3 C25 C26 120.2(5) . .
O4 C25 Tb1 63.1(3) . .
O3 C25 Tb1 56.0(3) . .
C26 C25 Tb1 176.1(4) . .
C25 C26 C27 111.3(5) . .
C28 C27 C26 112.9(5) . .
C27 C28 C29 114.2(6) . .
C30 C29 C36 105.2(6) . .
C30 C29 C28 127.2(7) . .
C36 C29 C28 127.5(6) . .
N4 C30 C29 111.4(6) . .
C32 C31 N4 129.3(7) . .
C32 C31 C36 122.6(7) . .
N4 C31 C36 108.0(6) . .
C31 C32 C33 118.1(7) . .
C32 C33 C34 120.7(7) . .
C35 C34 C33 121.4(8) . .
C34 C35 C36 117.8(8) . .
C31 C36 C35 119.4(7) . .
C31 C36 C29 107.4(6) . .
C35 C36 C29 133.2(7) . .
O5 C37 O6 124.6(5) . .
O5 C37 C38 120.7(5) . .
O6 C37 C38 114.6(5) . .
C37 C38 C39 118.2(5) . .
C40 C39 C38 113.9(5) . .
C41 C40 C39 113.4(5) . .
C42 C41 C48 106.5(6) . .
C42 C41 C40 126.8(6) . .
C48 C41 C40 126.7(6) . .
C41 C42 N5 110.0(7) . .
N5 C43 C44 130.1(8) . .
N5 C43 C48 107.2(6) . .
C44 C43 C48 122.7(8) . .
C45 C44 C43 116.3(8) . .
C44 C45 C46 122.3(8) . .
C47 C46 C45 120.5(8) . .
C46 C47 C48 119.6(7) . .
C47 C48 C43 118.6(7) . .
C47 C48 C41 133.6(6) . .
C43 C48 C41 107.6(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O6 2.326(4) 3_666
Tb1 O4 2.355(4) 3_666
Tb1 O5 2.372(4) .
Tb1 O2 2.423(4) .
Tb1 O3 2.459(4) .
Tb1 O1 2.522(4) .
Tb1 N1 2.582(4) .
Tb1 N2 2.601(4) .
Tb1 O4 2.616(4) .
Tb1 C13 2.843(6) .
Tb1 C25 2.933(6) .
Tb1 Tb1 3.9475(10) 3_666
O1 C13 1.263(7) .
O2 C13 1.265(7) .
O3 C25 1.272(6) .
O4 C25 1.269(6) .
O4 Tb1 2.355(4) 3_666
O5 C37 1.264(6) .
O6 C37 1.269(6) .
O6 Tb1 2.326(4) 3_666
N1 C1 1.314(8) .
N1 C12 1.382(7) .
N2 C10 1.325(7) .
N2 C11 1.374(7) .
N3 C18 1.359(10) .
N3 C19 1.373(10) .
N4 C30 1.361(9) .
N4 C31 1.375(8) .
N5 C43 1.368(9) .
N5 C42 1.395(8) .
C1 C2 1.397(8) .
C2 C3 1.368(9) .
C3 C4 1.404(9) .
C4 C12 1.404(8) .
C4 C5 1.441(8) .
C5 C6 1.333(9) .
C6 C7 1.427(8) .
C7 C8 1.392(9) .
C7 C11 1.417(8) .
C8 C9 1.373(9) .
C9 C10 1.405(8) .
C11 C12 1.428(8) .
C13 C14 1.498(8) .
C14 C15 1.558(9) .
C15 C16 1.533(9) .
C16 C17 1.479(10) .
C17 C18 1.353(9) .
C17 C24 1.453(10) .
C19 C20 1.393(11) .
C19 C24 1.427(10) .
C20 C21 1.365(11) .
C21 C22 1.378(11) .
C22 C23 1.401(11) .
C23 C24 1.395(9) .
C25 C26 1.492(8) .
C26 C27 1.538(8) .
C27 C28 1.509(9) .
C28 C29 1.512(9) .
C29 C30 1.369(9) .
C29 C36 1.432(9) .
C31 C32 1.363(9) .
C31 C36 1.400(9) .
C32 C33 1.383(10) .
C33 C34 1.395(11) .
C34 C35 1.389(10) .
C35 C36 1.403(9) .
C37 C38 1.516(8) .
C38 C39 1.539(8) .
C39 C40 1.522(9) .
C40 C41 1.515(8) .
C41 C42 1.355(9) .
C41 C48 1.430(9) .
C43 C44 1.395(10) .
C43 C48 1.412(9) .
C44 C45 1.376(12) .
C45 C46 1.404(11) .
C46 C47 1.369(10) .
C47 C48 1.393(9) .
