#------------------------------------------------------------------------------
#$Date: 2025-10-06 11:34:54 +0200 (Mon 06 de Oct de 2025) $
#$Revision: 302661 $
#$URL: svn://www.crystallography.net/cod/cif/7/71/92/7719247.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_7719247
loop_
_publ_author_name
'Jornet-Mollá, Verónica'
'Gómez-García, Carlos J'
'Dolz-Lozano, Miquel J'
'Giménez-Saiz, Carlos'
'Romero, Francisco M.'
_publ_section_title
;
 Synthesis, structure and slow magnetic relaxation of lanthanoid
 coordination polymers based on ethynyl-bridged picolinate ligands.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13143
_journal_page_last               13154
_journal_paper_doi               10.1039/d5dt01330e
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C30 H18 N2 O10 Tb, C2 H8 N'
_chemical_formula_sum            'C32 H26 N3 O10 Tb'
_chemical_formula_weight         771.48
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     difmap
_atom_sites_solution_secondary   geom
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2025-05-14 deposited with the CCDC.	2025-08-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.3607(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.95379(12)
_cell_length_b                   10.71643(11)
_cell_length_c                   24.5755(3)
_cell_measurement_reflns_used    31245
_cell_measurement_temperature    119.9(3)
_cell_measurement_theta_max      27.6800
_cell_measurement_theta_min      3.7830
_cell_volume                     3114.71(6)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      119.9(3)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0267
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -20.00  26.15   0.92    7.50    --  -17.76 -99.00  90.00   50
  2  ω    -41.00  52.22   0.92    7.50    --  -17.76  57.00 -30.00  101
  3  ω    -88.00   5.22   0.92    7.50    --  -17.76 -57.00-180.00  101
  4  ω    -91.00  13.30   0.92    7.50    --  -17.76 -38.00 -90.00  113
  5  ω    -94.00  48.14   0.92    7.50    --  -17.76 -19.00   0.00  154
  6  ω    -52.00  41.22   0.92    7.50    --   18.62 -57.00  60.00  101
  7  ω    -20.00  62.15   0.92    7.50    --   18.62 -99.00  60.00   89
  8  ω    -20.00  62.15   0.92    7.50    --   18.62 -99.00 -60.00   89
  9  ω    -20.00  62.15   0.92    7.50    --   18.62 -99.00-180.00   89
 10  ω    -20.00  26.15   0.92    7.50    --  -17.76 -99.00   0.00   50
 11  ω    -20.00  26.15   0.92    7.50    --  -17.76 -99.00-150.00   50
 12  ω    -20.00  26.15   0.92    7.50    --  -17.76 -99.00  30.00   50
 13  ω    -96.00 -35.08   0.92    7.50    --  -17.76-178.00  90.00   66
 14  ω    -88.00   5.22   0.92    7.50    --  -17.76 -57.00 -30.00  101
 15  ω    -84.00  57.22   0.92    7.50    --  -17.76  19.00-120.00  153
 16  ω    -54.00  51.22   0.92    7.50    --   18.62 -77.00  30.00  114
 17  ω    -56.00  93.53   0.92    7.50    --   18.62   0.00-150.00  162
 18  ω    -56.00 -54.15   0.92    7.50    --   18.62   0.00-120.00    2
;
_diffrn_measurement_device_type  'four-circle diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0561275000
_diffrn_orient_matrix_UB_12      0.0163283000
_diffrn_orient_matrix_UB_13      0.0112232000
_diffrn_orient_matrix_UB_21      -0.0175321000
_diffrn_orient_matrix_UB_22      0.0623421000
_diffrn_orient_matrix_UB_23      0.0035081000
_diffrn_orient_matrix_UB_31      -0.0117757000
_diffrn_orient_matrix_UB_32      -0.0150778000
_diffrn_orient_matrix_UB_33      0.0267002000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_av_unetI/netI     0.0123
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            40403
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.740
_diffrn_reflns_theta_min         3.352
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.333
_exptl_absorpt_correction_T_max  0.949
_exptl_absorpt_correction_T_min  0.889
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_description       spearhead
_exptl_crystal_F_000             1536
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_size_max          0.324
_exptl_crystal_size_mid          0.194
_exptl_crystal_size_min          0.118
_refine_diff_density_max         0.414
_refine_diff_density_min         -0.279
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    hetero
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         3519
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0140
_refine_ls_R_factor_gt           0.0128
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0123P)²+3.8874P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0311
_refine_ls_wR_factor_ref         0.0318
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3394
_reflns_number_total             3519
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt01330e2.cif
_cod_data_source_block           picCOOTb-c3
_cod_depositor_comments
'Adding full bibliography for 7719245--7719249.cif.'
