#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:32:52 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185261 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/54/7225457.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_7225457
loop_
_publ_author_name
'Dong, Ruo-Ting'
'Chen, Xin-Li'
'Cui, Xiao'
'Chen, Su-Su'
'Shen, Mo-Yuan'
'Li, Chu-Wen'
'Li, Qian-Hong'
'Hu, Ming-Yuan'
'Huang, Lan-Fen'
'Deng, Hong'
_publ_section_title
;
 Copper(i)--lanthanide(iii) heterometallic metal--organic frameworks
 constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and
 properties
;
_journal_issue                   29
_journal_name_full               CrystEngComm
_journal_page_first              5547
_journal_paper_doi               10.1039/C6CE00637J
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C24 H24 Cl3 Cu3 N3 O8 Tb, O'
_chemical_formula_sum            'C24 H24 Cl3 Cu3 N3 O9 Tb'
_chemical_formula_weight         954.33
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2016-05-29
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2016-06-02 deposited with the CCDC.
2016-06-06 downloaded from the CCDC.
;
_cell_angle_alpha                97.029(2)
_cell_angle_beta                 98.260(2)
_cell_angle_gamma                107.433(2)
_cell_formula_units_Z            2
_cell_length_a                   9.7468(13)
_cell_length_b                   13.1256(17)
_cell_length_c                   13.1381(17)
_cell_measurement_reflns_used    5752
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.396
_cell_measurement_theta_min      2.083
_cell_volume                     1562.4(4)
_computing_cell_refinement       'Apex2 (Bruker, 2005)'
_computing_data_collection       'Apex2 (Bruker, 2005)'
_computing_data_reduction        'Apex2 (Bruker, 2005)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXTL 6.12 (Bruker, 2000-2003)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0232
_diffrn_reflns_av_unetI/netI     0.0445
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8231
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.396
_diffrn_reflns_theta_min         2.083
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.559
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Apex2 (Bruker, 2005)'
_exptl_crystal_density_diffrn    2.024
_exptl_crystal_description       green
_exptl_crystal_F_000             924
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_transmission_factor_max   0.402
_exptl_transmission_factor_min   0.348
_refine_diff_density_max         1.697
_refine_diff_density_min         -2.714
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         5650
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0606P)²+5.9457P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1154
_refine_ls_wR_factor_ref         0.1200
