#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/91/2219162.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_2219162
loop_
_publ_author_name
'Huang, Xiao-Hui'
'Pan, Wei-Bo'
'Xu, Xiao-Hong'
'Zeng, Rong-Hua'
_publ_section_title
;catena-Poly[[[diaquaterbium(III)]-tri-μ₂-isonicotinato-κ⁶O:O']
 tris(perchlorate) monohydrate]
;
_journal_coeditor_code           RZ2238
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1098
_journal_page_last               m1099
_journal_paper_doi               10.1107/S1600536808023623
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Tb (C6 H5 N O2)3 (H2 O)2] (Cl O4)3, H2 O'
_chemical_formula_moiety         'C18 H19 N3 O8 Tb 3+, 3(Cl O4 -), H2 O'
_chemical_formula_sum            'C18 H21 Cl3 N3 O21 Tb'
_chemical_formula_weight         880.65
_chemical_name_systematic
;
catena-Poly[[[diaquaterbium(III)]-tri-μ₂-isonicotinato-
κ⁶O:O'] tris(perchlorate) monohydrate]
;
_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                104.402(2)
_cell_angle_beta                 91.480(2)
_cell_angle_gamma                111.159(2)
_cell_formula_units_Z            2
_cell_length_a                   9.5270(4)
_cell_length_b                   10.9508(4)
_cell_length_c                   15.1309(6)
_cell_measurement_reflns_used    6377
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      1.66
_cell_volume                     1414.17(10)
_computing_cell_refinement       'APEX2 (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEXII 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  0.0236
_diffrn_reflns_av_sigmaI/netI    0.0257
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19700
_diffrn_reflns_theta_full        27.77
_diffrn_reflns_theta_max         27.77
_diffrn_reflns_theta_min         2.08
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.884
_exptl_absorpt_correction_T_max  0.6455
_exptl_absorpt_correction_T_min  0.5662
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.068
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             868
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.945
_refine_diff_density_min         -0.786
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         6605
_refine_ls_number_restraints     77
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0227
_refine_ls_R_factor_gt           0.0205
_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)+(0.0210P)²+1.1255P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0474
_refine_ls_wR_factor_ref         0.0484
_reflns_number_gt                6206
_reflns_number_total             6605
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            rz2238.cif
_cod_data_source_block           I
_cod_database_code               2219162
_cod_database_fobs_code          2219162
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.5075(3) 0.5494(2) 0.34089(15) 0.0209(4) Uani d . 1 . .
C C2 0.5770(3) 0.5734(2) 0.25475(15) 0.0226(5) Uani d . 1 . .
C C3 0.5067(3) 0.6111(3) 0.19077(17) 0.0316(5) Uani d . 1 . .
H H3 0.4147 0.6209 0.1997 0.038 Uiso calc R 1 . .
C C4 0.5740(4) 0.6338(3) 0.11420(19) 0.0421(7) Uani d . 1 . .
H H4 0.5284 0.6602 0.0712 0.051 Uiso calc R 1 . .
C C5 0.7756(4) 0.5802(3) 0.1610(2) 0.0432(7) Uani d . 1 . .
H H5 0.8660 0.5686 0.1494 0.052 Uiso calc R 1 . .
C C6 0.7134(3) 0.5586(3) 0.23913(19) 0.0331(6) Uani d . 1 . .
H H6 0.7626 0.5341 0.2815 0.040 Uiso calc R 1 . .
C C7 0.5896(3) 0.7590(2) 0.58623(15) 0.0212(4) Uani d . 1 . .
C C8 0.6542(3) 0.9101(2) 0.63494(16) 0.0231(5) Uani d . 1 . .
C C9 0.5830(3) 0.9941(3) 0.6193(2) 0.0358(6) Uani d . 1 . .
H H9 0.4924 0.9581 0.5800 0.043 Uiso calc R 1 . .
C C10 0.6474(4) 1.1312(3) 0.6624(2) 0.0416(7) Uani d . 1 . .
H H10 0.6011 1.1889 0.6520 0.050 Uiso calc R 1 . .
C C11 0.8452(4) 1.1036(3) 0.7370(2) 0.0510(8) Uani d . 1 . .
H H11 0.9340 1.1423 0.7781 0.061 Uiso calc R 1 . .
C C12 0.7861(3) 0.9652(3) 0.6950(2) 0.0386(7) Uani d . 1 . .
