#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:24:35 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180433 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/02/7210260.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_7210260
loop_
_publ_author_name
'Luo, Yu-Hui'
'Yue, Feng-Xia'
'Yu, Xiao-Yang'
'Chen, Xin'
'Zhang, Hong'
_publ_section_title
;
 Coordination polymers of lanthanide complexes with benzene dicarboxylato
 ligands
;
_journal_issue                   32
_journal_name_full               CrystEngComm
_journal_page_first              6340
_journal_paper_doi               10.1039/c3ce40357b
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C34 H21 N2 O7 Tb'
_chemical_formula_sum            'C34 H21 N2 O7 Tb'
_chemical_formula_weight         728.46
_chemical_melting_point          ?
_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                 107.951(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9617(6)
_cell_length_b                   12.6849(5)
_cell_length_c                   19.6998(10)
_cell_measurement_reflns_used    6463
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5010
_cell_measurement_theta_min      2.1735
_cell_volume                     2843.6(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0312
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            21744
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    2.542
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (Rigaku CrystalClear)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.2500
_exptl_crystal_size_mid          0.2100
_exptl_crystal_size_min          0.1800
_refine_diff_density_max         1.920
_refine_diff_density_min         -1.337
_refine_diff_density_rms         0.337
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         6508
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0445
_refine_ls_R_factor_gt           0.0352
_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)+(0.0626P)²+9.0570P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0902
_refine_ls_wR_factor_ref         0.1212
_reflns_number_gt                5765
_reflns_number_total             6508
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40357b.txt
_cod_data_source_block           10
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_symmetry_cell_setting' value
'Monoclinic' changed to 'monoclinic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7210260
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
Tb1 Tb 0.507269(19) 0.602042(16) 0.568362(11) 0.02582(9) Uani 1 1 d .
C1 C 0.6323(5) 0.5057(4) 0.6965(3) 0.0335(10) Uani 1 1 d .
C2 C 0.6964(4) 0.4543(4) 0.7660(3) 0.0324(10) Uani 1 1 d .
C3 C 0.6434(5) 0.3690(4) 0.7882(3) 0.0344(10) Uani 1 1 d .
H3 H 0.5682 0.3487 0.7610 0.041 Uiso 1 1 calc R
C4 C 0.8073(4) 0.4876(4) 0.8086(3) 0.0347(10) Uani 1 1 d .
C5 C 0.8723(5) 0.5847(5) 0.7946(3) 0.0409(12) Uani 1 1 d .
C6 C 0.8200(5) 0.6909(5) 0.7989(3) 0.0455(13) Uani 1 1 d .
C7 C 0.7233(6) 0.7042(5) 0.8225(3) 0.0529(15) Uani 1 1 d .
H7 H 0.6881 0.6458 0.8360 0.063 Uiso 1 1 calc R
C8 C 0.6783(7) 0.8047(6) 0.8262(4) 0.070(2) Uani 1 1 d .
H8 H 0.6138 0.8134 0.8426 0.083 Uiso 1 1 calc R
C9 C 0.7285(8) 0.8895(7) 0.8058(5) 0.074(2) Uani 1 1 d U
H9 H 0.6967 0.9561 0.8072 0.089 Uiso 1 1 calc R
C10 C 0.8242(8) 0.8793(7) 0.7834(5) 0.070(2) Uani 1 1 d U
H10 H 0.8581 0.9390 0.7704 0.084 Uiso 1 1 calc R
C11 C 0.8733(7) 0.7784(5) 0.7794(3) 0.0592(18) Uani 1 1 d .
H11 H 0.9392 0.7711 0.7642 0.071 Uiso 1 1 calc R
C12 C 0.6332(5) 0.2293(4) 0.8744(3) 0.0345(10) Uani 1 1 d .
C13 C 0.7002(5) 0.3138(4) 0.8498(3) 0.0338(10) Uani 1 1 d .
