#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/68/2216856.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2216856
loop_
_publ_author_name
'Rong-Hua, Zeng'
_publ_section_title
;
 Poly[diaquatris(μ₄-benzene-1,3-dicarboxylato)diterbium(III)]
;
_journal_coeditor_code           ZL2078
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3110
_journal_page_last               m3110
_journal_paper_doi               10.1107/S1600536807057765
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Tb2 (C8 H4 O4)3 (H2 O)2]'
_chemical_formula_moiety         'C24 H16 O14 Tb2'
_chemical_formula_sum            'C24 H16 O14 Tb2'
_chemical_formula_weight         846.21
_chemical_name_systematic
;
Poly[diaquatris(m₄-benzene-1,3-dicarboxylato)diterbium(III)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 103.9440(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.2647(3)
_cell_length_b                   14.3741(3)
_cell_length_c                   13.5323(3)
_cell_measurement_reflns_used    4289
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      1.66
_cell_volume                     2504.14(10)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX-II (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL-XP (Bruker, 2004)'
_computing_publication_material  'SHELXTL (Bruker, 2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II area-detector diffractometer'
_diffrn_measurement_method       'φ and ω scan'
_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  0.0774
_diffrn_reflns_av_sigmaI/netI    0.0515
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            35926
_diffrn_reflns_theta_full        26.49
_diffrn_reflns_theta_max         26.49
_diffrn_reflns_theta_min         1.93
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.677
_exptl_absorpt_correction_T_max  0.538
_exptl_absorpt_correction_T_min  0.445
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.245
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.211
_refine_diff_density_min         -1.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         5182
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.0343
_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)+(0.0245P)²+8.8675P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0636
_refine_ls_wR_factor_ref         0.0728
_reflns_number_gt                3834
_reflns_number_total             5182
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            zl2078.cif
_cod_data_source_block           I
_cod_original_cell_volume        2504.14(9)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2216856
_cod_database_fobs_code          2216856
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.8731(5) 0.1394(4) 0.1428(4) 0.0231(14) Uani d . 1 . .
C C2 0.9120(5) 0.2379(4) 0.1428(5) 0.0273(15) Uani d . 1 . .
C C3 0.8840(5) 0.3000(4) 0.2099(5) 0.0292(15) Uani d . 1 . .
H H3 0.8430 0.2801 0.2528 0.035 Uiso calc R 1 . .
C C4 0.9166(5) 0.3912(4) 0.2132(5) 0.0285(15) Uani d . 1 . .
C C5 0.9762(6) 0.4214(5) 0.1484(6) 0.0418(19) Uani d . 1 . .
H H5 0.9974 0.4832 0.1498 0.050 Uiso calc R 1 . .
C C6 1.0044(7) 0.3588(5) 0.0808(6) 0.051(2) Uani d . 1 . .
H H6 1.0443 0.3788 0.0370 0.061 Uiso calc R 1 . .
C C7 0.9728(6) 0.2667(5) 0.0792(6) 0.0382(18) Uani d . 1 . .
H H7 0.9925 0.2245 0.0353 0.046 Uiso calc R 1 . .
C C8 0.8853(5) 0.4571(4) 0.2847(5) 0.0272(15) Uani d . 1 . .
C C9 0.6369(6) 0.4092(5) 0.1246(5) 0.0339(17) Uani d . 1 A .
C C10 0.6583(6) 0.4838(5) 0.0566(5) 0.0377(18) Uani d D 1 . .
