#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:09:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180492 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/61/7216167.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_7216167
loop_
_publ_author_name
'Jia, Li'
'Hui, Yan-Chun'
'Li, Zongsheng'
'Sun, Hao-Ling'
'Wang, Zhenqiang'
_publ_section_title
;
 Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks:
 structure and luminescence tuning
;
_journal_issue                   28
_journal_name_full               CrystEngComm
_journal_page_first              6483
_journal_paper_doi               10.1039/c4ce00360h
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C35 H24 N6 O7 Tb'
_chemical_formula_weight         799.52
_chemical_name_systematic
; 
 ? 
;
_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
_cell_angle_alpha                99.9720(10)
_cell_angle_beta                 99.6900(10)
_cell_angle_gamma                98.6670(10)
_cell_formula_units_Z            2
_cell_length_a                   7.6260(10)
_cell_length_b                   13.1170(10)
_cell_length_c                   16.1030(10)
_cell_measurement_reflns_used    4432
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.87
_cell_measurement_theta_min      2.62
_cell_volume                     1536.8(3)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0252
_diffrn_reflns_av_sigmaI/netI    0.0491
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9481
_diffrn_reflns_theta_full        27.58
_diffrn_reflns_theta_max         27.58
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    2.364
_exptl_absorpt_correction_T_max  0.7332
_exptl_absorpt_correction_T_min  0.6008
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             794
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.604
_refine_diff_density_min         -0.978
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     449
_refine_ls_number_reflns         6824
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0322
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0513P)²+0.3627P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0841
_refine_ls_wR_factor_ref         0.0924
_reflns_number_gt                6230
_reflns_number_total             6824
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce00360h2.cif
_cod_data_source_block           110416c_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7216165--7216170.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7216167
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
C1 C 0.3001(6) 0.2711(4) -0.1273(3) 0.0354(10) Uani 1 1 d .
H1 H 0.3066 0.2022 -0.1508 0.043 Uiso 1 1 calc R
C2 C 0.3207(7) 0.3498(4) -0.1780(3) 0.0451(12) Uani 1 1 d .
H2 H 0.3418 0.3326 -0.2335 0.054 Uiso 1 1 calc R
C3 C 0.3089(7) 0.4500(4) -0.1437(3) 0.0432(11) Uani 1 1 d .
H3 H 0.3224 0.5021 -0.1759 0.052 Uiso 1 1 calc R
C4 C 0.2765(6) 0.4752(3) -0.0605(3) 0.0381(10) Uani 1 1 d .
C5 C 0.2655(7) 0.5804(4) -0.0210(4) 0.0501(13) Uani 1 1 d .
H5 H 0.2797 0.6346 -0.0511 0.060 Uiso 1 1 calc R
C6 C 0.2347(7) 0.6004(4) 0.0597(4) 0.0510(13) Uani 1 1 d .
H6 H 0.2251 0.6684 0.0841 0.061 Uiso 1 1 calc R
C7 C 0.2163(6) 0.5200(3) 0.1088(3) 0.0376(10) Uani 1 1 d .
C8 C 0.1853(7) 0.5380(4) 0.1938(4) 0.0522(14) Uani 1 1 d .
H8 H 0.1777 0.6053 0.2210 0.063 Uiso 1 1 calc R
C9 C 0.1671(8) 0.4591(4) 0.2347(3) 0.0468(12) Uani 1 1 d .
H9 H 0.1457 0.4705 0.2905 0.056 Uiso 1 1 calc R
C10 C 0.1804(6) 0.3573(4) 0.1933(3) 0.0366(10) Uani 1 1 d .
H10 H 0.1677 0.3029 0.2232 0.044 Uiso 1 1 calc R
C11 C 0.2267(5) 0.4167(3) 0.0724(3) 0.0289(9) Uani 1 1 d .
C12 C 0.2600(5) 0.3938(3) -0.0147(3) 0.0280(8) Uani 1 1 d .