C14 C 0.8131(5) 0.3434(4) 0.8905(3) 0.0355(11) Uani 1 1 d .
C15 C 0.8649(5) 0.4313(5) 0.8702(3) 0.0387(11) Uani 1 1 d .
H15 H 0.9391 0.4529 0.8983 0.046 Uiso 1 1 calc R
C16 C 0.8839(5) 0.2901(5) 0.9587(3) 0.0398(12) Uani 1 1 d .
C17 C 0.9625(5) 0.2028(4) 0.9527(3) 0.0363(11) Uani 1 1 d .
C18 C 1.0428(5) 0.1625(5) 1.0146(3) 0.0469(13) Uani 1 1 d .
H18 H 1.0473 0.1907 1.0589 0.056 Uiso 1 1 calc R
C19 C 1.1157(6) 0.0803(6) 1.0095(5) 0.067(2) Uani 1 1 d .
H19 H 1.1688 0.0527 1.0505 0.080 Uiso 1 1 calc R
C20 C 1.1100(7) 0.0399(6) 0.9447(4) 0.0648(18) Uani 1 1 d U
H20 H 1.1585 -0.0162 0.9420 0.078 Uiso 1 1 calc R
C21 C 1.0333(6) 0.0807(6) 0.8827(4) 0.0599(18) Uani 1 1 d .
H21 H 1.0321 0.0537 0.8386 0.072 Uiso 1 1 calc R
C22 C 0.9590(5) 0.1612(5) 0.8866(3) 0.0466(13) Uani 1 1 d .
H22 H 0.9063 0.1881 0.8451 0.056 Uiso 1 1 calc R
C23 C 0.3091(6) 0.7052(6) 0.4153(4) 0.0626(18) Uani 1 1 d .
H23 H 0.2685 0.6453 0.4216 0.075 Uiso 1 1 calc R
C24 C 0.2547(7) 0.7731(8) 0.3584(4) 0.079(2) Uani 1 1 d .
H24 H 0.1798 0.7584 0.3279 0.095 Uiso 1 1 calc R
C25 C 0.3134(7) 0.8601(7) 0.3489(4) 0.072(2) Uani 1 1 d .
H25 H 0.2787 0.9062 0.3116 0.087 Uiso 1 1 calc R
C26 C 0.4251(7) 0.8810(5) 0.3945(4) 0.0566(17) Uani 1 1 d .
C27 C 0.4751(5) 0.8088(4) 0.4491(3) 0.0403(12) Uani 1 1 d .
C28 C 0.5884(5) 0.8278(4) 0.4994(3) 0.0395(12) Uani 1 1 d .
C29 C 0.6502(6) 0.9206(5) 0.4924(4) 0.0534(16) Uani 1 1 d .
C30 C 0.5962(7) 0.9925(7) 0.4364(4) 0.070(2) Uani 1 1 d U
H30 H 0.6360 1.0539 0.4321 0.084 Uiso 1 1 calc R
C31 C 0.4916(7) 0.9749(7) 0.3904(4) 0.069(2) Uani 1 1 d U
H31 H 0.4598 1.0239 0.3546 0.083 Uiso 1 1 calc R
C32 C 0.7607(7) 0.9363(5) 0.5423(4) 0.0637(19) Uani 1 1 d .
H32 H 0.8037 0.9964 0.5396 0.076 Uiso 1 1 calc R
C33 C 0.8056(6) 0.8648(6) 0.5945(4) 0.0599(17) Uani 1 1 d .
H33 H 0.8794 0.8749 0.6275 0.072 Uiso 1 1 calc R
C34 C 0.7390(6) 0.7751(5) 0.5982(3) 0.0488(14) Uani 1 1 d .
H34 H 0.7701 0.7264 0.6344 0.059 Uiso 1 1 calc R
N1 N 0.4146(4) 0.7222(4) 0.4603(2) 0.0427(11) Uani 1 1 d .
