#------------------------------------------------------------------------------
#$Date: 2016-02-04 02:13:58 +0200 (Thu, 04 Feb 2016) $
#$Revision: 175547 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/46/4344647.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_4344647
loop_
_publ_author_name
'An, Ran'
'Zhao, Hui'
'Hu, Huai-Ming'
'Wang, Xiaofang'
'Yang, Meng-Lin'
'Xue, Ganglin'
_publ_contact_author
;
    Porf. Huai-Ming Hu
    College of Chemistry and Materials Science
    Northwest University
    Xi'an 710127
    People's Republic of China
;
_publ_section_title
;
 Synthesis, Structure, White-Light Emission, and Temperature Recognition
 Properties of Eu/Tb Mixed Coordination Polymers.
;
_journal_issue                   2
_journal_name_full               'Inorganic chemistry'
_journal_page_first              871
_journal_page_last               876
_journal_paper_doi               10.1021/acs.inorgchem.5b02375
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C24 H19 N4 O8 S Tb'
_chemical_formula_sum            'C24 H19 N4 O8 S Tb'
_chemical_formula_weight         682.42
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-12-17 # Formatted by publCIF

;
_cell_angle_alpha                94.593(2)
_cell_angle_beta                 91.047(3)
_cell_angle_gamma                98.524(2)
_cell_formula_units_Z            2
_cell_length_a                   8.9396(14)
_cell_length_b                   9.0617(14)
_cell_length_c                   14.447(2)
_cell_measurement_reflns_used    2141
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.78
_cell_measurement_theta_min      2.74
_cell_volume                     1153.1(3)
_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, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_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  0.0255
_diffrn_reflns_av_sigmaI/netI    0.0559
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5698
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.30
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.219
_exptl_absorpt_correction_T_max  0.698
_exptl_absorpt_correction_T_min  0.522
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.965
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             672
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.880
_refine_diff_density_min         -0.689
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         3987
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0267P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0654
_refine_ls_wR_factor_ref         0.0686
_reflns_number_gt                3516
_reflns_number_total             3987
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b02375_si_005.cif
_cod_data_source_block           nw1743_0m
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4344647
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Tb1 Tb 0.55382(3) 0.06407(3) 0.152100(16) 0.02034(9) Uani 1 1 d .
S1 S 0.03916(14) -0.08184(14) 0.76585(9) 0.0254(3) Uani 1 1 d .
N1 N 0.4289(4) 0.1180(4) 0.3059(3) 0.0232(9) Uani 1 1 d .
N2 N 0.5460(4) -0.1361(4) 0.2682(3) 0.0234(9) Uani 1 1 d .
N3 N 0.1757(5) -0.1264(5) 0.5667(3) 0.0268(10) Uani 1 1 d .
H3A H 0.1231 -0.0639 0.5932 0.032 Uiso 1 1 calc R
N4 N 0.2751(5) -0.3361(4) 0.5362(3) 0.0253(9) Uani 1 1 d .
O1 O 0.2020(4) -0.0504(4) 0.7880(2) 0.0319(9) Uani 1 1 d .
O2 O -0.0005(4) -0.0003(4) 0.6891(2) 0.0324(9) Uani 1 1 d .
O3 O -0.0517(4) -0.0614(4) 0.8456(2) 0.0386(9) Uani 1 1 d .
O4 O 0.6650(4) 0.3212(4) 0.1886(2) 0.0303(8) Uani 1 1 d .
O5 O 0.7116(4) 0.2181(4) 0.0519(2) 0.0323(9) Uani 1 1 d .
O6 O 0.6236(4) 0.7859(4) -0.1005(2) 0.0284(8) Uani 1 1 d .
O7 O 0.5998(4) 0.8899(4) 0.0406(3) 0.0353(9) Uani 1 1 d .
C1 C 0.3799(6) 0.2466(6) 0.3268(3) 0.0272(12) Uani 1 1 d .
H1 H 0.4044 0.3230 0.2879 0.033 Uiso 1 1 calc R
C2 C 0.2932(5) 0.2749(5) 0.4042(3) 0.0260(12) Uani 1 1 d .