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4999
_reflns_number_total             5752
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6ce00637j2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7225454--7225470.cif.'
_cod_database_code               7225457
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Others
 Sof(O3WB)=1-FVAR(1)
 Sof(O3WA)=FVAR(1)
3.a Free rotating group:
 O3WB(O3WA)
3.b Rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB)
3.c Aromatic/amide H refined with riding coordinates:
 C10(H10), C11(H11), C2(H2), C3(H3), C16(H16), C18(H18), C19(H19), C24(H24),
 C23(H23), C6(H6), C8(H8), C15(H15), C13(H13), C14(H14), C5(H5), C7(H7),
 C21(H21), C22(H22)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.75926(3) 1.00835(2) 0.51847(2) 0.02640(12) Uani 1 1 d . . A 1
Cu2 Cu 0.06340(18) 0.7113(2) 0.01435(18) 0.1433(9) Uani 1 1 d . . A 1
Cu1 Cu 0.16959(14) 0.70440(10) -0.21676(9) 0.0737(4) Uani 1 1 d . . A 1
Cu3 Cu -0.11183(12) 0.47824(12) -0.11485(11) 0.0774(4) Uani 1 1 d . . A 1
Cl1 Cl 0.1256(2) 0.56111(18) -0.08831(16) 0.0535(5) Uani 1 1 d . . A 1
Cl3 Cl 0.1258(3) 0.7102(2) 0.1801(2) 0.0823(8) Uani 1 1 d . . A 1
Cl2 Cl 0.0059(4) 0.8132(3) -0.0883(2) 0.0892(8) Uani 1 1 d . . A 1
O1W O 0.6863(5) 1.0631(4) 0.6818(4) 0.0407(11) Uani 1 1 d . . A 1
H1WA H 0.7503 1.1231 0.7160 0.061 Uiso 1 1 d GR . A 1
H1WB H 0.6801 1.0137 0.7204 0.061 Uiso 1 1 d GR . A 1
O1 O 0.9518(5) 1.1689(4) 0.5853(4) 0.0401(11) Uani 1 1 d . . A 1
O2W O 0.8989(5) 0.9598(4) 0.6631(4) 0.0406(11) Uani 1 1 d . . A 1
H2WA H 0.9149 1.0068 0.7224 0.061 Uiso 1 1 d GR . A 1
H2WB H 0.9863 0.9591 0.6504 0.061 Uiso 1 1 d GR . A 1
O3 O 0.6037(5) 0.9403(4) 0.3411(3) 0.0355(10) Uani 1 1 d . . A 1
O4 O 0.8235(5) 1.0561(4) 0.3513(3) 0.0355(10) Uani 1 1 d . . A 1
O5 O -0.5830(5) 0.1472(4) -0.5390(4) 0.0416(11) Uani 1 1 d . . A 1
O6 O -0.3617(6) 0.1317(4) -0.5097(4) 0.0487(13) Uani 1 1 d . . A 1
N3 N -0.0023(7) 0.6361(5) -0.3226(5) 0.0512(17) Uani 1 1 d . . A 1
N1 N 1.6896(7) 1.4829(6) 0.8482(6) 0.0566(18) Uani 1 1 d . . A 1
N2 N 0.3671(7) 0.7881(5) -0.1514(5) 0.0521(17) Uani 1 1 d . . A 1
C9 C 0.7047(7) 0.9903(5) 0.2969(5) 0.0326(14) Uani 1 1 d . . A 1
C17 C -0.4454(7) 0.1854(5) -0.5168(5) 0.0278(13) Uani 1 1 d . . A 1
C10 C 0.6877(8) 0.9700(6) 0.1825(5) 0.0390(16) Uani 1 1 d . . A 1
H10 H 0.7637 1.0081 0.1524 0.047 Uiso 1 1 calc R . A 1
C11 C 0.5701(8) 0.9006(6) 0.1208(5) 0.0394(16) Uani 1 1 d . . A 1
H11 H 0.4958 0.8642 0.1531 0.047 Uiso 1 1 calc R . A 1
C12 C 0.5435(8) 0.8742(6) 0.0063(5) 0.0401(16) Uani 1 1 d . . A 1
O2 O 1.1369(5) 1.1154(4) 0.5493(4) 0.0406(11) Uani 1 1 d . . A 1
C2 C 1.1880(7) 1.2772(5) 0.6708(6) 0.0397(16) Uani 1 1 d . . A 1
H2 H 1.1483 1.3255 0.7035 0.048 Uiso 1 1 calc R . A 1
C3 C 1.3310(7) 1.2980(5) 0.6920(5) 0.0379(16) Uani 1 1 d . . A 1