N2 N 0.6339(4) 0.7570(3) 0.5524(2) 0.0377(9) Uani 1 1 d .
O1 O 0.5251(3) 0.4862(3) 0.6682(2) 0.0489(10) Uani 1 1 d .
O2 O 0.6880(3) 0.5656(3) 0.66712(19) 0.0396(8) Uani 1 1 d .
O3 O 0.9675(4) 0.5727(4) 0.7860(3) 0.0599(12) Uani 1 1 d .
O4 O 0.6858(3) 0.1590(3) 0.9174(2) 0.0431(9) Uani 1 1 d .
O5 O 0.5225(4) 0.2360(3) 0.8530(2) 0.0519(11) Uani 1 1 d .
O6 O 0.8815(5) 0.3247(4) 1.0160(2) 0.0656(14) Uani 1 1 d .
O7 O 0.6036(3) 0.5270(3) 0.49783(19) 0.0345(8) 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
O7 Tb1 O7 70.13(14) 3_666 .
O7 Tb1 O5 135.28(13) 3_666 2_656
O7 Tb1 O5 153.76(13) . 2_656
O7 Tb1 O1 85.26(14) 3_666 .
O7 Tb1 O1 108.03(15) . .
O5 Tb1 O1 84.17(17) 2_656 .
O7 Tb1 O2 122.51(13) 3_666 .
O7 Tb1 O2 85.26(13) . .
O5 Tb1 O2 83.78(14) 2_656 .
O1 Tb1 O2 53.60(12) . .
O7 Tb1 O4 82.91(12) 3_666 2_656
O7 Tb1 O4 147.70(12) . 2_656
O5 Tb1 O4 53.15(13) 2_656 2_656
O1 Tb1 O4 86.42(14) . 2_656
O2 Tb1 O4 125.24(13) . 2_656
O7 Tb1 N2 138.76(13) 3_666 .
O7 Tb1 N2 79.36(13) . .
O5 Tb1 N2 75.35(15) 2_656 .
O1 Tb1 N2 131.42(14) . .
O2 Tb1 N2 80.37(13) . .
O4 Tb1 N2 113.05(14) 2_656 .
O7 Tb1 N1 85.69(15) 3_666 .
O7 Tb1 N1 84.99(15) . .
O5 Tb1 N1 90.17(16) 2_656 .
O1 Tb1 N1 160.47(15) . .
O2 Tb1 N1 144.36(14) . .
O4 Tb1 N1 75.31(15) 2_656 .
N2 Tb1 N1 64.15(15) . .
O7 Tb1 C1 105.15(14) 3_666 .
O7 Tb1 C1 97.96(14) . .
O5 Tb1 C1 82.58(16) 2_656 .
O1 Tb1 C1 26.70(13) . .
O2 Tb1 C1 26.92(13) . .
O4 Tb1 C1 106.22(14) 2_656 .
N2 Tb1 C1 105.99(15) . .
N1 Tb1 C1 169.14(15) . .
O7 Tb1 C12 109.40(14) 3_666 2_656
O7 Tb1 C12 165.35(14) . 2_656
O5 Tb1 C12 26.64(14) 2_656 2_656
O1 Tb1 C12 86.35(16) . 2_656
O2 Tb1 C12 106.18(14) . 2_656
O4 Tb1 C12 26.61(13) 2_656 2_656
N2 Tb1 C12 93.34(15) . 2_656
N1 Tb1 C12 80.40(15) . 2_656
C1 Tb1 C12 96.25(15) . 2_656
O7 Tb1 Tb1 35.22(9) 3_666 3_666
O7 Tb1 Tb1 34.91(8) . 3_666
O5 Tb1 Tb1 169.25(10) 2_656 3_666
O1 Tb1 Tb1 98.02(11) . 3_666
O2 Tb1 Tb1 106.04(10) . 3_666
O4 Tb1 Tb1 116.32(8) 2_656 3_666
N2 Tb1 Tb1 110.14(10) . 3_666
N1 Tb1 Tb1 84.30(11) . 3_666
C1 Tb1 Tb1 104.12(10) . 3_666
C12 Tb1 Tb1 142.70(11) 2_656 3_666
O1 C1 O2 121.7(5) . .
