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#$Date: 2022-07-01 09:41:26 +0300 (Fri, 01 Jul 2022) $
#$Revision: 276467 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/55/8105596.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_8105596
loop_
_publ_author_name
'Youzhu, Yu'
'Nana, Liu'
'Weiyun, Shi'
'Yuhua, Guo'
'Dongxu, Wu'
_publ_section_title
;
 Crystal structure of diaqua-bis(\m2-6-chloropyridin-2-olato-\k3
 N,O:O)-tetrakis(chloropyridin-2-olato-κ1 O)-bis(penanthroline-κ2
 N,N′)diterbium(III), C54H38Cl6Tb2N10O8
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              221
_journal_page_last               222
_journal_paper_doi               10.1515/ncrs-2018-0258
_journal_volume                  234
_journal_year                    2019
_chemical_formula_sum            'C54 H38 Cl6 N10 O8 Tb2'
_chemical_formula_weight         1485.48
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                115.371(3)
_cell_angle_beta                 103.452(3)
_cell_angle_gamma                107.883(3)
_cell_formula_units_Z            1
_cell_length_a                   12.0062(8)
_cell_length_b                   12.0072(8)
_cell_length_c                   12.2324(8)
_cell_measurement_reflns_used    9978
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.44
_cell_measurement_theta_min      2.88
_cell_volume                     1373.64(18)
_computing_cell_refinement       'Bruker SAINT [12]'
_computing_data_collection       'Bruker APEX2 [11]'
_computing_data_reduction        'Bruker SAINT [12]'
_computing_molecular_graphics    'SHELXL-2013 [14]'
_computing_publication_material  'SHELXL-2013 [14]'
_computing_structure_refinement  'SHELXL-2013 [13]'
_computing_structure_solution    'SHELXS-2013 [13]'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0177
_diffrn_reflns_av_unetI/netI     0.0238
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15817
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.444
_diffrn_reflns_theta_min         1.968
_exptl_absorpt_coefficient_mu    2.910
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.796
_exptl_crystal_description       block
_exptl_crystal_F_000             728
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.850
_refine_diff_density_min         -1.173
_refine_diff_density_rms         0.284
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         6820
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.140
_refine_ls_R_factor_all          0.0297
_refine_ls_R_factor_gt           0.0237
_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)+(0.0726P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0714
_refine_ls_wR_factor_ref         0.1020
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6354
_reflns_number_total             6820
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2018-0258_suppl.cif
_cod_data_source_block           1
_cod_original_cell_volume        1373.64(16)
_cod_database_code               8105596
_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.  
;
_shelx_estimated_absorpt_t_min   0.594
_shelx_estimated_absorpt_t_max   0.594
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_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.09568(2) 0.64189(2) 0.19172(2) 0.02562(7) Uani 1 1 d . . . . .
Cl3 Cl 0.35375(10) 1.05587(10) 0.28026(11) 0.0506(2) Uani 1 1 d . . . . .
N2 N 0.2154(3) 0.8795(3) 0.4109(3) 0.0324(6) Uani 1 1 d . . . . .
N5 N 0.1500(3) 0.8150(3) 0.1085(3) 0.0308(6) Uani 1 1 d . . . . .
N1 N -0.0229(3) 0.7934(3) 0.2328(3) 0.0320(6) Uani 1 1 d . . . . .
N4 N -0.2603(3) 0.3550(3) 0.1109(3) 0.0373(6) Uani 1 1 d . . . . .
C12 C 0.0432(3) 0.9276(3) 0.3358(3) 0.0311(6) Uani 1 1 d . . . . .
N3 N 0.3557(3) 0.5330(4) 0.2435(4) 0.0397(7) Uani 1 1 d . . . . .
C1 C -0.1419(4) 0.7485(5) 0.1493(4) 0.0424(9) Uani 1 1 d . . . . .
