#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180388 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/57/7205725.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_7205725
loop_
_publ_author_name
'Hou, Ke-Ling'
'Bai, Feng-Ying'
'Xing, Yong-Heng'
'Wang, Jian-Ling'
'Shi, Zhan'
_publ_section_title
;
 A novel family of 3D photoluminescent lanthanide--bta--flexible MOFs
 constructed from 1,2,4,5-benzenetetracarboxylic acid and different
 spanning of dicarboxylate acid ligands
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              3884
_journal_paper_doi               10.1039/c0ce00707b
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C15 H18 O17 Tb2'
_chemical_formula_weight         788.13
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 113.696(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.833(3)
_cell_length_b                   7.7766(12)
_cell_length_c                   14.755(2)
_cell_measurement_reflns_used    2237
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.00
_cell_measurement_theta_min      2.99
_cell_volume                     1978.8(5)
_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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       'phi and omega 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  0.0291
_diffrn_reflns_av_sigmaI/netI    0.0356
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            5451
_diffrn_reflns_theta_full        26.74
_diffrn_reflns_theta_max         26.74
_diffrn_reflns_theta_min         2.36
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.184
_exptl_absorpt_correction_T_max  0.5425
_exptl_absorpt_correction_T_min  0.3035
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.646
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.724
_refine_diff_density_min         -0.623
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     156
_refine_ls_number_reflns         2087
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0287
_refine_ls_R_factor_gt           0.0232
_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)+(0.0200P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0477
_refine_ls_wR_factor_ref         0.0495
_reflns_number_gt                1824
_reflns_number_total             2087
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00707b.txt
_cod_data_source_block           xb
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7205725
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.253737(10) 0.36633(2) 0.384331(14) 0.01272(7) Uani 1 1 d . . .
O1 O 0.11446(16) 0.4497(4) 0.3518(2) 0.0266(8) Uani 1 1 d . . .
O2 O 0.19268(15) 0.3780(4) 0.5030(2) 0.0187(6) Uani 1 1 d . . .
O1W O 0.34760(17) 0.5429(4) 0.3509(2) 0.0238(7) Uani 1 1 d . . .
H1A H 0.3479 0.5324 0.2958 0.036 Uiso 1 1 d R . .
H1B H 0.3895 0.4985 0.3846 0.036 Uiso 1 1 d R . .
O2W O 0.2372(2) 0.6862(4) 0.4019(3) 0.0346(8) Uani 1 1 d . . .
H2A H 0.2298 0.7244 0.4492 0.052 Uiso 0.50 1 d PR A 1
H2B H 0.2162 0.7456 0.3524 0.052 Uiso 0.50 1 d PR A 1
H2C H 0.2714 0.7171 0.3845 0.052 Uiso 0.50 1 d PR A 2
H2D H 0.2010 0.6637 0.3493 0.052 Uiso 0.50 1 d PR A 2
O3W O 0.5000 0.5000 0.5000 0.120(3) Uani 1 2 d S . .
O3 O 0.17857(16) 0.3081(4) 0.6822(2) 0.0199(7) Uani 1 1 d . . .
O4 O 0.18507(16) 0.5906(4) 0.7101(2) 0.0213(7) Uani 1 1 d . . .
O5 O 0.17141(16) 0.1162(4) 0.3356(2) 0.0216(7) Uani 1 1 d . . .
O6 O 0.14763(17) 0.0359(4) 0.4664(2) 0.0264(8) Uani 1 1 d . . .
C1 C 0.0622(2) 0.4616(5) 0.4742(3) 0.0161(9) Uani 1 1 d . . .
C2 C 0.0757(2) 0.4834(5) 0.5741(3) 0.0150(9) Uani 1 1 d . . .
C3 C 0.0133(2) 0.5197(5) 0.5983(3) 0.0165(9) Uani 1 1 d . . .
H3 H 0.0218 0.5320 0.6645 0.020 Uiso 1 1 calc R . .
C4 C 0.1257(2) 0.4290(6) 0.4397(3) 0.0176(9) Uani 1 1 d . . .
C5 C 0.1530(2) 0.4589(6) 0.6605(3) 0.0172(9) Uani 1 1 d . . .
