#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:20:51 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178946 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/75/4117580.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_4117580
loop_
_publ_author_name
'Yuanjing Cui'
'Hui Xu'
'Yanfeng Yue'
'Zhiyong Guo'
'Jiancan Yu'
'Zhenxia Chen'
'Junkuo Gao'
'Yu Yang'
'Guodong Qian'
'Banglin Chen'
_publ_section_title
;
 A Luminescent Mixed-Lanthanide Metal-Organic Framework Thermometer
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3979
_journal_page_last               3982
_journal_paper_doi               10.1021/ja2108036
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'C33 H41 N O24 Tb2'
_chemical_formula_weight         1153.51
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2011-11-09 # Formatted by publCIF
;
_cell_angle_alpha                90.00
_cell_angle_beta                 104.274(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.9094(12)
_cell_length_b                   20.885(3)
_cell_length_c                   19.509(2)
_cell_measurement_reflns_used    9707
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.58
_cell_volume                     3912.9(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0234
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            27733
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    3.681
_exptl_absorpt_correction_T_max  0.7098
_exptl_absorpt_correction_T_min  0.5264
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.958
_exptl_crystal_description       column
_exptl_crystal_F_000             2272
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.862
_refine_diff_density_min         -3.175
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     546
_refine_ls_number_reflns         8957
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0370
_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)+(0.0163P)²+24.2997P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0850
_reflns_number_gt                7817
_reflns_number_total             8957
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja2108036_si_003.cif
_cod_data_source_block           Tb-DMBDC
_cod_original_sg_symbol_H-M      'P 1 21/c 1 '
_cod_database_code               4117580
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Tb1 Tb 0.688728(19) 0.878079(8) 0.769969(9) 0.01756(6) Uani 1 1 d .
Tb2 Tb 0.19800(2) 0.875942(14) 0.765764(12) 0.03624(7) Uani 1 1 d .
C1 C 0.7510(6) 0.8330(2) 0.9111(2) 0.0378(11) Uani 1 1 d .
C2 C 0.7848(6) 0.8034(3) 0.9839(2) 0.0396(12) Uani 1 1 d .
C3 C 0.9231(6) 0.7942(3) 1.0167(3) 0.0512(15) Uani 1 1 d .
H3A H 0.9908 0.8084 0.9947 0.061 Uiso 1 1 calc R
C4 C 0.9637(6) 0.7641(3) 1.0824(3) 0.0506(15) Uani 1 1 d .
C5 C 0.8623(6) 0.7408(2) 1.1144(2) 0.0375(11) Uani 1 1 d .
C6 C 0.7238(6) 0.7509(3) 1.0815(3) 0.0416(12) Uani 1 1 d .
H6A H 0.6558 0.7361 1.1030 0.050 Uiso 1 1 calc R
C7 C 0.6835(6) 0.7828(3) 1.0169(3) 0.0434(12) Uani 1 1 d .
C8 C 0.8948(6) 0.7020(2) 1.1814(2) 0.0357(11) Uani 1 1 d .
C9 C 0.4488(10) 0.7615(7) 1.0010(9) 0.204(10) Uani 1 1 d .
H9A H 0.3603 0.7746 0.9719 0.307 Uiso 1 1 calc R
H9B H 0.4514 0.7694 1.0498 0.307 Uiso 1 1 calc R
H9C H 0.4621 0.7166 0.9943 0.307 Uiso 1 1 calc R
C10 C 1.1963(8) 0.7889(5) 1.0919(4) 0.085(3) Uani 1 1 d .
H10A H 1.2876 0.7775 1.1191 0.128 Uiso 1 1 calc R
H10B H 1.1810 0.8338 1.0976 0.128 Uiso 1 1 calc R
H10C H 1.1888 0.7798 1.0428 0.128 Uiso 1 1 calc R
C11 C 0.4364(5) 0.9927(2) 0.7693(2) 0.0338(10) Uani 1 1 d .
C12 C 0.4657(5) 1.0632(2) 0.7647(3) 0.0413(13) Uani 1 1 d .