H1 H -0.1876 0.6560 0.0783 0.051 Uiso 1 1 calc R U . . .
C18 C 0.4201(4) 0.4595(4) 0.2315(5) 0.0453(10) Uani 1 1 d . . . . .
C7 C 0.2422(4) 1.1134(4) 0.5361(4) 0.0400(8) Uani 1 1 d . . . . .
C13 C 0.0475(4) 0.7183(4) -0.0095(4) 0.0336(7) Uani 1 1 d . . . . .
C10 C 0.3322(4) 0.9230(4) 0.4994(4) 0.0419(8) Uani 1 1 d . . . . .
H10 H 0.3633 0.8588 0.4886 0.050 Uiso 1 1 calc R U . . .
C11 C 0.1705(3) 0.9740(3) 0.4290(3) 0.0317(7) Uani 1 1 d . . . . .
C26 C -0.1536(4) 0.4483(4) 0.2263(4) 0.0363(7) Uani 1 1 d . . . . .
C17 C 0.2165(4) 0.9377(4) 0.1287(4) 0.0389(8) Uani 1 1 d . . . . .
C22 C 0.2898(4) 0.5362(4) 0.3192(4) 0.0391(8) Uani 1 1 d . . . . .
C2 C -0.2019(4) 0.8331(5) 0.1628(5) 0.0503(10) Uani 1 1 d . . . . .
H2 H -0.2860 0.7974 0.1025 0.060 Uiso 1 1 calc R U . . .
C23 C -0.3479(4) 0.2549(4) 0.1092(4) 0.0427(9) Uani 1 1 d . . . . .
C5 C 0.0673(5) 1.1621(4) 0.4659(5) 0.0502(10) Uani 1 1 d . . . . .
H5 H 0.0335 1.2244 0.4786 0.060 Uiso 1 1 calc R U . . .
C4 C -0.0091(4) 1.0211(4) 0.3559(4) 0.0390(8) Uani 1 1 d . . . . .
C9 C 0.4097(4) 1.0586(4) 0.6064(4) 0.0499(10) Uani 1 1 d . . . . .
H9 H 0.4912 1.0847 0.6651 0.060 Uiso 1 1 calc R U . . .
C6 C 0.1868(5) 1.2059(4) 0.5508(5) 0.0503(10) Uani 1 1 d . . . . .
H6 H 0.2349 1.2986 0.6210 0.060 Uiso 1 1 calc R U . . .
C27 C -0.1398(5) 0.4380(5) 0.3385(5) 0.0525(10) Uani 1 1 d . . . . .
H27 H -0.0672 0.5044 0.4189 0.063 Uiso 1 1 calc R U . . .
C24 C -0.3418(5) 0.2347(5) 0.2123(5) 0.0566(12) Uani 1 1 d . . . . .
H24 H -0.4074 0.1608 0.2031 0.068 Uiso 1 1 calc R U . . .
C8 C 0.3652(4) 1.1529(4) 0.6244(4) 0.0497(10) Uani 1 1 d . . . . .
H8 H 0.4166 1.2446 0.6960 0.060 Uiso 1 1 calc R U . . .
C3 C -0.1353(4) 0.9692(5) 0.2659(5) 0.0480(10) Uani 1 1 d . . . . .
H3 H -0.1738 1.0273 0.2761 0.058 Uiso 1 1 calc R U . . .
C25 C -0.2338(6) 0.3296(5) 0.3289(5) 0.0592(12) Uani 1 1 d . . . . .
H25 H -0.2237 0.3211 0.4021 0.071 Uiso 1 1 calc R U . . .
C21 C 0.2932(5) 0.4642(5) 0.3852(5) 0.0531(10) Uani 1 1 d . . . . .
H21 H 0.2508 0.4685 0.4405 0.064 Uiso 1 1 calc R U . . .
C14 C 0.0100(5) 0.7483(5) -0.1050(5) 0.0591(13) Uani 1 1 d . . . . .