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               7719247
_shelx_shelxl_version_number     2019/3
_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   0.519
_shelx_estimated_absorpt_t_max   0.770
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'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_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 0.750000 0.56215(2) 0.000000 0.01170(3) Uani 1 2 d S T P . .
O1 O 0.68291(9) 0.48409(10) 0.07762(4) 0.0185(2) Uani 1 1 d . . . . .
O2 O 0.79189(9) 0.33399(11) 0.12069(4) 0.0244(2) Uani 1 1 d . . . . .
O3 O 0.07337(8) 0.16951(9) 0.49506(4) 0.0162(2) Uani 1 1 d . . . . .
O4 O -0.05546(9) 0.30691(11) 0.45654(5) 0.0247(2) Uani 1 1 d . . . . .
O1W O 0.87879(9) 0.40638(11) 0.03503(5) 0.0196(2) Uani 1 1 d . . . . .
H1WA H 0.9373(18) 0.3845(19) 0.0260(8) 0.029 Uiso 1 1 d . U . . .
H1WB H 0.8643(17) 0.3766(19) 0.0631(9) 0.029 Uiso 1 1 d . U . . .
N1 N 0.21374(10) 0.22943(12) 0.42510(5) 0.0175(2) Uani 1 1 d . . . . .
C1 C 0.70681(12) 0.40326(14) 0.11521(6) 0.0175(3) Uani 1 1 d . . . . .
C2 C 0.62692(12) 0.39354(15) 0.15719(6) 0.0182(3) Uani 1 1 d . . . . .
C3 C 0.64693(13) 0.30688(17) 0.19943(6) 0.0259(3) Uani 1 1 d . . . . .
H3 H 0.710555 0.253068 0.201424 0.031 Uiso 1 1 calc R U . . .
C4 C 0.57502(14) 0.29796(17) 0.23879(7) 0.0287(4) Uani 1 1 d . . . . .
H4 H 0.590219 0.239246 0.267887 0.034 Uiso 1 1 calc R U . . .
C5 C 0.48052(13) 0.37517(16) 0.23562(6) 0.0218(3) Uani 1 1 d . . . . .
C6 C 0.45959(13) 0.46169(15) 0.19289(6) 0.0225(3) Uani 1 1 d . . . . .
H6 H 0.395155 0.514414 0.190325 0.027 Uiso 1 1 calc R U . . .
C7 C 0.53276(13) 0.47069(15) 0.15421(6) 0.0214(3) Uani 1 1 d . . . . .
H7 H 0.518434 0.530168 0.125374 0.026 Uiso 1 1 calc R U . . .
C8 C 0.03542(12) 0.25121(13) 0.45934(6) 0.0159(3) Uani 1 1 d . . . . .
C9 C 0.11076(12) 0.28200(13) 0.41669(6) 0.0161(3) Uani 1 1 d . . . . .
C10 C 0.07530(13) 0.35979(15) 0.37253(6) 0.0212(3) Uani 1 1 d . . . . .
H10 H 0.001825 0.395573 0.367934 0.025 Uiso 1 1 calc R U . . .
C11 C 0.14868(13) 0.38449(16) 0.33521(6) 0.0247(3) Uani 1 1 d . . . . .
H11 H 0.126004 0.436778 0.304359 0.030 Uiso 1 1 calc R U . . .
C12 C 0.25653(13) 0.33151(15) 0.34353(6) 0.0218(3) Uani 1 1 d . . . . .
C13 C 0.28498(12) 0.25471(15) 0.38931(6) 0.0210(3) Uani 1 1 d . . . . .
H13 H 0.358366 0.218703 0.395351 0.025 Uiso 1 1 calc R U . . .
C14 C 0.33645(14) 0.35170(16) 0.30630(6) 0.0251(3) Uani 1 1 d . . . . .
C15 C 0.40300(13) 0.36366(16) 0.27490(6) 0.0245(3) Uani 1 1 d . . . . .
N2 N -0.250000 0.34236(18) 0.500000 0.0236(4) Uani 1 2 d S T P . .
H2N H -0.1979(16) 0.2940(19) 0.4883(8) 0.035 Uiso 1 1 d . U . . .