H3 H 1.3679 1.2479 0.6592 0.045 Uiso 1 1 calc R . A 1
C4 C 1.4377(8) 1.3930(6) 0.7629(6) 0.0450(18) Uani 1 1 d . . A 1
C16 C 0.4038(8) 0.8154(6) -0.0466(6) 0.0465(18) Uani 1 1 d . . A 1
H16 H 0.3309 0.7935 -0.0078 0.056 Uiso 1 1 calc R . A 1
C18 C -0.3854(7) 0.3056(5) -0.4973(6) 0.0374(15) Uani 1 1 d . . A 1
H18 H -0.4491 0.3437 -0.5156 0.045 Uiso 1 1 calc R . A 1
C19 C -0.2474(8) 0.3622(5) -0.4558(6) 0.0404(16) Uani 1 1 d . . A 1
H19 H -0.1814 0.3243 -0.4444 0.049 Uiso 1 1 calc R . A 1
C20 C -0.1917(8) 0.4809(6) -0.4264(6) 0.0416(16) Uani 1 1 d . . A 1
C24 C -0.0582(8) 0.5295(6) -0.3580(6) 0.0458(18) Uani 1 1 d . . A 1
H24 H -0.0051 0.4854 -0.3357 0.055 Uiso 1 1 calc R . A 1
C23 C -0.0780(10) 0.6997(6) -0.3556(7) 0.057(2) Uani 1 1 d . . A 1
H23 H -0.0392 0.7741 -0.3319 0.069 Uiso 1 1 calc R . A 1
C6 C 1.5081(13) 1.5621(10) 0.8785(12) 0.124(6) Uani 1 1 d . . A 1
H6 H 1.4846 1.6197 0.9114 0.149 Uiso 1 1 calc R . A 1
C8 C 1.5841(7) 1.3989(6) 0.7844(6) 0.0449(17) Uani 1 1 d . . A 1
H8 H 1.6107 1.3420 0.7532 0.054 Uiso 1 1 calc R . A 1
C15 C 0.4726(11) 0.8166(8) -0.2054(6) 0.066(3) Uani 1 1 d . . A 1
H15 H 0.4492 0.7962 -0.2778 0.079 Uiso 1 1 calc R . A 1
C13 C 0.6528(10) 0.9028(8) -0.0520(7) 0.067(3) Uani 1 1 d . . A 1
H13 H 0.7493 0.9401 -0.0194 0.080 Uiso 1 1 calc R . A 1
C14 C 0.6150(11) 0.8746(9) -0.1599(7) 0.079(3) Uani 1 1 d . . A 1
H14 H 0.6855 0.8949 -0.2010 0.095 Uiso 1 1 calc R . A 1
C5 C 1.4007(11) 1.4771(8) 0.8135(9) 0.084(4) Uani 1 1 d . . A 1
H5 H 1.3038 1.4760 0.8035 0.101 Uiso 1 1 calc R . A 1
C7 C 1.6501(11) 1.5620(8) 0.8949(10) 0.089(4) Uani 1 1 d . . A 1
H7 H 1.7212 1.6196 0.9403 0.107 Uiso 1 1 calc R . A 1
C21 C -0.2672(9) 0.5484(7) -0.4601(7) 0.057(2) Uani 1 1 d . . A 1
H21 H -0.3555 0.5194 -0.5075 0.068 Uiso 1 1 calc R . A 1
C22 C -0.2116(10) 0.6590(6) -0.4234(7) 0.061(2) Uani 1 1 d . . A 1
H22 H -0.2629 0.7047 -0.4440 0.074 Uiso 1 1 calc R . A 1
C1 C 1.0872(7) 1.1798(5) 0.5965(5) 0.0304(13) Uani 1 1 d . . A 1
O3WB O 0.975(3) 0.037(4) 0.8682(16) 0.130(13) Uani 0.66(6) 1 d . P B 2
O3WA O 1.023(6) 0.112(4) 0.855(3) 0.16(2) Uani 0.34(6) 1 d G P B 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
O1W Tb1 O3 128.12(15) . .
O1W Tb1 O4 147.41(17) . .
O1 Tb1 O1W 80.00(16) . .
O1 Tb1 O2W 77.06(17) . .
O1 Tb1 O3 130.89(17) . .
O1 Tb1 O4 81.70(16) . .
O2W Tb1 O1W 70.44(16) . .
O2W Tb1 O3 144.72(16) . .
O2W Tb1 O4 130.55(16) . .
O4 Tb1 O3 52.64(14) . .
O5 Tb1 O1W 76.36(17) 2_565 .
O5 Tb1 O1 151.94(18) 2_565 .
O5 Tb1 O2W 80.92(17) 2_565 .
O5 Tb1 O3 76.49(17) 2_565 .
O5 Tb1 O4 126.19(16) 2_565 .
O6 Tb1 O1W 72.05(18) 1_666 .
O6 Tb1 O1 80.58(18) 1_666 .
O6 Tb1 O2W 138.93(18) 1_666 .
O6 Tb1 O3 74.12(17) 1_666 .
O6 Tb1 O4 78.52(18) 1_666 .
O6 Tb1 O5 105.87(19) 1_666 2_565
O6 Tb1 O2 148.67(19) 1_666 2_776
O2 Tb1 O1W 138.81(18) 2_776 .
