#------------------------------------------------------------------------------
#$Date: 2017-09-19 07:09:55 +0300 (Tue, 19 Sep 2017) $
#$Revision: 201017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/42/7044271.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_7044271
loop_
_publ_author_name
'Feng, Xun'
'Guo, Nan'
'Chen, Haipeng'
'Wang, Helin'
'Chen, Xin'
'Yue, Lingyun'
'Ng, Seik Weng'
'Liu, Xinfang'
'Ma, Lufang'
'Wang, Liya'
_publ_section_title
;
 Series anionic host coordination polymers based on azoxybenzene
 carboxylate: structures, luminescence and magnetic properties
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT02974H
_journal_year                    2017
_chemical_formula_moiety         'C16 H14 N2 O13 Tb, H2 O, C10 H9 N2'
_chemical_formula_sum            'C26 H25 N4 O14 Tb'
_chemical_formula_weight         776.41
_chemical_name_systematic
;
 ? 
;
_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
_atom_sites_solution_primary     direct
_audit_creation_date             2017-09-01
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_audit_update_record
;
2017-09-03 deposited with the CCDC.
2017-09-18 downloaded from the CCDC.
;
_cell_angle_alpha                108.622(2)
_cell_angle_beta                 95.609(2)
_cell_angle_gamma                113.432(2)
_cell_formula_units_Z            2
_cell_length_a                   10.9023(3)
_cell_length_b                   11.4881(3)
_cell_length_c                   13.1686(4)
_cell_measurement_reflns_used    4865
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.730
_cell_measurement_theta_min      3.733
_cell_volume                     1385.36(8)
_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    'SIR2004 (Burla et al., 2007)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'SuperNova, Single source'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_unetI/netI     0.0337
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14757
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         3.334
_exptl_absorpt_coefficient_mu    2.634
_exptl_absorpt_correction_T_max  0.59
_exptl_absorpt_correction_T_min  0.43
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.859
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             770
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.296
_refine_diff_density_min         -0.667
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     420
_refine_ls_number_reflns         4865
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0270
_refine_ls_R_factor_gt           0.0253
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0324P)²+1.7943P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0656
_refine_ls_wR_factor_ref         0.0667
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4627
_reflns_number_total             4865
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt02974h2.cif
_cod_data_source_block           tb
_cod_original_cell_volume        1385.36(7)
_cod_database_code               7044271
_shelx_shelxl_version_number     2014/7
_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. Restrained distances
 H1WB-O1W
 0.84 with sigma of 0.02
 O1W-H1WB
 0.83 with sigma of 0.02
 H1WA-O1W
 0.83 with sigma of 0.02
3.a Free rotating group:
 O5W(H5WA,H5WB)
3.b Rotating group:
 O2W(H2WA,H2WB), O3W(H3WA,H3WB), O4W(H4WA,H4WB)
3.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C10(H10), C11(H11), C12(H12), C17(H17), C18(H18),
 C20(H20), C21(H21), C23(H23), C24(H24), C25(H25), C26(H26)
;
_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
Tb1 Tb 0.14292(2) 0.19394(2) 0.49316(2) 0.01652(7) Uani 1 1 d .
O1 O 0.1199(3) 0.2292(2) 0.3278(2) 0.0254(6) Uani 1 1 d .
O1W O 0.3704(3) 0.3058(3) 0.4610(2) 0.0267(6) Uani 1 1 d D
H1WA H 0.442(3) 0.352(5) 0.511(3) 0.054(16) Uiso 1 1 d D
H1WB H 0.371(5) 0.360(4) 0.431(4) 0.051(16) Uiso 1 1 d D
O2 O 0.1345(4) 0.0710(3) 0.1855(2) 0.0430(8) Uani 1 1 d .
O2W O 0.1951(3) 0.4338(2) 0.5555(2) 0.0244(6) Uani 1 1 d .
H2WA H 0.1314 0.4547 0.5906 0.037 Uiso 1 1 d GR
H2WB H 0.1967 0.4648 0.4979 0.037 Uiso 1 1 d GR
O3 O 0.3850(3) 0.4886(3) 0.3670(2) 0.0301(6) Uani 1 1 d .