O1 C1 C2 119.1(4) . .
O2 C1 C2 119.2(5) . .
O1 C1 Tb1 59.6(3) . .
O2 C1 Tb1 62.1(3) . .
C2 C1 Tb1 178.4(4) . .
C3 C2 C4 119.1(5) . .
C3 C2 C1 118.1(4) . .
C4 C2 C1 122.8(5) . .
C13 C3 C2 121.4(5) . .
C13 C3 H3 119.3 . .
C2 C3 H3 119.3 . .
C15 C4 C2 119.4(5) . .
C15 C4 C5 115.3(5) . .
C2 C4 C5 125.3(5) . .
O3 C5 C6 123.2(6) . .
O3 C5 C4 118.4(5) . .
C6 C5 C4 118.1(5) . .
C7 C6 C11 119.8(6) . .
C7 C6 C5 122.4(5) . .
C11 C6 C5 117.9(6) . .
C6 C7 C8 120.3(7) . .
C6 C7 H7 119.8 . .
C8 C7 H7 119.8 . .
C9 C8 C7 119.9(8) . .
C9 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
C8 C9 C10 121.2(9) . .
C8 C9 H9 119.4 . .
C10 C9 H9 119.4 . .
C9 C10 C11 120.6(8) . .
C9 C10 H10 119.7 . .
C11 C10 H10 119.7 . .
C6 C11 C10 118.2(7) . .
C6 C11 H11 120.9 . .
C10 C11 H11 120.9 . .
O4 C12 O5 122.0(5) . .
O4 C12 C13 121.1(5) . .
O5 C12 C13 116.8(4) . .
O4 C12 Tb1 63.8(3) . 2_646
O5 C12 Tb1 58.5(3) . 2_646
C13 C12 Tb1 169.6(4) . 2_646
C3 C13 C14 119.7(5) . .
C3 C13 C12 118.5(5) . .
C14 C13 C12 121.6(4) . .
C15 C14 C13 119.2(5) . .
C15 C14 C16 115.9(5) . .
C13 C14 C16 124.8(5) . .
C14 C15 C4 121.0(5) . .
C14 C15 H15 119.5 . .
C4 C15 H15 119.5 . .
O6 C16 C17 122.7(5) . .
O6 C16 C14 119.7(5) . .
C17 C16 C14 117.4(4) . .
C22 C17 C18 119.4(5) . .
C22 C17 C16 121.4(5) . .
C18 C17 C16 119.2(5) . .
C19 C18 C17 119.5(6) . .
C19 C18 H18 120.2 . .
C17 C18 H18 120.2 . .
C20 C19 C18 120.3(7) . .
C20 C19 H19 119.9 . .
C18 C19 H19 119.9 . .
C19 C20 C21 121.1(7) . .
C19 C20 H20 119.4 . .
C21 C20 H20 119.4 . .
C22 C21 C20 119.6(7) . .
C22 C21 H21 120.2 . .
C20 C21 H21 120.2 . .
C21 C22 C17 120.0(6) . .
C21 C22 H22 120.0 . .
C17 C22 H22 120.0 . .
N1 C23 C24 123.3(7) . .
N1 C23 H23 118.3 . .
C24 C23 H23 118.3 . .
C25 C24 C23 118.6(7) . .
C25 C24 H24 120.7 . .
C23 C24 H24 120.7 . .
C24 C25 C26 120.3(7) . .
C24 C25 H25 119.8 . .
C26 C25 H25 119.8 . .
C25 C26 C27 118.1(6) . .
C25 C26 C31 123.9(7) . .
C27 C26 C31 118.0(7) . .
