#------------------------------------------------------------------------------
#$Date: 2019-11-17 08:47:43 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228938 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/00/7230031.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_7230031
loop_
_publ_author_name
'Zeng, Cheng-Hui'
'Wu, Haiming'
'Luo, Zhixun'
'Yao, Jiannian'
_publ_section_title
;
 Weak interactions cause selective cocrystal formation of lanthanide
 nitrates and tetra-2-pyridinylpyrazine
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              1123
_journal_paper_doi               10.1039/C7CE02098H
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C24 H16 N11 O15 Tb'
_chemical_formula_weight         857.41
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-09-30 deposited with the CCDC.
2018-01-25 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 96.62(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.434(2)
_cell_length_b                   19.348(4)
_cell_length_c                   13.721(3)
_cell_measurement_reflns_used    5620
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4851
_cell_measurement_theta_min      2.0793
_cell_volume                     3015.2(11)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'multiwire proportional'
_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  0.0472
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18074
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    2.440
_exptl_absorpt_correction_T_max  0.8674
_exptl_absorpt_correction_T_min  0.4202
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.889
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.032
_refine_diff_density_min         -0.944
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         3413
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0856P)²+17.6718P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1238
_refine_ls_wR_factor_ref         0.1245
_reflns_number_gt                3385
_reflns_number_total             3413
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ce02098h2.cif
_cod_data_source_block           1-Tb
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7230030--7230033.cif.
;
_cod_original_cell_volume        3015.2(10)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7230031
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
N5 N 0.5143(4) 0.1346(2) -0.0193(3) 0.0301(8) Uani 1 1 d .
N4 N 0.5762(4) 0.2391(2) 0.0831(4) 0.0359(9) Uani 1 1 d .
C6 C 0.3661(4) 0.2607(2) 0.0342(3) 0.0251(8) Uani 1 1 d .
N6 N 0.2159(3) 0.1935(2) -0.0523(3) 0.0257(7) Uani 1 1 d .
C7 C 0.3294(4) 0.2004(2) -0.0205(3) 0.0252(8) Uani 1 1 d .
C5 C 0.4858(4) 0.2838(2) 0.0774(4) 0.0281(9) Uani 1 1 d .
C12 C 0.5798(4) 0.0824(3) -0.0479(4) 0.0337(10) Uani 1 1 d .
H12 H 0.6596 0.0808 -0.0252 0.040 Uiso 1 1 calc R
C4 C 0.5041(4) 0.3506(3) 0.1130(4) 0.0339(10) Uani 1 1 d .
H4 H 0.4421 0.3819 0.1083 0.041 Uiso 1 1 calc R
C8 C 0.3999(4) 0.1400(2) -0.0515(3) 0.0255(8) Uani 1 1 d .
C10 C 0.4132(5) 0.0342(3) -0.1417(4) 0.0324(10) Uani 1 1 d .
H10 H 0.3780 -0.0002 -0.1825 0.039 Uiso 1 1 calc R
C3 C 0.6150(5) 0.3706(3) 0.1554(5) 0.0391(12) Uani 1 1 d .
H3 H 0.6279 0.4152 0.1792 0.047 Uiso 1 1 calc R
C11 C 0.5327(5) 0.0311(3) -0.1096(4) 0.0347(10) Uani 1 1 d .
H11 H 0.5794 -0.0045 -0.1292 0.042 Uiso 1 1 calc R
C9 C 0.3460(4) 0.0891(3) -0.1125(4) 0.0291(9) Uani 1 1 d .
H9 H 0.2658 0.0915 -0.1337 0.035 Uiso 1 1 calc R
C1 C 0.6837(4) 0.2576(3) 0.1235(5) 0.0424(13) Uani 1 1 d .
H1 H 0.7449 0.2258 0.1260 0.051 Uiso 1 1 calc R
C2 C 0.7058(4) 0.3233(3) 0.1619(4) 0.0392(12) Uani 1 1 d .
H2 H 0.7804 0.3352 0.1913 0.047 Uiso 1 1 calc R
Tb1 Tb 0.0000 0.111714(14) 0.2500 0.02575(13) Uani 1 2 d S
O7 O -0.0491(3) 0.22725(17) 0.1781(3) 0.0329(7) Uani 1 1 d .