C16 C -0.30238(16) 0.41879(17) 0.45322(8) 0.0352(4) Uani 1 1 d . . . . .
H16A H -0.335901 0.364021 0.423292 0.053 Uiso 1 1 calc R U . . .
H16B H -0.361416 0.471573 0.464963 0.053 Uiso 1 1 calc R U . . .
H16C H -0.244633 0.471568 0.440330 0.053 Uiso 1 1 calc R U . . .
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
_geom_angle_publ_flag
O1 Tb1 O1 137.90(5) 2_655 . ?
O1 Tb1 O1W 76.08(4) 2_655 . ?
O1 Tb1 O1W 74.33(4) . . ?
O1 Tb1 O1W 74.33(4) 2_655 2_655 ?
O1 Tb1 O1W 76.08(4) . 2_655 ?
O1W Tb1 O1W 89.37(6) . 2_655 ?
O1 Tb1 O3 78.93(3) 2_655 4 ?
O1 Tb1 O3 122.52(3) . 4 ?
O1W Tb1 O3 78.26(4) . 4 ?
O1W Tb1 O3 152.56(4) 2_655 4 ?
O1 Tb1 O3 122.52(3) 2_655 3_554 ?
O1 Tb1 O3 78.93(3) . 3_554 ?
O1W Tb1 O3 152.56(4) . 3_554 ?
O1W Tb1 O3 78.26(4) 2_655 3_554 ?
O3 Tb1 O3 122.50(5) 4 3_554 ?
O1 Tb1 N1 142.90(4) 2_655 4 ?
O1 Tb1 N1 72.85(4) . 4 ?
O1W Tb1 N1 101.58(4) . 4 ?
O1W Tb1 N1 142.63(4) 2_655 4 ?
O3 Tb1 N1 64.59(3) 4 4 ?
O3 Tb1 N1 75.86(4) 3_554 4 ?
O1 Tb1 N1 72.86(4) 2_655 3_554 ?
O1 Tb1 N1 142.90(4) . 3_554 ?
O1W Tb1 N1 142.62(4) . 3_554 ?
O1W Tb1 N1 101.58(4) 2_655 3_554 ?
O3 Tb1 N1 75.86(4) 4 3_554 ?
O3 Tb1 N1 64.59(3) 3_554 3_554 ?
N1 Tb1 N1 91.15(6) 4 3_554 ?
C1 O1 Tb1 140.70(9) . . ?
C8 O3 Tb1 126.02(8) . 3_445 ?
Tb1 O1W H1WA 131.4(14) . . ?
Tb1 O1W H1WB 112.7(14) . . ?
H1WA O1W H1WB 115(2) . . ?
C13 N1 C9 118.11(13) . . ?
C13 N1 Tb1 123.84(10) . 3_445 ?
C9 N1 Tb1 117.39(9) . 3_445 ?
O2 C1 O1 125.27(13) . . ?
O2 C1 C2 118.12(13) . . ?
O1 C1 C2 116.59(13) . . ?
C3 C2 C7 119.19(13) . . ?
C3 C2 C1 120.05(14) . . ?
C7 C2 C1 120.76(13) . . ?
C2 C3 C4 120.72(15) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C3 C4 C5 119.97(15) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 119.45(14) . . ?
C4 C5 C15 120.54(14) . . ?
C6 C5 C15 119.98(14) . . ?
C7 C6 C5 120.02(15) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C7 C2 120.64(14) . . ?
C6 C7 H7 119.7 . . ?
C2 C7 H7 119.7 . . ?
O4 C8 O3 126.37(13) . . ?
O4 C8 C9 117.65(13) . . ?
O3 C8 C9 115.98(12) . . ?
N1 C9 C10 122.85(13) . . ?
N1 C9 C8 115.25(12) . . ?
C10 C9 C8 121.90(13) . . ?
C11 C10 C9 118.90(14) . . ?
C11 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
C10 C11 C12 119.07(14) . . ?
C10 C11 H11 120.5 . . ?
C12 C11 H11 120.5 . . ?
C13 C12 C11 118.00(13) . . ?
C13 C12 C14 119.81(14) . . ?
C11 C12 C14 122.18(14) . . ?
N1 C13 C12 123.06(14) . . ?
N1 C13 H13 118.5 . . ?
C12 C13 H13 118.5 . . ?
C15 C14 C12 177.45(19) . . ?
C14 C15 C5 177.86(19) . . ?
C16 N2 C16 112.5(2) 2_456 . ?