C6 C 0.1351(2) 0.0297(6) 0.3760(3) 0.0182(9) Uani 1 1 d . . .
C7 C 0.0701(2) -0.0862(5) 0.3104(3) 0.0189(9) Uani 1 1 d . . .
H7A H 0.0563 -0.1669 0.3508 0.023 Uiso 1 1 calc R . .
H7B H 0.0869 -0.1511 0.2665 0.023 Uiso 1 1 calc R . .
C8 C 0.0000 0.0233(8) 0.2500 0.0203(14) Uani 1 2 d S . .
H8A H -0.0130 0.0966 0.2943 0.024 Uiso 1 1 d R . .
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
_geom_angle_publ_flag
O3 Tb1 O6 102.79(11) 7_556 7_556 ?
O3 Tb1 O4 77.27(10) 7_556 6_565 ?
O6 Tb1 O4 147.04(11) 7_556 6_565 ?
O3 Tb1 O5 78.47(10) 7_556 . ?
O6 Tb1 O5 135.04(11) 7_556 . ?
O4 Tb1 O5 77.73(10) 6_565 . ?
O3 Tb1 O1W 71.28(10) 7_556 . ?
O6 Tb1 O1W 69.24(10) 7_556 . ?
O4 Tb1 O1W 80.01(10) 6_565 . ?
O5 Tb1 O1W 145.63(10) . . ?
O3 Tb1 O2 144.58(10) 7_556 . ?
O6 Tb1 O2 75.01(10) 7_556 . ?
O4 Tb1 O2 123.80(10) 6_565 . ?
O5 Tb1 O2 79.21(9) . . ?
O1W Tb1 O2 135.15(10) . . ?
O3 Tb1 O2 71.92(10) 7_556 7_556 ?
O6 Tb1 O2 70.33(10) 7_556 7_556 ?
O4 Tb1 O2 137.10(10) 6_565 7_556 ?
O5 Tb1 O2 67.53(10) . 7_556 ?
O1W Tb1 O2 115.96(10) . 7_556 ?
O2 Tb1 O2 74.27(10) . 7_556 ?
O3 Tb1 O2W 136.47(11) 7_556 . ?
O6 Tb1 O2W 70.84(11) 7_556 . ?
O4 Tb1 O2W 86.40(11) 6_565 . ?
O5 Tb1 O2W 137.08(10) . . ?
O1W Tb1 O2W 66.23(11) . . ?
O2 Tb1 O2W 77.18(10) . . ?
O2 Tb1 O2W 136.36(10) 7_556 . ?
O3 Tb1 O1 139.71(10) 7_556 . ?
O6 Tb1 O1 117.19(10) 7_556 . ?
O4 Tb1 O1 72.04(10) 6_565 . ?
O5 Tb1 O1 70.10(10) . . ?
O1W Tb1 O1 126.30(10) . . ?
O2 Tb1 O1 51.97(9) . . ?
O2 Tb1 O1 115.78(10) 7_556 . ?
O2W Tb1 O1 67.09(11) . . ?
O3 Tb1 C4 151.57(11) 7_556 . ?
O6 Tb1 C4 96.63(11) 7_556 . ?
O4 Tb1 C4 97.39(11) 6_565 . ?
O5 Tb1 C4 73.12(11) . . ?
O1W Tb1 C4 135.96(11) . . ?
O2 Tb1 C4 26.55(10) . . ?
O2 Tb1 C4 95.86(11) 7_556 . ?
O2W Tb1 C4 69.72(12) . . ?
O1 Tb1 C4 25.42(10) . . ?
O3 Tb1 Tb1 108.40(7) 7_556 7_556 ?
O6 Tb1 Tb1 68.08(8) 7_556 7_556 ?
O4 Tb1 Tb1 143.94(7) 6_565 7_556 ?
O5 Tb1 Tb1 69.07(7) . 7_556 ?
O1W Tb1 Tb1 135.97(7) . 7_556 ?
O2 Tb1 Tb1 37.18(7) . 7_556 ?
O2 Tb1 Tb1 37.08(6) 7_556 7_556 ?
O2W Tb1 Tb1 108.39(8) . 7_556 ?
