#------------------------------------------------------------------------------
#$Date: 2017-09-29 04:58:49 +0300 (Fri, 29 Sep 2017) $
#$Revision: 201487 $
#$URL: svn://www.crystallography.net/cod/cif/7/12/07/7120716.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_7120716
loop_
_publ_author_name
'Yue, Dan'
'Zhao, Dian'
'Zhang, Jun'
'Zhang, Ling'
'Jiang, Ke'
'Zhang, Xin'
'Cui, Yuanjing'
'Yang, Yu'
'Chen, Banglin'
'Qian, Guodong'
_publ_section_title
;
 A luminescent cerium metal--organic framework for the turn-on sensing of
 ascorbic acid
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC05805E
_journal_year                    2017
_chemical_formula_sum            'C22 H10 O8 Tb'
_chemical_formula_weight         561.22
_chemical_name_systematic        ZJU-136-Tb
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-09-18 deposited with the CCDC.
2017-09-20 downloaded from the CCDC.
;
_cell_angle_alpha                98.740(6)
_cell_angle_beta                 99.894(7)
_cell_angle_gamma                106.303(4)
_cell_formula_units_Z            2
_cell_length_a                   9.933(2)
_cell_length_b                   11.292(3)
_cell_length_c                   13.383(3)
_cell_measurement_reflns_used    4226
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      2.736
_cell_measurement_theta_min      25.655
_cell_volume                     1387.1(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.0710
_diffrn_measured_fraction_theta_full 0.921
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0458
_diffrn_reflns_av_unetI/netI     0.0644
_diffrn_reflns_Laue_measured_fraction_full 0.921
_diffrn_reflns_Laue_measured_fraction_max 0.921
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10407
_diffrn_reflns_point_group_measured_fraction_full 0.921
_diffrn_reflns_point_group_measured_fraction_max 0.921
_diffrn_reflns_theta_full        24.993
_diffrn_reflns_theta_max         24.993
_diffrn_reflns_theta_min         1.580
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.584
_exptl_absorpt_correction_T_max  0.782
_exptl_absorpt_correction_T_min  0.6156
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_description       block
_exptl_crystal_F_000             542
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.055
_refine_diff_density_min         -0.979
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4498
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0746P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1143
_refine_ls_wR_factor_ref         0.1229
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3772
_reflns_number_total             4498
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7cc05805e2.cif
_cod_data_source_block           ZJU-136-Tb
_cod_database_code               7120716
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.564
_shelx_estimated_absorpt_t_max   0.782
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Tb1 Tb 0.60968(3) 0.63821(3) 0.62996(2) 0.01626(14) Uani 1 1 d . .
O1 O 0.3750(5) 0.5114(4) 0.5083(3) 0.0201(10) Uani 1 1 d . .
O2 O 0.3817(5) 0.6907(5) 0.5992(4) 0.0296(12) Uani 1 1 d . .
O3 O 0.3259(5) 1.1350(5) 0.3348(4) 0.0277(11) Uani 1 1 d . .
O4 O 0.3230(6) 1.2258(5) 0.4897(4) 0.0330(12) Uani 1 1 d . .
O5 O 0.4507(5) 0.5131(5) 0.7266(4) 0.0291(12) Uani 1 1 d . .
O6 O 0.6159(5) 0.6931(5) 0.8137(4) 0.0316(12) Uani 1 1 d . .
O7 O -0.1325(5) 0.6979(5) 0.6952(4) 0.0319(12) Uani 1 1 d . .
O8 O -0.2566(5) 0.5122(5) 0.7119(4) 0.0310(12) Uani 1 1 d . .
C1 C 0.3100(7) 0.5878(7) 0.5440(6) 0.0243(16) Uani 1 1 d . .
C2 C 0.1491(7) 0.5440(7) 0.5149(5) 0.0225(15) Uani 1 1 d . .
C3 C 0.0769(6) 0.4203(6) 0.5198(5) 0.0142(13) Uani 1 1 d . .
H3 H 0.1307 0.3668 0.5333 0.017 Uiso 1 1 calc R U
C4 C 0.0721(7) 0.6263(6) 0.4945(5) 0.0176(14) Uani 1 1 d . .
C5 C 0.1360(7) 0.7541(7) 0.4802(5) 0.0211(15) Uani 1 1 d . .
C6 C 0.2308(8) 0.7804(7) 0.4140(7) 0.0350(19) Uani 1 1 d . .
