#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:58:17 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180458 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/27/7212714.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_7212714
loop_
_publ_author_name
'Ou, Yong-Cong'
'Lin, Zhuo-jia'
'Tong, Ming-Liang'
_publ_section_title
;
 Unique (H2O)14 water cages with cyclic (H2O)4 tetramer unit trapped in 3D
 porous lanthanide--cyclohexanetetracarboxylate frameworks
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              4020
_journal_paper_doi               10.1039/c004258g
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C30 H62 O43 Tb4'
_chemical_formula_weight         1746.48
_chemical_name_systematic
;
?
;
_space_group_IT_number           148
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   19.652(3)
_cell_length_b                   19.652(3)
_cell_length_c                   22.048(4)
_cell_measurement_temperature    293(2)
_cell_volume                     7374(2)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'PROCESS-AUTO (Rigaku, 1998)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDER IP'
_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  0.0452
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            17509
_diffrn_reflns_theta_full        26.99
_diffrn_reflns_theta_max         26.99
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    5.808
_exptl_absorpt_correction_T_max  0.5943
_exptl_absorpt_correction_T_min  0.4762
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_density_diffrn    2.360
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5076
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         5.830
_refine_diff_density_min         -7.680
_refine_diff_density_rms         0.240
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         3583
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0714
_refine_ls_R_factor_gt           0.0585
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0516P)²+462.9207P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1324
_refine_ls_wR_factor_ref         0.1408
_reflns_number_gt                2971
_reflns_number_total             3583
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c004258g.txt
_cod_data_source_block           complex1
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               7212714
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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 1.10256(3) -0.18155(3) -0.288842(19) 0.02337(15) Uani 1 1 d .
Tb2 Tb 1.0000 0.0000 -0.21480(6) 0.0615(3) Uani 1 3 d S
O1 O 0.9920(5) -0.1735(6) -0.2983(4) 0.056(3) Uani 1 1 d .
O2 O 0.9346(5) -0.1251(6) -0.2407(4) 0.063(3) Uani 1 1 d .
O3 O 0.7643(5) -0.1929(5) -0.3012(3) 0.0371(17) Uani 1 1 d .
O4 O 0.7693(5) -0.1535(5) -0.2085(3) 0.0410(18) Uani 1 1 d .
O5 O 0.8313(4) -0.3006(4) -0.0368(3) 0.0279(14) Uani 1 1 d .
O6 O 0.8422(4) -0.4025(4) -0.0629(3) 0.0331(16) Uani 1 1 d .
O7 O 0.9890(4) -0.2475(4) -0.1120(3) 0.0352(17) Uani 1 1 d .
O8 O 1.0291(4) -0.2518(4) -0.2052(3) 0.0339(16) Uani 1 1 d .
O1W O 1.0556(5) -0.3121(4) -0.3259(3) 0.0385(17) Uani 1 1 d .
H1WA H 1.0705 -0.3103 -0.3623 0.046 Uiso 1 1 d RD
H1WB H 1.0625 -0.3425 -0.3024 0.046 Uiso 1 1 d RD
O2W O 1.1963(4) -0.2011(4) -0.2375(3) 0.0349(16) Uani 1 1 d .
H2WA H 1.1774 -0.2217 -0.2032 0.042 Uiso 1 1 d RD
H2WB H 1.2399 -0.1586 -0.2339 0.042 Uiso 1 1 d RD
O3W O 1.0000 0.0000 -0.3253(9) 0.099(7) Uani 1 3 d S
H3W H 0.9597 -0.0416 -0.3373 0.119 Uiso 0.67 1 d PR
O4W O 1.0407(6) -0.0549(6) -0.1370(5) 0.067(3) Uani 1 1 d .
H4WA H 1.0063 -0.0766 -0.1094 0.081 Uiso 1 1 d RD
H4WB H 1.0514 -0.0871 -0.1544 0.081 Uiso 1 1 d RD
O5W O 0.9478(7) -0.1335(6) -0.0358(5) 0.076(3) Uani 1 1 d .
H5WA H 0.9248 -0.1834 -0.0358 0.091 Uiso 1 1 d RD
H5WB H 0.9825 -0.1188 -0.0082 0.091 Uiso 1 1 d RD
O6W O 0.8117(15) -0.5300(10) -0.1326(10) 0.196(11) Uani 1 1 d .