C13 C 0.6573(5) 0.2322(3) 0.1787(3) 0.0291(9) Uani 1 1 d .
C14 C 0.6701(6) 0.2401(4) 0.2755(3) 0.0320(9) Uani 1 1 d .
C15 C 0.5219(7) 0.2012(4) 0.3044(3) 0.0459(12) Uani 1 1 d .
H15 H 0.4138 0.1691 0.2666 0.055 Uiso 1 1 calc R
C16 C 0.5380(7) 0.2112(5) 0.3939(3) 0.0584(15) Uani 1 1 d .
H16 H 0.4407 0.1826 0.4157 0.070 Uiso 1 1 calc R
C17 C 0.8299(6) 0.2960(4) 0.4122(3) 0.0374(10) Uani 1 1 d .
C18 C 1.0004(7) 0.3459(4) 0.4740(3) 0.0396(10) Uani 1 1 d .
C19 C 1.1655(8) 0.3510(5) 0.4480(4) 0.0560(14) Uani 1 1 d .
H19 H 1.1695 0.3237 0.3912 0.067 Uiso 1 1 calc R
C20 C 1.3241(8) 0.3967(6) 0.5065(5) 0.076(2) Uani 1 1 d .
H20 H 1.4353 0.4002 0.4896 0.091 Uiso 1 1 calc R
C21 C 1.3145(9) 0.4382(5) 0.5926(4) 0.0680(18) Uani 1 1 d .
H21 H 1.4204 0.4661 0.6333 0.082 Uiso 1 1 calc R
C22 C 1.1551(9) 0.4373(6) 0.6156(4) 0.0694(18) Uani 1 1 d .
H22 H 1.1496 0.4690 0.6712 0.083 Uiso 1 1 calc R
C23 C 0.9990(8) 0.3900(5) 0.5579(3) 0.0583(15) Uani 1 1 d .
H23 H 0.8889 0.3876 0.5758 0.070 Uiso 1 1 calc R
C24 C -0.0117(5) 0.0322(3) 0.1548(2) 0.0247(8) Uani 1 1 d .
C25 C -0.0689(6) 0.0280(3) 0.2393(2) 0.0271(8) Uani 1 1 d .
C26 C 0.0484(7) 0.0727(4) 0.3157(3) 0.0426(11) Uani 1 1 d .
H26 H 0.1615 0.1122 0.3175 0.051 Uiso 1 1 calc R
C27 C -0.0105(8) 0.0558(5) 0.3908(3) 0.0535(14) Uani 1 1 d .
H27 H 0.0700 0.0793 0.4433 0.064 Uiso 1 1 calc R
C28 C -0.2822(6) -0.0292(4) 0.3133(3) 0.0331(9) Uani 1 1 d .
C29 C -0.4701(6) -0.0790(4) 0.3114(3) 0.0386(10) Uani 1 1 d .
C30 C -0.5259(8) -0.0960(5) 0.3876(4) 0.0600(16) Uani 1 1 d .
H30 H -0.4431 -0.0776 0.4397 0.072 Uiso 1 1 calc R
C31 C -0.7027(9) -0.1399(6) 0.3852(4) 0.075(2) Uani 1 1 d .
H31 H -0.7395 -0.1487 0.4361 0.090 Uiso 1 1 calc R
C32 C -0.8252(7) -0.1708(5) 0.3089(4) 0.0525(14) Uani 1 1 d .
H32 H -0.9435 -0.2022 0.3080 0.063 Uiso 1 1 calc R
C33 C -0.7743(7) -0.1558(4) 0.2350(3) 0.0436(11) Uani 1 1 d .
H33 H -0.8584 -0.1764 0.1834 0.052 Uiso 1 1 calc R
C34 C -0.5976(6) -0.1097(4) 0.2348(3) 0.0361(10) Uani 1 1 d .