H14 H -0.0609 0.6810 -0.1866 0.071 Uiso 1 1 calc R U . . .
C19 C 0.4260(5) 0.3838(5) 0.2881(6) 0.0595(12) Uani 1 1 d . . . . .
H19 H 0.4717 0.3328 0.2743 0.071 Uiso 1 1 calc R U . . .
C20 C 0.3600(6) 0.3876(6) 0.3669(6) 0.0652(14) Uani 1 1 d . . . . .
H20 H 0.3605 0.3380 0.4080 0.078 Uiso 1 1 calc R U . . .
C16 C 0.1869(6) 0.9776(5) 0.0415(6) 0.0683(16) Uani 1 1 d . . . . .
H16 H 0.2364 1.0658 0.0608 0.082 Uiso 1 1 calc R U . . .
C15 C 0.0785(7) 0.8781(6) -0.0777(7) 0.087(2) Uani 1 1 d . . . . .
H15 H 0.0520 0.9003 -0.1400 0.104 Uiso 1 1 calc R U . . .
Cl1 Cl 0.50333(12) 0.46459(13) 0.13293(14) 0.0630(3) Uani 1 1 d . . . . .
Cl2 Cl -0.48563(12) 0.13917(13) -0.04380(15) 0.0700(4) Uani 1 1 d . . . . .
O1 O -0.0129(3) 0.5980(2) -0.0235(2) 0.0335(5) Uani 1 1 d . . . . .
O3 O 0.2225(3) 0.6035(3) 0.3279(3) 0.0424(6) Uani 1 1 d . . . . .
O4 O 0.2692(3) 0.6538(3) 0.1274(3) 0.0434(6) Uani 1 1 d D . . . .
O2 O -0.0664(3) 0.5473(3) 0.2313(3) 0.0457(6) Uani 1 1 d . . . . .
H4A H 0.262(8) 0.648(8) 0.055(5) 0.13(3) Uiso 1 1 d D . . . .
H4B H 0.308(4) 0.613(5) 0.148(4) 0.054(14) Uiso 1 1 d 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'
Cl Cl 0.1484 0.1585 '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
O2 Tb1 O3 88.76(11) . .
O2 Tb1 O4 155.95(12) . .
O3 Tb1 O4 76.80(10) . .
O2 Tb1 O1 102.35(10) . .
O3 Tb1 O1 151.03(9) . .
O4 Tb1 O1 82.95(10) . .
O2 Tb1 O1 79.98(10) . 2_565
O3 Tb1 O1 86.26(9) . 2_565
O4 Tb1 O1 79.97(10) . 2_565
O1 Tb1 O1 69.82(9) . 2_565
O2 Tb1 N2 97.84(11) . .
O3 Tb1 N2 78.19(10) . .
O4 Tb1 N2 97.88(10) . .
O1 Tb1 N2 125.52(9) . .
O1 Tb1 N2 164.35(10) 2_565 .
O2 Tb1 N1 71.73(10) . .
O3 Tb1 N1 133.12(9) . .
O4 Tb1 N1 131.94(10) . .
O1 Tb1 N1 75.82(9) . .
O1 Tb1 N1 128.95(9) 2_565 .
N2 Tb1 N1 63.56(9) . .
O2 Tb1 N5 134.54(10) . .
O3 Tb1 N5 132.67(10) . .
O4 Tb1 N5 66.96(9) . .
O1 Tb1 N5 52.35(8) . .
O1 Tb1 N5 114.86(8) 2_565 .
N2 Tb1 N5 77.77(9) . .
N1 Tb1 N5 65.89(9) . .
