#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/30/7203033.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_7203033
loop_
_publ_author_name
'Deacon, Glen B.'
'Hein, Stefanie'
'Junk, Peter C.'
'Jüstel, Thomas'
'Lee, Winnie'
'Turner, David R.'
_publ_section_title
;
 Structural variations in rare earth benzoate complexes : Part II.
 Yttrium and terbium
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              1110
_journal_paper_doi               10.1039/b708589c
_journal_volume                  9
_journal_year                    2007
_chemical_formula_moiety         'C24 H19 N4 O13 Tb1'
_chemical_formula_sum            'C24 H19 N4 O13 Tb'
_chemical_formula_weight         730.35
_chemical_name_common            '[Tb(3-NO2BA)3(DMF)]n'
_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                91.090(1)
_cell_angle_beta                 106.536(1)
_cell_angle_gamma                104.418(2)
_cell_formula_units_Z            2
_cell_length_a                   8.2095(2)
_cell_length_b                   13.1346(3)
_cell_length_c                   13.1596(4)
_cell_measurement_temperature    123(2)
_cell_volume                     1311.26(6)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Hooft, 1999)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'X-Seed (Barbour, 1999)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Nonius KappaCCD'
_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  0.1031
_diffrn_reflns_av_sigmaI/netI    0.1041
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18444
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    2.774
_exptl_absorpt_correction_T_max  0.6386
_exptl_absorpt_correction_T_min  0.5335
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SORTAV
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.850
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         2.611
_refine_diff_density_min         -1.989
_refine_diff_density_rms         0.222
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         6036
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0766
_refine_ls_R_factor_gt           0.0507
_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)+(0.0480P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1006
_refine_ls_wR_factor_ref         0.1109
_reflns_number_gt                4729
_reflns_number_total             6036
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b708589c.txt
_cod_data_source_block           7b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Empirical' changed to 'empirical'
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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C24 H19 N4 O13 Tb1'
_cod_database_code               7203033
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.74903(3) -0.00158(2) 0.54138(2) 0.01181(10) Uani 1 1 d . . .
O1 O 0.9535(5) 0.1653(3) 0.5556(3) 0.0175(9) Uani 1 1 d . . .
N1 N 1.2308(6) 0.5622(4) 0.5829(4) 0.0246(12) Uani 1 1 d . . .
C1 C 1.0353(7) 0.1753(4) 0.4873(5) 0.0137(12) Uani 1 1 d . . .
O2 O 1.0426(5) 0.0959(3) 0.4335(3) 0.0157(9) Uani 1 1 d . . .
N2 N 1.1050(6) 0.3822(4) 0.8459(4) 0.0192(11) Uani 1 1 d . . .
C2 C 1.1246(7) 0.2831(4) 0.4683(5) 0.0136(12) Uani 1 1 d . . .
O3 O 1.1787(6) 0.5471(3) 0.6613(4) 0.0332(11) Uani 1 1 d . . .
N3 N 0.0754(7) -0.2451(4) 0.8887(4) 0.0235(12) Uani 1 1 d . . .
C3 C 1.1360(7) 0.3701(4) 0.5334(5) 0.0142(12) Uani 1 1 d . . .
H3 H 1.0884 0.3616 0.5916 0.017 Uiso 1 1 calc R . .
O4 O 1.2890(6) 0.6501(3) 0.5566(4) 0.0342(12) Uani 1 1 d . . .
N4 N 1.1876(6) 0.0882(4) 0.8539(4) 0.0211(11) Uani 1 1 d . . .
C4 C 1.2177(7) 0.4697(4) 0.5126(5) 0.0180(13) Uani 1 1 d . . .
O5 O 0.5950(5) 0.1071(3) 0.5822(3) 0.0135(8) Uani 1 1 d . . .
C5 C 1.2892(8) 0.4860(5) 0.4301(5) 0.0220(14) Uani 1 1 d . . .
H5 H 1.3447 0.5553 0.4179 0.026 Uiso 1 1 calc R . .