H2 H 0.2632 0.3682 0.4170 0.031 Uiso 1 1 calc R
C3 C 0.2539(6) 0.1627(5) 0.4603(3) 0.0257(11) Uani 1 1 d .
H3 H 0.1937 0.1777 0.5110 0.031 Uiso 1 1 calc R
C4 C 0.3036(5) 0.0259(5) 0.4417(3) 0.0204(11) Uani 1 1 d .
C5 C 0.2719(5) -0.1012(5) 0.4937(3) 0.0224(11) Uani 1 1 d .
C6 C 0.3306(5) -0.2318(5) 0.4769(3) 0.0217(11) Uani 1 1 d .
C7 C 0.4318(5) -0.2488(5) 0.4010(3) 0.0216(11) Uani 1 1 d .
C8 C 0.5048(6) -0.3730(5) 0.3828(3) 0.0249(11) Uani 1 1 d .
H8 H 0.4916 -0.4519 0.4207 0.030 Uiso 1 1 calc R
C9 C 0.5966(6) -0.3770(6) 0.3078(3) 0.0297(13) Uani 1 1 d .
H9 H 0.6470 -0.4583 0.2940 0.036 Uiso 1 1 calc R
C10 C 0.6125(6) -0.2560(6) 0.2527(4) 0.0288(12) Uani 1 1 d .
H10 H 0.6740 -0.2603 0.2016 0.035 Uiso 1 1 calc R
C11 C 0.4565(5) -0.1298(5) 0.3435(3) 0.0205(10) Uani 1 1 d .
C12 C 0.3938(5) 0.0071(5) 0.3635(3) 0.0192(10) Uani 1 1 d .
C13 C 0.1804(5) -0.2686(5) 0.5882(3) 0.0242(11) Uani 1 1 d .
C14 C 0.0769(5) -0.3445(5) 0.6543(3) 0.0241(11) Uani 1 1 d .
C15 C 0.0449(6) -0.5009(6) 0.6359(4) 0.0315(12) Uani 1 1 d .
H15 H 0.0933 -0.5468 0.5876 0.038 Uiso 1 1 calc R
C16 C -0.0570(6) -0.5890(6) 0.6877(4) 0.0366(14) Uani 1 1 d .
H16 H -0.0753 -0.6924 0.6752 0.044 Uiso 1 1 calc R
C17 C -0.1317(6) -0.5188(6) 0.7592(4) 0.0363(14) Uani 1 1 d .
H17 H -0.2019 -0.5754 0.7938 0.044 Uiso 1 1 calc R
C18 C -0.1007(5) -0.3658(6) 0.7780(3) 0.0268(12) Uani 1 1 d .
H18 H -0.1513 -0.3202 0.8253 0.032 Uiso 1 1 calc R
C19 C 0.0040(5) -0.2780(5) 0.7282(3) 0.0233(11) Uani 1 1 d .
C20 C 0.7251(6) 0.3298(6) 0.1105(4) 0.0283(12) Uani 1 1 d .
C21 C 0.8105(6) 0.4773(5) 0.0873(4) 0.0337(13) Uani 1 1 d .
H21A H 0.8968 0.4604 0.0504 0.040 Uiso 1 1 calc R
H21B H 0.8476 0.5370 0.1441 0.040 Uiso 1 1 calc R
C22 C 0.7066(6) 0.5607(5) 0.0333(4) 0.0290(12) Uani 1 1 d .
H22A H 0.6133 0.5633 0.0662 0.035 Uiso 1 1 calc R
H22B H 0.6814 0.5071 -0.0271 0.035 Uiso 1 1 calc R
C23 C 0.7811(5) 0.7234(5) 0.0201(3) 0.0242(11) Uani 1 1 d .
H23A H 0.8232 0.7726 0.0789 0.029 Uiso 1 1 calc R
H23B H 0.8624 0.7224 -0.0235 0.029 Uiso 1 1 calc R
C24 C 0.6620(6) 0.8062(5) -0.0165(3) 0.0230(11) Uani 1 1 d .