O2 Tb1 Tb1 91.38(8) . 2_565
O3 Tb1 Tb1 119.54(7) . 2_565
O4 Tb1 Tb1 79.57(8) . 2_565
O1 Tb1 Tb1 34.96(6) . 2_565
O1 Tb1 Tb1 34.87(6) 2_565 2_565
N2 Tb1 Tb1 160.34(7) . 2_565
N1 Tb1 Tb1 103.56(6) . 2_565
N5 Tb1 Tb1 83.38(6) . 2_565
C10 N2 C11 117.6(3) . .
C10 N2 Tb1 121.8(2) . .
C11 N2 Tb1 119.7(2) . .
C17 N5 C13 118.1(3) . .
C17 N5 Tb1 152.0(3) . .
C13 N5 Tb1 89.6(2) . .
C1 N1 C12 118.3(3) . .
C1 N1 Tb1 122.5(2) . .
C12 N1 Tb1 118.9(2) . .
C23 N4 C26 116.8(3) . .
N1 C12 C4 122.5(3) . .
N1 C12 C11 117.9(3) . .
C4 C12 C11 119.6(3) . .
C18 N3 C22 118.2(4) . .
N1 C1 C2 123.1(4) . .
N3 C18 C19 126.4(5) . .
N3 C18 Cl1 114.3(4) . .
C19 C18 Cl1 119.4(4) . .
C8 C7 C11 116.9(4) . .
C8 C7 C6 123.7(4) . .
C11 C7 C6 119.3(4) . .
O1 C13 N5 114.8(3) . .
O1 C13 C14 124.3(4) . .
N5 C13 C14 120.9(3) . .
N2 C10 C9 123.5(4) . .
N2 C11 C7 122.6(3) . .
N2 C11 C12 118.2(3) . .
C7 C11 C12 119.2(3) . .
O2 C26 N4 118.3(3) . .
O2 C26 C27 121.4(4) . .
N4 C26 C27 120.3(4) . .
N5 C17 C16 125.4(4) . .
N5 C17 Cl3 116.0(3) . .
C16 C17 Cl3 118.6(3) . .
O3 C22 N3 118.9(3) . .
O3 C22 C21 121.5(4) . .
N3 C22 C21 119.6(4) . .
C3 C2 C1 119.0(4) . .
N4 C23 C24 127.1(4) . .
N4 C23 Cl2 114.1(3) . .
C24 C23 Cl2 118.8(3) . .
C6 C5 C4 121.0(4) . .
C3 C4 C12 117.4(4) . .
C3 C4 C5 123.3(4) . .
C12 C4 C5 119.3(4) . .
C8 C9 C10 119.0(4) . .
C5 C6 C7 121.5(4) . .
C25 C27 C26 119.8(5) . .
C25 C24 C23 115.9(4) . .
C9 C8 C7 120.4(4) . .
C2 C3 C4 119.8(4) . .
C24 C25 C27 120.2(4) . .
C20 C21 C22 119.4(5) . .
C15 C14 C13 119.0(4) . .
C18 C19 C20 115.8(4) . .
C21 C20 C19 120.6(5) . .
C17 C16 C15 115.6(4) . .
C14 C15 C16 120.9(5) . .
C13 O1 Tb1 102.9(2) . .
C13 O1 Tb1 136.5(2) . 2_565
Tb1 O1 Tb1 110.18(9) . 2_565
C22 O3 Tb1 137.9(3) . .
C26 O2 Tb1 155.8(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O2 2.206(3) .
Tb1 O3 2.284(3) .
Tb1 O4 2.379(3) .
Tb1 O1 2.388(3) .
Tb1 O1 2.393(2) 2_565
Tb1 N2 2.554(3) .
Tb1 N1 2.593(3) .
Tb1 N5 2.660(3) .
Tb1 Tb1 3.9207(4) 2_565
Cl3 C17 1.747(4) .
N2 C10 1.330(5) .
N2 C11 1.358(4) .
N5 C17 1.320(4) .
N5 C13 1.344(5) .
N1 C1 1.324(5) .
N1 C12 1.351(4) .
N4 C23 1.320(5) .