O8 O 0.0000 0.3251(2) 0.2500 0.0329(10) Uani 1 2 d S
O3 O 0.3362(5) 0.1155(2) 0.1693(5) 0.0595(14) Uani 1 1 d U
N1 N 0.2354(5) 0.1130(2) 0.1885(4) 0.0421(11) Uani 1 1 d U
N3 N 0.0000 0.2614(3) 0.2500 0.0269(11) Uani 1 2 d S
O6 O 0.1535(4) 0.0077(2) 0.4898(3) 0.0478(10) Uani 1 1 d U
O4 O 0.1155(7) 0.1043(2) 0.4112(4) 0.0715(16) Uani 1 1 d U
N2 N 0.1031(4) 0.0391(2) 0.4212(3) 0.0365(9) Uani 1 1 d U
O2 O 0.1957(5) 0.0607(3) 0.2277(5) 0.0794(16) Uani 1 1 d U
O5 O 0.0406(4) 0.0105(2) 0.3526(3) 0.0522(11) Uani 1 1 d U
O1 O 0.1620(5) 0.1575(3) 0.1663(5) 0.0778(16) Uani 1 1 d 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
C8 N5 C12 121.3(4) . .
C5 N4 C1 121.1(5) . .
N6 C6 C7 118.2(4) 7 .
N6 C6 C5 110.9(4) 7 .
C7 C6 C5 130.9(4) . .
C7 N6 C6 123.5(4) . 7
N6 C7 C6 118.3(4) . .
N6 C7 C8 111.2(4) . .
C6 C7 C8 130.5(4) . .
N4 C5 C4 119.7(4) . .
N4 C5 C6 119.6(4) . .
C4 C5 C6 120.8(4) . .
N5 C12 C11 122.2(5) . .
N5 C12 H12 118.9 . .
C11 C12 H12 118.9 . .
C5 C4 C3 120.0(5) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
N5 C8 C9 119.6(4) . .
N5 C8 C7 120.1(4) . .
C9 C8 C7 120.3(4) . .
C9 C10 C11 119.7(5) . .
C9 C10 H10 120.1 . .
C11 C10 H10 120.1 . .
C2 C3 C4 119.1(5) . .
C2 C3 H3 120.4 . .
C4 C3 H3 120.4 . .
C12 C11 C10 117.8(4) . .
C12 C11 H11 121.1 . .
C10 C11 H11 121.1 . .
C10 C9 C8 119.4(4) . .
C10 C9 H9 120.3 . .
C8 C9 H9 120.3 . .
N4 C1 C2 121.4(5) . .
N4 C1 H1 119.3 . .
C2 C1 H1 119.3 . .
C3 C2 C1 118.7(5) . .
C3 C2 H2 120.6 . .
C1 C2 H2 120.6 . .
O5 Tb1 O5 72.3(2) 2 .
O5 Tb1 O4 121.63(15) 2 .
O5 Tb1 O4 51.72(15) . .
O5 Tb1 O4 51.72(15) 2 2
O5 Tb1 O4 121.63(15) . 2
O4 Tb1 O4 173.2(2) . 2
O5 Tb1 O1 117.34(17) 2 2
O5 Tb1 O1 97.1(2) . 2
O4 Tb1 O1 87.5(3) . 2
O4 Tb1 O1 95.0(3) 2 2
O5 Tb1 O1 97.1(2) 2 .
O5 Tb1 O1 117.34(17) . .
O4 Tb1 O1 95.0(3) . .
O4 Tb1 O1 87.5(3) 2 .
O1 Tb1 O1 137.7(3) 2 .
O5 Tb1 O7 167.83(15) 2 2
O5 Tb1 O7 118.52(13) . 2
O4 Tb1 O7 67.66(13) . 2
O4 Tb1 O7 119.10(13) 2 2
O1 Tb1 O7 68.72(14) 2 2
O1 Tb1 O7 73.27(19) . 2
O5 Tb1 O7 118.52(13) 2 .
O5 Tb1 O7 167.83(15) . .
O4 Tb1 O7 119.10(13) . .