N1 C27 C26 121.8(6) . .
N1 C27 C28 117.3(5) . .
C26 C27 C28 120.7(5) . .
N2 C28 C29 121.7(6) . .
N2 C28 C27 119.4(5) . .
C29 C28 C27 118.9(5) . .
C32 C29 C28 117.3(6) . .
C32 C29 C30 123.9(6) . .
C28 C29 C30 118.7(7) . .
C31 C30 C29 122.1(8) . .
C31 C30 H30 118.9 . .
C29 C30 H30 118.9 . .
C30 C31 C26 121.5(8) . .
C30 C31 H31 119.2 . .
C26 C31 H31 119.2 . .
C33 C32 C29 120.4(6) . .
C33 C32 H32 119.8 . .
C29 C32 H32 119.8 . .
C32 C33 C34 119.0(7) . .
C32 C33 H33 120.5 . .
C34 C33 H33 120.5 . .
N2 C34 C33 122.7(6) . .
N2 C34 H34 118.6 . .
C33 C34 H34 118.6 . .
C23 N1 C27 117.8(5) . .
C23 N1 Tb1 122.6(4) . .
C27 N1 Tb1 119.6(4) . .
C34 N2 C28 118.8(5) . .
C34 N2 Tb1 121.5(4) . .
C28 N2 Tb1 119.4(4) . .
C1 O1 Tb1 93.7(3) . .
C1 O2 Tb1 90.9(3) . .
C12 O4 Tb1 89.6(3) . 2_646
C12 O5 Tb1 94.9(3) . 2_646
Tb1 O7 Tb1 109.87(14) 3_666 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O7 2.252(3) 3_666
Tb1 O7 2.270(3) .
Tb1 O5 2.400(4) 2_656
Tb1 O1 2.411(4) .
Tb1 O2 2.465(4) .
Tb1 O4 2.517(4) 2_656
Tb1 N2 2.560(4) .
Tb1 N1 2.574(4) .
C1 O1 1.255(6) .
C1 O2 1.263(6) .
C1 C2 1.496(7) .
C2 C3 1.391(7) .
C2 C4 1.398(7) .
C3 C13 1.385(7) .
C3 H3 0.9300 .
C4 C15 1.395(7) .
C4 C5 1.527(7) .
C5 O3 1.212(7) .
C5 C6 1.498(8) .
C6 C7 1.384(9) .
C6 C11 1.392(9) .
C7 C8 1.395(10) .
C7 H7 0.9300 .
C8 C9 1.352(12) .
C8 H8 0.9300 .
C9 C10 1.354(12) .
C9 H9 0.9300 .
C10 C11 1.420(11) .
C10 H10 0.9300 .
C11 H11 0.9300 .
C12 O4 1.256(6) .
C12 O5 1.262(7) .
C12 C13 1.506(7) .
C12 Tb1 2.804(5) 2_646
C13 C14 1.394(8) .
C14 C15 1.393(8) .
C14 C16 1.509(7) .
C15 H15 0.9300 .
C16 O6 1.220(7) .
C16 C17 1.480(7) .
C17 C22 1.395(8) .
C17 C18 1.396(8) .
C18 C19 1.382(9) .
C18 H18 0.9300 .
C19 C20 1.357(11) .
C19 H19 0.9300 .
C20 C21 1.382(11) .
C20 H20 0.9300 .
C21 C22 1.371(9) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 N1 1.318(8) .
C23 C24 1.405(10) .
C23 H23 0.9300 .
C24 C25 1.352(12) .
C24 H24 0.9300 .
C25 C26 1.387(11) .
C25 H25 0.9300 .
C26 C27 1.400(8) .
C26 C31 1.448(11) .
C27 N1 1.370(7) .
C27 C28 1.432(8) .
C28 N2 1.357(7) .
C28 C29 1.419(8) .
C29 C32 1.398(11) .
C29 C30 1.424(10) .