N4 C26 1.346(5) .
C12 C4 1.408(5) .
C12 C11 1.438(5) .
N3 C18 1.325(5) .
N3 C22 1.347(5) .
C1 C2 1.393(6) .
C18 C19 1.367(7) .
C18 Cl1 1.745(5) .
C7 C8 1.400(6) .
C7 C11 1.403(5) .
C7 C6 1.431(6) .
C13 O1 1.315(4) .
C13 C14 1.384(5) .
C10 C9 1.381(6) .
C26 O2 1.287(4) .
C26 C27 1.406(6) .
C17 C16 1.364(6) .
C22 O3 1.298(4) .
C22 C21 1.417(6) .
C2 C3 1.365(7) .
C23 C24 1.373(6) .
C23 Cl2 1.757(4) .
C5 C6 1.338(7) .
C5 C4 1.427(6) .
C4 C3 1.398(6) .
C9 C8 1.352(7) .
C27 C25 1.374(7) .
C24 C25 1.361(7) .
C21 C20 1.377(7) .
C14 C15 1.362(7) .
C19 C20 1.378(9) .
C16 C15 1.385(8) .
O1 Tb1 2.393(2) 2_565
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
O4 H4B N3 0.848(19) 1.90(3) 2.684(4) 154(5) .
O4 H4A N4 0.840(19) 2.01(2) 2.847(4) 175(9) 2_565
C24 H24 Cl2 0.93 2.90 3.615(5) 134.9 2_455
C2 H2 Cl1 0.93 2.95 3.721(5) 141.3 2_565
C10 H10 O3 0.93 2.50 3.094(5) 122.3 .
C10 H10 O3 0.93 2.50 3.094(5) 122.3 .
C2 H2 Cl1 0.93 2.95 3.721(5) 141.3 2_565
C24 H24 Cl2 0.93 2.90 3.615(5) 134.9 2_455
O4 H4A N4 0.840(19) 2.01(2) 2.847(4) 175(9) 2_565
O4 H4B N3 0.848(19) 1.90(3) 2.684(4) 154(5) .
C10 H10 O3 0.93 2.50 3.094(5) 122.3 .
C2 H2 Cl1 0.93 2.95 3.721(5) 141.3 2_565
C24 H24 Cl2 0.93 2.90 3.615(5) 134.9 2_455
O4 H4A N4 0.840(19) 2.01(2) 2.847(4) 175(9) 2_565
O4 H4B N3 0.848(19) 1.90(3) 2.684(4) 154(5) .
C10 H10 O3 0.93 2.50 3.094(5) 122.3 .
C2 H2 Cl1 0.93 2.95 3.721(5) 141.3 2_565
C24 H24 Cl2 0.93 2.90 3.615(5) 134.9 2_455
O4 H4A N4 0.840(19) 2.01(2) 2.847(4) 175(9) 2_565
O4 H4B N3 0.848(19) 1.90(3) 2.684(4) 154(5) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C1 N1 C12 C4 -1.1(5) . . . .
Tb1 N1 C12 C4 172.5(3) . . . .
C1 N1 C12 C11 177.5(3) . . . .
Tb1 N1 C12 C11 -8.9(4) . . . .
C12 N1 C1 C2 0.1(6) . . . .
Tb1 N1 C1 C2 -173.3(4) . . . .
C22 N3 C18 C19 0.7(7) . . . .
C22 N3 C18 Cl1 -179.3(3) . . . .
C17 N5 C13 O1 179.0(3) . . . .
Tb1 N5 C13 O1 -4.7(3) . . . .
C17 N5 C13 C14 -2.3(6) . . . .
Tb1 N5 C13 C14 174.0(4) . . . .
C11 N2 C10 C9 -1.0(6) . . . .
Tb1 N2 C10 C9 167.8(3) . . . .
C10 N2 C11 C7 0.1(5) . . . .