O8 O 0.3074(4) -0.0980(4) 0.1307(3) 0.0325(9) Uani 1 1 d D
H8A H 0.283(6) -0.153(5) 0.081(2) 0.039 Uiso 1 1 d D
H8B H 0.259(5) -0.034(5) 0.154(4) 0.039 Uiso 1 1 d 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'
S S 0.1246 0.1234 '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 O1 86.01(13) 1_545 2_656
O7 Tb1 O6 112.02(13) 1_545 2_665
O1 Tb1 O6 148.54(12) 2_656 2_665
O7 Tb1 O4 132.16(12) 1_545 .
O1 Tb1 O4 75.62(12) 2_656 .
O6 Tb1 O4 73.23(12) 2_665 .
O7 Tb1 O5 79.37(12) 1_545 .
O1 Tb1 O5 78.35(12) 2_656 .
O6 Tb1 O5 79.98(12) 2_665 .
O4 Tb1 O5 54.00(11) . .
O7 Tb1 O8 77.55(12) 1_545 .
O1 Tb1 O8 138.08(12) 2_656 .
O6 Tb1 O8 72.79(12) 2_665 .
O4 Tb1 O8 141.79(12) . .
O5 Tb1 O8 134.01(12) . .
O7 Tb1 N1 146.90(13) 1_545 .
O1 Tb1 N1 98.02(12) 2_656 .
O6 Tb1 N1 80.94(12) 2_665 .
O4 Tb1 N1 80.15(12) . .
O5 Tb1 N1 133.69(12) . .
O8 Tb1 N1 77.76(12) . .
O7 Tb1 N2 88.13(13) 1_545 .
O1 Tb1 N2 68.78(12) 2_656 .
O6 Tb1 N2 134.27(12) 2_665 .
O4 Tb1 N2 123.28(12) . .
O5 Tb1 N2 145.55(12) . .
O8 Tb1 N2 72.35(13) . .
N1 Tb1 N2 63.47(12) . .
O3 S1 O2 113.0(2) . .
O3 S1 O1 113.0(2) . .
O2 S1 O1 111.2(2) . .
O3 S1 C19 106.6(2) . .
O2 S1 C19 107.8(2) . .
O1 S1 C19 104.7(2) . .
C1 N1 C12 117.8(4) . .
C1 N1 Tb1 121.5(3) . .
C12 N1 Tb1 120.1(3) . .
C10 N2 C11 117.6(4) . .
C10 N2 Tb1 122.1(3) . .
C11 N2 Tb1 119.8(3) . .
C13 N3 C5 106.8(4) . .
C13 N3 H3A 126.6 . .
C5 N3 H3A 126.6 . .
C13 N4 C6 104.2(4) . .
S1 O1 Tb1 162.8(2) . 2_656
C20 O4 Tb1 92.8(3) . .
C20 O5 Tb1 92.3(3) . .
C24 O6 Tb1 116.0(3) . 2_665
C24 O7 Tb1 164.7(3) . 1_565
N1 C1 C2 123.8(5) . .
N1 C1 H1 118.1 . .
C2 C1 H1 118.1 . .
C3 C2 C1 118.4(5) . .
C3 C2 H2 120.8 . .
C1 C2 H2 120.8 . .
C2 C3 C4 119.9(5) . .
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 . .
C3 C4 C12 118.3(4) . .
C3 C4 C5 126.3(4) . .
C12 C4 C5 115.4(4) . .
C6 C5 N3 104.9(4) . .
C6 C5 C4 124.8(4) . .
N3 C5 C4 130.2(4) . .
C5 C6 N4 111.5(4) . .
C5 C6 C7 120.3(4) . .
N4 C6 C7 128.1(4) . .
C8 C7 C11 119.3(4) . .
C8 C7 C6 124.2(4) . .
C11 C7 C6 116.5(4) . .
C9 C8 C7 118.8(5) . .
C9 C8 H8 120.6 . .
C7 C8 H8 120.6 . .
C8 C9 C10 118.5(5) . .
C8 C9 H9 120.8 . .
C10 C9 H9 120.8 . .
N2 C10 C9 124.4(5) . .