O3W O 0.0601(3) 0.2451(3) 0.6707(2) 0.0274(6) Uani 1 1 d .
H3WA H 0.0427 0.3176 0.6846 0.041 Uiso 1 1 d GR
H3WB H 0.1237 0.2640 0.7299 0.041 Uiso 1 1 d GR
O4 O 0.2174(3) 0.5494(3) 0.3965(2) 0.0349(7) Uani 1 1 d .
O4W O 0.1535(3) 0.0060(2) 0.3583(2) 0.0260(6) Uani 1 1 d .
H4WA H 0.2277 0.0008 0.3801 0.039 Uiso 1 1 d GR
H4WB H 0.1544 0.0173 0.2967 0.039 Uiso 1 1 d GR
O5 O 0.7019(4) 0.7580(3) 0.2009(2) 0.0472(9) Uani 1 1 d .
O5W O 0.0315(3) 0.4715(3) 0.6890(2) 0.0346(7) Uani 1 1 d .
H5WA H 0.0770 0.5511 0.7409 0.052 Uiso 1 1 d G
H5WB H -0.0488 0.4602 0.6630 0.052 Uiso 1 1 d G
O6 O 0.6716(3) 0.7148(2) 0.3507(2) 0.0241(6) Uani 1 1 d .
O7 O 0.8954(3) 0.9906(2) 0.4318(2) 0.0224(6) Uani 1 1 d .
O8 O 0.9219(3) 1.1984(2) 0.4567(2) 0.0280(6) Uani 1 1 d .
O9 O 0.1887(5) 0.6868(4) 0.1679(4) 0.0893(15) Uani 1 1 d .
N1 N 0.2621(4) 0.6318(3) 0.1928(3) 0.0349(9) Uani 1 1 d .
N2 N 0.3870(3) 0.6866(3) 0.2315(3) 0.0412(10) Uani 1 1 d .
N3 N 0.1880(4) 0.7365(3) 0.8494(3) 0.0364(9) Uani 1 1 d .
N4 N 0.5608(4) 1.4333(3) 1.2192(3) 0.0387(9) Uani 1 1 d .
C1 C 0.1303(4) 0.1820(4) 0.2297(3) 0.0247(8) Uani 1 1 d .
C2 C 0.1372(4) 0.2690(4) 0.1627(3) 0.0263(8) Uani 1 1 d .
C3 C 0.0751(4) 0.2019(4) 0.0485(3) 0.0344(10) Uani 1 1 d .
H3 H 0.0371 0.1063 0.0153 0.041 Uiso 1 1 calc R
C4 C 0.0690(5) 0.2743(5) -0.0154(4) 0.0429(12) Uani 1 1 d .
H4 H 0.0254 0.2277 -0.0908 0.051 Uiso 1 1 calc R
C5 C 0.1280(5) 0.4162(4) 0.0327(4) 0.0401(11) Uani 1 1 d .
H5 H 0.1226 0.4666 -0.0091 0.048 Uiso 1 1 calc R
C6 C 0.1953(4) 0.4822(4) 0.1446(3) 0.0282(9) Uani 1 1 d .
C7 C 0.2015(4) 0.4124(4) 0.2125(3) 0.0238(8) Uani 1 1 d .
C8 C 0.2737(4) 0.4904(3) 0.3356(3) 0.0236(8) Uani 1 1 d .
C9 C 0.4640(4) 0.8331(4) 0.2923(3) 0.0259(8) Uani 1 1 d .
C10 C 0.4076(4) 0.9240(4) 0.3264(3) 0.0290(9) Uani 1 1 d .
H10 H 0.3125 0.8923 0.3050 0.035 Uiso 1 1 calc R
C11 C 0.4928(4) 1.0610(4) 0.3918(3) 0.0275(9) Uani 1 1 d .
H11 H 0.4549 1.1213 0.4155 0.033 Uiso 1 1 calc R
C12 C 0.6347(4) 1.1092(4) 0.4223(3) 0.0244(8) Uani 1 1 d .
H12 H 0.6921 1.2023 0.4646 0.029 Uiso 1 1 calc R
C13 C 0.6916(4) 1.0179(3) 0.3893(3) 0.0198(8) Uani 1 1 d .