O6 O 0.3559(5) 0.1500(3) 0.5931(3) 0.0154(9) Uani 1 1 d . . .
C6 C 1.2786(8) 0.3986(5) 0.3646(5) 0.0235(14) Uani 1 1 d . . .
H6 H 1.3261 0.4078 0.3065 0.028 Uiso 1 1 calc R . .
O7 O 1.1728(5) 0.3308(3) 0.8012(4) 0.0296(11) Uani 1 1 d . . .
C7 C 1.1985(7) 0.2978(4) 0.3844(5) 0.0168(13) Uani 1 1 d . . .
H7 H 1.1939 0.2382 0.3406 0.020 Uiso 1 1 calc R . .
O8 O 1.1874(5) 0.4490(3) 0.9219(4) 0.0285(11) Uani 1 1 d . . .
C8 C 0.5207(7) 0.1663(4) 0.6205(4) 0.0129(12) Uani 1 1 d . . .
O9 O 0.6006(5) -0.1128(3) 0.6416(3) 0.0161(9) Uani 1 1 d . . .
C9 C 0.6315(6) 0.2572(4) 0.7005(4) 0.0110(11) Uani 1 1 d . . .
O10 O 0.3479(4) -0.0677(3) 0.6203(3) 0.0120(8) Uani 1 1 d . . .
C10 C 0.8147(7) 0.2787(4) 0.7330(5) 0.0157(12) Uani 1 1 d . . .
H10 H 0.8724 0.2363 0.7043 0.019 Uiso 1 1 calc R . .
O11 O 0.0217(6) -0.3144(4) 0.9411(4) 0.0367(12) Uani 1 1 d . . .
C11 C 0.9101(7) 0.3630(4) 0.8081(4) 0.0143(12) Uani 1 1 d . . .
O12 O 0.0028(6) -0.1746(4) 0.8594(4) 0.0309(11) Uani 1 1 d . . .
C12 C 0.8332(7) 0.4274(4) 0.8518(5) 0.0181(13) Uani 1 1 d . . .
H12 H 0.9026 0.4855 0.9027 0.022 Uiso 1 1 calc R . .
O13 O 0.9248(5) 0.0455(3) 0.7239(3) 0.0184(9) Uani 1 1 d . . .
C13 C 0.6497(7) 0.4043(4) 0.8183(5) 0.0187(13) Uani 1 1 d . . .
H13 H 0.5927 0.4469 0.8474 0.022 Uiso 1 1 calc R . .
C14 C 0.5507(7) 0.3212(4) 0.7442(5) 0.0151(12) Uani 1 1 d . . .
H14 H 0.4259 0.3068 0.7222 0.018 Uiso 1 1 calc R . .
C15 C 0.4607(7) -0.1154(4) 0.6648(4) 0.0118(11) Uani 1 1 d . . .
C16 C 0.4247(7) -0.1802(4) 0.7522(4) 0.0125(11) Uani 1 1 d . . .
C17 C 0.2715(7) -0.1837(4) 0.7804(4) 0.0142(12) Uani 1 1 d . . .
H17 H 0.1938 -0.1436 0.7461 0.017 Uiso 1 1 calc R . .
C18 C 0.2347(7) -0.2453(4) 0.8577(5) 0.0168(12) Uani 1 1 d . . .
C19 C 0.3399(8) -0.3080(4) 0.9089(5) 0.0214(13) Uani 1 1 d . . .
H19 H 0.3085 -0.3521 0.9604 0.026 Uiso 1 1 calc R . .
C20 C 0.4946(8) -0.3036(4) 0.8815(5) 0.0197(13) Uani 1 1 d . . .
H20 H 0.5705 -0.3450 0.9153 0.024 Uiso 1 1 calc R . .
C21 C 0.5373(7) -0.2389(4) 0.8052(4) 0.0150(12) Uani 1 1 d . . .
H21 H 0.6443 -0.2347 0.7891 0.018 Uiso 1 1 calc R . .