C C11 0.6834(13) 0.5728(7) 0.0950(9) 0.021(7) Uani d PDU 0.40(3) A 1
H H11 0.6739 0.5890 0.1587 0.025 Uiso calc PR 0.40(3) A 1
C C13 0.738(2) 0.6150(13) -0.0580(11) 0.026(5) Uani d PDU 0.40(3) A 1
H H13 0.7678 0.6582 -0.0932 0.032 Uiso calc PR 0.40(3) A 1
C C14 0.708(3) 0.5288(13) -0.1007(15) 0.041(6) Uani d PDU 0.40(3) A 1
H H14 0.7083 0.5155 -0.1677 0.049 Uiso calc PR 0.40(3) A 1
C C15 0.677(2) 0.4638(14) -0.0398(12) 0.039(6) Uani d PDU 0.40(3) A 1
H H15 0.6670 0.4029 -0.0634 0.047 Uiso calc PR 0.40(3) A 1
C C11' 0.7033(11) 0.5661(6) 0.1000(7) 0.022(4) Uani d PDU 0.60(3) A 2
H H11' 0.7203 0.5736 0.1703 0.026 Uiso calc PR 0.60(3) A 2
C C13' 0.6938(16) 0.6260(9) -0.0677(7) 0.033(4) Uani d PDU 0.60(3) A 2
H H13' 0.7037 0.6746 -0.1097 0.040 Uiso calc PR 0.60(3) A 2
C C14' 0.6506(17) 0.5431(9) -0.1100(10) 0.039(4) Uani d PDU 0.60(3) A 2
H H14' 0.6362 0.5353 -0.1802 0.047 Uiso calc PR 0.60(3) A 2
C C15' 0.6286(15) 0.4723(9) -0.0504(7) 0.033(4) Uani d PDU 0.60(3) A 2
H H15' 0.5952 0.4185 -0.0795 0.040 Uiso calc PR 0.60(3) A 2
C C12 0.7224(5) 0.6369(4) 0.0379(5) 0.0312(16) Uani d D 1 . .
C C16 0.7631(5) 0.7280(4) 0.0848(5) 0.0226(14) Uani d . 1 A .
C C17 0.6837(5) 0.0910(4) -0.0429(4) 0.0225(14) Uani d . 1 A .
C C18 0.7180(5) 0.1586(4) -0.1142(5) 0.0258(15) Uani d . 1 . .
C C19 0.6553(6) 0.2320(5) -0.1574(5) 0.0332(16) Uani d . 1 . .
H H19 0.5897 0.2385 -0.1450 0.040 Uiso calc R 1 . .
C C20 0.6886(6) 0.2954(5) -0.2183(5) 0.0378(18) Uani d . 1 . .
H H20 0.6445 0.3427 -0.2497 0.045 Uiso calc R 1 . .
C C21 0.7881(5) 0.2886(5) -0.2329(5) 0.0341(17) Uani d . 1 . .
H H21 0.8119 0.3332 -0.2716 0.041 Uiso calc R 1 . .
C C22 0.8525(5) 0.2159(4) -0.1901(5) 0.0270(15) Uani d . 1 . .
C C23 0.8166(5) 0.1504(5) -0.1316(4) 0.0256(15) Uani d . 1 . .
H H23 0.8589 0.1006 -0.1038 0.031 Uiso calc R 1 . .
C C24 0.9607(5) 0.2067(5) -0.2044(5) 0.0279(15) Uani d . 1 . .
O O1 0.7873(3) 0.1236(3) 0.1631(3) 0.0279(10) Uani d . 1 . .
O O2 0.9288(4) 0.0743(3) 0.1211(4) 0.0335(11) Uani d . 1 . .
O O3 0.9080(4) 0.5415(3) 0.2778(4) 0.0390(12) Uani d . 1 . .
O O4 0.8359(4) 0.4262(3) 0.3473(4) 0.0364(12) Uani d . 1 . .
O O5 0.6263(4) 0.3265(3) 0.0916(4) 0.0436(13) Uani d . 1 . .
O O6 0.6325(4) 0.4317(3) 0.2125(4) 0.0423(13) Uani d . 1 . .
O O7 0.7630(3) 0.7967(3) 0.0277(3) 0.0290(11) Uani d . 1 . .
O O8 0.7966(4) 0.7328(3) 0.1800(3) 0.0311(11) Uani d . 1 . .
O O9 0.6139(3) 0.1186(3) -0.0012(3) 0.0301(11) Uani d . 1 . .
O O10 0.7277(3) 0.0131(3) -0.0287(3) 0.0275(10) Uani d . 1 . .
O O11 1.0184(4) 0.1465(3) -0.1523(3) 0.0329(11) Uani d . 1 . .
O O12 0.9859(4) 0.2601(3) -0.2675(4) 0.0360(12) Uani d . 1 . .
O O1W 0.4451(4) 0.1564(5) 0.0500(4) 0.0564(17) Uani d D 1 . .
H H1W 0.387(3) 0.178(6) 0.048(6) 0.085 Uiso d D 1 . .