C13 C 0.5928(6) 1.0795(2) 0.7507(3) 0.0462(14) Uani 1 1 d .
H13A H 0.6557 1.0472 0.7480 0.055 Uiso 1 1 calc R
C14 C 0.6284(6) 1.1422(3) 0.7408(4) 0.0526(16) Uani 1 1 d .
C15 C 0.5348(6) 1.1921(3) 0.7453(4) 0.0550(18) Uani 1 1 d .
C16 C 0.4108(7) 1.1757(3) 0.7599(4) 0.061(2) Uani 1 1 d .
H16A H 0.3486 1.2083 0.7633 0.073 Uiso 1 1 calc R
C17 C 0.3735(6) 1.1130(3) 0.7700(4) 0.0535(16) Uani 1 1 d .
C18 C 0.5604(8) 1.2621(3) 0.7367(3) 0.061(2) Uani 1 1 d .
C19 C 0.8615(7) 1.1127(4) 0.7414(5) 0.075(2) Uani 1 1 d .
H19A H 0.9410 1.1293 0.7274 0.112 Uiso 1 1 calc R
H19B H 0.8321 1.0734 0.7166 0.112 Uiso 1 1 calc R
H19C H 0.8858 1.1048 0.7914 0.112 Uiso 1 1 calc R
C20 C 0.2387(10) 1.0801(4) 0.8501(5) 0.089(3) Uani 1 1 d .
H20A H 0.1436 1.0755 0.8525 0.134 Uiso 1 1 calc R
H20B H 0.2852 1.1100 0.8855 0.134 Uiso 1 1 calc R
H20C H 0.2846 1.0394 0.8583 0.134 Uiso 1 1 calc R
C21 C 0.3669(6) 0.9518(4) 1.0395(3) 0.066(2) Uani 1 1 d .
H21A H 0.4441 0.9310 1.0272 0.098 Uiso 1 1 calc R
H21B H 0.3508 0.9325 1.0814 0.098 Uiso 1 1 calc R
H21C H 0.3877 0.9964 1.0481 0.098 Uiso 1 1 calc R
C22 C 0.1248(5) 0.9723(3) 0.9914(2) 0.0389(12) Uani 1 1 d .
C23 C 0.0042(5) 0.9709(3) 0.9353(2) 0.0370(12) Uani 1 1 d .
C24 C -0.1182(5) 0.9989(3) 0.9450(2) 0.0387(12) Uani 1 1 d .
C25 C -0.0041(5) 0.9415(3) 0.8636(2) 0.0400(13) Uani 1 1 d .
C26 C 0.5968(5) 0.9289(2) 0.6313(2) 0.0267(9) Uani 1 1 d .
C27 C 0.5427(5) 0.9639(2) 0.5625(2) 0.0273(9) Uani 1 1 d .
C28 C 0.6180(5) 1.0170(2) 0.5506(2) 0.0313(10) Uani 1 1 d .
C29 C 0.4221(5) 0.9464(2) 0.5110(2) 0.0319(10) Uani 1 1 d .
C30 C 0.2264(8) 0.8774(4) 0.4688(4) 0.090(3) Uani 1 1 d .
H30A H 0.1859 0.8392 0.4825 0.135 Uiso 1 1 calc R
H30B H 0.2501 0.8702 0.4246 0.135 Uiso 1 1 calc R
H30C H 0.1607 0.9119 0.4636 0.135 Uiso 1 1 calc R
C31 C 0.8955(18) 0.9045(8) 0.5205(8) 0.186(8) Uani 1 1 d .
H31A H 0.9731 0.9333 0.5265 0.279 Uiso 1 1 calc R
H31B H 0.9289 0.8613 0.5270 0.279 Uiso 1 1 calc R
H31C H 0.8436 0.9143 0.5547 0.279 Uiso 1 1 calc R
C32 C 0.6855(17) 0.8719(8) 0.4306(7) 0.150(6) Uani 1 1 d .