H H12 0.8347 0.9101 0.7071 0.046 Uiso calc R 1 . .
C C13 -0.0791(2) 0.3637(2) 0.35190(15) 0.0189(4) Uani d . 1 . .
C C14 -0.1596(3) 0.2516(2) 0.26504(15) 0.0214(4) Uani d . 1 . .
C C15 -0.3153(3) 0.2093(3) 0.24151(18) 0.0316(6) Uani d . 1 . .
H H15 -0.3706 0.2529 0.2772 0.038 Uiso calc R 1 . .
C C16 -0.3860(4) 0.1024(3) 0.1649(2) 0.0432(7) Uani d . 1 . .
H H16 -0.4903 0.0716 0.1489 0.052 Uiso calc R 1 . .
C C17 -0.1552(4) 0.0837(3) 0.13243(19) 0.0426(7) Uani d . 1 . .
H H17 -0.1023 0.0413 0.0934 0.051 Uiso calc R 1 . .
C C18 -0.0790(3) 0.1880(3) 0.20941(17) 0.0314(5) Uani d . 1 . .
H H18 0.0252 0.2155 0.2239 0.038 Uiso calc R 1 . .
Cl Cl1 0.19389(9) 0.70180(8) 0.03011(5) 0.04494(17) Uani d . 1 . .
Cl Cl2 0.29246(9) 0.22081(7) 0.09772(5) 0.04040(16) Uani d . 1 . .
N N1 0.7053(3) 0.6179(3) 0.10183(17) 0.0461(7) Uani d . 1 . .
H H1 0.7463 0.6327 0.0536 0.055 Uiso calc R 1 . .
N N2 0.7759(3) 1.1812(2) 0.71899(18) 0.0424(6) Uani d . 1 . .
H H2 0.8156 1.2674 0.7449 0.051 Uiso calc R 1 . .
N N3 -0.3051(3) 0.0434(2) 0.11387(16) 0.0438(6) Uani d . 1 . .
H H3A -0.3514 -0.0242 0.0665 0.053 Uiso calc R 1 . .
O O1 0.3135(4) 0.8310(3) 0.0649(2) 0.0980(12) Uani d . 1 . .
O O2 0.1590(4) 0.6721(3) -0.06629(17) 0.0719(8) Uani d . 1 . .
O O3 0.0636(3) 0.7009(3) 0.0738(2) 0.0740(8) Uani d . 1 . .
O O4 0.2370(4) 0.5967(3) 0.0487(2) 0.0825(9) Uani d . 1 . .
O O5 0.4033(3) 0.2007(3) 0.03987(17) 0.0615(7) Uani d . 1 . .
O O6 0.2468(4) 0.3225(3) 0.0772(2) 0.0801(9) Uani d . 1 . .
O O7 0.3532(4) 0.2641(3) 0.19129(16) 0.0728(8) Uani d . 1 . .
O O8 0.1675(3) 0.0947(3) 0.0809(2) 0.0852(10) Uani d . 1 . .
O O13 0.37551(18) 0.54575(17) 0.34757(11) 0.0256(3) Uani d . 1 . .
O O14 0.58826(19) 0.53420(17) 0.40081(11) 0.0272(4) Uani d . 1 . .
O O15 0.45551(18) 0.70996(16) 0.54760(12) 0.0265(4) Uani d . 1 . .
O O16 0.67592(18) 0.69729(16) 0.58981(12) 0.0259(4) Uani d . 1 . .
O O17 -0.14890(19) 0.43444(17) 0.39150(11) 0.0275(4) Uani d . 1 . .
O O18 0.05161(18) 0.37668(17) 0.37767(12) 0.0281(4) Uani d . 1 . .
Tb Tb1 0.270670(11) 0.491645(10) 0.483309(7) 0.01654(4) Uani d . 1 . .
O O1W 0.1147(2) 0.53818(19) 0.22458(14) 0.0412(5) Uani d D 1 . .
H H1W 0.1025 0.4998 0.1681 0.062 Uiso d RD 1 . .
H H2W 0.1711 0.5100 0.2502 0.062 Uiso d RD 1 . .
O O2W 0.18165(19) 0.66276(17) 0.44776(12) 0.0298(4) Uani d D 1 . .
H H4W 0.0905 0.6479 0.4333 0.045 Uiso d RD 1 . .