O1 Tb1 Tb1 83.52(7) . 7_556 ?
C4 Tb1 Tb1 60.25(9) . 7_556 ?
O3 Tb1 H2D 133.9 7_556 . ?
O6 Tb1 H2D 89.6 7_556 . ?
O4 Tb1 H2D 69.4 6_565 . ?
O5 Tb1 H2D 122.2 . . ?
O1W Tb1 H2D 72.3 . . ?
O2 Tb1 H2D 81.4 . . ?
O2 Tb1 H2D 151.7 7_556 . ?
O2W Tb1 H2D 18.8 . . ?
O1 Tb1 H2D 55.3 . . ?
C4 Tb1 H2D 65.9 . . ?
Tb1 Tb1 H2D 117.4 7_556 . ?
C4 O1 Tb1 92.3(2) . . ?
C4 O2 Tb1 95.5(2) . . ?
C4 O2 Tb1 137.8(3) . 7_556 ?
Tb1 O2 Tb1 105.73(10) . 7_556 ?
Tb1 O1W H1A 116.0 . . ?
Tb1 O1W H1B 103.8 . . ?
H1A O1W H1B 99.8 . . ?
Tb1 O2W H2A 120.9 . . ?
Tb1 O2W H2B 119.8 . . ?
H2A O2W H2B 111.6 . . ?
Tb1 O2W H2C 96.4 . . ?
H2A O2W H2C 125.7 . . ?
H2B O2W H2C 73.4 . . ?
Tb1 O2W H2D 77.5 . . ?
H2A O2W H2D 121.5 . . ?
H2B O2W H2D 49.9 . . ?
H2C O2W H2D 103.0 . . ?
C5 O3 Tb1 130.7(3) . 7_556 ?
C5 O4 Tb1 131.5(3) . 6_566 ?
C6 O5 Tb1 133.9(3) . . ?
C6 O6 Tb1 137.9(3) . 7_556 ?
C3 C1 C2 119.3(4) 5_566 . ?
C3 C1 C4 117.5(4) 5_566 . ?
C2 C1 C4 123.1(4) . . ?
C3 C2 C1 118.7(4) . . ?
C3 C2 C5 115.9(4) . . ?
C1 C2 C5 125.2(4) . . ?
C2 C3 C1 122.0(4) . 5_566 ?
C2 C3 H3 119.0 . . ?
C1 C3 H3 119.0 5_566 . ?
O1 C4 O2 120.2(4) . . ?
O1 C4 C1 120.7(4) . . ?
O2 C4 C1 119.1(4) . . ?
O1 C4 Tb1 62.3(2) . . ?
O2 C4 Tb1 57.9(2) . . ?
C1 C4 Tb1 176.9(3) . . ?
O3 C5 O4 124.3(4) . . ?
O3 C5 C2 118.1(4) . . ?
O4 C5 C2 117.4(4) . . ?
O6 C6 O5 124.9(4) . . ?
O6 C6 C7 117.3(4) . . ?
O5 C6 C7 117.8(4) . . ?
C6 C7 C8 109.2(4) . . ?
C6 C7 H7A 109.8 . . ?
C8 C7 H7A 109.8 . . ?
C6 C7 H7B 109.8 . . ?
C8 C7 H7B 109.8 . . ?
H7A C7 H7B 108.3 . . ?
C7 C8 C7 112.0(5) 2 . ?
C7 C8 H8A 109.3 2 . ?
C7 C8 H8A 109.2 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 O3 2.331(3) 7_556 ?
Tb1 O6 2.364(3) 7_556 ?
Tb1 O4 2.393(3) 6_565 ?
Tb1 O5 2.410(3) . ?
Tb1 O1W 2.440(3) . ?
Tb1 O2 2.453(3) . ?
Tb1 O2 2.459(3) 7_556 ?
Tb1 O2W 2.533(3) . ?
Tb1 O1 2.553(3) . ?
Tb1 C4 2.881(4) . ?
Tb1 Tb1 3.9154(6) 7_556 ?
Tb1 H2D 2.4874 . ?
O1 C4 1.238(5) . ?
O2 C4 1.294(5) . ?
O2 Tb1 2.459(3) 7_556 ?
O1W H1A 0.8199 . ?