H32A H 0.6362 0.8805 0.3826 0.224 Uiso 1 1 calc R
H32B H 0.6258 0.8806 0.4615 0.224 Uiso 1 1 calc R
H32C H 0.7135 0.8278 0.4351 0.224 Uiso 1 1 calc R
C33 C 0.829(2) 0.9507(7) 0.4024(9) 0.191(10) Uani 1 1 d .
H33A H 0.7779 0.9456 0.3559 0.230 Uiso 1 1 calc R
O1 O 0.8225(5) 0.8147(2) 0.86935(19) 0.0573(12) Uani 1 1 d .
O2 O 0.6587(4) 0.87465(16) 0.89368(16) 0.0354(7) Uani 1 1 d .
O3 O 1.0133(5) 0.6804(2) 1.2031(2) 0.0670(14) Uani 1 1 d .
O4 O 0.7983(4) 0.69285(18) 1.21140(19) 0.0454(9) Uani 1 1 d .
O5 O 1.1008(6) 0.7550(3) 1.1143(3) 0.106(3) Uani 1 1 d .
O6 O 0.5475(5) 0.7938(3) 0.9835(3) 0.0746(16) Uani 1 1 d .
O7 O 0.3140(4) 0.97412(19) 0.7584(2) 0.0531(11) Uani 1 1 d .
O8 O 0.5407(4) 0.95717(17) 0.7821(2) 0.0422(9) Uani 1 1 d .
O9 O 0.4639(6) 1.2987(2) 0.7309(3) 0.0774(17) Uani 1 1 d .
O10 O 0.6799(6) 1.2817(2) 0.7371(5) 0.122(3) Uani 1 1 d .
O11 O 0.7514(5) 1.15785(19) 0.7247(3) 0.0731(16) Uani 1 1 d .
O12 O 0.2429(5) 1.1034(3) 0.7814(3) 0.0752(16) Uani 1 1 d .
O13 O -0.1214(3) 0.94088(19) 0.81980(16) 0.0365(8) Uani 1 1 d .
O14 O 0.1033(4) 0.9203(3) 0.8509(2) 0.0788(19) Uani 1 1 d .
O15 O 0.2459(4) 0.9452(2) 0.98300(19) 0.0533(11) Uani 1 1 d .
O16 O 0.7131(3) 0.94596(16) 0.67078(16) 0.0323(7) Uani 1 1 d .
O17 O 0.5271(3) 0.88534(17) 0.65097(17) 0.0368(8) Uani 1 1 d .
O18 O 0.3493(4) 0.8935(2) 0.5218(2) 0.0546(12) Uani 1 1 d .
O19' O 0.1195(12) 0.8046(6) 0.8544(6) 0.033(2) Uiso 0.33 1 d P
O19" O 0.1688(15) 0.7686(7) 0.8305(8) 0.040(3) Uiso 0.33 1 d P
O19 O 0.140(3) 0.7780(16) 0.8421(18) 0.125(13) Uiso 0.33 1 d P
O20 O 0.0291(4) 0.9536(2) 0.7008(2) 0.0506(10) Uani 1 1 d .
O21 O 0.2446(4) 0.87660(19) 0.6514(2) 0.0443(9) Uani 1 1 d .
O22 O 0.3709(4) 0.8846(3) 0.8762(2) 0.0685(15) Uani 1 1 d .
O23 O 0.907(2) 0.9900(8) 0.4139(8) 0.311(12) Uani 1 1 d .
O24 O 0.9359(12) 0.6976(6) 0.8506(7) 0.196(5) Uani 1 1 d .
N1 N 0.8056(12) 0.9118(5) 0.4493(6) 0.119(3) 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'
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
O9 Tb1 O8 95.0(2) 2_646 .
O9 Tb1 O4 85.41(19) 2_646 4_575
O8 Tb1 O4 157.06(13) . 4_575
O9 Tb1 O13 154.68(16) 2_646 1_655
O8 Tb1 O13 91.33(14) . 1_655
O4 Tb1 O13 98.04(14) 4_575 1_655
O9 Tb1 O1 80.7(2) 2_646 .