C22 C 1.0866(8) 0.0577(4) 0.7551(5) 0.0195(13) Uani 1 1 d . . .
H22 H 1.1419 0.0439 0.7040 0.023 Uiso 1 1 calc R . .
C23 C 1.1147(9) 0.1138(6) 0.9370(5) 0.0376(18) Uani 1 1 d . . .
H23A H 1.1550 0.1901 0.9575 0.056 Uiso 1 1 calc R . .
H23B H 1.1544 0.0763 0.9991 0.056 Uiso 1 1 calc R . .
H23C H 0.9857 0.0921 0.9102 0.056 Uiso 1 1 calc R . .
C24 C 1.3768(7) 0.0984(5) 0.8832(6) 0.0330(17) Uani 1 1 d . . .
H24A H 1.4062 0.0723 0.8222 0.049 Uiso 1 1 calc R . .
H24B H 1.4098 0.0568 0.9431 0.049 Uiso 1 1 calc R . .
H24C H 1.4415 0.1728 0.9040 0.049 Uiso 1 1 calc 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'
N N 0.0061 0.0033 '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
O5 Tb1 O2 158.68(14) . 2_756 ?
O5 Tb1 O9 81.59(13) . . ?
O2 Tb1 O9 90.84(13) 2_756 . ?
O5 Tb1 O10 77.68(13) . 2_656 ?
O2 Tb1 O10 120.93(13) 2_756 2_656 ?
O9 Tb1 O10 132.67(12) . 2_656 ?
O5 Tb1 O1 79.52(13) . . ?
O2 Tb1 O1 94.79(13) 2_756 . ?
O9 Tb1 O1 141.54(14) . . ?
O10 Tb1 O1 74.72(13) 2_656 . ?
O5 Tb1 O13 83.64(13) . . ?
O2 Tb1 O13 75.10(13) 2_756 . ?
O9 Tb1 O13 73.84(13) . . ?
O10 Tb1 O13 143.34(12) 2_656 . ?
O1 Tb1 O13 71.01(13) . . ?
O5 Tb1 O6 128.03(12) . 2_656 ?
O2 Tb1 O6 70.79(12) 2_756 2_656 ?
O9 Tb1 O6 86.26(13) . 2_656 ?
O10 Tb1 O6 74.43(12) 2_656 2_656 ?
O1 Tb1 O6 131.40(13) . 2_656 ?
O13 Tb1 O6 140.00(12) . 2_656 ?
O5 Tb1 O5 79.25(12) . 2_656 ?
O2 Tb1 O5 116.64(12) 2_756 2_656 ?
O9 Tb1 O5 68.94(12) . 2_656 ?
O10 Tb1 O5 65.66(11) 2_656 2_656 ?
O1 Tb1 O5 138.08(12) . 2_656 ?
O13 Tb1 O5 140.79(12) . 2_656 ?
O6 Tb1 O5 49.42(11) 2_656 2_656 ?
O5 Tb1 C8 104.29(14) . 2_656 ?
O2 Tb1 C8 93.05(14) 2_756 2_656 ?
O9 Tb1 C8 76.08(14) . 2_656 ?
O10 Tb1 C8 68.73(13) 2_656 2_656 ?
O1 Tb1 C8 141.22(14) . 2_656 ?
O13 Tb1 C8 147.34(14) . 2_656 ?
O6 Tb1 C8 24.20(13) 2_656 2_656 ?
O5 Tb1 C8 25.24(13) 2_656 2_656 ?
O5 Tb1 Tb1 44.59(9) . 2_656 ?
O2 Tb1 Tb1 149.28(9) 2_756 2_656 ?
O9 Tb1 Tb1 70.04(9) . 2_656 ?
O10 Tb1 Tb1 65.29(8) 2_656 2_656 ?
O1 Tb1 Tb1 115.24(9) . 2_656 ?
O13 Tb1 Tb1 119.31(9) . 2_656 ?
O6 Tb1 Tb1 83.79(8) 2_656 2_656 ?