O1W H1B 0.8200 . ?
O2W H2A 0.8198 . ?
O2W H2B 0.8200 . ?
O2W H2C 0.8203 . ?
O2W H2D 0.8199 . ?
O3 C5 1.260(5) . ?
O3 Tb1 2.331(3) 7_556 ?
O4 C5 1.262(5) . ?
O4 Tb1 2.393(3) 6_566 ?
O5 C6 1.266(5) . ?
O6 C6 1.259(5) . ?
O6 Tb1 2.364(3) 7_556 ?
C1 C3 1.400(5) 5_566 ?
C1 C2 1.402(6) . ?
C1 C4 1.498(5) . ?
C2 C3 1.387(5) . ?
C2 C5 1.514(5) . ?
C3 C1 1.400(5) 5_566 ?
C3 H3 0.9300 . ?
C6 C7 1.515(6) . ?
C7 C8 1.522(5) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C7 1.522(5) 2 ?
C8 H8A 0.9700 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3 Tb1 O1 C4 133.3(3) 7_556 . . . ?
O6 Tb1 O1 C4 -38.9(3) 7_556 . . . ?
O4 Tb1 O1 C4 175.5(3) 6_565 . . . ?
O5 Tb1 O1 C4 92.4(3) . . . . ?
O1W Tb1 O1 C4 -122.1(3) . . . . ?
O2 Tb1 O1 C4 0.7(2) . . . . ?
O2 Tb1 O1 C4 41.2(3) 7_556 . . . ?
O2W Tb1 O1 C4 -90.7(3) . . . . ?
Tb1 Tb1 O1 C4 22.4(3) 7_556 . . . ?
O3 Tb1 O2 C4 -125.5(3) 7_556 . . . ?
O6 Tb1 O2 C4 143.4(3) 7_556 . . . ?
O4 Tb1 O2 C4 -6.6(3) 6_565 . . . ?
O5 Tb1 O2 C4 -73.8(2) . . . . ?
O1W Tb1 O2 C4 105.6(3) . . . . ?
O2 Tb1 O2 C4 -143.2(3) 7_556 . . . ?
O2W Tb1 O2 C4 70.1(3) . . . . ?
O1 Tb1 O2 C4 -0.7(2) . . . . ?
Tb1 Tb1 O2 C4 -143.2(3) 7_556 . . . ?
O3 Tb1 O2 Tb1 17.7(2) 7_556 . . 7_556 ?
O6 Tb1 O2 Tb1 -73.35(12) 7_556 . . 7_556 ?
O4 Tb1 O2 Tb1 136.65(11) 6_565 . . 7_556 ?
O5 Tb1 O2 Tb1 69.48(11) . . . 7_556 ?
O1W Tb1 O2 Tb1 -111.20(13) . . . 7_556 ?
O2 Tb1 O2 Tb1 0.0 7_556 . . 7_556 ?
O2W Tb1 O2 Tb1 -146.63(12) . . . 7_556 ?
O1 Tb1 O2 Tb1 142.57(17) . . . 7_556 ?
C4 Tb1 O2 Tb1 143.2(3) . . . 7_556 ?
O3 Tb1 O5 C6 137.2(4) 7_556 . . . ?
O6 Tb1 O5 C6 40.6(4) 7_556 . . . ?
O4 Tb1 O5 C6 -143.5(4) 6_565 . . . ?
O1W Tb1 O5 C6 165.7(3) . . . . ?
O2 Tb1 O5 C6 -15.1(4) . . . . ?
O2 Tb1 O5 C6 62.2(4) 7_556 . . . ?
O2W Tb1 O5 C6 -72.7(4) . . . . ?
O1 Tb1 O5 C6 -68.4(4) . . . . ?
C4 Tb1 O5 C6 -41.8(4) . . . . ?
Tb1 Tb1 O5 C6 22.2(3) 7_556 . . . ?
C3 C1 C2 C3 1.3(7) 5_566 . . . ?
C4 C1 C2 C3 177.5(4) . . . . ?
C3 C1 C2 C5 176.9(4) 5_566 . . . ?
C4 C1 C2 C5 -6.9(7) . . . . ?