O4 Tb1 O7 67.66(13) 2 .
O1 Tb1 O7 73.27(19) 2 .
O1 Tb1 O7 68.72(14) . .
O7 Tb1 O7 51.45(16) 2 .
O5 Tb1 O2 68.74(18) 2 2
O5 Tb1 O2 74.0(2) . 2
O4 Tb1 O2 105.3(3) . 2
O4 Tb1 O2 71.9(3) 2 2
O1 Tb1 O2 49.50(17) 2 2
O1 Tb1 O2 159.3(3) . 2
O7 Tb1 O2 118.22(15) 2 2
O7 Tb1 O2 103.89(19) . 2
O5 Tb1 O2 73.9(2) 2 .
O5 Tb1 O2 68.74(18) . .
O4 Tb1 O2 71.9(3) . .
O4 Tb1 O2 105.3(3) 2 .
O1 Tb1 O2 159.3(3) 2 .
O1 Tb1 O2 49.50(17) . .
O7 Tb1 O2 103.89(19) 2 .
O7 Tb1 O2 118.22(15) . .
O2 Tb1 O2 133.4(3) 2 .
O5 Tb1 N2 25.43(13) 2 2
O5 Tb1 N2 96.46(14) . 2
O4 Tb1 N2 147.02(14) . 2
O4 Tb1 N2 26.30(14) 2 2
O1 Tb1 N2 107.39(17) 2 2
O1 Tb1 N2 93.1(2) . 2
O7 Tb1 N2 144.97(12) 2 2
O7 Tb1 N2 93.62(12) . 2
O2 Tb1 N2 67.49(17) 2 2
O2 Tb1 N2 89.7(2) . 2
O5 Tb1 N2 96.46(14) 2 .
O5 Tb1 N2 25.43(13) . .
O4 Tb1 N2 26.30(14) . .
O4 Tb1 N2 147.02(14) 2 .
O1 Tb1 N2 93.1(2) 2 .
O1 Tb1 N2 107.39(17) . .
O7 Tb1 N2 93.62(12) 2 .
O7 Tb1 N2 144.97(12) . .
O2 Tb1 N2 89.7(2) 2 .
O2 Tb1 N2 67.49(17) . .
N2 Tb1 N2 121.39(18) 2 .
N3 O7 Tb1 95.8(3) . .
O3 N1 O1 124.2(5) . .
O3 N1 O2 121.7(5) . .
O1 N1 O2 113.9(5) . .
O3 N1 Tb1 175.4(5) . .
O1 N1 Tb1 56.3(3) . .
O2 N1 Tb1 58.5(3) . .
O8 N3 O7 121.5(3) . 2
O8 N3 O7 121.5(3) . .
O7 N3 O7 116.9(5) 2 .
O8 N3 Tb1 180.0 . .
O7 N3 Tb1 58.5(3) 2 .
O7 N3 Tb1 58.5(3) . .
N2 O4 Tb1 95.8(3) . .
O6 N2 O5 123.1(5) . .
O6 N2 O4 122.1(5) . .
O5 N2 O4 114.7(5) . .
O6 N2 Tb1 175.3(4) . .
O5 N2 Tb1 56.8(2) . .
O4 N2 Tb1 57.9(3) . .
N1 O2 Tb1 96.2(4) . .
N2 O5 Tb1 97.7(3) . .
N1 O1 Tb1 99.4(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N5 C8 1.336(6) .
N5 C12 1.344(6) .
N4 C5 1.342(6) .
N4 C1 1.338(6) .
C6 N6 1.335(6) 7
C6 C7 1.423(6) .
C6 C5 1.496(6) .
N6 C7 1.328(6) .
N6 C6 1.335(6) 7
C7 C8 1.509(6) .
C5 C4 1.388(7) .
C12 C11 1.373(8) .
C12 H12 0.9300 .
C4 C3 1.388(7) .
C4 H4 0.9300 .
C8 C9 1.391(7) .
C10 C9 1.397(7) .
C10 C11 1.388(7) .
C10 H10 0.9300 .
C3 C2 1.378(8) .
C3 H3 0.9300 .
C11 H11 0.9300 .