H6WA H 0.8208 -0.4898 -0.1120 0.235 Uiso 1 1 d RD
H6WB H 0.8218 -0.5599 -0.1113 0.294 Uiso 1 1 d RD
O7W O 0.8773(12) -0.1211(15) -0.4028(10) 0.195(11) Uani 1 1 d .
H7WA H 0.8442 -0.1410 -0.3741 0.234 Uiso 1 1 d RD
H7WB H 0.8533 -0.1256 -0.4359 0.234 Uiso 1 1 d RD
C1 C 0.8593(6) -0.2603(6) -0.2672(4) 0.030(2) Uani 1 1 d .
H1 H 0.8382 -0.2698 -0.3085 0.036 Uiso 1 1 calc R
C2 C 0.7962(6) -0.2594(6) -0.2259(4) 0.0273(19) Uani 1 1 d .
H2 H 0.7481 -0.3098 -0.2328 0.033 Uiso 1 1 calc R
C3 C 0.8169(6) -0.2594(6) -0.1584(4) 0.028(2) Uani 1 1 d .
H3A H 0.8656 -0.2115 -0.1491 0.034 Uiso 1 1 calc R
H3B H 0.7757 -0.2608 -0.1332 0.034 Uiso 1 1 calc R
C4 C 0.8259(5) -0.3306(6) -0.1446(4) 0.0246(18) Uani 1 1 d .
H4 H 0.7763 -0.3763 -0.1573 0.030 Uiso 1 1 calc R
C5 C 0.8904(6) -0.3332(6) -0.1838(4) 0.0260(19) Uani 1 1 d .
H5 H 0.8851 -0.3850 -0.1771 0.031 Uiso 1 1 calc R
C6 C 0.8716(6) -0.3300(6) -0.2511(4) 0.031(2) Uani 1 1 d .
H6A H 0.8245 -0.3787 -0.2616 0.037 Uiso 1 1 calc R
H6B H 0.9143 -0.3265 -0.2755 0.037 Uiso 1 1 calc R
C7 C 0.9349(6) -0.1811(7) -0.2682(4) 0.037(2) Uani 1 1 d .
C8 C 0.7776(6) -0.1972(6) -0.2462(4) 0.030(2) Uani 1 1 d .
C9 C 0.8347(5) -0.3440(5) -0.0780(4) 0.0237(18) Uani 1 1 d .
C10 C 0.9754(5) -0.2720(5) -0.1660(4) 0.0240(18) 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 O8 77.4(3) . .
O1 Tb1 O2W 155.8(3) . .
O8 Tb1 O2W 79.9(2) . .
O1 Tb1 O6 76.6(3) . 9_754
O8 Tb1 O6 139.6(2) . 9_754
O2W Tb1 O6 127.1(2) . 9_754
O1 Tb1 O1W 100.0(3) . .
O8 Tb1 O1W 80.9(3) . .
O2W Tb1 O1W 84.4(3) . .
O6 Tb1 O1W 73.9(3) 9_754 .
O1 Tb1 O3 95.7(3) . 2_645
O8 Tb1 O3 130.5(2) . 2_645
O2W Tb1 O3 92.6(3) . 2_645
O6 Tb1 O3 82.5(2) 9_754 2_645
O1W Tb1 O3 147.6(2) . 2_645
O1 Tb1 O4 90.7(3) . 2_645
O8 Tb1 O4 78.5(3) . 2_645
O2W Tb1 O4 76.6(3) . 2_645
O6 Tb1 O4 131.9(2) 9_754 2_645
O1W Tb1 O4 154.0(2) . 2_645
O3 Tb1 O4 52.3(2) 2_645 2_645
O1 Tb1 O5 128.6(3) . 9_754
O8 Tb1 O5 147.7(2) . 9_754
O2W Tb1 O5 75.6(2) . 9_754
O6 Tb1 O5 52.7(2) 9_754 9_754
O1W Tb1 O5 76.1(2) . 9_754
O3 Tb1 O5 71.9(2) 2_645 9_754
O4 Tb1 O5 115.1(2) 2_645 9_754
O1 Tb1 C8 95.0(3) . 2_645
O8 Tb1 C8 104.9(3) . 2_645
O2W Tb1 C8 82.8(3) . 2_645