C16 N2 H2N 109.7(13) 2_456 . ?
C16 N2 H2N 108.1(13) . . ?
C16 N2 H2N 108.1(13) 2_456 2_456 ?
C16 N2 H2N 109.7(13) . 2_456 ?
H2N N2 H2N 109(3) . 2_456 ?
N2 C16 H16A 109.5 . . ?
N2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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 O1 2.3294(9) 2_655 ?
Tb1 O1 2.3294(9) . ?
Tb1 O1W 2.3479(11) . ?
Tb1 O1W 2.3479(11) 2_655 ?
Tb1 O3 2.3920(10) 4 ?
Tb1 O3 2.3920(10) 3_554 ?
Tb1 N1 2.5608(12) 4 ?
Tb1 N1 2.5608(12) 3_554 ?
O1 C1 1.2683(18) . ?
O2 C1 1.2504(18) . ?
O3 C8 1.2756(17) . ?
O4 C8 1.2327(17) . ?
O1W H1WA 0.80(2) . ?
O1W H1WB 0.80(2) . ?
N1 C13 1.3379(18) . ?
N1 C9 1.3421(18) . ?
C1 C2 1.5078(19) . ?
C2 C3 1.387(2) . ?
C2 C7 1.390(2) . ?
C3 C4 1.388(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.393(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.396(2) . ?
C5 C15 1.437(2) . ?
C6 C7 1.385(2) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.5141(18) . ?
C9 C10 1.385(2) . ?
C10 C11 1.384(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.396(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.396(2) . ?
C12 C14 1.432(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.193(2) . ?
N2 C16 1.475(2) 2_456 ?
N2 C16 1.475(2) . ?
N2 H2N 0.889(19) . ?
N2 H2N 0.889(19) 2_456 ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 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
_geom_hbond_publ_flag
O1W H1WA O3 0.80(2) 1.98(2) 2.7750(14) 173(2) 8_654 yes
O1W H1WB O2 0.80(2) 1.82(2) 2.5979(15) 163(2) . yes
N2 H2N O4 0.889(19) 1.979(19) 2.7231(10) 140.4(18) . yes
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
_geom_torsion_publ_flag
Tb1 O1 C1 O2 1.9(3) . . . . ?
Tb1 O1 C1 C2 -179.76(10) . . . . ?
O2 C1 C2 C3 -1.9(2) . . . . ?
O1 C1 C2 C3 179.65(14) . . . . ?
O2 C1 C2 C7 178.06(14) . . . . ?
O1 C1 C2 C7 -0.4(2) . . . . ?
C7 C2 C3 C4 -0.9(3) . . . . ?
C1 C2 C3 C4 179.13(15) . . . . ?
C2 C3 C4 C5 1.1(3) . . . . ?
C3 C4 C5 C6 -0.5(3) . . . . ?
C3 C4 C5 C15 177.62(16) . . . . ?
C4 C5 C6 C7 -0.3(2) . . . . ?
C15 C5 C6 C7 -178.39(15) . . . . ?
C5 C6 C7 C2 0.5(2) . . . . ?
C3 C2 C7 C6 0.1(2) . . . . ?
C1 C2 C7 C6 -179.90(14) . . . . ?
Tb1 O3 C8 O4 -179.99(11) 3_445 . . . ?
Tb1 O3 C8 C9 -0.29(17) 3_445 . . . ?
C13 N1 C9 C10 0.6(2) . . . . ?
Tb1 N1 C9 C10 -170.40(11) 3_445 . . . ?
C13 N1 C9 C8 -178.92(13) . . . . ?
Tb1 N1 C9 C8 10.06(16) 3_445 . . . ?
O4 C8 C9 N1 172.90(13) . . . . ?
O3 C8 C9 N1 -6.83(19) . . . . ?
O4 C8 C9 C10 -6.6(2) . . . . ?
O3 C8 C9 C10 173.63(13) . . . . ?
N1 C9 C10 C11 0.2(2) . . . . ?
C8 C9 C10 C11 179.69(14) . . . . ?
C9 C10 C11 C12 -0.7(2) . . . . ?
C10 C11 C12 C13 0.5(2) . . . . ?
C10 C11 C12 C14 179.23(16) . . . . ?
C9 N1 C13 C12 -0.9(2) . . . . ?
Tb1 N1 C13 C12 169.51(12) 3_445 . . . ?
C11 C12 C13 N1 0.3(2) . . . . ?
C14 C12 C13 N1 -178.44(15) . . . . ?