H34 H -0.5647 -0.0995 0.1834 0.043 Uiso 1 1 calc R
C35 C 0.5416(5) 0.0368(3) -0.0278(2) 0.0200(7) Uani 1 1 d .
Tb1 Tb 0.23852(2) 0.151979(13) 0.038916(10) 0.01952(7) Uani 1 1 d .
N1 N 0.2723(4) 0.2936(3) -0.0486(2) 0.0264(7) Uani 1 1 d .
N2 N 0.2095(5) 0.3358(3) 0.1152(2) 0.0266(7) Uani 1 1 d .
N3 N 0.6906(6) 0.2610(4) 0.4476(3) 0.0537(12) Uani 1 1 d .
N4 N 0.8273(5) 0.2863(3) 0.3276(2) 0.0338(8) Uani 1 1 d .
N5 N -0.1738(6) 0.0082(4) 0.3898(2) 0.0463(10) Uani 1 1 d .
N6 N -0.2350(5) -0.0232(3) 0.2372(2) 0.0299(7) Uani 1 1 d .
O1 O 0.4968(4) 0.2235(3) 0.13783(19) 0.0379(7) Uani 1 1 d .
O2 O 0.7950(4) 0.2368(3) 0.1495(2) 0.0488(9) Uani 1 1 d .
O3 O 0.1165(4) 0.1071(2) 0.15545(17) 0.0277(6) Uani 1 1 d .
O4 O -0.0897(4) -0.0366(2) 0.09004(17) 0.0317(6) Uani 1 1 d .
O5 O 0.6690(4) 0.0080(2) -0.05986(17) 0.0251(6) Uani 1 1 d .
O6 O 0.4783(4) 0.1167(2) -0.03364(17) 0.0258(6) Uani 1 1 d .
O7 O -0.0670(4) 0.1842(2) 0.00519(19) 0.0279(6) Uani 1 1 d D
H7A H -0.138(12) 0.148(7) 0.038(5) 0.17(3) Uiso 1 1 d D
H7B H -0.125(12) 0.161(7) -0.0526(19) 0.17(3) 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'
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
N1 C1 C2 121.7(4) . .
N1 C1 H1 119.1 . .
C2 C1 H1 119.1 . .
C3 C2 C1 118.9(4) . .
C3 C2 H2 120.6 . .
C1 C2 H2 120.6 . .
C2 C3 C4 120.3(4) . .
C2 C3 H3 119.8 . .
C4 C3 H3 119.8 . .
C3 C4 C12 117.3(4) . .
C3 C4 C5 122.3(5) . .
C12 C4 C5 120.3(5) . .
C6 C5 C4 119.8(5) . .
C6 C5 H5 120.1 . .
C4 C5 H5 120.1 . .
C5 C6 C7 121.9(4) . .
C5 C6 H6 119.1 . .
C7 C6 H6 119.1 . .
C11 C7 C8 116.7(4) . .
C11 C7 C6 119.7(4) . .
C8 C7 C6 123.5(4) . .
C9 C8 C7 120.0(4) . .
C9 C8 H8 120.0 . .
C7 C8 H8 120.0 . .
C8 C9 C10 119.6(5) . .
C8 C9 H9 120.2 . .
C10 C9 H9 120.2 . .
N2 C10 C9 123.3(4) . .
N2 C10 H10 118.3 . .
C9 C10 H10 118.3 . .
N2 C11 C7 123.1(4) . .
N2 C11 C12 117.9(4) . .
C7 C11 C12 119.1(4) . .
N1 C12 C4 122.5(4) . .
N1 C12 C11 118.3(4) . .
C4 C12 C11 119.2(4) . .
O2 C13 O1 127.4(4) . .
O2 C13 C14 119.4(4) . .
O1 C13 C14 113.1(4) . .
N4 C14 C15 123.1(4) . .
N4 C14 C13 117.9(4) . .
C15 C14 C13 119.0(4) . .
C14 C15 C16 117.4(5) . .
C14 C15 H15 121.3 . .