N2 C10 H10 117.8 . .
C9 C10 H10 117.8 . .
N2 C11 C7 121.4(4) . .
N2 C11 C12 116.8(4) . .
C7 C11 C12 121.8(4) . .
N1 C12 C4 121.6(4) . .
N1 C12 C11 117.4(4) . .
C4 C12 C11 120.9(4) . .
N4 C13 N3 112.5(4) . .
N4 C13 C14 124.1(4) . .
N3 C13 C14 123.0(4) . .
C19 C14 C15 118.0(4) . .
C19 C14 C13 127.6(4) . .
C15 C14 C13 114.3(4) . .
C16 C15 C14 122.0(5) . .
C16 C15 H15 119.0 . .
C14 C15 H15 119.0 . .
C15 C16 C17 118.7(5) . .
C15 C16 H16 120.7 . .
C17 C16 H16 120.7 . .
C18 C17 C16 119.8(5) . .
C18 C17 H17 120.1 . .
C16 C17 H17 120.1 . .
C17 C18 C19 121.7(5) . .
C17 C18 H18 119.1 . .
C19 C18 H18 119.1 . .
C18 C19 C14 119.8(5) . .
C18 C19 S1 116.1(4) . .
C14 C19 S1 124.1(4) . .
O5 C20 O4 120.9(5) . .
O5 C20 C21 120.1(5) . .
O4 C20 C21 119.0(5) . .
C20 C21 C22 109.7(4) . .
C20 C21 H21A 109.7 . .
C22 C21 H21A 109.7 . .
C20 C21 H21B 109.7 . .
C22 C21 H21B 109.7 . .
H21A C21 H21B 108.2 . .
C21 C22 C23 111.9(4) . .
C21 C22 H22A 109.2 . .
C23 C22 H22A 109.2 . .
C21 C22 H22B 109.2 . .
C23 C22 H22B 109.2 . .
H22A C22 H22B 107.9 . .
C24 C23 C22 108.3(4) . .
C24 C23 H23A 110.0 . .
C22 C23 H23A 110.0 . .
C24 C23 H23B 110.0 . .
C22 C23 H23B 110.0 . .
H23A C23 H23B 108.4 . .
O6 C24 O7 122.5(5) . .
O6 C24 C23 119.2(4) . .
O7 C24 C23 118.3(4) . .
Tb1 O8 H8A 122(4) . .
Tb1 O8 H8B 94(4) . .
H8A O8 H8B 125(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O7 2.250(3) 1_545
Tb1 O1 2.358(3) 2_656
Tb1 O6 2.383(3) 2_665
Tb1 O4 2.407(3) .
Tb1 O5 2.419(3) .
Tb1 O8 2.460(4) .
Tb1 N1 2.550(4) .
Tb1 N2 2.562(4) .
S1 O3 1.437(3) .
S1 O2 1.447(4) .
S1 O1 1.465(3) .
S1 C19 1.797(5) .
N1 C1 1.320(6) .
N1 C12 1.360(6) .
N2 C10 1.319(6) .
N2 C11 1.365(6) .
N3 C13 1.356(6) .
N3 C5 1.384(6) .
N3 H3A 0.8600 .
N4 C13 1.325(6) .
N4 C6 1.371(6) .
O1 Tb1 2.358(3) 2_656
O4 C20 1.262(6) .
O5 C20 1.256(6) .
O6 C24 1.247(6) .
O6 Tb1 2.383(3) 2_665
O7 C24 1.267(6) .
O7 Tb1 2.250(3) 1_565
C1 C2 1.401(7) .
C1 H1 0.9300 .
C2 C3 1.361(7) .
C2 H2 0.9300 .
C3 C4 1.385(6) .
C3 H3 0.9300 .
C4 C12 1.415(6) .
C4 C5 1.422(7) .
C5 C6 1.370(7) .
C6 C7 1.448(6) .
C7 C8 1.393(7) .
C7 C11 1.407(6) .
C8 C9 1.372(6) .
C8 H8 0.9300 .
C9 C10 1.398(7) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.446(6) .
C13 C14 1.480(6) .