H6 H 0.2583 0.7151 0.3813 0.042 Uiso 1 1 calc R U
C7 C 0.1069(7) 0.8574(6) 0.5344(6) 0.0268(16) Uani 1 1 d . .
H7 H 0.0469 0.8445 0.5806 0.032 Uiso 1 1 calc R U
C8 C 0.1676(9) 0.9805(7) 0.5194(6) 0.0347(18) Uani 1 1 d . .
H8 H 0.1502 1.0482 0.5579 0.042 Uiso 1 1 calc R U
C9 C 0.2834(9) 0.8971(7) 0.3962(6) 0.0364(19) Uani 1 1 d . .
H9 H 0.3413 0.9098 0.3487 0.044 Uiso 1 1 calc R U
C10 C 0.2508(7) 1.0011(7) 0.4497(6) 0.0273(16) Uani 1 1 d . .
C11 C 0.3047(8) 1.1266(7) 0.4230(6) 0.0297(17) Uani 1 1 d . .
C12 C 0.5261(8) 0.5887(8) 0.8098(5) 0.0288(17) Uani 1 1 d . .
C13 C 0.5072(7) 0.5489(7) 0.9090(5) 0.0260(16) Uani 1 1 d . .
C14 C 0.3727(8) 0.5156(8) 0.9397(6) 0.0320(18) Uani 1 1 d . .
C15 C 0.3701(7) 0.4665(8) 1.0272(5) 0.0292(18) Uani 1 1 d . .
H15 H 0.2825 0.4413 1.0464 0.035 Uiso 1 1 calc R U
C16 C 0.2450(7) 0.5402(7) 0.8866(5) 0.0243(16) Uani 1 1 d . .
C17 C 0.2524(8) 0.6444(8) 0.8433(6) 0.0362(19) Uani 1 1 d . .
H17 H 0.3416 0.7033 0.8490 0.043 Uiso 1 1 calc R U
C18 C 0.1072(8) 0.4543(9) 0.8795(7) 0.042(2) Uani 1 1 d . .
H18 H 0.0977 0.3864 0.9122 0.051 Uiso 1 1 calc R U
C19 C 0.1291(7) 0.6631(7) 0.7915(5) 0.0267(16) Uani 1 1 d . .
H19 H 0.1369 0.7338 0.7625 0.032 Uiso 1 1 calc R U
C20 C -0.0138(8) 0.4727(9) 0.8228(7) 0.041(2) Uani 1 1 d . .
H20 H -0.1028 0.4113 0.8122 0.050 Uiso 1 1 calc R U
C21 C -0.0069(8) 0.5767(7) 0.7825(5) 0.0287(17) Uani 1 1 d . .
C22 C -0.1387(7) 0.5979(7) 0.7266(6) 0.0272(16) 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'
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
O1 Tb1 O3 132.87(16) 2_666 2_676
O1 Tb1 O7 89.73(16) 2_666 1_655
O3 Tb1 O7 78.88(17) 2_676 1_655
O1 Tb1 O6 147.15(17) 2_666 .
O3 Tb1 O6 76.62(16) 2_676 .
O7 Tb1 O6 81.78(17) 1_655 .
O1 Tb1 O4 80.00(17) 2_666 2_676
O3 Tb1 O4 53.47(17) 2_676 2_676
O7 Tb1 O4 83.31(17) 1_655 2_676
O6 Tb1 O4 129.77(18) . 2_676
O1 Tb1 O8 74.61(16) 2_666 1_655
O3 Tb1 O8 126.64(17) 2_676 1_655
O7 Tb1 O8 53.12(18) 1_655 1_655
O6 Tb1 O8 74.96(17) . 1_655
O4 Tb1 O8 128.57(17) 2_676 1_655
O1 Tb1 O2 113.41(16) 2_666 .
O3 Tb1 O2 73.06(17) 2_676 .
O7 Tb1 O2 151.40(18) 1_655 .
O6 Tb1 O2 86.42(17) . .
O4 Tb1 O2 84.46(17) 2_676 .
O8 Tb1 O2 146.77(18) 1_655 .
O1 Tb1 O5 105.18(17) 2_666 .
O3 Tb1 O5 120.62(17) 2_676 .
O7 Tb1 O5 118.09(16) 1_655 .
O6 Tb1 O5 53.74(17) . .
O4 Tb1 O5 157.58(18) 2_676 .
O8 Tb1 O5 73.37(17) 1_655 .
O2 Tb1 O5 73.42(17) . .
O1 Tb1 O1 64.84(17) 2_666 .
