#------------------------------------------------------------------------------
#$Date: 2021-07-08 12:34:48 +0300 (Thu, 08 Jul 2021) $
#$Revision: 267396 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/40/1564061.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_1564061
loop_
_publ_author_name
'Hu, Peng'
'Wu, Yan-Ni'
'Zhao, Yan-Hua'
'Cao, Jiang-Fei'
'Lai, Jia-Long'
'Ma, Dan-Yu'
'Zhu, Li-Li'
'Xiao, Feng-Ping'
_publ_section_title
;
 Structure changes from radical-3d ring dimer to radical-3d-4f 1D chain
 with different magnetic properties
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119867
_journal_paper_doi               10.1016/j.ica.2020.119867
_journal_volume                  512
_journal_year                    2020
_chemical_formula_sum            'C51 H41 Cu F30 N6 O16 Tb'
_chemical_formula_weight         1786.36
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 108.812(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.634(4)
_cell_length_b                   10.4037(16)
_cell_length_c                   22.235(3)
_cell_measurement_reflns_used    11557
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      1.7
_cell_volume                     6707.9(16)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  CCD
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_unetI/netI     0.0397
_diffrn_reflns_Laue_measured_fraction_full 0.950
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            21975
_diffrn_reflns_point_group_measured_fraction_full 0.950
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.013
_diffrn_reflns_theta_min         1.404
_exptl_absorpt_coefficient_mu    1.513
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.769
_exptl_crystal_description       block
_exptl_crystal_F_000             3524
_refine_diff_density_max         1.599
_refine_diff_density_min         -2.811
_refine_diff_density_rms         0.175
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     481
_refine_ls_number_reflns         5779
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0728
_refine_ls_R_factor_gt           0.0691
_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)+(0.1000P)²+220.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2026
_refine_ls_wR_factor_ref         0.2074
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5464
_reflns_number_total             5779
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            tbcu.cif
_cod_data_source_block           tbcu
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1564061
_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.
;
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_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_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 0.0000 0.01035(5) 0.2500 0.0233(2) Uani 1 2 d S T P . .
Cu1 Cu 0.2500 -0.2500 0.5000 0.0257(3) Uani 1 2 d S . P . .
F12 F 0.1405(3) -0.2804(8) 0.2825(5) 0.082(3) Uani 1 1 d . . . . .
F8 F 0.0219(3) -0.1007(7) 0.4735(3) 0.078(2) Uani 1 1 d . . . . .
F11 F 0.0855(3) -0.3827(13) 0.2264(6) 0.150(6) Uani 1 1 d . . . . .
F15 F 0.0614(3) 0.4159(7) 0.3948(4) 0.072(2) Uani 1 1 d . . . . .
F14 F -0.0035(4) 0.5081(7) 0.3545(4) 0.095(3) Uani 1 1 d . . . . .
F6 F 0.3185(4) 0.1867(9) 0.6225(5) 0.108(4) Uani 1 1 d . . . . .
F1 F 0.3808(4) -0.0076(16) 0.4537(6) 0.152(7) Uani 1 1 d . . . . .
F10 F 0.1148(5) -0.4351(11) 0.3209(8) 0.164(7) Uani 1 1 d . . . . .
F2 F 0.3305(5) 0.1385(8) 0.4179(6) 0.116(4) Uani 1 1 d . . . . .
F3 F 0.3250(3) -0.0338(9) 0.3689(4) 0.080(2) Uani 1 1 d . . . . .
F7 F 0.0619(6) -0.2671(14) 0.4823(6) 0.170(7) Uani 1 1 d . . . . .
F4 F 0.2910(3) 0.0511(9) 0.6685(4) 0.081(2) Uani 1 1 d . . . . .
F13 F 0.0019(3) 0.3366(7) 0.4099(4) 0.071(2) Uani 1 1 d . . . . .
F5 F 0.2443(4) 0.1528(12) 0.5938(6) 0.122(4) Uani 1 1 d . . . . .
F9 F -0.0088(5) -0.2692(10) 0.4321(5) 0.120(5) Uani 1 1 d . . . . .
O3 O 0.1158(3) 0.0495(8) 0.5012(3) 0.0482(18) Uani 1 1 d . . . . .
O5 O 0.07436(18) 0.0936(6) 0.2671(3) 0.0286(13) Uani 1 1 d . . . . .
O7 O 0.0176(2) -0.0733(6) 0.3527(3) 0.0361(14) Uani 1 1 d . . . . .
O6 O 0.0108(2) 0.1930(6) 0.3172(3) 0.0307(13) Uani 1 1 d . . . . .
O2 O 0.2954(2) -0.1543(6) 0.4546(3) 0.0442(17) Uani 1 1 d . . . . .
O8 O 0.0510(2) -0.1644(6) 0.2576(3) 0.0376(15) Uani 1 1 d . . . . .