C16 C15 H15 121.3 . .
N3 C16 C15 120.8(5) . .
N3 C16 H16 119.6 . .
C15 C16 H16 119.6 . .
N4 C17 N3 125.8(4) . .
N4 C17 C18 118.9(4) . .
N3 C17 C18 115.3(4) . .
C23 C18 C19 118.5(5) . .
C23 C18 C17 121.0(5) . .
C19 C18 C17 120.5(4) . .
C20 C19 C18 120.0(6) . .
C20 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
C19 C20 C21 118.9(6) . .
C19 C20 H20 120.5 . .
C21 C20 H20 120.5 . .
C22 C21 C20 120.4(6) . .
C22 C21 H21 119.8 . .
C20 C21 H21 119.8 . .
C21 C22 C23 120.3(6) . .
C21 C22 H22 119.8 . .
C23 C22 H22 119.8 . .
C22 C23 C18 121.7(6) . .
C22 C23 H23 119.1 . .
C18 C23 H23 119.1 . .
O4 C24 O3 124.7(4) . .
O4 C24 C25 119.0(4) . .
O3 C24 C25 116.3(3) . .
N6 C25 C26 121.4(4) . .
N6 C25 C24 117.8(3) . .
C26 C25 C24 120.8(4) . .
C25 C26 C27 116.7(4) . .
C25 C26 H26 121.7 . .
C27 C26 H26 121.7 . .
N5 C27 C26 122.4(4) . .
N5 C27 H27 118.8 . .
C26 C27 H27 118.8 . .
N5 C28 N6 125.0(4) . .
N5 C28 C29 117.8(4) . .
N6 C28 C29 117.2(4) . .
C34 C29 C30 118.0(5) . .
C34 C29 C28 121.4(4) . .
C30 C29 C28 120.6(4) . .
C31 C30 C29 120.0(5) . .
C31 C30 H30 120.0 . .
C29 C30 H30 120.0 . .
C32 C31 C30 120.9(5) . .
C32 C31 H31 119.5 . .
C30 C31 H31 119.5 . .
C33 C32 C31 120.0(5) . .
C33 C32 H32 120.0 . .
C31 C32 H32 120.0 . .
C32 C33 C34 120.9(5) . .
C32 C33 H33 119.5 . .
C34 C33 H33 119.5 . .
C29 C34 C33 120.2(4) . .
C29 C34 H34 119.9 . .
C33 C34 H34 119.9 . .
O6 C35 O5 127.5(3) . .
O6 C35 C35 117.1(4) . 2_655
O5 C35 C35 115.4(4) . 2_655
O1 Tb1 O4 149.83(11) . 2
O1 Tb1 O3 85.76(10) . .
O4 Tb1 O3 110.69(10) 2 .
O1 Tb1 O5 82.49(11) . 2_655
O4 Tb1 O5 78.34(10) 2 2_655
O3 Tb1 O5 74.11(9) . 2_655
O1 Tb1 O6 75.05(10) . .
O4 Tb1 O6 76.23(10) 2 .
O3 Tb1 O6 139.13(9) . .
O5 Tb1 O6 67.92(9) 2_655 .
O1 Tb1 O7 137.88(10) . .
O4 Tb1 O7 71.87(10) 2 .
O3 Tb1 O7 77.73(9) . .
O5 Tb1 O7 127.83(9) 2_655 .
O6 Tb1 O7 138.80(9) . .
O1 Tb1 N1 94.67(11) . .
O4 Tb1 N1 86.94(11) 2 .
O3 Tb1 N1 142.89(10) . .
O5 Tb1 N1 142.83(10) 2_655 .
O6 Tb1 N1 75.52(10) . .
O7 Tb1 N1 77.38(10) . .
O1 Tb1 N2 71.17(11) . .
O4 Tb1 N2 134.81(10) 2 .
O3 Tb1 N2 80.36(10) . .