O3 Tb1 O1 118.70(15) 2_676 .
O7 Tb1 O1 154.55(17) 1_655 .
O6 Tb1 O1 118.68(16) . .
O4 Tb1 O1 92.85(17) 2_676 .
O8 Tb1 O1 114.50(16) 1_655 .
O2 Tb1 O1 51.78(15) . .
O5 Tb1 O1 70.74(16) . .
O1 Tb1 C12 126.4(2) 2_666 .
O3 Tb1 C12 100.6(2) 2_676 .
O7 Tb1 C12 98.17(19) 1_655 .
O6 Tb1 C12 26.9(2) . .
O4 Tb1 C12 153.5(2) 2_676 .
O8 Tb1 C12 69.00(19) 1_655 .
O2 Tb1 C12 81.89(18) . .
O5 Tb1 C12 27.2(2) . .
O1 Tb1 C12 96.4(2) . .
O1 Tb1 C11 106.7(2) 2_666 2_676
O3 Tb1 C11 26.47(19) 2_676 2_676
O7 Tb1 C11 79.90(19) 1_655 2_676
O6 Tb1 C11 102.9(2) . 2_676
O4 Tb1 C11 27.0(2) 2_676 2_676
O8 Tb1 C11 132.98(19) 1_655 2_676
O2 Tb1 C11 77.49(18) . 2_676
O5 Tb1 C11 143.24(19) . 2_676
O1 Tb1 C11 107.48(19) . 2_676
C12 Tb1 C11 126.9(2) . 2_676
O1 Tb1 C22 81.95(19) 2_666 1_655
O3 Tb1 C22 102.74(19) 2_676 1_655
O7 Tb1 C22 26.54(19) 1_655 1_655
O6 Tb1 C22 76.4(2) . 1_655
O4 Tb1 C22 106.77(19) 2_676 1_655
O8 Tb1 C22 26.59(19) 1_655 1_655
O2 Tb1 C22 162.8(2) . 1_655
O5 Tb1 C22 95.60(18) . 1_655
O1 Tb1 C22 137.85(19) . 1_655
C12 Tb1 C22 82.5(2) . 1_655
C11 Tb1 C22 106.4(2) 2_676 1_655
C1 O1 Tb1 149.2(4) . 2_666
C1 O1 Tb1 92.2(4) . .
Tb1 O1 Tb1 115.16(16) 2_666 .
C1 O2 Tb1 95.0(4) . .
C11 O3 Tb1 94.2(4) . 2_676
C11 O4 Tb1 92.5(5) . 2_676
C12 O5 Tb1 88.8(4) . .
C12 O6 Tb1 91.6(4) . .
C22 O7 Tb1 93.8(4) . 1_455
C22 O8 Tb1 92.2(4) . 1_455
O2 C1 O1 119.3(6) . .
O2 C1 C2 123.3(6) . .
O1 C1 C2 117.4(6) . .
O2 C1 Tb1 59.8(3) . .
O1 C1 Tb1 60.8(3) . .
C2 C1 Tb1 168.1(5) . .
C4 C2 C3 120.1(6) . .
C4 C2 C1 121.6(6) . .
C3 C2 C1 117.9(6) . .
C4 C3 C2 122.9(6) 2_566 .
C4 C3 H3 118.6 2_566 .
C2 C3 H3 118.6 . .
C2 C4 C3 117.0(6) . 2_566
C2 C4 C5 124.4(6) . .
C3 C4 C5 118.5(6) 2_566 .
C6 C5 C7 116.8(6) . .
C6 C5 C4 122.2(6) . .
C7 C5 C4 121.0(6) . .
C9 C6 C5 122.2(7) . .
C9 C6 H6 118.9 . .
C5 C6 H6 118.9 . .
C5 C7 C8 120.8(6) . .
C5 C7 H7 119.6 . .
C8 C7 H7 119.6 . .
C10 C8 C7 120.7(7) . .
C10 C8 H8 119.6 . .
C7 C8 H8 119.6 . .
C6 C9 C10 120.6(7) . .
C6 C9 H9 119.7 . .
C10 C9 H9 119.7 . .
C8 C10 C9 118.7(7) . .
C8 C10 C11 122.8(7) . .
C9 C10 C11 118.5(6) . .
O3 C11 O4 119.9(7) . .
O3 C11 C10 120.8(7) . .
O4 C11 C10 119.2(7) . .