C14 C19 1.403(7) .
C14 C15 1.406(7) .
C15 C16 1.390(7) .
C15 H15 0.9300 .
C16 C17 1.401(8) .
C16 H16 0.9300 .
C17 C18 1.377(7) .
C17 H17 0.9300 .
C18 C19 1.387(6) .
C18 H18 0.9300 .
C20 C21 1.503(7) .
C21 C22 1.523(7) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.554(7) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.502(7) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
O8 H8A 0.85(2) .
O8 H8B 0.83(2) .
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 N1 C1 -150.7(3) 1_545 .
O1 Tb1 N1 C1 114.3(4) 2_656 .
O6 Tb1 N1 C1 -33.9(4) 2_665 .
O4 Tb1 N1 C1 40.5(4) . .
O5 Tb1 N1 C1 32.8(4) . .
O8 Tb1 N1 C1 -108.1(4) . .
N2 Tb1 N1 C1 175.7(4) . .
O7 Tb1 N1 C12 20.9(5) 1_545 .
O1 Tb1 N1 C12 -74.1(3) 2_656 .
O6 Tb1 N1 C12 137.7(3) 2_665 .
O4 Tb1 N1 C12 -147.9(3) . .
O5 Tb1 N1 C12 -155.6(3) . .
O8 Tb1 N1 C12 63.5(3) . .
N2 Tb1 N1 C12 -12.7(3) . .
O7 Tb1 N2 C10 22.4(4) 1_545 .
O1 Tb1 N2 C10 -64.1(4) 2_656 .
O6 Tb1 N2 C10 141.9(4) 2_665 .
O4 Tb1 N2 C10 -119.1(4) . .
O5 Tb1 N2 C10 -45.7(5) . .
O8 Tb1 N2 C10 99.9(4) . .
N1 Tb1 N2 C10 -175.2(4) . .
O7 Tb1 N2 C11 -149.7(3) 1_545 .
O1 Tb1 N2 C11 123.9(4) 2_656 .
O6 Tb1 N2 C11 -30.2(4) 2_665 .
O4 Tb1 N2 C11 68.9(4) . .
O5 Tb1 N2 C11 142.3(3) . .
O8 Tb1 N2 C11 -72.1(3) . .
N1 Tb1 N2 C11 12.7(3) . .
O3 S1 O1 Tb1 67.2(8) . 2_656
O2 S1 O1 Tb1 -164.4(7) . 2_656
C19 S1 O1 Tb1 -48.3(8) . 2_656
O7 Tb1 O4 C20 16.1(4) 1_545 .
O1 Tb1 O4 C20 86.9(3) 2_656 .
O6 Tb1 O4 C20 -88.7(3) 2_665 .
O5 Tb1 O4 C20 1.0(3) . .
O8 Tb1 O4 C20 -116.7(3) . .
N1 Tb1 O4 C20 -172.1(3) . .
N2 Tb1 O4 C20 138.9(3) . .
O7 Tb1 O5 C20 -169.7(3) 1_545 .
O1 Tb1 O5 C20 -81.6(3) 2_656 .
O6 Tb1 O5 C20 75.5(3) 2_665 .
O4 Tb1 O5 C20 -1.0(3) . .
O8 Tb1 O5 C20 129.4(3) . .
N1 Tb1 O5 C20 8.4(4) . .
N2 Tb1 O5 C20 -99.1(3) . .
C12 N1 C1 C2 -0.5(7) . .
Tb1 N1 C1 C2 171.3(4) . .
N1 C1 C2 C3 -1.5(7) . .
C1 C2 C3 C4 2.0(7) . .
C2 C3 C4 C12 -0.6(7) . .
C2 C3 C4 C5 -180.0(5) . .
C13 N3 C5 C6 -0.8(5) . .
C13 N3 C5 C4 176.7(5) . .
C3 C4 C5 C6 -175.7(5) . .
C12 C4 C5 C6 4.9(7) . .
C3 C4 C5 N3 7.2(8) . .
C12 C4 C5 N3 -172.2(4) . .
N3 C5 C6 N4 0.0(5) . .