C14 C 0.6074(4) 0.8793(3) 0.3244(3) 0.0206(8) Uani 1 1 d .
C15 C 0.6649(4) 0.7769(4) 0.2865(3) 0.0232(8) Uani 1 1 d .
C16 C 0.8450(4) 1.0725(4) 0.4288(3) 0.0200(8) Uani 1 1 d .
C17 C 0.2009(5) 0.8373(4) 0.8167(4) 0.0418(11) Uani 1 1 d .
H17 H 0.1615 0.8139 0.7427 0.050 Uiso 1 1 calc R
C18 C 0.2698(5) 0.9762(4) 0.8864(4) 0.0427(12) Uani 1 1 d .
H18 H 0.2746 1.0429 0.8592 0.051 Uiso 1 1 calc R
C19 C 0.3312(4) 1.0146(4) 0.9965(3) 0.0274(9) Uani 1 1 d .
C20 C 0.3150(5) 0.9091(4) 1.0309(4) 0.0456(12) Uani 1 1 d .
H20 H 0.3516 0.9289 1.1046 0.055 Uiso 1 1 calc R
C21 C 0.2446(5) 0.7745(4) 0.9556(4) 0.0475(13) Uani 1 1 d .
H21 H 0.2360 0.7056 0.9810 0.057 Uiso 1 1 calc R
C22 C 0.4098(4) 1.1614(4) 1.0737(3) 0.0276(9) Uani 1 1 d .
C23 C 0.4321(6) 1.2680(4) 1.0398(4) 0.0502(14) Uani 1 1 d .
H23 H 0.3956 1.2487 0.9662 0.060 Uiso 1 1 calc R
C24 C 0.5076(6) 1.4026(5) 1.1134(4) 0.0560(15) Uani 1 1 d .
H24 H 0.5218 1.4733 1.0889 0.067 Uiso 1 1 calc R
C25 C 0.5399(5) 1.3344(4) 1.2553(4) 0.0419(11) Uani 1 1 d .
H25 H 0.5762 1.3572 1.3298 0.050 Uiso 1 1 calc R
C26 C 0.4654(5) 1.1978(4) 1.1848(3) 0.0394(11) Uani 1 1 d .
H26 H 0.4523 1.1294 1.2120 0.047 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'
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
O1 Tb1 O1W 69.46(9) . .
O1 Tb1 O2W 76.50(9) . .
O1 Tb1 O3W 137.68(9) . .
O1 Tb1 O4W 75.01(9) . .
O1 Tb1 O6 134.00(9) . 2_666
O1 Tb1 O7 142.86(8) . 2_666
O1 Tb1 O7 93.98(8) . 1_445
O1 Tb1 O8 73.36(9) . 1_445
O1 Tb1 C16 82.30(10) . 1_445
O1W Tb1 O3W 130.44(9) . .
O1W Tb1 O7 151.08(9) . 1_445
O1W Tb1 O7 117.21(9) . 2_666
O1W Tb1 C16 151.75(10) . 1_445
O2W Tb1 O1W 75.71(9) . .
O2W Tb1 O3W 74.90(8) . .
O2W Tb1 O7 124.73(8) . 1_445
O2W Tb1 O7 140.15(8) . 2_666
O2W Tb1 O8 73.85(8) . 1_445
O2W Tb1 C16 99.07(9) . 1_445
O3W Tb1 O7 77.82(8) . 1_445
O3W Tb1 C16 72.25(9) . 1_445
O4W Tb1 O1W 78.01(9) . .
O4W Tb1 O2W 146.46(9) . .
O4W Tb1 O3W 138.64(8) . .
O4W Tb1 O7 71.39(9) . 2_666
O4W Tb1 O7 74.77(8) . 1_445
O4W Tb1 O8 113.72(9) . 1_445
O4W Tb1 C16 94.29(9) . 1_445
O6 Tb1 O1W 66.41(9) 2_666 .
O6 Tb1 O2W 80.73(8) 2_666 .
O6 Tb1 O3W 70.13(9) 2_666 .
O6 Tb1 O4W 107.24(9) 2_666 .