O6 Tb1 C8 107.7(3) 9_754 2_645
O1W Tb1 C8 164.8(3) . 2_645
O3 Tb1 C8 26.0(2) 2_645 2_645
O4 Tb1 C8 26.4(2) 2_645 2_645
O5 Tb1 C8 92.7(2) 9_754 2_645
O1 Tb1 C9 102.6(3) . 9_754
O8 Tb1 C9 153.4(3) . 9_754
O2W Tb1 C9 101.4(2) . 9_754
O6 Tb1 C9 26.3(2) 9_754 9_754
O1W Tb1 C9 72.9(2) . 9_754
O3 Tb1 C9 76.1(2) 2_645 9_754
O4 Tb1 C9 127.9(2) 2_645 9_754
O5 Tb1 C9 26.4(2) 9_754 9_754
C8 Tb1 C9 101.7(3) 2_645 9_754
O2 Tb2 O2 113.6(2) . 2_645
O2 Tb2 O2 113.6(2) . 3_765
O2 Tb2 O2 113.6(2) 2_645 3_765
O2 Tb2 O4W 148.5(4) . 2_645
O2 Tb2 O4W 79.7(4) 2_645 2_645
O2 Tb2 O4W 83.6(3) 3_765 2_645
O2 Tb2 O4W 83.6(3) . 3_765
O2 Tb2 O4W 148.5(4) 2_645 3_765
O2 Tb2 O4W 79.7(4) 3_765 3_765
O4W Tb2 O4W 73.3(4) 2_645 3_765
O2 Tb2 O4W 79.7(4) . .
O2 Tb2 O4W 83.6(3) 2_645 .
O2 Tb2 O4W 148.5(4) 3_765 .
O4W Tb2 O4W 73.3(4) 2_645 .
O4W Tb2 O4W 73.3(4) 3_765 .
O2 Tb2 O3W 75.0(3) . .
O2 Tb2 O3W 75.0(3) 2_645 .
O2 Tb2 O3W 75.0(3) 3_765 .
O4W Tb2 O3W 136.4(3) 2_645 .
O4W Tb2 O3W 136.4(3) 3_765 .
O4W Tb2 O3W 136.4(3) . .
C7 O1 Tb1 141.2(7) . .
C7 O2 Tb2 147.6(8) . .
C8 O3 Tb1 96.4(6) . 3_765
C8 O4 Tb1 91.6(6) . 3_765
C9 O5 Tb1 90.7(5) . 5_535
C9 O6 Tb1 97.5(5) . 5_535
C10 O8 Tb1 154.4(6) . .
Tb1 O1W H1WA 109.7 . .
Tb1 O1W H1WB 115.6 . .
H1WA O1W H1WB 115.8 . .
Tb1 O2W H2WA 108.4 . .
Tb1 O2W H2WB 111.7 . .
H2WA O2W H2WB 111.8 . .
Tb2 O3W H3W 108.2 . .
Tb2 O4W H4WA 112.4 . .
Tb2 O4W H4WB 106.1 . .
H4WA O4W H4WB 112.4 . .
H5WA O5W H5WB 105.4 . .
H6WA O6W H6WB 109.5 . .
H7WA O7W H7WB 109.5 . .
C7 C1 C2 112.0(8) . .
C7 C1 C6 113.8(8) . .
C2 C1 C6 110.9(8) . .
C7 C1 H1 106.5 . .
C2 C1 H1 106.5 . .
C6 C1 H1 106.5 . .
C8 C2 C3 117.2(8) . .
C8 C2 C1 110.8(8) . .
C3 C2 C1 110.8(7) . .
C8 C2 H2 105.7 . .
C3 C2 H2 105.7 . .
C1 C2 H2 105.7 . .
C4 C3 C2 110.1(8) . .
C4 C3 H3A 109.6 . .
C2 C3 H3A 109.6 . .
C4 C3 H3B 109.6 . .
C2 C3 H3B 109.6 . .
H3A C3 H3B 108.2 . .
C9 C4 C3 115.3(7) . .
C9 C4 C5 111.5(7) . .
C3 C4 C5 112.9(8) . .
C9 C4 H4 105.4 . .
C3 C4 H4 105.4 . .
C5 C4 H4 105.4 . .
C6 C5 C10 113.7(8) . .
C6 C5 C4 108.6(7) . .
C10 C5 C4 114.5(7) . .
C6 C5 H5 106.5 . .
C10 C5 H5 106.5 . .
C4 C5 H5 106.5 . .
C5 C6 C1 113.9(8) . .
C5 C6 H6A 108.8 . .
C1 C6 H6A 108.8 . .