H H2W 0.436(6) 0.121(5) 0.002(5) 0.085 Uiso d D 1 . .
O O2W 0.8967(4) -0.0717(4) -0.0413(4) 0.0432(13) Uani d D 1 . .
H H3W 0.948(3) -0.075(6) -0.066(5) 0.065 Uiso d D 1 . .
H H4W 0.849(3) -0.059(6) -0.091(3) 0.065 Uiso d D 1 . .
Tb Tb1 0.61128(2) 0.18274(2) 0.15619(2) 0.02036(8) Uani d . 1 . .
Tb Tb2 0.82716(2) -0.06625(2) 0.11562(2) 0.02429(9) Uani d . 1 . .
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1 C1 O2 . . 121.8(6)
O1 C1 C2 . . 119.9(6)
O2 C1 C2 . . 118.3(6)
C7 C2 C3 . . 120.4(6)
C7 C2 C1 . . 122.3(6)
C3 C2 C1 . . 117.3(6)
C4 C3 C2 . . 120.1(6)
C4 C3 H3 . . 119.9
C2 C3 H3 . . 119.9
C3 C4 C5 . . 120.0(6)
C3 C4 C8 . . 119.5(6)
C5 C4 C8 . . 120.4(6)
C4 C5 C6 . . 119.8(6)
C4 C5 H5 . . 120.1
C6 C5 H5 . . 120.1
C7 C6 C5 . . 119.8(7)
C7 C6 H6 . . 120.1
C5 C6 H6 . . 120.1
C2 C7 C6 . . 119.8(7)
C2 C7 H7 . . 120.1
C6 C7 H7 . . 120.1
O3 C8 O4 . . 123.9(6)
O3 C8 C4 . . 117.2(6)
O4 C8 C4 . . 118.9(6)
O6 C9 O5 . . 123.6(6)
O6 C9 C10 . . 117.6(6)
O5 C9 C10 . . 118.8(6)
C11' C10 C15 . . 114.3(11)
C11 C10 C15 . . 117.0(11)
C11' C10 C15' . . 121.1(8)
C11 C10 C15' . . 118.2(8)
C11' C10 C9 . . 118.7(7)
C11 C10 C9 . . 119.9(7)
C15 C10 C9 . . 121.7(10)
C15' C10 C9 . . 120.1(7)
C12 C11 C10 . . 119.5(9)
C12 C11 H11 . . 120.3
C10 C11 H11 . . 120.3
C14 C13 C12 . . 119.9(15)
C14 C13 H13 . . 120.1
C12 C13 H13 . . 120.1
C15 C14 C13 . . 117.2(18)
C15 C14 H14 . . 121.4
C13 C14 H14 . . 121.4
C14 C15 C10 . . 124.0(17)
C14 C15 H15 . . 118.0
C10 C15 H15 . . 118.0
C12 C11' C10 . . 119.6(8)
C12 C11' H11' . . 120.2
C10 C11' H11' . . 120.2
C14' C13' C12 . . 120.2(11)
C14' C13' H13' . . 119.9
C12 C13' H13' . . 119.9
C15' C14' C13' . . 121.4(12)
C15' C14' H14' . . 119.3
C13' C14' H14' . . 119.3
C14' C15' C10 . . 117.9(11)
C14' C15' H15' . . 121.1
C10 C15' H15' . . 121.1
C11' C12 C13' . . 119.7(8)
C11 C12 C13' . . 116.9(8)
C11' C12 C13 . . 119.2(10)
C11 C12 C13 . . 121.8(10)
C11' C12 C16 . . 119.1(6)
C11 C12 C16 . . 119.4(7)
C13' C12 C16 . . 120.9(7)
C13 C12 C16 . . 118.3(9)
O7 C16 O8 . . 122.3(6)
O7 C16 C12 . . 118.7(5)
O8 C16 C12 . . 118.9(6)
O10 C17 O9 . . 125.3(6)
O10 C17 C18 . . 118.0(6)
O9 C17 C18 . . 116.7(6)
C19 C18 C23 . . 119.2(6)