O6 Tb1 O7 131.58(8) 2_666 1_445
O6 Tb1 O7 72.41(8) 2_666 2_666
O6 Tb1 O8 136.22(9) 2_666 1_445
O6 Tb1 C16 141.03(10) 2_666 1_445
O7 Tb1 O3W 68.61(8) 2_666 .
O7 Tb1 O7 62.38(9) 2_666 1_445
O7 Tb1 C16 26.19(9) 1_445 1_445
O7 Tb1 C16 84.85(9) 2_666 1_445
O8 Tb1 O1W 136.22(9) 1_445 .
O8 Tb1 O3W 69.15(9) 1_445 .
O8 Tb1 O7 51.63(8) 1_445 1_445
O8 Tb1 O7 106.33(8) 1_445 2_666
O8 Tb1 C16 25.45(9) 1_445 1_445
C1 O1 Tb1 140.0(2) . .
Tb1 O1W H1WA 123(4) . .
Tb1 O1W H1WB 110(4) . .
H1WA O1W H1WB 103(5) . .
Tb1 O2W H2WA 113.8 . .
Tb1 O2W H2WB 113.1 . .
H2WA O2W H2WB 105.1 . .
Tb1 O3W H3WA 111.4 . .
Tb1 O3W H3WB 111.5 . .
H3WA O3W H3WB 107.4 . .
Tb1 O4W H4WA 110.4 . .
Tb1 O4W H4WB 109.7 . .
H4WA O4W H4WB 108.7 . .
H5WA O5W H5WB 109.4 . .
C15 O6 Tb1 124.0(2) . 2_666
Tb1 O7 Tb1 117.62(9) 2_666 1_665
C16 O7 Tb1 89.6(2) . 1_665
C16 O7 Tb1 138.0(2) . 2_666
C16 O8 Tb1 97.8(2) . 1_665
O9 N1 C6 115.0(3) . .
N2 N1 O9 127.9(4) . .
N2 N1 C6 115.2(3) . .
N1 N2 C9 121.1(4) . .
C17 N3 C21 116.0(4) . .
C25 N4 C24 120.2(4) . .
O1 C1 C2 116.5(3) . .
O2 C1 O1 124.8(4) . .
O2 C1 C2 118.7(3) . .
C3 C2 C1 118.5(3) . .
C7 C2 C1 121.5(3) . .
C7 C2 C3 119.9(4) . .
C2 C3 H3 119.3 . .
C4 C3 C2 121.4(4) . .
C4 C3 H3 119.3 . .
C3 C4 H4 120.1 . .
C3 C4 C5 119.7(4) . .
C5 C4 H4 120.1 . .
C4 C5 H5 120.7 . .
C4 C5 C6 118.5(4) . .
C6 C5 H5 120.7 . .
C5 C6 N1 117.8(4) . .
C5 C6 C7 123.4(4) . .
C7 C6 N1 118.8(3) . .
C2 C7 C8 122.0(3) . .
C6 C7 C2 116.9(3) . .
C6 C7 C8 121.0(3) . .
O3 C8 C7 116.5(3) . .
O4 C8 O3 125.7(4) . .
O4 C8 C7 117.8(3) . .
C10 C9 N2 125.7(4) . .
C10 C9 C14 120.7(3) . .
C14 C9 N2 113.3(3) . .
C9 C10 H10 120.0 . .
C11 C10 C9 119.9(4) . .
C11 C10 H10 120.0 . .
C10 C11 H11 119.8 . .
C10 C11 C12 120.3(4) . .
C12 C11 H11 119.8 . .
C11 C12 H12 120.0 . .
C11 C12 C13 119.9(3) . .
C13 C12 H12 120.0 . .
C12 C13 C16 118.4(3) . .
C14 C13 C12 120.6(3) . .
C14 C13 C16 120.9(3) . .
C9 C14 C15 119.2(3) . .
C13 C14 C9 118.5(3) . .
C13 C14 C15 122.3(3) . .
O5 C15 O6 123.9(4) . .
O5 C15 C14 120.7(3) . .
O6 C15 C14 115.3(3) . .
O7 C16 Tb1 64.26(18) . 1_665
O7 C16 C13 119.9(3) . .
O8 C16 Tb1 56.77(18) . 1_665
O8 C16 O7 121.0(3) . .
O8 C16 C13 119.1(3) . .