C5 C6 H6B 108.8 . .
C1 C6 H6B 108.8 . .
H6A C6 H6B 107.7 . .
O1 C7 O2 123.3(12) . .
O1 C7 C1 119.4(11) . .
O2 C7 C1 117.2(9) . .
O3 C8 O4 119.4(9) . .
O3 C8 C2 119.0(9) . .
O4 C8 C2 121.4(8) . .
O3 C8 Tb1 57.6(5) . 3_765
O4 C8 Tb1 62.0(5) . 3_765
C2 C8 Tb1 169.9(7) . 3_765
O5 C9 O6 119.0(8) . .
O5 C9 C4 121.9(8) . .
O6 C9 C4 119.0(8) . .
O5 C9 Tb1 62.8(5) . 5_535
O6 C9 Tb1 56.2(4) . 5_535
C4 C9 Tb1 175.0(6) . 5_535
O7 C10 O8 122.7(9) . .
O7 C10 C5 118.6(8) . .
O8 C10 C5 118.6(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O1 2.266(8) .
Tb1 O8 2.323(6) .
Tb1 O2W 2.352(7) .
Tb1 O6 2.392(7) 9_754
Tb1 O1W 2.395(7) .
Tb1 O3 2.414(7) 2_645
Tb1 O4 2.509(7) 2_645
Tb1 O5 2.539(6) 9_754
Tb1 C8 2.841(10) 2_645
Tb1 C9 2.854(9) 9_754
Tb2 O2 2.205(9) .
Tb2 O2 2.205(9) 2_645
Tb2 O2 2.205(9) 3_765
Tb2 O4W 2.369(10) 2_645
Tb2 O4W 2.369(10) 3_765
Tb2 O4W 2.369(10) .
Tb2 O3W 2.44(2) .
O1 C7 1.246(13) .
O2 C7 1.259(15) .
O3 C8 1.253(11) .
O3 Tb1 2.414(7) 3_765
O4 C8 1.264(12) .
O4 Tb1 2.509(7) 3_765
O5 C9 1.271(11) .
O5 Tb1 2.539(6) 5_535
O6 C9 1.275(11) .
O6 Tb1 2.392(7) 5_535
O7 C10 1.261(11) .
O8 C10 1.265(11) .
O1W H1WA 0.8501 .
O1W H1WB 0.8500 .
O2W H2WA 0.8501 .
O2W H2WB 0.8501 .
O3W H3W 0.8476 .
O4W H4WA 0.8501 .
O4W H4WB 0.8500 .
O5W H5WA 0.8502 .
O5W H5WB 0.8501 .
O6W H6WA 0.8500 .
O6W H6WB 0.8501 .
O7W H7WA 0.8498 .
O7W H7WB 0.8500 .
C1 C7 1.523(16) .
C1 C2 1.545(12) .
C1 C6 1.547(14) .
C1 H1 0.9800 .
C2 C8 1.508(14) .
C2 C3 1.542(12) .
C2 H2 0.9800 .
C3 C4 1.528(13) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C9 1.515(12) .
C4 C5 1.556(12) .
C4 H4 0.9800 .
C5 C6 1.538(12) .
C5 C10 1.542(13) .
C5 H5 0.9800 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C8 Tb1 2.841(10) 3_765
C9 Tb1 2.854(9) 5_535
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1WA O7 0.85 1.95 2.793(10) 171.8 9_754
O1W H1WB O5 0.85 2.18 2.885(10) 139.6 17_654
O2W H2WA O4 0.85 1.86 2.662(10) 155.8 17_654
O2W H2WB O7 0.85 1.84 2.671(10) 163.8 16_744
O3W H3W O7W 0.85 2.15 2.94(3) 155.9 .
O4W H4WA O5W 0.85 1.98 2.808(16) 164.2 .
O4W H4WB O4 0.85 2.26 2.925(13) 135.4 2_645
O5W H5WA O5 0.85 2.11 2.917(12) 158.4 .
O5W H5WB O5W 0.85 1.97 2.781(15) 159.3 12_545
O6W H6WA O6 0.85 1.89 2.739(19) 177.2 .
O6W H6WB O7W 0.85 2.10 2.88(2) 151.4 5_535
O7W H7WA O3 0.85 2.12 2.97(2) 177.6 .
O7W H7WB O6W 0.85 2.18 2.92(3) 146.0 13_644
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
O8 Tb1 O1 C7 18.8(14) . .