C4 C5 C6 N4 -177.7(4) . .
N3 C5 C6 C7 177.0(4) . .
C4 C5 C6 C7 -0.7(7) . .
C13 N4 C6 C5 0.9(5) . .
C13 N4 C6 C7 -175.8(5) . .
C5 C6 C7 C8 175.4(5) . .
N4 C6 C7 C8 -8.2(8) . .
C5 C6 C7 C11 -4.2(7) . .
N4 C6 C7 C11 172.3(5) . .
C11 C7 C8 C9 -1.3(7) . .
C6 C7 C8 C9 179.1(4) . .
C7 C8 C9 C10 -0.2(7) . .
C11 N2 C10 C9 0.4(8) . .
Tb1 N2 C10 C9 -171.9(4) . .
C8 C9 C10 N2 0.7(8) . .
C10 N2 C11 C7 -2.0(7) . .
Tb1 N2 C11 C7 170.4(3) . .
C10 N2 C11 C12 175.5(4) . .
Tb1 N2 C11 C12 -12.1(5) . .
C8 C7 C11 N2 2.5(7) . .
C6 C7 C11 N2 -177.9(4) . .
C8 C7 C11 C12 -174.8(4) . .
C6 C7 C11 C12 4.7(7) . .
C1 N1 C12 C4 2.1(7) . .
Tb1 N1 C12 C4 -169.9(3) . .
C1 N1 C12 C11 -175.9(4) . .
Tb1 N1 C12 C11 12.2(5) . .
C3 C4 C12 N1 -1.5(7) . .
C5 C4 C12 N1 177.9(4) . .
C3 C4 C12 C11 176.4(4) . .
C5 C4 C12 C11 -4.2(6) . .
N2 C11 C12 N1 0.0(6) . .
C7 C11 C12 N1 177.5(4) . .
N2 C11 C12 C4 -178.0(4) . .
C7 C11 C12 C4 -0.5(7) . .
C6 N4 C13 N3 -1.5(6) . .
C6 N4 C13 C14 171.3(4) . .
C5 N3 C13 N4 1.5(6) . .
C5 N3 C13 C14 -171.4(4) . .
N4 C13 C14 C19 161.7(5) . .
N3 C13 C14 C19 -26.3(8) . .
N4 C13 C14 C15 -21.6(7) . .
N3 C13 C14 C15 150.4(5) . .
C19 C14 C15 C16 0.8(7) . .
C13 C14 C15 C16 -176.2(5) . .
C14 C15 C16 C17 1.2(8) . .
C15 C16 C17 C18 -1.4(8) . .
C16 C17 C18 C19 -0.4(8) . .
C17 C18 C19 C14 2.4(7) . .
C17 C18 C19 S1 -176.5(4) . .
C15 C14 C19 C18 -2.6(7) . .
C13 C14 C19 C18 174.0(5) . .
C15 C14 C19 S1 176.3(4) . .
C13 C14 C19 S1 -7.1(7) . .
O3 S1 C19 C18 1.8(4) . .
O2 S1 C19 C18 -119.7(4) . .
O1 S1 C19 C18 121.8(4) . .
O3 S1 C19 C14 -177.1(4) . .
O2 S1 C19 C14 61.4(5) . .
O1 S1 C19 C14 -57.1(4) . .
Tb1 O5 C20 O4 1.8(5) . .
Tb1 O5 C20 C21 -176.7(4) . .
Tb1 O4 C20 O5 -1.8(5) . .
Tb1 O4 C20 C21 176.7(4) . .
O5 C20 C21 C22 83.5(6) . .
O4 C20 C21 C22 -95.1(6) . .
C20 C21 C22 C23 171.6(4) . .
C21 C22 C23 C24 -169.0(4) . .
Tb1 O6 C24 O7 7.0(6) 2_665 .
Tb1 O6 C24 C23 -175.9(3) 2_665 .
Tb1 O7 C24 O6 -130.6(12) 1_565 .
Tb1 O7 C24 C23 52.3(15) 1_565 .
C22 C23 C24 O6 -78.6(5) . .
C22 C23 C24 O7 98.6(5) . .