C19 C18 C17 . . 121.1(6)
C23 C18 C17 . . 119.6(6)
C20 C19 C18 . . 120.9(7)
C20 C19 H19 . . 119.6
C18 C19 H19 . . 119.6
C19 C20 C21 . . 119.7(7)
C19 C20 H20 . . 120.2
C21 C20 H20 . . 120.2
C20 C21 C22 . . 120.4(7)
C20 C21 H21 . . 119.8
C22 C21 H21 . . 119.8
C21 C22 C23 . . 119.4(6)
C21 C22 C24 . . 121.6(6)
C23 C22 C24 . . 119.0(6)
C22 C23 C18 . . 120.4(6)
C22 C23 H23 . . 119.8
C18 C23 H23 . . 119.8
O12 C24 O11 . . 125.5(6)
O12 C24 C22 . . 117.1(6)
O11 C24 C22 . . 117.4(6)
C1 O1 Tb1 . . 146.1(4)
C1 O1 Tb2 . . 84.1(4)
Tb1 O1 Tb2 . . 122.75(16)
C1 O2 Tb2 . . 105.8(4)
C8 O3 Tb1 . 2_655 141.7(5)
C8 O4 Tb2 . 2_655 141.2(4)
C9 O5 Tb1 . . 137.0(5)
C9 O6 Tb2 . 2_655 158.7(5)
C16 O7 Tb2 . 1_565 113.7(4)
C16 O8 Tb1 . 2_655 156.2(4)
C17 O9 Tb1 . . 135.2(4)
C17 O10 Tb2 . . 134.5(4)
C24 O11 Tb2 . 3_755 149.2(4)
C24 O12 Tb1 . 4_665 149.6(4)
Tb1 O1W H1W . . 134(5)
Tb1 O1W H2W . . 122(5)
H1W O1W H2W . . 104.0(17)
Tb2 O2W H3W . . 148(5)
Tb2 O2W H4W . . 108(5)
H3W O2W H4W . . 103.3(17)
O3 Tb1 O5 2_645 . 178.18(19)
O3 Tb1 O12 2_645 4_566 88.87(17)
O5 Tb1 O12 . 4_566 89.33(18)
O3 Tb1 O9 2_645 . 91.95(17)
O5 Tb1 O9 . . 89.20(17)
O12 Tb1 O9 4_566 . 136.12(16)
O3 Tb1 O1W 2_645 . 85.3(2)
O5 Tb1 O1W . . 93.9(2)
O12 Tb1 O1W 4_566 . 70.16(17)
O9 Tb1 O1W . . 66.20(17)
O3 Tb1 O8 2_645 2_645 89.16(16)
O5 Tb1 O8 . 2_645 90.58(16)
O12 Tb1 O8 4_566 2_645 74.82(16)
O9 Tb1 O8 . 2_645 149.05(16)
O1W Tb1 O8 . 2_645 144.62(18)
O3 Tb1 O1 2_645 . 82.62(16)
O5 Tb1 O1 . . 99.09(17)
O12 Tb1 O1 4_566 . 152.00(15)
O9 Tb1 O1 . . 71.07(15)
O1W Tb1 O1 . . 135.00(16)
O8 Tb1 O1 2_645 . 78.42(15)
O6 Tb2 O11 2_645 3_755 78.07(17)
O6 Tb2 O4 2_645 2_645 77.30(18)
O11 Tb2 O4 3_755 2_645 138.85(15)
O6 Tb2 O7 2_645 1_545 118.50(16)
O11 Tb2 O7 3_755 1_545 83.35(16)
O4 Tb2 O7 2_645 1_545 80.15(16)
O6 Tb2 O10 2_645 . 143.33(16)
O11 Tb2 O10 3_755 . 135.23(15)
O4 Tb2 O10 2_645 . 80.73(15)
O7 Tb2 O10 1_545 . 85.66(15)
O6 Tb2 O2 2_645 . 89.27(17)
O11 Tb2 O2 3_755 . 87.20(15)
O4 Tb2 O2 2_645 . 124.72(16)
O7 Tb2 O2 1_545 . 147.76(15)
O10 Tb2 O2 . . 79.58(15)
O6 Tb2 O2W 2_645 . 145.73(19)
O11 Tb2 O2W 3_755 . 71.18(17)
O4 Tb2 O2W 2_645 . 136.65(17)
O7 Tb2 O2W 1_545 . 73.04(17)
O10 Tb2 O2W . . 64.10(16)