O2W Tb1 O1 C7 -2(2) . .
O6 Tb1 O1 C7 167.7(15) 9_754 .
O1W Tb1 O1 C7 97.0(15) . .
O3 Tb1 O1 C7 -111.4(15) 2_645 .
O4 Tb1 O1 C7 -59.2(15) 2_645 .
O5 Tb1 O1 C7 177.2(13) 9_754 .
C8 Tb1 O1 C7 -85.3(15) 2_645 .
C9 Tb1 O1 C7 171.5(14) 9_754 .
O2 Tb2 O2 C7 -6.4(19) 2_645 .
O2 Tb2 O2 C7 125.3(13) 3_765 .
O4W Tb2 O2 C7 -116.1(16) 2_645 .
O4W Tb2 O2 C7 -158.9(17) 3_765 .
O4W Tb2 O2 C7 -84.7(17) . .
O3W Tb2 O2 C7 59.4(16) . .
O1 Tb1 O8 C10 -19.5(15) . .
O2W Tb1 O8 C10 152.1(16) . .
O6 Tb1 O8 C10 -70.5(16) 9_754 .
O1W Tb1 O8 C10 -122.0(16) . .
O3 Tb1 O8 C10 67.3(16) 2_645 .
O4 Tb1 O8 C10 73.8(16) 2_645 .
O5 Tb1 O8 C10 -166.8(14) 9_754 .
C8 Tb1 O8 C10 72.4(16) 2_645 .
C9 Tb1 O8 C10 -112.6(15) 9_754 .
C7 C1 C2 C8 58.1(10) . .
C6 C1 C2 C8 -173.6(8) . .
C7 C1 C2 C3 -73.8(10) . .
C6 C1 C2 C3 54.6(11) . .
C8 C2 C3 C4 174.4(8) . .
C1 C2 C3 C4 -57.1(11) . .
C2 C3 C4 C9 -171.5(8) . .
C2 C3 C4 C5 58.6(10) . .
C9 C4 C5 C6 172.7(8) . .
C3 C4 C5 C6 -55.6(10) . .
C9 C4 C5 C10 -59.0(10) . .
C3 C4 C5 C10 72.7(9) . .
C10 C5 C6 C1 -75.7(11) . .
C4 C5 C6 C1 53.0(11) . .
C7 C1 C6 C5 73.4(11) . .
C2 C1 C6 C5 -54.0(11) . .
Tb1 O1 C7 O2 91.4(16) . .
Tb1 O1 C7 C1 -92.6(15) . .
Tb2 O2 C7 O1 -3(2) . .
Tb2 O2 C7 C1 -179.2(12) . .
C2 C1 C7 O1 178.1(9) . .
C6 C1 C7 O1 51.2(12) . .
C2 C1 C7 O2 -5.7(13) . .
C6 C1 C7 O2 -132.6(10) . .
Tb1 O3 C8 O4 -5.7(11) 3_765 .
Tb1 O3 C8 C2 168.9(8) 3_765 .
Tb1 O4 C8 O3 5.4(10) 3_765 .
Tb1 O4 C8 C2 -169.1(8) 3_765 .
C3 C2 C8 O3 176.5(9) . .
C1 C2 C8 O3 48.0(12) . .
C3 C2 C8 O4 -9.0(14) . .
C1 C2 C8 O4 -137.5(10) . .
C3 C2 C8 Tb1 -116(3) . 3_765
C1 C2 C8 Tb1 116(4) . 3_765
Tb1 O5 C9 O6 1.4(8) 5_535 .
Tb1 O5 C9 C4 178.2(7) 5_535 .
Tb1 O6 C9 O5 -1.5(9) 5_535 .
Tb1 O6 C9 C4 -178.4(7) 5_535 .
C3 C4 C9 O5 2.9(12) . .
C5 C4 C9 O5 133.4(9) . .
C3 C4 C9 O6 179.8(8) . .
C5 C4 C9 O6 -49.8(11) . .
C3 C4 C9 Tb1 165(7) . 5_535
C5 C4 C9 Tb1 -65(7) . 5_535
Tb1 O8 C10 O7 -103.3(15) . .
Tb1 O8 C10 C5 80.7(17) . .
C6 C5 C10 O7 152.3(9) . .
C4 C5 C10 O7 26.6(12) . .
C6 C5 C10 O8 -31.6(12) . .
C4 C5 C10 O8 -157.2(8) . .