C9 H9 0.9300 .
C1 C2 1.388(8) .
C1 H1 0.9300 .
C2 H2 0.9300 .
Tb1 O5 2.426(4) 2
Tb1 O5 2.426(4) .
Tb1 O4 2.446(5) .
Tb1 O4 2.446(5) 2
Tb1 O1 2.455(5) 2
Tb1 O1 2.455(5) .
Tb1 O7 2.481(4) 2
Tb1 O7 2.481(3) .
Tb1 O2 2.496(5) 2
Tb1 O2 2.496(5) .
Tb1 N2 2.872(4) 2
Tb1 N2 2.872(4) .
O7 N3 1.264(4) .
O8 N3 1.232(7) .
O3 N1 1.212(7) .
N1 O1 1.218(7) .
N1 O2 1.256(7) .
N3 O7 1.264(4) 2
O6 N2 1.209(6) .
O4 N2 1.279(6) .
N2 O5 1.244(6) .
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_4
C6 N6 C7 C6 -1.3(8) 7 .
C6 N6 C7 C8 179.3(4) 7 .
N6 C6 C7 N6 1.3(7) 7 .
C5 C6 C7 N6 -178.6(5) . .
N6 C6 C7 C8 -179.5(4) 7 .
C5 C6 C7 C8 0.7(8) . .
C1 N4 C5 C4 0.8(8) . .
C1 N4 C5 C6 -178.3(5) . .
N6 C6 C5 N4 167.6(5) 7 .
C7 C6 C5 N4 -12.6(8) . .
N6 C6 C5 C4 -11.6(7) 7 .
C7 C6 C5 C4 168.3(5) . .
C8 N5 C12 C11 -1.5(8) . .
N4 C5 C4 C3 -1.0(8) . .
C6 C5 C4 C3 178.2(5) . .
C12 N5 C8 C9 2.9(7) . .
C12 N5 C8 C7 -178.2(4) . .
N6 C7 C8 N5 -174.1(4) . .
C6 C7 C8 N5 6.6(8) . .
N6 C7 C8 C9 4.8(6) . .
C6 C7 C8 C9 -174.5(5) . .
C5 C4 C3 C2 -0.1(9) . .
N5 C12 C11 C10 -0.6(8) . .
C9 C10 C11 C12 1.3(7) . .
C11 C10 C9 C8 0.0(7) . .
N5 C8 C9 C10 -2.1(7) . .
C7 C8 C9 C10 179.0(4) . .
C5 N4 C1 C2 0.5(9) . .
C4 C3 C2 C1 1.4(10) . .
N4 C1 C2 C3 -1.6(10) . .
O5 Tb1 O7 N3 -171.70(19) 2 .
O5 Tb1 O7 N3 37.0(7) . .
O4 Tb1 O7 N3 -1.5(3) . .
O4 Tb1 O7 N3 178.6(3) 2 .
O1 Tb1 O7 N3 75.8(2) 2 .
O1 Tb1 O7 N3 -85.1(3) . .
O7 Tb1 O7 N3 0.0 2 .
O2 Tb1 O7 N3 115.2(2) 2 .
O2 Tb1 O7 N3 -85.5(3) . .
N2 Tb1 O7 N3 -177.1(2) 2 .
N2 Tb1 O7 N3 5.1(4) . .
O5 Tb1 N1 O3 -149(5) 2 .
O5 Tb1 N1 O3 -77(5) . .
O4 Tb1 N1 O3 -27(5) . .
O4 Tb1 N1 O3 160(5) 2 .
O1 Tb1 N1 O3 37(5) 2 .
O1 Tb1 N1 O3 98(5) . .
O7 Tb1 N1 O3 41(5) 2 .
O7 Tb1 N1 O3 92(5) . .
O2 Tb1 N1 O3 -134(5) 2 .
O2 Tb1 N1 O3 -93(5) . .
N2 Tb1 N1 O3 -174(5) 2 .
N2 Tb1 N1 O3 -53(5) . .
O5 Tb1 N1 O1 112.9(5) 2 .
O5 Tb1 N1 O1 -174.9(5) . .
O4 Tb1 N1 O1 -124.5(5) . .