O2 Tb1 O1 106.32(17) 2_776 .
O2 Tb1 O2W 71.56(17) 2_776 .
O2 Tb1 O3 78.89(16) 2_776 .
O2 Tb1 O4 72.52(17) 2_776 .
O2 Tb1 O5 82.57(18) 2_776 2_565
Cl3 Cu2 Cl1 108.34(13) . .
Cl2 Cu2 Cl1 109.73(14) . .
Cl2 Cu2 Cl3 140.58(18) . .
N3 Cu1 Cl1 99.2(2) . .
N3 Cu1 N2 160.5(3) . .
N2 Cu1 Cl1 97.4(2) . .
Cl1 Cu3 Cl3 100.96(10) . 2_565
N1 Cu3 Cl1 149.1(2) 1_344 .
N1 Cu3 Cl3 105.6(2) 1_344 2_565
Cu2 Cl1 Cu1 80.34(8) . .
Cu3 Cl1 Cu2 83.37(9) . .
Cu3 Cl1 Cu1 106.81(9) . .
Cu2 Cl3 Cu3 82.62(11) . 2_565
Tb1 O1W H1WA 110.1 . .
Tb1 O1W H1WB 110.3 . .
H1WA O1W H1WB 108.7 . .
C1 O1 Tb1 125.9(4) . .
Tb1 O2W H2WA 111.5 . .
Tb1 O2W H2WB 111.6 . .
H2WA O2W H2WB 107.2 . .
C9 O3 Tb1 92.9(4) . .
C9 O4 Tb1 93.7(4) . .
C17 O5 Tb1 136.0(4) . 2_565
C17 O6 Tb1 168.2(5) . 1_444
C24 N3 Cu1 124.7(5) . .
C24 N3 C23 118.3(7) . .
C23 N3 Cu1 116.8(5) . .
C8 N1 Cu3 120.8(6) . 1_766
C7 N1 Cu3 120.8(6) . 1_766
C7 N1 C8 117.9(7) . .
C16 N2 Cu1 120.1(6) . .
C15 N2 Cu1 122.2(5) . .
C15 N2 C16 117.6(7) . .
O3 C9 O4 120.3(6) . .
O3 C9 C10 120.5(6) . .
O4 C9 C10 119.2(6) . .
O5 C17 C18 114.8(5) . .
O6 C17 O5 125.4(6) . .
O6 C17 C18 119.8(6) . .
C9 C10 H10 118.5 . .
C11 C10 C9 123.0(7) . .
C11 C10 H10 118.5 . .
C10 C11 H11 116.5 . .
C10 C11 C12 127.0(7) . .
C12 C11 H11 116.5 . .
C16 C12 C11 118.7(7) . .
C16 C12 C13 117.8(7) . .
C13 C12 C11 123.5(7) . .
C1 O2 Tb1 172.9(5) . 2_776
C3 C2 H2 118.6 . .
C3 C2 C1 122.9(6) . .
C1 C2 H2 118.6 . .
C2 C3 H3 117.0 . .
C2 C3 C4 126.1(6) . .
C4 C3 H3 117.0 . .
C8 C4 C3 119.3(7) . .
C5 C4 C3 123.8(7) . .
C5 C4 C8 116.9(7) . .
N2 C16 C12 123.6(7) . .
N2 C16 H16 118.2 . .
C12 C16 H16 118.2 . .
C17 C18 H18 117.8 . .
C19 C18 C17 124.3(6) . .
C19 C18 H18 117.8 . .
C18 C19 H19 117.9 . .
C18 C19 C20 124.2(7) . .
C20 C19 H19 117.9 . .
C24 C20 C19 119.0(7) . .
C21 C20 C19 123.7(7) . .
C21 C20 C24 117.2(7) . .
N3 C24 C20 123.4(7) . .
N3 C24 H24 118.3 . .
C20 C24 H24 118.3 . .
N3 C23 H23 118.7 . .
N3 C23 C22 122.6(7) . .