C1 C2 C3 C1 -1.3(7) . . . 5_566 ?
C5 C2 C3 C1 -177.3(4) . . . 5_566 ?
Tb1 O1 C4 O2 -1.2(4) . . . . ?
Tb1 O1 C4 C1 179.1(4) . . . . ?
Tb1 O2 C4 O1 1.2(4) . . . . ?
Tb1 O2 C4 O1 -119.6(4) 7_556 . . . ?
Tb1 O2 C4 C1 -179.1(3) . . . . ?
Tb1 O2 C4 C1 60.1(6) 7_556 . . . ?
Tb1 O2 C4 Tb1 -120.8(4) 7_556 . . . ?
C3 C1 C4 O1 13.1(6) 5_566 . . . ?
C2 C1 C4 O1 -163.2(4) . . . . ?
C3 C1 C4 O2 -166.6(4) 5_566 . . . ?
C2 C1 C4 O2 17.1(6) . . . . ?
C3 C1 C4 Tb1 179(100) 5_566 . . . ?
C2 C1 C4 Tb1 3(6) . . . . ?
O3 Tb1 C4 O1 -81.2(4) 7_556 . . . ?
O6 Tb1 C4 O1 145.8(3) 7_556 . . . ?
O4 Tb1 C4 O1 -4.3(3) 6_565 . . . ?
O5 Tb1 C4 O1 -79.0(3) . . . . ?
O1W Tb1 C4 O1 79.0(3) . . . . ?
O2 Tb1 C4 O1 -178.8(4) . . . . ?
O2 Tb1 C4 O1 -143.4(3) 7_556 . . . ?
O2W Tb1 C4 O1 79.1(3) . . . . ?
Tb1 Tb1 C4 O1 -154.2(3) 7_556 . . . ?
O3 Tb1 C4 O2 97.6(3) 7_556 . . . ?
O6 Tb1 C4 O2 -35.4(3) 7_556 . . . ?
O4 Tb1 C4 O2 174.5(2) 6_565 . . . ?
O5 Tb1 C4 O2 99.8(2) . . . . ?
O1W Tb1 C4 O2 -102.3(3) . . . . ?
O2 Tb1 C4 O2 35.4(3) 7_556 . . . ?
O2W Tb1 C4 O2 -102.1(3) . . . . ?
O1 Tb1 C4 O2 178.8(4) . . . . ?
Tb1 Tb1 C4 O2 24.6(2) 7_556 . . . ?
O3 Tb1 C4 C1 113(6) 7_556 . . . ?
O6 Tb1 C4 C1 -20(6) 7_556 . . . ?
O4 Tb1 C4 C1 -170(6) 6_565 . . . ?
O5 Tb1 C4 C1 115(6) . . . . ?
O1W Tb1 C4 C1 -87(6) . . . . ?
O2 Tb1 C4 C1 15(6) . . . . ?
O2 Tb1 C4 C1 50(6) 7_556 . . . ?
O2W Tb1 C4 C1 -87(6) . . . . ?
O1 Tb1 C4 C1 -166(6) . . . . ?
Tb1 Tb1 C4 C1 40(6) 7_556 . . . ?
Tb1 O3 C5 O4 -102.3(4) 7_556 . . . ?
Tb1 O3 C5 C2 82.7(4) 7_556 . . . ?
Tb1 O4 C5 O3 -35.7(6) 6_566 . . . ?
Tb1 O4 C5 C2 139.3(3) 6_566 . . . ?
C3 C2 C5 O3 104.2(5) . . . . ?
C1 C2 C5 O3 -71.6(6) . . . . ?
C3 C2 C5 O4 -71.1(5) . . . . ?
C1 C2 C5 O4 113.1(5) . . . . ?
Tb1 O6 C6 O5 -16.5(7) 7_556 . . . ?
Tb1 O6 C6 C7 165.4(3) 7_556 . . . ?
Tb1 O5 C6 O6 -16.5(6) . . . . ?
Tb1 O5 C6 C7 161.7(3) . . . . ?
O6 C6 C7 C8 103.6(4) . . . . ?
O5 C6 C7 C8 -74.7(4) . . . . ?
C6 C7 C8 C7 -174.6(4) . . . 2 ?