O2 Tb2 O2W . . 74.73(17)
O6 Tb2 O1 2_645 . 78.07(14)
O11 Tb2 O1 3_755 . 128.96(14)
O4 Tb2 O1 2_645 . 76.53(14)
O7 Tb2 O1 1_545 . 147.41(14)
O10 Tb2 O1 . . 68.43(13)
O2 Tb2 O1 . . 48.19(14)
O2W Tb2 O1 . . 110.02(16)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 O1 . 1.255(7)
C1 O2 . 1.269(7)
C1 C2 . 1.507(9)
C2 C7 . 1.377(9)
C2 C3 . 1.387(9)
C3 C4 . 1.378(9)
C3 H3 . 0.9300
C4 C5 . 1.385(9)
C4 C8 . 1.483(9)
C5 C6 . 1.397(10)
C5 H5 . 0.9300
C6 C7 . 1.388(10)
C6 H6 . 0.9300
C7 H7 . 0.9300
C8 O3 . 1.259(7)
C8 O4 . 1.269(8)
C9 O6 . 1.248(8)
C9 O5 . 1.265(8)
C9 C10 . 1.484(9)
C10 C11' . 1.390(10)
C10 C11 . 1.390(11)
C10 C15 . 1.413(13)
C10 C15' . 1.417(11)
C11 C12 . 1.382(11)
C11 H11 . 0.9300
C13 C14 . 1.384(13)
C13 C12 . 1.396(12)
C13 H13 . 0.9300
C14 C15 . 1.372(14)
C14 H14 . 0.9300
C15 H15 . 0.9300
C11' C12 . 1.381(10)
C11' H11' . 0.9300
C13' C14' . 1.385(12)
C13' C12 . 1.395(11)
C13' H13' . 0.9300
C14' C15' . 1.373(13)
C14' H14' . 0.9300
C15' H15' . 0.9300
C12 C16 . 1.499(9)
C16 O7 . 1.253(7)
C16 O8 . 1.260(7)
C17 O10 . 1.256(7)
C17 O9 . 1.259(7)
C17 C18 . 1.515(8)
C18 C19 . 1.383(9)
C18 C23 . 1.388(9)
C19 C20 . 1.371(10)
C19 H19 . 0.9300
C20 C21 . 1.384(10)
C20 H20 . 0.9300
C21 C22 . 1.385(9)
C21 H21 . 0.9300
C22 C23 . 1.386(9)
C22 C24 . 1.500(9)
C23 H23 . 0.9300
C24 O12 . 1.251(7)
C24 O11 . 1.254(7)
O1 Tb1 . 2.465(4)
O1 Tb2 . 2.882(4)
O2 Tb2 . 2.420(4)
O3 Tb1 2_655 2.258(4)
O4 Tb2 2_655 2.338(5)
O5 Tb1 . 2.271(4)
O6 Tb2 2_655 2.258(5)
O7 Tb2 1_565 2.352(4)
O8 Tb1 2_655 2.370(4)
O9 Tb1 . 2.329(4)
O10 Tb2 . 2.369(4)
O11 Tb2 3_755 2.299(5)
O12 Tb1 4_665 2.310(4)
O1W Tb1 . 2.354(5)
O1W H1W . 0.818(10)
O1W H2W . 0.819(10)
O2W Tb2 . 2.513(5)
O2W H3W . 0.823(10)
O2W H4W . 0.822(10)
Tb1 O3 2_645 2.258(4)
Tb1 O12 4_566 2.310(4)
Tb1 O8 2_645 2.370(4)
Tb2 O6 2_645 2.258(5)
Tb2 O11 3_755 2.299(5)
Tb2 O4 2_645 2.338(5)
Tb2 O7 1_545 2.352(4)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1W H1W O7 3_665 0.818(10) 2.04(4) 2.789(7) 151(7)
O1W H2W O4 4_565 0.819(10) 2.29(4) 3.020(7) 149(7)
O2W H3W O2 3_755 0.823(10) 1.959(14) 2.780(7) 176(9)
C3 H3 O8 2_645 0.93 2.35 3.257(8) 164.3
C11' H11' O1 2_655 0.93 2.39 3.284(10) 160.8