O1 O 0.2718(2) -0.1086(7) 0.5711(3) 0.0435(16) Uani 1 1 d . . . . .
O4 O 0.2287(3) 0.0136(10) 0.3048(4) 0.068(3) Uani 1 1 d . . . . .
N1 N 0.1133(2) 0.0753(7) 0.2572(3) 0.0274(15) Uani 1 1 d . . . . .
N2 N 0.1867(3) 0.0397(10) 0.2758(4) 0.043(2) Uani 1 1 d . . . . .
N3 N 0.1974(2) -0.1324(7) 0.4547(3) 0.0264(15) Uani 1 1 d . . . . .
C7 C 0.1719(3) -0.0825(9) 0.4879(4) 0.0312(19) Uani 1 1 d . . . . .
H7 H 0.1768 -0.1108 0.5292 0.037 Uiso 1 1 calc R U . . .
C10 C 0.1577(3) -0.0032(8) 0.3674(4) 0.0299(18) Uani 1 1 d . . . . .
C12 C 0.1520(3) 0.0335(8) 0.3008(4) 0.0255(17) Uani 1 1 d . . . . .
C11 C 0.1906(3) -0.0937(8) 0.3957(4) 0.0288(18) Uani 1 1 d . . . . .
H11 H 0.2085 -0.1284 0.3730 0.035 Uiso 1 1 calc R U . . .
C9 C 0.1306(3) 0.0517(8) 0.4000(4) 0.0289(18) Uani 1 1 d . . . . .
H9 H 0.1083 0.1131 0.3811 0.035 Uiso 1 1 calc R U . . .
C14 C 0.1212(3) 0.1215(10) 0.1975(4) 0.037(2) Uani 1 1 d . . . . .
C25 C 0.0385(3) -0.1718(9) 0.3821(5) 0.039(2) Uani 1 1 d . . . . .
C22 C 0.1027(3) -0.3370(9) 0.2825(6) 0.046(3) Uani 1 1 d . . . . .
C2 C 0.2879(4) -0.0013(10) 0.5631(6) 0.049(3) Uani 1 1 d . . . . .
C17 C 0.1694(3) 0.0632(11) 0.2060(4) 0.038(2) Uani 1 1 d . . . . .
C3 C 0.3067(4) 0.0342(10) 0.5179(6) 0.051(3) Uani 1 1 d . . . . .
H3 H 0.3186 0.1171 0.5206 0.061 Uiso 1 1 calc R U . . .
C23 C 0.0712(3) -0.2439(8) 0.3014(5) 0.041(2) Uani 1 1 d . . . . .
C20 C 0.0083(3) 0.3113(9) 0.3061(5) 0.036(2) Uani 1 1 d . . . . .
C6 C 0.0832(4) 0.1517(11) 0.4787(5) 0.050(3) Uani 1 1 d . . . . .
H6A H 0.0609 0.1272 0.4390 0.075 Uiso 1 1 calc R U . . .
H6B H 0.0991 0.2277 0.4726 0.075 Uiso 1 1 calc R U . . .
H6C H 0.0679 0.1687 0.5093 0.075 Uiso 1 1 calc R U . . .
C1 C 0.2854(6) 0.0984(13) 0.6119(7) 0.069(4) Uani 1 1 d . . . . .
C4 C 0.3098(4) -0.0430(10) 0.4676(6) 0.044(2) Uani 1 1 d . . . . .
C15 C 0.0822(4) 0.0715(15) 0.1411(5) 0.058(3) Uani 1 1 d . . . . .
H15A H 0.0756 -0.0160 0.1487 0.088 Uiso 1 1 calc R U . . .
H15B H 0.0912 0.0758 0.1036 0.088 Uiso 1 1 calc R U . . .
H15C H 0.0552 0.1232 0.1353 0.088 Uiso 1 1 calc R U . . .
C21 C 0.0167(4) 0.3938(10) 0.3670(6) 0.051(3) Uani 1 1 d . . . . .
C18 C 0.1684(5) -0.0668(14) 0.1740(6) 0.061(3) Uani 1 1 d . . . . .
H18A H 0.1994 -0.0967 0.1818 0.092 Uiso 1 1 calc R U . . .
H18B H 0.1534 -0.0582 0.1291 0.092 Uiso 1 1 calc R U . . .
H18C H 0.1518 -0.1274 0.1910 0.092 Uiso 1 1 calc R U . . .
C13 C 0.1187(4) 0.2683(11) 0.2007(6) 0.050(3) Uani 1 1 d . . . . .
H13A H 0.0877 0.2940 0.1957 0.075 Uiso 1 1 calc R U . . .
H13B H 0.1282 0.3054 0.1674 0.075 Uiso 1 1 calc R U . . .
H13C H 0.1388 0.2976 0.2411 0.075 Uiso 1 1 calc R U . . .
C26 C 0.0300(6) -0.2010(11) 0.4436(6) 0.062(3) Uani 1 1 d . . . . .