C30 C31 1.317(11) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 C33 1.353(11) .
C32 H32 0.9300 .
C33 C34 1.404(8) .
C33 H33 0.9300 .
C34 N2 1.323(8) .
C34 H34 0.9300 .
O4 Tb1 2.517(4) 2_646
O5 Tb1 2.400(4) 2_646
O7 Tb1 2.252(3) 3_666
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
O7 Tb1 C1 O1 -43.2(4) 3_666 .
O7 Tb1 C1 O1 -114.7(3) . .
O5 Tb1 C1 O1 91.8(4) 2_656 .
O2 Tb1 C1 O1 -177.3(5) . .
O4 Tb1 C1 O1 43.7(4) 2_656 .
N2 Tb1 C1 O1 164.2(3) . .
N1 Tb1 C1 O1 140.2(8) . .
C12 Tb1 C1 O1 68.9(4) 2_656 .
Tb1 Tb1 C1 O1 -79.6(3) 3_666 .
O7 Tb1 C1 O2 134.1(3) 3_666 .
O7 Tb1 C1 O2 62.7(3) . .
O5 Tb1 C1 O2 -90.9(3) 2_656 .
O1 Tb1 C1 O2 177.3(5) . .
O4 Tb1 C1 O2 -139.0(3) 2_656 .
N2 Tb1 C1 O2 -18.5(3) . .
N1 Tb1 C1 O2 -42.4(10) . .
C12 Tb1 C1 O2 -113.8(3) 2_656 .
Tb1 Tb1 C1 O2 97.7(3) 3_666 .
O1 C1 C2 C3 14.8(7) . .
O2 C1 C2 C3 -163.6(5) . .
O1 C1 C2 C4 -166.1(5) . .
O2 C1 C2 C4 15.5(8) . .
C4 C2 C3 C13 -2.8(8) . .
C1 C2 C3 C13 176.3(5) . .
C3 C2 C4 C15 3.4(8) . .
C1 C2 C4 C15 -175.7(5) . .
C3 C2 C4 C5 -174.8(5) . .
C1 C2 C4 C5 6.1(8) . .
C15 C4 C5 O3 61.5(7) . .
C2 C4 C5 O3 -120.2(6) . .
C15 C4 C5 C6 -113.0(6) . .
C2 C4 C5 C6 65.2(7) . .
O3 C5 C6 C7 -167.0(6) . .
C4 C5 C6 C7 7.3(8) . .
O3 C5 C6 C11 11.9(9) . .
C4 C5 C6 C11 -173.8(5) . .
C11 C6 C7 C8 0.6(9) . .
C5 C6 C7 C8 179.5(6) . .
C6 C7 C8 C9 0.8(11) . .
C7 C8 C9 C10 -1.7(13) . .
C8 C9 C10 C11 1.1(14) . .
C7 C6 C11 C10 -1.1(9) . .
C5 C6 C11 C10 180.0(6) . .
C9 C10 C11 C6 0.2(11) . .
C2 C3 C13 C14 -0.3(8) . .
C2 C3 C13 C12 174.1(5) . .
O4 C12 C13 C3 161.0(5) . .
O5 C12 C13 C3 -22.7(7) . .
Tb1 C12 C13 C3 -83(2) 2_646 .
O4 C12 C13 C14 -24.7(8) . .
O5 C12 C13 C14 151.6(5) . .
Tb1 C12 C13 C14 91(2) 2_646 .
C3 C13 C14 C15 2.9(8) . .
C12 C13 C14 C15 -171.3(5) . .
C3 C13 C14 C16 179.6(5) . .
C12 C13 C14 C16 5.4(8) . .
C13 C14 C15 C4 -2.4(8) . .
C16 C14 C15 C4 -179.4(5) . .
C2 C4 C15 C14 -0.8(8) . .
C5 C4 C15 C14 177.6(5) . .
C15 C14 C16 O6 82.6(7) . .