O3 C11 Tb1 59.4(4) . 2_676
O4 C11 Tb1 60.5(4) . 2_676
C10 C11 Tb1 176.9(5) . 2_676
O6 C12 O5 124.2(7) . .
O6 C12 C13 118.5(7) . .
O5 C12 C13 117.3(7) . .
O6 C12 Tb1 61.5(4) . .
O5 C12 Tb1 64.0(4) . .
C13 C12 Tb1 167.2(5) . .
C14 C13 C15 118.6(6) . 2_667
C14 C13 C12 124.2(6) . .
C15 C13 C12 117.1(6) 2_667 .
C15 C14 C13 116.8(6) . .
C15 C14 C16 120.1(6) . .
C13 C14 C16 123.0(6) . .
C14 C15 C13 124.6(6) . 2_667
C14 C15 H15 117.7 . .
C13 C15 H15 117.7 2_667 .
C17 C16 C18 118.0(6) . .
C17 C16 C14 122.8(7) . .
C18 C16 C14 119.1(7) . .
C16 C17 C19 121.2(7) . .
C16 C17 H17 119.4 . .
C19 C17 H17 119.4 . .
C20 C18 C16 119.2(7) . .
C20 C18 H18 120.4 . .
C16 C18 H18 120.4 . .
C17 C19 C21 120.7(7) . .
C17 C19 H19 119.6 . .
C21 C19 H19 119.6 . .
C21 C20 C18 122.4(7) . .
C21 C20 H20 118.8 . .
C18 C20 H20 118.8 . .
C20 C21 C19 118.1(7) . .
C20 C21 C22 121.7(7) . .
C19 C21 C22 120.2(7) . .
O7 C22 O8 120.8(6) . .
O7 C22 C21 121.3(6) . .
O8 C22 C21 117.8(6) . .
O7 C22 Tb1 59.7(4) . 1_455
O8 C22 Tb1 61.2(3) . 1_455
C21 C22 Tb1 177.4(5) . 1_455
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O1 2.365(4) 2_666
Tb1 O3 2.408(5) 2_676
Tb1 O7 2.421(5) 1_655
Tb1 O6 2.428(5) .
Tb1 O4 2.431(5) 2_676
Tb1 O8 2.455(4) 1_655
Tb1 O2 2.481(5) .
Tb1 O5 2.484(5) .
Tb1 O1 2.500(4) .
Tb1 C12 2.763(7) .
Tb1 C11 2.791(7) 2_676
Tb1 C22 2.799(7) 1_655
O1 C1 1.297(8) .
O1 Tb1 2.365(4) 2_666
O2 C1 1.223(9) .
O3 C11 1.247(9) .
O3 Tb1 2.408(5) 2_676
O4 C11 1.268(9) .
O4 Tb1 2.431(5) 2_676
O5 C12 1.263(9) .
O6 C12 1.250(9) .
O7 C22 1.253(9) .
O7 Tb1 2.421(5) 1_455
O8 C22 1.254(8) .
O8 Tb1 2.455(4) 1_455
C1 C2 1.495(9) .
C2 C4 1.388(9) .
C2 C3 1.397(9) .
C3 C4 1.393(9) 2_566
C3 H3 0.9300 .
C4 C3 1.393(9) 2_566
C4 C5 1.460(10) .
C5 C6 1.403(10) .
C5 C7 1.405(10) .
C6 C9 1.348(10) .
C6 H6 0.9300 .
C7 C8 1.411(10) .
C7 H7 0.9300 .
C8 C10 1.353(10) .
C8 H8 0.9300 .
C9 C10 1.426(11) .
C9 H9 0.9300 .
C10 C11 1.489(10) .
C11 Tb1 2.791(7) 2_676
C12 C13 1.489(9) .
C13 C14 1.431(9) .
C13 C15 1.432(9) 2_667
C14 C15 1.371(9) .
C14 C16 1.462(9) .
C15 C13 1.432(9) 2_667
C15 H15 0.9300 .
C16 C17 1.378(11) .
C16 C18 1.416(10) .
C17 C19 1.386(10) .
C17 H17 0.9300 .
C18 C20 1.393(10) .
C18 H18 0.9300 .
C19 C21 1.400(10) .
C19 H19 0.9300 .
C20 C21 1.355(11) .
C20 H20 0.9300 .
C21 C22 1.492(9) .
C22 Tb1 2.799(7) 1_455
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
Tb1 O2 C1 O1 -13.4(7) . .
Tb1 O2 C1 C2 166.4(6) . .