O8 Tb1 O1 123.39(13) . .
O4 Tb1 O1 79.37(13) 4_575 .
O13 Tb1 O1 75.36(16) 1_655 .
O9 Tb1 O16 128.16(15) 2_646 .
O8 Tb1 O16 81.57(12) . .
O4 Tb1 O16 80.23(13) 4_575 .
O13 Tb1 O16 77.02(11) 1_655 .
O1 Tb1 O16 142.72(14) . .
O9 Tb1 O17 76.07(15) 2_646 .
O8 Tb1 O17 76.55(14) . .
O4 Tb1 O17 81.33(13) 4_575 .
O13 Tb1 O17 129.24(12) 1_655 .
O1 Tb1 O17 150.80(14) . .
O16 Tb1 O17 52.68(10) . .
O9 Tb1 O2 75.26(15) 2_646 .
O8 Tb1 O2 71.65(12) . .
O4 Tb1 O2 130.03(13) 4_575 .
O13 Tb1 O2 83.60(12) 1_655 .
O1 Tb1 O2 52.53(12) . .
O16 Tb1 O2 146.42(12) . .
O17 Tb1 O2 134.52(12) . .
O9 Tb1 C1 75.28(17) 2_646 .
O8 Tb1 C1 97.61(14) . .
O4 Tb1 C1 104.63(15) 4_575 .
O13 Tb1 C1 79.59(14) 1_655 .
O1 Tb1 C1 26.44(14) . .
O16 Tb1 C1 156.56(14) . .
O17 Tb1 C1 150.11(14) . .
O2 Tb1 C1 26.15(13) . .
O9 Tb1 C26 102.26(16) 2_646 .
O8 Tb1 C26 76.26(13) . .
O4 Tb1 C26 81.23(13) 4_575 .
O13 Tb1 C26 103.06(13) 1_655 .
O1 Tb1 C26 160.08(13) . .
O16 Tb1 C26 26.48(12) . .
O17 Tb1 C26 26.28(12) . .
O2 Tb1 C26 147.38(12) . .
C1 Tb1 C26 173.29(15) . .
O3 Tb2 O14 100.37(16) 4_475 .
O3 Tb2 O10 84.41(19) 4_475 2_646
O14 Tb2 O10 132.0(3) . 2_646
O3 Tb2 O7 139.14(18) 4_475 .
O14 Tb2 O7 89.2(2) . .
O10 Tb2 O7 117.95(19) 2_646 .
O3 Tb2 O21 79.37(15) 4_475 .
O14 Tb2 O21 151.87(18) . .
O10 Tb2 O21 76.1(2) 2_646 .
O7 Tb2 O21 74.36(15) . .
O3 Tb2 O22 145.54(19) 4_475 .
O14 Tb2 O22 69.49(15) . .
O10 Tb2 O22 79.9(2) 2_646 .
O7 Tb2 O22 74.96(17) . .
O21 Tb2 O22 125.27(14) . .
O3 Tb2 O20 72.95(18) 4_475 .
O14 Tb2 O20 75.99(16) . .
O10 Tb2 O20 147.6(2) 2_646 .
O7 Tb2 O20 71.07(14) . .
O21 Tb2 O20 77.13(13) . .
O22 Tb2 O20 131.21(18) . .
O3 Tb2 O19' 73.8(3) 4_475 .
O14 Tb2 O19' 59.8(3) . .
O10 Tb2 O19' 76.6(4) 2_646 .
O7 Tb2 O19' 141.3(3) . .
O21 Tb2 O19' 143.1(3) . .
O22 Tb2 O19' 72.8(3) . .
O20 Tb2 O19' 117.1(3) . .
O3 Tb2 O19" 69.2(3) 4_475 .
O14 Tb2 O19" 83.3(4) . .
O10 Tb2 O19" 53.6(4) 2_646 .
O7 Tb2 O19" 151.7(3) . .
O21 Tb2 O19" 121.6(3) . .
O22 Tb2 O19" 76.8(3) . .