H H3W 0.2191 0.7391 0.4861 0.045 Uiso d RD 1 . .
O O3W 0.0974(2) 0.28637(18) 0.52869(13) 0.0323(4) Uani d D 1 . .
H H5W 0.1357 0.2549 0.5636 0.048 Uiso d RD 1 . .
H H6W 0.0490 0.2213 0.4832 0.048 Uiso d RD 1 . .
Cl Cl3 0.21484(9) 0.04724(7) 0.62478(5) 0.04379(17) Uani d PD 0.561(17) . .
O O9 0.3356(12) 0.1332(11) 0.5842(9) 0.062(3) Uani d PDU 0.561(17) A .
O O10 0.3010(12) 0.0741(6) 0.7152(4) 0.065(2) Uani d PDU 0.561(17) A .
O O11 0.1764(12) -0.0885(8) 0.5784(8) 0.066(2) Uani d PDU 0.561(17) A .
O O12 0.0975(11) 0.0931(12) 0.6326(9) 0.109(4) Uani d PDU 0.561(17) A .
Cl Cl3' 0.21484(9) 0.04724(7) 0.62478(5) 0.04379(17) Uani d PD 0.439(17) A 2
O O9' 0.2951(16) 0.1488(12) 0.5860(10) 0.056(3) Uani d PDU 0.439(17) A 2
O O10' 0.2119(17) 0.0782(8) 0.7181(5) 0.070(3) Uani d PDU 0.439(17) A 2
O O11' 0.2277(15) -0.0826(11) 0.5862(10) 0.065(3) Uani d PDU 0.439(17) A 2
O O12' 0.0520(9) 0.0154(16) 0.5847(10) 0.108(4) Uani d PDU 0.439(17) A 2
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'
Cl Cl 0.1484 0.1585 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O13 C1 O14 . . 124.7(2)
O13 C1 C2 . . 118.7(2)
O14 C1 C2 . . 116.6(2)
C6 C2 C3 . . 118.9(2)
C6 C2 C1 . . 120.1(2)
C3 C2 C1 . . 121.0(2)
C4 C3 C2 . . 119.5(3)
C4 C3 H3 . . 120.3
C2 C3 H3 . . 120.3
N1 C4 C3 . . 119.6(3)
N1 C4 H4 . . 120.2
C3 C4 H4 . . 120.2
N1 C5 C6 . . 119.4(3)
N1 C5 H5 . . 120.3
C6 C5 H5 . . 120.3
C5 C6 C2 . . 119.8(3)
C5 C6 H6 . . 120.1
C2 C6 H6 . . 120.1
O16 C7 O15 . . 127.4(2)
O16 C7 C8 . . 116.1(2)
O15 C7 C8 . . 116.6(2)
C12 C8 C9 . . 119.3(2)
C12 C8 C7 . . 119.7(2)
C9 C8 C7 . . 121.0(2)
C10 C9 C8 . . 119.3(3)
C10 C9 H9 . . 120.3
C8 C9 H9 . . 120.3
N2 C10 C9 . . 119.7(3)
N2 C10 H10 . . 120.1
C9 C10 H10 . . 120.1
N2 C11 C12 . . 120.1(3)
N2 C11 H11 . . 120.0
C12 C11 H11 . . 120.0
C8 C12 C11 . . 119.0(3)
C8 C12 H12 . . 120.5
C11 C12 H12 . . 120.5
O18 C13 O17 . . 125.8(2)
O18 C13 C14 . . 116.4(2)
O17 C13 C14 . . 117.84(19)
C18 C14 C15 . . 119.4(2)
C18 C14 C13 . . 120.0(2)
C15 C14 C13 . . 120.6(2)
C16 C15 C14 . . 119.1(3)
C16 C15 H15 . . 120.5
C14 C15 H15 . . 120.5
N3 C16 C15 . . 119.7(3)
N3 C16 H16 . . 120.2
C15 C16 H16 . . 120.2
N3 C17 C18 . . 119.7(3)
N3 C17 H17 . . 120.1
C18 C17 H17 . . 120.1