O4 Tb1 N1 O1 62.3(5) 2 .
O1 Tb1 N1 O1 -61.0(10) 2 .
O7 Tb1 N1 O1 -56.5(5) 2 .
O7 Tb1 N1 O1 -5.5(5) . .
O2 Tb1 N1 O1 128.4(7) 2 .
O2 Tb1 N1 O1 168.8(8) . .
N2 Tb1 N1 O1 88.3(5) 2 .
N2 Tb1 N1 O1 -150.4(5) . .
O5 Tb1 N1 O2 -55.9(5) 2 .
O5 Tb1 N1 O2 16.2(5) . .
O4 Tb1 N1 O2 66.6(5) . .
O4 Tb1 N1 O2 -106.5(5) 2 .
O1 Tb1 N1 O2 130.2(7) 2 .
O1 Tb1 N1 O2 -168.8(8) . .
O7 Tb1 N1 O2 134.6(5) 2 .
O7 Tb1 N1 O2 -174.3(5) . .
O2 Tb1 N1 O2 -40.4(10) 2 .
N2 Tb1 N1 O2 -80.5(5) 2 .
N2 Tb1 N1 O2 40.7(5) . .
Tb1 O7 N3 O8 180.0 . .
Tb1 O7 N3 O7 0.0 . 2
O5 Tb1 N3 O8 78(100) 2 .
O5 Tb1 N3 O8 -102(100) . .
O4 Tb1 N3 O8 -116(100) . .
O4 Tb1 N3 O8 64(100) 2 .
O1 Tb1 N3 O8 -30(100) 2 .
O1 Tb1 N3 O8 150(100) . .
O7 Tb1 N3 O8 -115(100) 2 .
O7 Tb1 N3 O8 65(100) . .
O2 Tb1 N3 O8 -8(100) 2 .
O2 Tb1 N3 O8 172(100) . .
N2 Tb1 N3 O8 69(100) 2 .
N2 Tb1 N3 O8 -111(100) . .
O5 Tb1 N3 O7 -167.6(3) 2 2
O5 Tb1 N3 O7 12.4(3) . 2
O4 Tb1 N3 O7 -1.3(3) . 2
O4 Tb1 N3 O7 178.7(3) 2 2
O1 Tb1 N3 O7 84.7(3) 2 2
O1 Tb1 N3 O7 -95.3(3) . 2
O7 Tb1 N3 O7 180.0 . 2
O2 Tb1 N3 O7 107.0(3) 2 2
O2 Tb1 N3 O7 -73.0(3) . 2
N2 Tb1 N3 O7 -176.7(2) 2 2
N2 Tb1 N3 O7 3.3(2) . 2
O5 Tb1 N3 O7 12.4(3) 2 .
O5 Tb1 N3 O7 -167.6(3) . .
O4 Tb1 N3 O7 178.7(3) . .
O4 Tb1 N3 O7 -1.3(3) 2 .
O1 Tb1 N3 O7 -95.3(3) 2 .
O1 Tb1 N3 O7 84.7(3) . .
O7 Tb1 N3 O7 180.0 2 .
O2 Tb1 N3 O7 -73.0(3) 2 .
O2 Tb1 N3 O7 107.0(3) . .
N2 Tb1 N3 O7 3.3(2) 2 .
N2 Tb1 N3 O7 -176.7(2) . .
O5 Tb1 O4 N2 -18.6(6) 2 .
O5 Tb1 O4 N2 1.1(4) . .
O4 Tb1 O4 N2 -9.1(5) 2 .
O1 Tb1 O4 N2 102.3(5) 2 .
O1 Tb1 O4 N2 -120.1(5) . .
O7 Tb1 O4 N2 170.3(5) 2 .
O7 Tb1 O4 N2 171.5(4) . .
O2 Tb1 O4 N2 55.6(5) 2 .
O2 Tb1 O4 N2 -75.7(5) . .
N2 Tb1 O4 N2 -16.5(8) 2 .
Tb1 O4 N2 O6 174.5(5) . .
Tb1 O4 N2 O5 -1.9(6) . .
O5 Tb1 N2 O6 73(5) 2 .