C22 C23 H23 118.7 . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C7 C6 C5 120.0(10) . .
N1 C8 C4 123.4(7) . .
N1 C8 H8 118.3 . .
C4 C8 H8 118.3 . .
N2 C15 H15 118.5 . .
N2 C15 C14 123.1(8) . .
C14 C15 H15 118.5 . .
C12 C13 H13 120.7 . .
C14 C13 C12 118.6(8) . .
C14 C13 H13 120.7 . .
C15 C14 C13 119.2(8) . .
C15 C14 H14 120.4 . .
C13 C14 H14 120.4 . .
C4 C5 H5 120.3 . .
C6 C5 C4 119.5(9) . .
C6 C5 H5 120.3 . .
N1 C7 C6 122.3(9) . .
N1 C7 H7 118.9 . .
C6 C7 H7 118.9 . .
C20 C21 H21 119.9 . .
C22 C21 C20 120.2(7) . .
C22 C21 H21 119.9 . .
C23 C22 C21 118.4(8) . .
C23 C22 H22 120.8 . .
C21 C22 H22 120.8 . .
O1 C1 C2 116.1(6) . .
O2 C1 O1 123.7(6) . .
O2 C1 C2 120.2(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O1W 2.448(4) .
Tb1 O1 2.331(4) .
Tb1 O2W 2.437(5) .
Tb1 O3 2.489(4) .
Tb1 O4 2.472(5) .
Tb1 O5 2.315(5) 2_565
Tb1 O6 2.305(5) 1_666
Tb1 O2 2.312(4) 2_776
Cu2 Cl1 2.524(4) .
Cu2 Cl3 2.178(4) .
Cu2 Cl2 2.144(4) .
Cu1 Cl1 2.659(2) .
Cu1 N3 1.915(6) .
Cu1 N2 1.917(6) .
Cu3 Cl1 2.197(2) .
Cu3 Cl3 2.474(3) 2_565
Cu3 N1 1.948(7) 1_344
Cl3 Cu3 2.474(3) 2_565
O1W H1WA 0.8654 .
O1W H1WB 0.8643 .
O1 C1 1.269(8) .
O2W H2WA 0.8950 .
O2W H2WB 0.8942 .
O3 C9 1.267(8) .
O4 C9 1.269(8) .
O5 Tb1 2.315(5) 2_565
O5 C17 1.258(8) .
O6 Tb1 2.305(5) 1_444
O6 C17 1.228(8) .
N3 C24 1.335(9) .
N3 C23 1.340(11) .
N1 Cu3 1.948(7) 1_766
N1 C8 1.350(9) .
N1 C7 1.324(12) .
N2 C16 1.347(10) .
N2 C15 1.322(11) .
C9 C10 1.471(9) .
C17 C18 1.485(9) .
C10 H10 0.9300 .
C10 C11 1.315(10) .
C11 H11 0.9300 .
C11 C12 1.468(10) .
C12 C16 1.378(10) .
C12 C13 1.388(11) .
O2 Tb1 2.312(4) 2_776
O2 C1 1.241(8) .
C2 H2 0.9300 .
C2 C3 1.318(9) .
C2 C1 1.489(9) .
C3 H3 0.9300 .
C3 C4 1.472(9) .
C4 C8 1.391(10) .
C4 C5 1.385(11) .
C16 H16 0.9300 .
C18 H18 0.9300 .
C18 C19 1.323(9) .
C19 H19 0.9300 .
C19 C20 1.469(9) .
C20 C24 1.391(10) .
C20 C21 1.384(11) .
C24 H24 0.9300 .
C23 H23 0.9300 .
C23 C22 1.381(12) .
C6 H6 0.9300 .
C6 C5 1.370(13) .
C6 C7 1.370(15) .
C8 H8 0.9300 .
C15 H15 0.9300 .
C15 C14 1.372(13) .
C13 H13 0.9300 .
C13 C14 1.386(12) .
C14 H14 0.9300 .
C5 H5 0.9300 .
C7 H7 0.9300 .
C21 H21 0.9300 .
C21 C22 1.383(11) .
C22 H22 0.9300 .