C13 C14 C16 O6 -94.2(8) . .
C15 C14 C16 C17 -91.9(6) . .
C13 C14 C16 C17 91.3(7) . .
O6 C16 C17 C22 176.7(6) . .
C14 C16 C17 C22 -9.0(8) . .
O6 C16 C17 C18 -4.3(9) . .
C14 C16 C17 C18 170.0(5) . .
C22 C17 C18 C19 -1.6(10) . .
C16 C17 C18 C19 179.4(6) . .
C17 C18 C19 C20 0.7(12) . .
C18 C19 C20 C21 1.1(13) . .
C19 C20 C21 C22 -2.1(12) . .
C20 C21 C22 C17 1.1(11) . .
C18 C17 C22 C21 0.6(9) . .
C16 C17 C22 C21 179.7(6) . .
N1 C23 C24 C25 0.2(14) . .
C23 C24 C25 C26 0.3(14) . .
C24 C25 C26 C27 1.1(13) . .
C24 C25 C26 C31 -176.7(9) . .
C25 C26 C27 N1 -3.2(10) . .
C31 C26 C27 N1 174.7(6) . .
C25 C26 C27 C28 -177.8(7) . .
C31 C26 C27 C28 0.2(10) . .
N1 C27 C28 N2 4.3(8) . .
C26 C27 C28 N2 179.1(6) . .
N1 C27 C28 C29 -175.7(5) . .
C26 C27 C28 C29 -0.8(9) . .
N2 C28 C29 C32 0.3(9) . .
C27 C28 C29 C32 -179.8(6) . .
N2 C28 C29 C30 -178.8(6) . .
C27 C28 C29 C30 1.2(9) . .
C32 C29 C30 C31 -179.9(8) . .
C28 C29 C30 C31 -0.9(11) . .
C29 C30 C31 C26 0.2(13) . .
C25 C26 C31 C30 178.0(8) . .
C27 C26 C31 C30 0.2(11) . .
C28 C29 C32 C33 0.3(11) . .
C30 C29 C32 C33 179.3(7) . .
C29 C32 C33 C34 -0.6(12) . .
C32 C33 C34 N2 0.4(11) . .
C24 C23 N1 C27 -2.2(11) . .
C24 C23 N1 Tb1 176.4(7) . .
C26 C27 N1 C23 3.7(9) . .
C28 C27 N1 C23 178.4(6) . .
C26 C27 N1 Tb1 -175.0(5) . .
C28 C27 N1 Tb1 -0.2(7) . .
O7 Tb1 N1 C23 28.4(6) 3_666 .
O7 Tb1 N1 C23 98.8(6) . .
O5 Tb1 N1 C23 -107.0(6) 2_656 .
O1 Tb1 N1 C23 -34.2(8) . .
O2 Tb1 N1 C23 173.5(5) . .
O4 Tb1 N1 C23 -55.4(6) 2_656 .
N2 Tb1 N1 C23 179.4(6) . .
C1 Tb1 N1 C23 -154.9(8) . .
C12 Tb1 N1 C23 -82.1(6) 2_656 .
Tb1 Tb1 N1 C23 63.8(6) 3_666 .
O7 Tb1 N1 C27 -152.9(4) 3_666 .
O7 Tb1 N1 C27 -82.6(4) . .
O5 Tb1 N1 C27 71.6(4) 2_656 .
O1 Tb1 N1 C27 144.4(5) . .
O2 Tb1 N1 C27 -7.9(6) . .
O4 Tb1 N1 C27 123.3(4) 2_656 .
N2 Tb1 N1 C27 -2.0(4) . .
C1 Tb1 N1 C27 23.7(11) . .
C12 Tb1 N1 C27 96.5(4) 2_656 .
Tb1 Tb1 N1 C27 -117.6(4) 3_666 .
C33 C34 N2 C28 0.1(9) . .
C33 C34 N2 Tb1 -173.9(5) . .