C17 C18 C14 . . 119.0(3)
C17 C18 H18 . . 120.5
C14 C18 H18 . . 120.5
O2 Cl1 O1 . . 110.4(2)
O2 Cl1 O3 . . 109.95(19)
O1 Cl1 O3 . . 109.64(19)
O2 Cl1 O4 . . 108.26(17)
O1 Cl1 O4 . . 110.4(2)
O3 Cl1 O4 . . 108.2(2)
O7 Cl2 O8 . . 108.89(19)
O7 Cl2 O6 . . 109.02(18)
O8 Cl2 O6 . . 111.1(2)
O7 Cl2 O5 . . 110.65(18)
O8 Cl2 O5 . . 108.17(17)
O6 Cl2 O5 . . 109.06(17)
C5 N1 C4 . . 122.8(2)
C5 N1 H1 . . 118.6
C4 N1 H1 . . 118.6
C11 N2 C10 . . 122.6(2)
C11 N2 H2 . . 118.7
C10 N2 H2 . . 118.7
C16 N3 C17 . . 123.1(2)
C16 N3 H3A . . 118.5
C17 N3 H3A . . 118.5
C1 O13 Tb1 . . 115.63(14)
C1 O14 Tb1 . 2_666 177.12(16)
C7 O15 Tb1 . . 136.30(15)
C7 O16 Tb1 . 2_666 144.47(15)
C13 O17 Tb1 . 2_566 152.03(16)
C13 O18 Tb1 . . 148.90(15)
O14 Tb1 O16 2_666 2_666 76.86(6)
O14 Tb1 O18 2_666 . 142.30(6)
O16 Tb1 O18 2_666 . 81.76(6)
O14 Tb1 O15 2_666 . 75.81(6)
O16 Tb1 O15 2_666 . 124.12(6)
O18 Tb1 O15 . . 141.36(6)
O14 Tb1 O17 2_666 2_566 81.73(6)
O16 Tb1 O17 2_666 2_566 140.19(6)
O18 Tb1 O17 . 2_566 95.97(6)
O15 Tb1 O17 . 2_566 81.27(6)
O14 Tb1 O13 2_666 . 122.25(6)
O16 Tb1 O13 2_666 . 76.08(6)
O18 Tb1 O13 . . 81.06(6)
O15 Tb1 O13 . . 78.95(6)
O17 Tb1 O13 2_566 . 143.18(6)
O14 Tb1 O2W 2_666 . 140.16(6)
O16 Tb1 O2W 2_666 . 140.79(6)
O18 Tb1 O2W . . 71.74(6)
O15 Tb1 O2W . . 70.71(6)
O17 Tb1 O2W 2_566 . 72.52(6)
O13 Tb1 O2W . . 71.74(6)
O14 Tb1 O3W 2_666 . 73.90(6)
O16 Tb1 O3W 2_666 . 71.06(6)
O18 Tb1 O3W . . 69.91(6)
O15 Tb1 O3W . . 141.20(6)
O17 Tb1 O3W 2_566 . 70.93(6)
O13 Tb1 O3W . . 138.50(6)
O2W Tb1 O3W . . 122.65(6)
H1W O1W H2W . . 107.2
Tb1 O2W H4W . . 123.7
Tb1 O2W H3W . . 113.6
H4W O2W H3W . . 107.2
Tb1 O3W H5W . . 118.0
Tb1 O3W H6W . . 112.5
H5W O3W H6W . . 106.9
O10' Cl3 O12 . . 78.8(5)
O10' Cl3 O9' . . 119.3(7)
O12 Cl3 O9' . . 91.0(7)
O10' Cl3 O11 . . 117.0(7)
O12 Cl3 O11 . . 116.2(5)
O9' Cl3 O11 . . 121.0(9)
O10' Cl3 O11' . . 113.6(7)
O12 Cl3 O11' . . 135.4(6)
O9' Cl3 O11' . . 114.8(8)
O10' Cl3 O9 . . 121.1(7)
O12 Cl3 O9 . . 110.0(5)
O11 Cl3 O9 . . 110.2(6)
O11' Cl3 O9 . . 99.6(8)
O12 Cl3 O10 . . 112.4(4)
O9' Cl3 O10 . . 107.3(8)
O11 Cl3 O10 . . 108.0(5)
O11' Cl3 O10 . . 94.6(6)
O9 Cl3 O10 . . 98.6(6)
O10' Cl3 O12' . . 104.2(6)
O9' Cl3 O12' . . 100.7(7)
O11 Cl3 O12' . . 81.5(6)
O11' Cl3 O12' . . 100.6(5)