O20 Tb2 O19" 132.3(3) . .
O19' Tb2 O19" 23.7(5) . .
O3 Tb2 O19 69.3(8) 4_475 .
O14 Tb2 O19 73.9(7) . .
O10 Tb2 O19 63.2(7) 2_646 .
O7 Tb2 O19 150.3(7) . .
O21 Tb2 O19 130.0(7) . .
O22 Tb2 O19 76.2(7) . .
O20 Tb2 O19 125.6(7) . .
O19' Tb2 O19 14.2(7) . .
O19" Tb2 O19 9.7(8) . .
O2 C1 O1 121.8(4) . .
O2 C1 C2 121.3(5) . .
O1 C1 C2 116.9(5) . .
O2 C1 Tb1 62.2(2) . .
O1 C1 Tb1 59.8(2) . .
C2 C1 Tb1 175.2(4) . .
C3 C2 C7 119.4(4) . .
C3 C2 C1 117.4(5) . .
C7 C2 C1 123.2(5) . .
C2 C3 C4 121.3(5) . .
O5 C4 C3 120.8(6) . .
O5 C4 C5 119.6(5) . .
C3 C4 C5 119.5(5) . .
C6 C5 C4 118.8(4) . .
C6 C5 C8 117.5(5) . .
C4 C5 C8 123.6(5) . .
C5 C6 C7 121.6(5) . .
O6 C7 C2 117.8(4) . .
O6 C7 C6 122.8(5) . .
C2 C7 C6 119.3(5) . .
O3 C8 O4 123.9(4) . .
O3 C8 C5 118.5(5) . .
O4 C8 C5 117.6(5) . .
O7 C11 O8 125.1(5) . .
O7 C11 C12 119.3(4) . .
O8 C11 C12 115.6(5) . .
C13 C12 C17 117.9(5) . .
C13 C12 C11 116.5(4) . .
C17 C12 C11 125.5(5) . .
C14 C13 C12 122.2(5) . .
O11 C14 C13 122.0(5) . .
O11 C14 C15 118.2(5) . .
C13 C14 C15 119.8(6) . .
C16 C15 C14 117.7(6) . .
C16 C15 C18 116.8(5) . .
C14 C15 C18 125.5(7) . .
C15 C16 C17 123.2(5) . .
O12 C17 C16 116.9(5) . .
O12 C17 C12 123.8(6) . .
C16 C17 C12 119.2(6) . .
O9 C18 O10 121.4(6) . .
O9 C18 C15 118.4(7) . .
O10 C18 C15 120.2(5) . .
O15 C22 C24 121.2(4) . 3_577
O15 C22 C23 119.9(4) . .
C24 C22 C23 118.8(5) 3_577 .
C24 C23 C22 119.0(4) . .
C24 C23 C25 116.3(4) . .
C22 C23 C25 124.7(5) . .
C22 C24 C23 122.2(4) 3_577 .
O14 C25 O13 123.8(5) . .
O14 C25 C23 118.7(4) . .
O13 C25 C23 117.5(4) . .
O17 C26 O16 120.2(4) . .
O17 C26 C27 121.4(4) . .
O16 C26 C27 118.4(4) . .
O17 C26 Tb1 60.7(2) . .
O16 C26 Tb1 59.8(2) . .
C27 C26 Tb1 172.2(3) . .
C28 C27 C29 119.0(4) . .
C28 C27 C26 116.7(4) . .
C29 C27 C26 124.3(4) . .
C27 C28 C29 122.1(4) . 3_676
O18 C29 C28 121.8(4) . 3_676
O18 C29 C27 119.3(4) . .
C28 C29 C27 118.9(4) 3_676 .
O23 C33 N1 124.1(17) . .
C1 O1 Tb1 93.8(3) . .
C1 O2 Tb1 91.6(3) . .
C8 O3 Tb2 162.0(4) . 4_676
C8 O4 Tb1 147.0(4) . 4_576
C10 O5 C4 118.9(5) . .
C9 O6 C7 120.3(6) . .
C11 O7 Tb2 136.7(4) . .