O5 Tb1 Tb1 34.66(7) 2_656 2_656 ?
C8 Tb1 Tb1 59.77(10) 2_656 2_656 ?
O5 Tb1 Tb1 142.30(9) . 2_756 ?
O2 Tb1 Tb1 40.16(10) 2_756 2_756 ?
O9 Tb1 Tb1 130.98(9) . 2_756 ?
O10 Tb1 Tb1 87.73(9) 2_656 2_756 ?
O1 Tb1 Tb1 63.06(9) . 2_756 ?
O13 Tb1 Tb1 88.19(9) . 2_756 ?
O6 Tb1 Tb1 79.10(9) 2_656 2_756 ?
O5 Tb1 Tb1 125.82(8) 2_656 2_756 ?
C8 Tb1 Tb1 102.30(11) 2_656 2_756 ?
Tb1 Tb1 Tb1 151.186(15) 2_656 2_756 ?
C1 O1 Tb1 114.9(3) . . ?
O3 N1 O4 124.3(5) . . ?
O3 N1 C4 118.5(5) . . ?
O4 N1 C4 117.2(6) . . ?
O1 C1 O2 121.9(5) . . ?
O1 C1 C2 118.9(5) . . ?
O2 C1 C2 119.1(5) . . ?
C1 O2 Tb1 131.7(3) . 2_756 ?
O7 N2 O8 124.0(5) . . ?
O7 N2 C11 118.5(5) . . ?
O8 N2 C11 117.5(5) . . ?
C3 C2 C7 119.2(5) . . ?
C3 C2 C1 120.4(5) . . ?
C7 C2 C1 120.3(5) . . ?
O11 N3 O12 123.4(5) . . ?
O11 N3 C18 119.0(5) . . ?
O12 N3 C18 117.6(5) . . ?
C2 C3 C4 119.0(5) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C22 N4 C23 121.2(5) . . ?
C22 N4 C24 120.9(6) . . ?
C23 N4 C24 117.9(5) . . ?
C5 C4 C3 122.7(5) . . ?
C5 C4 N1 118.5(5) . . ?
C3 C4 N1 118.8(5) . . ?
C8 O5 Tb1 170.9(4) . . ?
C8 O5 Tb1 84.9(3) . 2_656 ?
Tb1 O5 Tb1 100.75(12) . 2_656 ?
C4 C5 C6 118.4(5) . . ?
C4 C5 H5 120.8 . . ?
C6 C5 H5 120.8 . . ?
C8 O6 Tb1 103.9(3) . 2_656 ?
C7 C6 C5 119.9(6) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C7 C2 120.7(5) . . ?
C6 C7 H7 119.7 . . ?
C2 C7 H7 119.7 . . ?
O6 C8 O5 121.8(5) . . ?
O6 C8 C9 118.8(5) . . ?
O5 C8 C9 119.4(5) . . ?
O6 C8 Tb1 51.9(3) . 2_656 ?
O5 C8 Tb1 69.9(3) . 2_656 ?
C9 C8 Tb1 170.4(4) . 2_656 ?
C15 O9 Tb1 131.9(3) . . ?
C10 C9 C14 119.5(5) . . ?
C10 C9 C8 120.8(5) . . ?
C14 C9 C8 119.7(5) . . ?
C15 O10 Tb1 139.2(4) . 2_656 ?
C11 C10 C9 118.3(5) . . ?
C11 C10 H10 120.9 . . ?
C9 C10 H10 120.9 . . ?
C12 C11 C10 123.2(5) . . ?
C12 C11 N2 118.9(5) . . ?
C10 C11 N2 117.8(5) . . ?
C11 C12 C13 117.5(5) . . ?
C11 C12 H12 121.2 . . ?
C13 C12 H12 121.2 . . ?
C22 O13 Tb1 123.6(4) . . ?
C14 C13 C12 120.9(5) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
C13 C14 C9 120.6(5) . . ?
C13 C14 H14 119.7 . . ?