O9 Cl3 O12' . . 116.1(6)
O10 Cl3 O12' . . 138.6(5)
O10' O10 Cl3 . . 65.4(6)
O12' O12 Cl3 . . 81.1(7)
O12' O12 O10' . . 115.2(10)
Cl3 O12 O10' . . 50.4(3)
O10 O10' Cl3 . . 79.5(7)
O10 O10' O12 . . 127.9(9)
Cl3 O10' O12 . . 50.8(4)
O12 O12' Cl3 . . 62.5(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 O13 . 1.251(3)
C1 O14 . 1.255(3)
C1 C2 . 1.515(3)
C2 C6 . 1.385(3)
C2 C3 . 1.386(3)
C3 C4 . 1.372(4)
C3 H3 . 0.9300
C4 N1 . 1.336(4)
C4 H4 . 0.9300
C5 N1 . 1.332(4)
C5 C6 . 1.370(4)
C5 H5 . 0.9300
C6 H6 . 0.9300
C7 O16 . 1.246(3)
C7 O15 . 1.254(3)
C7 C8 . 1.515(3)
C8 C12 . 1.375(4)
C8 C9 . 1.383(4)
C9 C10 . 1.372(4)
C9 H9 . 0.9300
C10 N2 . 1.327(4)
C10 H10 . 0.9300
C11 N2 . 1.321(4)
C11 C12 . 1.380(4)
C11 H11 . 0.9300
C12 H12 . 0.9300
C13 O18 . 1.242(3)
C13 O17 . 1.250(3)
C13 C14 . 1.512(3)
C14 C18 . 1.382(3)
C14 C15 . 1.391(3)
C15 C16 . 1.372(4)
C15 H15 . 0.9300
C16 N3 . 1.323(4)
C16 H16 . 0.9300
C17 N3 . 1.333(4)
C17 C18 . 1.373(4)
C17 H17 . 0.9300
C18 H18 . 0.9300
Cl1 O2 . 1.416(3)
Cl1 O1 . 1.419(3)
Cl1 O3 . 1.419(3)
Cl1 O4 . 1.438(3)
Cl2 O7 . 1.411(2)
Cl2 O8 . 1.419(3)
Cl2 O6 . 1.428(3)
Cl2 O5 . 1.432(2)
N1 H1 . 0.8600
N2 H2 . 0.8600
N3 H3A . 0.8600
O13 Tb1 . 2.4189(16)
O14 Tb1 2_666 2.3152(16)
O15 Tb1 . 2.3406(15)
O16 Tb1 2_666 2.3268(16)
O17 Tb1 2_566 2.3702(16)
O18 Tb1 . 2.3293(15)
Tb1 O14 2_666 2.3152(16)
Tb1 O16 2_666 2.3268(16)
Tb1 O17 2_566 2.3701(16)
Tb1 O2W . 2.4789(17)
Tb1 O3W . 2.5292(17)
O1W H1W . 0.8376
O1W H2W . 0.8389
O2W H4W . 0.8361
O2W H3W . 0.8339
O3W H5W . 0.8383
O3W H6W . 0.8343
Cl3 O10' . 1.371(7)
Cl3 O12 . 1.378(6)
Cl3 O9' . 1.378(9)
Cl3 O11 . 1.382(8)
Cl3 O11' . 1.447(9)
Cl3 O9 . 1.459(8)
Cl3 O10 . 1.484(6)
Cl3 O12' . 1.534(8)
O10 O10' . 0.867(9)
O12 O12' . 0.921(10)
O12 O10' . 1.745(12)
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
N1 H1 O6 2_665 0.86 2.15 2.949(4) 154.3
N2 H2 O1W 2_676 0.86 1.91 2.756(3) 166.4
N3 H3A O5 2 0.86 2.07 2.902(3) 161.9
O1W H1W O4 . 0.84 2.48 3.054(4) 127.0
O1W H2W O13 . 0.84 2.26 3.030(3) 151.8
O2W H4W O3W 2_566 0.84 2.20 2.920(3) 144.5
O2W H4W O17 . 0.84 2.53 3.164(2) 133.4
O2W H3W O11 1_565 0.83 2.23 2.959(9) 146.8
O3W H5W O12 . 0.84 2.20 2.934(9) 146.4
O3W H6W O11 2_556 0.83 2.14 2.843(9) 142.4