Tb1 O1 C1 O2 -140.3(7) 2_666 .
Tb1 O1 C1 O2 13.2(7) . .
Tb1 O1 C1 C2 39.8(11) 2_666 .
Tb1 O1 C1 C2 -166.6(5) . .
Tb1 O1 C1 Tb1 -153.6(9) 2_666 .
O2 C1 C2 C4 37.3(10) . .
O1 C1 C2 C4 -142.8(7) . .
Tb1 C1 C2 C4 139(2) . .
O2 C1 C2 C3 -135.8(7) . .
O1 C1 C2 C3 44.1(9) . .
Tb1 C1 C2 C3 -34(3) . .
C4 C2 C3 C4 -0.3(11) . 2_566
C1 C2 C3 C4 172.9(6) . 2_566
C3 C2 C4 C3 0.3(10) . 2_566
C1 C2 C4 C3 -172.6(6) . 2_566
C3 C2 C4 C5 -175.3(6) . .
C1 C2 C4 C5 11.8(10) . .
C2 C4 C5 C6 48.4(10) . .
C3 C4 C5 C6 -127.2(7) 2_566 .
C2 C4 C5 C7 -130.3(7) . .
C3 C4 C5 C7 54.1(9) 2_566 .
C7 C5 C6 C9 -5.1(12) . .
C4 C5 C6 C9 176.2(7) . .
C6 C5 C7 C8 1.9(11) . .
C4 C5 C7 C8 -179.3(6) . .
C5 C7 C8 C10 2.5(12) . .
C5 C6 C9 C10 3.9(13) . .
C7 C8 C10 C9 -3.8(12) . .
C7 C8 C10 C11 173.4(7) . .
C6 C9 C10 C8 0.7(12) . .
C6 C9 C10 C11 -176.6(8) . .
Tb1 O3 C11 O4 -0.4(7) 2_676 .
Tb1 O3 C11 C10 176.4(6) 2_676 .
Tb1 O4 C11 O3 0.4(7) 2_676 .
Tb1 O4 C11 C10 -176.5(6) 2_676 .
C8 C10 C11 O3 -149.5(7) . .
C9 C10 C11 O3 27.7(11) . .
C8 C10 C11 O4 27.3(11) . .
C9 C10 C11 O4 -155.4(7) . .
Tb1 O6 C12 O5 -13.7(7) . .
Tb1 O6 C12 C13 165.4(5) . .
Tb1 O5 C12 O6 13.3(7) . .
Tb1 O5 C12 C13 -165.7(5) . .
O6 C12 C13 C14 123.6(8) . .
O5 C12 C13 C14 -57.3(10) . .
Tb1 C12 C13 C14 -150(2) . .
O6 C12 C13 C15 -61.8(10) . 2_667
O5 C12 C13 C15 117.4(8) . 2_667
Tb1 C12 C13 C15 25(3) . 2_667
C15 C13 C14 C15 -2.3(13) 2_667 .
C12 C13 C14 C15 172.3(8) . .
C15 C13 C14 C16 173.2(8) 2_667 .
C12 C13 C14 C16 -12.2(13) . .
C13 C14 C15 C13 2.5(14) . 2_667
C16 C14 C15 C13 -173.2(8) . 2_667
C15 C14 C16 C17 141.5(8) . .
C13 C14 C16 C17 -33.9(12) . .
C15 C14 C16 C18 -38.0(12) . .
C13 C14 C16 C18 146.6(8) . .
C18 C16 C17 C19 -2.0(12) . .
C14 C16 C17 C19 178.5(7) . .
C17 C16 C18 C20 4.9(13) . .
C14 C16 C18 C20 -175.6(8) . .
C16 C17 C19 C21 0.6(13) . .
C16 C18 C20 C21 -6.8(14) . .
C18 C20 C21 C19 5.3(13) . .
C18 C20 C21 C22 -176.9(8) . .
C17 C19 C21 C20 -2.1(12) . .
C17 C19 C21 C22 180.0(7) . .
Tb1 O7 C22 O8 2.7(8) 1_455 .
Tb1 O7 C22 C21 -177.2(6) 1_455 .
Tb1 O8 C22 O7 -2.7(8) 1_455 .
Tb1 O8 C22 C21 177.3(6) 1_455 .
C20 C21 C22 O7 175.5(8) . .
C19 C21 C22 O7 -6.7(11) . .
C20 C21 C22 O8 -4.4(12) . .
C19 C21 C22 O8 173.4(7) . .