O5 Tb1 N2 144.43(10) 2_655 .
O6 Tb1 N2 124.42(10) . .
O7 Tb1 N2 68.02(10) . .
N1 Tb1 N2 64.94(11) . .
C1 N1 C12 119.2(4) . .
C1 N1 Tb1 120.6(3) . .
C12 N1 Tb1 120.2(3) . .
C10 N2 C11 117.3(4) . .
C10 N2 Tb1 124.0(3) . .
C11 N2 Tb1 118.7(3) . .
C16 N3 C17 116.9(4) . .
C14 N4 C17 115.9(4) . .
C27 N5 C28 117.2(4) . .
C25 N6 C28 117.1(4) . .
C13 O1 Tb1 158.3(3) . .
C24 O3 Tb1 128.6(2) . .
C24 O4 Tb1 174.3(3) . 2
C35 O5 Tb1 120.2(2) . 2_655
C35 O6 Tb1 119.4(2) . .
Tb1 O7 H7A 108(6) . .
Tb1 O7 H7B 115(6) . .
H7A O7 H7B 107(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.312(5) .
C1 C2 1.428(6) .
C1 H1 0.9300 .
C2 C3 1.357(7) .
C2 H2 0.9300 .
C3 C4 1.396(7) .
C3 H3 0.9300 .
C4 C12 1.401(6) .
C4 C5 1.437(7) .
C5 C6 1.349(8) .
C5 H5 0.9300 .
C6 C7 1.428(7) .
C6 H6 0.9300 .
C7 C11 1.399(6) .
C7 C8 1.414(7) .
C8 C9 1.322(8) .
C8 H8 0.9300 .
C9 C10 1.411(6) .
C9 H9 0.9300 .
C10 N2 1.304(5) .
C10 H10 0.9300 .
C11 N2 1.364(5) .
C11 C12 1.455(6) .
C12 N1 1.356(6) .
C13 O2 1.218(5) .
C13 O1 1.266(5) .
C13 C14 1.530(6) .
C14 N4 1.333(5) .
C14 C15 1.357(6) .
C15 C16 1.407(7) .
C15 H15 0.9300 .
C16 N3 1.329(7) .
C16 H16 0.9300 .
C17 N4 1.342(5) .
C17 N3 1.346(6) .
C17 C18 1.481(7) .
C18 C23 1.377(7) .
C18 C19 1.388(8) .
C19 C20 1.383(8) .
C19 H19 0.9300 .
C20 C21 1.418(9) .
C20 H20 0.9300 .
C21 C22 1.328(9) .
C21 H21 0.9300 .
C22 C23 1.368(8) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 O4 1.249(5) .
C24 O3 1.274(5) .
C24 C25 1.504(5) .
C25 N6 1.334(5) .
C25 C26 1.371(6) .
C26 C27 1.400(7) .
C26 H26 0.9300 .
C27 N5 1.302(6) .
C27 H27 0.9300 .
C28 N5 1.329(6) .
C28 N6 1.347(5) .
C28 C29 1.475(6) .
C29 C34 1.390(6) .
C29 C30 1.407(6) .
C30 C31 1.375(8) .
C30 H30 0.9300 .
C31 C32 1.369(8) .
C31 H31 0.9300 .
C32 C33 1.349(7) .
C32 H32 0.9300 .
C33 C34 1.391(6) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 O6 1.230(4) .
C35 O5 1.251(4) .
C35 C35 1.563(7) 2_655
Tb1 O1 2.273(3) .
Tb1 O4 2.344(3) 2
Tb1 O3 2.354(3) .
Tb1 O5 2.372(3) 2_655
Tb1 O6 2.390(3) .
Tb1 O7 2.419(3) .
Tb1 N1 2.527(3) .
Tb1 N2 2.568(3) .
O4 Tb1 2.344(3) 2
O5 Tb1 2.372(3) 2_655
O7 H7A 0.96(2) .
O7 H7B 0.94(2) .