Tb1 N2 C11 C7 -169.0(3) . . . .
C10 N2 C11 C12 -178.7(3) . . . .
Tb1 N2 C11 C12 12.3(4) . . . .
C8 C7 C11 N2 0.9(6) . . . .
C6 C7 C11 N2 -178.2(4) . . . .
C8 C7 C11 C12 179.6(4) . . . .
C6 C7 C11 C12 0.5(6) . . . .
N1 C12 C11 N2 -2.1(5) . . . .
C4 C12 C11 N2 176.5(3) . . . .
N1 C12 C11 C7 179.2(3) . . . .
C4 C12 C11 C7 -2.2(5) . . . .
C23 N4 C26 O2 -179.9(3) . . . .
C23 N4 C26 C27 -0.9(5) . . . .
C13 N5 C17 C16 2.8(6) . . . .
Tb1 N5 C17 C16 -169.3(4) . . . .
C13 N5 C17 Cl3 -176.7(3) . . . .
Tb1 N5 C17 Cl3 11.2(7) . . . .
C18 N3 C22 O3 -177.5(4) . . . .
C18 N3 C22 C21 1.2(6) . . . .
N1 C1 C2 C3 0.6(8) . . . .
C26 N4 C23 C24 -0.5(6) . . . .
C26 N4 C23 Cl2 178.9(3) . . . .
N1 C12 C4 C3 1.4(5) . . . .
C11 C12 C4 C3 -177.2(3) . . . .
N1 C12 C4 C5 -179.0(4) . . . .
C11 C12 C4 C5 2.5(5) . . . .
C6 C5 C4 C3 178.6(4) . . . .
C6 C5 C4 C12 -1.0(6) . . . .
N2 C10 C9 C8 0.9(7) . . . .
C4 C5 C6 C7 -0.8(7) . . . .
C8 C7 C6 C5 -178.0(4) . . . .
C11 C7 C6 C5 1.0(7) . . . .
O2 C26 C27 C25 -178.9(4) . . . .
N4 C26 C27 C25 2.1(6) . . . .
N4 C23 C24 C25 0.7(7) . . . .
Cl2 C23 C24 C25 -178.7(4) . . . .
C10 C9 C8 C7 0.2(7) . . . .
C11 C7 C8 C9 -1.0(6) . . . .
C6 C7 C8 C9 178.0(4) . . . .
C1 C2 C3 C4 -0.2(7) . . . .
C12 C4 C3 C2 -0.7(6) . . . .
C5 C4 C3 C2 179.7(4) . . . .
C23 C24 C25 C27 0.6(7) . . . .
C26 C27 C25 C24 -1.9(7) . . . .
O3 C22 C21 C20 176.3(4) . . . .
N3 C22 C21 C20 -2.4(7) . . . .
O1 C13 C14 C15 178.4(5) . . . .
N5 C13 C14 C15 -0.2(8) . . . .
N3 C18 C19 C20 -1.3(8) . . . .
Cl1 C18 C19 C20 178.6(4) . . . .
C22 C21 C20 C19 1.8(8) . . . .
C18 C19 C20 C21 0.0(8) . . . .
N5 C17 C16 C15 -0.7(9) . . . .
Cl3 C17 C16 C15 178.8(5) . . . .
C13 C14 C15 C16 2.4(11) . . . .
C17 C16 C15 C14 -2.0(11) . . . .
N5 C13 O1 Tb1 5.4(3) . . . .
C14 C13 O1 Tb1 -173.3(4) . . . .
N5 C13 O1 Tb1 -133.6(3) . . . 2_565
C14 C13 O1 Tb1 47.7(6) . . . 2_565
N3 C22 O3 Tb1 37.7(6) . . . .
C21 C22 O3 Tb1 -141.0(4) . . . .
N4 C26 O2 Tb1 -75.6(8) . . . .
C27 C26 O2 Tb1 105.4(7) . . . .