C11 O8 Tb1 160.3(4) . .
C18 O9 Tb1 170.4(5) . 2_656
C18 O10 Tb2 140.9(4) . 2_656
C14 O11 C19 117.8(5) . .
C17 O12 C20 116.3(6) . .
C25 O13 Tb1 144.3(4) . 1_455
C25 O14 Tb2 144.9(3) . .
C22 O15 C21 117.5(4) . .
C26 O16 Tb1 93.7(2) . .
C26 O17 Tb1 93.0(2) . .
C29 O18 C30 117.9(4) . .
O19 O19' O19" 13(4) . .
O19 O19' Tb2 94(3) . .
O19" O19' Tb2 82.3(9) . .
O19' O19" Tb2 74.0(9) . .
O19' O19 Tb2 71(3) . .
C33 N1 C32 118.2(13) . .
C33 N1 C31 124.4(14) . .
C32 N1 C31 117.3(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O9 2.242(4) 2_646
Tb1 O8 2.260(3) .
Tb1 O4 2.300(3) 4_575
Tb1 O13 2.303(3) 1_655
Tb1 O1 2.450(3) .
Tb1 O16 2.458(3) .
Tb1 O17 2.479(3) .
Tb1 O2 2.505(3) .
Tb1 C1 2.830(4) .
Tb1 C26 2.839(4) .
Tb2 O3 2.264(4) 4_475
Tb2 O14 2.295(4) .
Tb2 O10 2.318(6) 2_646
Tb2 O7 2.372(4) .
Tb2 O21 2.388(4) .
Tb2 O22 2.407(4) .
Tb2 O20 2.448(4) .
Tb2 O19' 2.545(11) .
Tb2 O19" 2.625(14) .
Tb2 O19 2.68(3) .
C1 O2 1.247(6) .
C1 O1 1.263(7) .
C1 C2 1.509(6) .
C2 C3 1.376(8) .
C2 C7 1.388(8) .
C3 C4 1.395(7) .
C4 O5 1.361(8) .
C4 C5 1.395(8) .
C5 C6 1.380(8) .
C5 C8 1.503(6) .
C6 C7 1.394(6) .
C7 O6 1.365(7) .
C8 O3 1.232(7) .
C8 O4 1.252(7) .
C9 O6 1.302(10) .
C10 O5 1.340(9) .
C11 O7 1.241(6) .
C11 O8 1.247(6) .
C11 C12 1.507(7) .
C12 C13 1.396(8) .
C12 C17 1.405(7) .
C13 C14 1.382(8) .
C14 O11 1.371(8) .
C14 C15 1.412(7) .
C15 C16 1.373(10) .
C15 C18 1.500(8) .
C16 C17 1.389(9) .
C17 O12 1.381(8) .
C18 O9 1.207(7) .
C18 O10 1.251(10) .
C19 O11 1.418(7) .
C20 O12 1.436(11) .
C21 O15 1.422(6) .
C22 O15 1.372(6) .
C22 C24 1.395(7) 3_577
C22 C23 1.408(6) .
C23 C24 1.400(7) .
C23 C25 1.511(6) .
C24 C22 1.395(7) 3_577
C25 O14 1.233(6) .
C25 O13 1.262(5) .
C26 O17 1.258(5) .
C26 O16 1.268(5) .
C26 C27 1.506(5) .
C27 C28 1.389(6) .
C27 C29 1.407(6) .
C28 C29 1.396(6) 3_676
C29 O18 1.363(6) .
C29 C28 1.396(6) 3_676
C30 O18 1.430(7) .
C31 N1 1.461(17) .
C32 N1 1.424(17) .
C33 O23 1.11(2) .
C33 N1 1.289(16) .
O3 Tb2 2.264(4) 4_676
O4 Tb1 2.300(3) 4_576
O9 Tb1 2.242(4) 2_656
O10 Tb2 2.318(6) 2_656
O13 Tb1 2.303(3) 1_455
O19' O19 0.66(3) .
O19' O19" 1.06(2) .