C13 C16 Tb1 174.6(2) . 1_665
N3 C17 H17 118.1 . .
N3 C17 C18 123.8(4) . .
C18 C17 H17 118.1 . .
C17 C18 H18 120.2 . .
C19 C18 C17 119.6(4) . .
C19 C18 H18 120.2 . .
C18 C19 C22 121.9(4) . .
C20 C19 C18 116.5(4) . .
C20 C19 C22 121.7(4) . .
C19 C20 H20 120.2 . .
C21 C20 C19 119.7(4) . .
C21 C20 H20 120.2 . .
N3 C21 C20 124.4(4) . .
N3 C21 H21 117.8 . .
C20 C21 H21 117.8 . .
C23 C22 C19 122.5(4) . .
C23 C22 C26 116.5(4) . .
C26 C22 C19 121.0(4) . .
C22 C23 H23 119.6 . .
C24 C23 C22 120.8(4) . .
C24 C23 H23 119.6 . .
N4 C24 C23 120.9(4) . .
N4 C24 H24 119.6 . .
C23 C24 H24 119.6 . .
N4 C25 H25 119.4 . .
N4 C25 C26 121.2(4) . .
C26 C25 H25 119.4 . .
C22 C26 H26 119.8 . .
C25 C26 C22 120.4(4) . .
C25 C26 H26 119.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O1 2.346(2) .
Tb1 O1W 2.450(3) .
Tb1 O2W 2.410(2) .
Tb1 O3W 2.566(3) .
Tb1 O4W 2.370(2) .
Tb1 O6 2.353(2) 2_666
Tb1 O7 2.522(2) 2_666
Tb1 O7 2.598(2) 1_445
Tb1 O8 2.434(3) 1_445
Tb1 C16 2.884(4) 1_445
O1 C1 1.268(4) .
O1W H1WA 0.82(2) .
O1W H1WB 0.828(14) .
O2 C1 1.243(5) .
O2W H2WA 0.9368 .
O2W H2WB 0.9339 .
O3 C8 1.254(5) .
O3W H3WA 0.8939 .
O3W H3WB 0.8949 .
O4 C8 1.248(5) .
O4W H4WA 0.8622 .
O4W H4WB 0.8619 .
O5 C15 1.218(5) .
O5W H5WA 0.8502 .
O5W H5WB 0.8502 .
O6 Tb1 2.353(2) 2_666
O6 C15 1.282(4) .
O7 Tb1 2.598(2) 1_665
O7 Tb1 2.522(2) 2_666
O7 C16 1.273(4) .
O8 Tb1 2.435(3) 1_665
O8 C16 1.251(4) .
O9 N1 1.276(5) .
N1 N2 1.220(5) .
N1 C6 1.451(5) .
N2 C9 1.437(5) .
N3 C17 1.321(6) .
N3 C21 1.325(6) .
N4 C24 1.330(6) .
N4 C25 1.315(6) .
C1 C2 1.516(5) .
C2 C3 1.399(5) .
C2 C7 1.392(5) .
C3 H3 0.9300 .
C3 C4 1.373(6) .
C4 H4 0.9300 .
C4 C5 1.379(6) .
C5 H5 0.9300 .
C5 C6 1.385(6) .
C6 C7 1.391(5) .
C7 C8 1.521(5) .
C9 C10 1.390(5) .
C9 C14 1.405(5) .
C10 H10 0.9300 .
C10 C11 1.377(5) .
C11 H11 0.9300 .
C11 C12 1.384(5) .
C12 H12 0.9300 .
C12 C13 1.399(5) .
C13 C14 1.387(5) .
C13 C16 1.499(5) .
C14 C15 1.515(5) .
C16 Tb1 2.884(4) 1_665
C17 H17 0.9300 .
C17 C18 1.389(6) .
C18 H18 0.9300 .
C18 C19 1.382(6) .
C19 C20 1.379(6) .
C19 C22 1.482(5) .
C20 H20 0.9300 .
C20 C21 1.375(6) .
C21 H21 0.9300 .
C22 C23 1.376(6) .
C22 C26 1.384(6) .
C23 H23 0.9300 .
C23 C24 1.372(6) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C25 C26 1.376(6) .
C26 H26 0.9300 .