O5 Tb1 N2 O6 91(5) . .
O4 Tb1 N2 O6 -91(5) . .
O4 Tb1 N2 O6 87(5) 2 .
O1 Tb1 N2 O6 -169(5) 2 .
O1 Tb1 N2 O6 -27(5) . .
O7 Tb1 N2 O6 -100(5) 2 .
O7 Tb1 N2 O6 -104(5) . .
O2 Tb1 N2 O6 142(5) 2 .
O2 Tb1 N2 O6 3(5) . .
N2 Tb1 N2 O6 78(5) 2 .
O5 Tb1 N2 O5 -17.9(5) 2 .
O4 Tb1 N2 O5 177.9(7) . .
O4 Tb1 N2 O5 -4.0(6) 2 .
O1 Tb1 N2 O5 100.0(4) 2 .
O1 Tb1 N2 O5 -117.5(4) . .
O7 Tb1 N2 O5 168.9(4) 2 .
O7 Tb1 N2 O5 164.9(3) . .
O2 Tb1 N2 O5 50.6(4) 2 .
O2 Tb1 N2 O5 -87.6(4) . .
N2 Tb1 N2 O5 -12.5(3) 2 .
O5 Tb1 N2 O4 164.2(5) 2 .
O5 Tb1 N2 O4 -177.9(7) . .
O4 Tb1 N2 O4 178.04(11) 2 .
O1 Tb1 N2 O4 -77.9(5) 2 .
O1 Tb1 N2 O4 64.6(5) . .
O7 Tb1 N2 O4 -9.0(5) 2 .
O7 Tb1 N2 O4 -13.0(6) . .
O2 Tb1 N2 O4 -127.3(5) 2 .
O2 Tb1 N2 O4 94.5(5) . .
N2 Tb1 N2 O4 169.5(5) 2 .
O3 N1 O2 Tb1 174.6(6) . .
O1 N1 O2 Tb1 -10.1(7) . .
O5 Tb1 O2 N1 120.6(5) 2 .
O5 Tb1 O2 N1 -162.6(6) . .
O4 Tb1 O2 N1 -107.5(5) . .
O4 Tb1 O2 N1 78.9(5) 2 .
O1 Tb1 O2 N1 -113.3(5) 2 .
O1 Tb1 O2 N1 6.0(4) . .
O7 Tb1 O2 N1 -47.0(5) 2 .
O7 Tb1 O2 N1 6.4(6) . .
O2 Tb1 O2 N1 158.3(5) 2 .
N2 Tb1 O2 N1 100.4(5) 2 .
N2 Tb1 O2 N1 -135.2(5) . .
O6 N2 O5 Tb1 -174.4(5) . .
O4 N2 O5 Tb1 1.9(6) . .
O5 Tb1 O5 N2 161.3(5) 2 .
O4 Tb1 O5 N2 -1.2(4) . .
O4 Tb1 O5 N2 177.4(4) 2 .
O1 Tb1 O5 N2 -82.3(4) 2 .
O1 Tb1 O5 N2 72.3(4) . .
O7 Tb1 O5 N2 -12.6(4) 2 .
O7 Tb1 O5 N2 -45.0(8) . .
O2 Tb1 O5 N2 -126.4(4) 2 .
O2 Tb1 O5 N2 82.1(4) . .
N2 Tb1 O5 N2 169.2(3) 2 .
O3 N1 O1 Tb1 -174.5(6) . .
O2 N1 O1 Tb1 10.4(7) . .
O5 Tb1 O1 N1 -68.0(5) 2 .
O5 Tb1 O1 N1 5.7(6) . .
O4 Tb1 O1 N1 54.8(5) . .
O4 Tb1 O1 N1 -118.9(5) 2 .
O1 Tb1 O1 N1 146.5(5) 2 .
O7 Tb1 O1 N1 119.6(5) 2 .
O7 Tb1 O1 N1 174.1(6) . .
O2 Tb1 O1 N1 -113.4(6) 2 .
O2 Tb1 O1 N1 -6.3(4) . .
N2 Tb1 O1 N1 -93.2(5) 2 .
N2 Tb1 O1 N1 31.1(5) . .