C29 C28 N2 C34 -0.5(8) . .
C27 C28 N2 C34 179.6(5) . .
C29 C28 N2 Tb1 173.7(4) . .
C27 C28 N2 Tb1 -6.3(7) . .
O7 Tb1 N2 C34 -134.6(4) 3_666 .
O7 Tb1 N2 C34 -92.2(5) . .
O5 Tb1 N2 C34 80.7(5) 2_656 .
O1 Tb1 N2 C34 12.5(5) . .
O2 Tb1 N2 C34 -5.3(4) . .
O4 Tb1 N2 C34 119.0(5) 2_656 .
N1 Tb1 N2 C34 178.2(5) . .
C1 Tb1 N2 C34 3.1(5) . .
C12 Tb1 N2 C34 100.6(5) 2_656 .
Tb1 Tb1 N2 C34 -109.0(4) 3_666 .
O7 Tb1 N2 C28 51.4(5) 3_666 .
O7 Tb1 N2 C28 93.8(4) . .
O5 Tb1 N2 C28 -93.2(4) 2_656 .
O1 Tb1 N2 C28 -161.5(4) . .
O2 Tb1 N2 C28 -179.3(4) . .
O4 Tb1 N2 C28 -54.9(4) 2_656 .
N1 Tb1 N2 C28 4.2(4) . .
C1 Tb1 N2 C28 -170.9(4) . .
C12 Tb1 N2 C28 -73.4(4) 2_656 .
Tb1 Tb1 N2 C28 77.1(4) 3_666 .
O2 C1 O1 Tb1 -2.8(6) . .
C2 C1 O1 Tb1 178.8(4) . .
O7 Tb1 O1 C1 138.5(3) 3_666 .
O7 Tb1 O1 C1 71.1(4) . .
O5 Tb1 O1 C1 -85.1(3) 2_656 .
O2 Tb1 O1 C1 1.5(3) . .
O4 Tb1 O1 C1 -138.4(3) 2_656 .
N2 Tb1 O1 C1 -20.5(4) . .
N1 Tb1 O1 C1 -158.9(4) . .
C12 Tb1 O1 C1 -111.7(3) 2_656 .
Tb1 Tb1 O1 C1 105.5(3) 3_666 .
O1 C1 O2 Tb1 2.7(5) . .
C2 C1 O2 Tb1 -178.9(4) . .
O7 Tb1 O2 C1 -55.2(3) 3_666 .
O7 Tb1 O2 C1 -118.0(3) . .
O5 Tb1 O2 C1 85.8(3) 2_656 .
O1 Tb1 O2 C1 -1.5(3) . .
O4 Tb1 O2 C1 50.5(4) 2_656 .
N2 Tb1 O2 C1 162.0(3) . .
N1 Tb1 O2 C1 167.4(3) . .
C12 Tb1 O2 C1 71.3(3) 2_656 .
Tb1 Tb1 O2 C1 -89.7(3) 3_666 .
O5 C12 O4 Tb1 -6.5(5) . 2_646
C13 C12 O4 Tb1 169.6(4) . 2_646
O4 C12 O5 Tb1 6.8(6) . 2_646
C13 C12 O5 Tb1 -169.4(4) . 2_646
O7 Tb1 O7 Tb1 0.0 3_666 3_666
O5 Tb1 O7 Tb1 -167.4(3) 2_656 3_666
O1 Tb1 O7 Tb1 77.88(17) . 3_666
O2 Tb1 O7 Tb1 127.11(16) . 3_666
O4 Tb1 O7 Tb1 -35.2(3) 2_656 3_666
N2 Tb1 O7 Tb1 -151.82(18) . 3_666
N1 Tb1 O7 Tb1 -87.22(17) . 3_666
C1 Tb1 O7 Tb1 103.30(17) . 3_666
C12 Tb1 O7 Tb1 -90.8(5) 2_656 3_666