C9 C14 H14 119.7 . . ?
O10 C15 O9 125.3(5) . . ?
O10 C15 C16 116.9(5) . . ?
O9 C15 C16 117.8(5) . . ?
C21 C16 C17 118.8(5) . . ?
C21 C16 C15 122.1(5) . . ?
C17 C16 C15 119.0(5) . . ?
C18 C17 C16 119.5(5) . . ?
C18 C17 H17 120.3 . . ?
C16 C17 H17 120.3 . . ?
C17 C18 C19 123.2(5) . . ?
C17 C18 N3 118.6(5) . . ?
C19 C18 N3 118.2(5) . . ?
C18 C19 C20 117.3(6) . . ?
C18 C19 H19 121.4 . . ?
C20 C19 H19 121.4 . . ?
C21 C20 C19 120.4(5) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C20 C21 C16 120.7(5) . . ?
C20 C21 H21 119.7 . . ?
C16 C21 H21 119.7 . . ?
O13 C22 N4 125.0(6) . . ?
O13 C22 H22 117.5 . . ?
N4 C22 H22 117.5 . . ?
N4 C23 H23A 109.5 . . ?
N4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N4 C24 H24A 109.5 . . ?
N4 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N4 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
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 O5 2.276(4) . ?
Tb1 O2 2.307(3) 2_756 ?
Tb1 O9 2.336(4) . ?
Tb1 O10 2.337(4) 2_656 ?
Tb1 O1 2.373(4) . ?
Tb1 O13 2.400(4) . ?
Tb1 O6 2.416(4) 2_656 ?
Tb1 O5 2.809(3) 2_656 ?
Tb1 C8 2.979(5) 2_656 ?
Tb1 Tb1 3.9317(5) 2_656 ?
Tb1 Tb1 4.5429(5) 2_756 ?
O1 C1 1.256(7) . ?
N1 O3 1.226(7) . ?
N1 O4 1.231(7) . ?
N1 C4 1.475(8) . ?
C1 O2 1.273(6) . ?
C1 C2 1.485(7) . ?
O2 Tb1 2.307(3) 2_756 ?
N2 O7 1.212(6) . ?
N2 O8 1.230(6) . ?
N2 C11 1.487(7) . ?
C2 C3 1.382(8) . ?
C2 C7 1.398(8) . ?
N3 O11 1.223(6) . ?
N3 O12 1.233(6) . ?
N3 C18 1.478(7) . ?
C3 C4 1.385(8) . ?
C3 H3 0.9500 . ?
N4 C22 1.319(7) . ?
N4 C23 1.458(8) . ?
N4 C24 1.461(7) . ?
C4 C5 1.370(9) . ?
O5 C8 1.275(6) . ?
O5 Tb1 2.809(3) 2_656 ?
C5 C6 1.393(9) . ?
C5 H5 0.9500 . ?
O6 C8 1.258(6) . ?
O6 Tb1 2.416(4) 2_656 ?
C6 C7 1.389(8) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.493(7) . ?
C8 Tb1 2.979(5) 2_656 ?
O9 C15 1.263(6) . ?
C9 C10 1.394(7) . ?
C9 C14 1.397(7) . ?
O10 C15 1.259(6) . ?
O10 Tb1 2.337(4) 2_656 ?
C10 C11 1.379(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.378(8) . ?
C12 C13 1.395(8) . ?
C12 H12 0.9500 . ?
O13 C22 1.241(7) . ?
C13 C14 1.368(8) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.497(8) . ?
C16 C21 1.394(7) . ?
C16 C17 1.400(7) . ?
C17 C18 1.364(8) . ?
C17 H17 0.9500 . ?
C18 C19 1.386(8) . ?
C19 C20 1.404(8) . ?
C19 H19 0.9500 . ?
C20 C21 1.391(8) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C22 H22 O6 0.95 2.73 3.515(7) 139.9 1_655
C22 H22 O10 0.95 2.91 3.779(7) 153.0 1_655