C24 C 0.0654(4) -0.2547(10) 0.3597(5) 0.046(2) Uani 1 1 d . . . . .
H24 H 0.0803 -0.3218 0.3859 0.055 Uiso 1 1 calc R U . . .
C8 C 0.1382(3) 0.0110(9) 0.4621(4) 0.0338(19) Uani 1 1 d . . . . .
C19 C 0.0000 0.3746(13) 0.2500 0.047(4) Uani 1 2 d S T P . .
H19 H 0.0000 0.4640 0.2500 0.056 Uiso 1 2 calc R U P . .
C5 C 0.3360(5) 0.0138(12) 0.4271(7) 0.060(3) Uani 1 1 d . . . . .
C16 C 0.2023(4) 0.1576(14) 0.1883(6) 0.060(3) Uani 1 1 d . . . . .
H16A H 0.2081 0.2302 0.2165 0.090 Uiso 1 1 calc R U . . .
H16B H 0.1884 0.1864 0.1454 0.090 Uiso 1 1 calc R U . . .
H16C H 0.2309 0.1149 0.1922 0.090 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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
O7 Tb1 O7 136.3(3) 2 .
O7 Tb1 O5 94.2(2) 2 2
O7 Tb1 O5 101.6(2) . 2
O7 Tb1 O5 101.6(2) 2 .
O7 Tb1 O5 94.2(2) . .
O5 Tb1 O5 136.7(3) 2 .
O7 Tb1 O8 73.9(2) 2 .
O7 Tb1 O8 72.9(2) . .
O5 Tb1 O8 151.4(2) 2 .
O5 Tb1 O8 71.8(2) . .
O7 Tb1 O8 72.9(2) 2 2
O7 Tb1 O8 73.9(2) . 2
O5 Tb1 O8 71.8(2) 2 2
O5 Tb1 O8 151.4(2) . 2
O8 Tb1 O8 79.7(3) . 2
O7 Tb1 O6 148.7(2) 2 .
O7 Tb1 O6 75.1(2) . .
O5 Tb1 O6 74.8(2) 2 .
O5 Tb1 O6 70.9(2) . .
O8 Tb1 O6 128.0(2) . .
O8 Tb1 O6 127.9(2) 2 .
O7 Tb1 O6 75.1(2) 2 2
O7 Tb1 O6 148.7(2) . 2
O5 Tb1 O6 70.9(2) 2 2
O5 Tb1 O6 74.8(2) . 2
O8 Tb1 O6 127.9(2) . 2
O8 Tb1 O6 128.0(2) 2 2
O6 Tb1 O6 73.6(3) . 2
N3 Cu1 N3 180.0(4) 7_546 .
N3 Cu1 O1 87.7(3) 7_546 7_546
N3 Cu1 O1 92.3(3) . 7_546
N3 Cu1 O1 92.3(3) 7_546 .
N3 Cu1 O1 87.7(3) . .
O1 Cu1 O1 180.0 7_546 .
N3 Cu1 O2 91.0(3) 7_546 7_546
N3 Cu1 O2 89.0(3) . 7_546
O1 Cu1 O2 86.2(3) 7_546 7_546
O1 Cu1 O2 93.8(3) . 7_546
N3 Cu1 O2 89.0(3) 7_546 .
N3 Cu1 O2 91.0(3) . .
O1 Cu1 O2 93.8(3) 7_546 .
O1 Cu1 O2 86.2(3) . .
O2 Cu1 O2 180.0(3) 7_546 .
C8 O3 C6 116.2(8) . .
N1 O5 Tb1 144.7(5) . .
C25 O7 Tb1 136.2(6) . .
C20 O6 Tb1 132.5(6) . .
C4 O2 Cu1 123.0(7) . .
C23 O8 Tb1 134.3(6) . .
C2 O1 Cu1 124.0(8) . .
O5 N1 C12 125.1(7) . .
O5 N1 C14 121.4(7) . .
C12 N1 C14 112.7(7) . .
O4 N2 C12 125.7(8) . .
O4 N2 C17 121.8(7) . .
C12 N2 C17 112.0(7) . .
C11 N3 C7 119.7(7) . .
C11 N3 Cu1 121.6(6) . .
C7 N3 Cu1 118.3(5) . .
N3 C7 C8 121.9(8) . .
N3 C7 H7 119.1 . .
C8 C7 H7 119.1 . .
C11 C10 C9 121.0(8) . .
C11 C10 C12 117.8(8) . .
C9 C10 C12 121.1(8) . .
N1 C12 N2 108.5(7) . .
N1 C12 C10 126.7(7) . .
N2 C12 C10 124.6(8) . .
N3 C11 C10 121.3(8) . .
N3 C11 H11 119.3 . .
C10 C11 H11 119.3 . .
C10 C9 C8 117.2(8) . .
C10 C9 H9 121.4 . .
C8 C9 H9 121.4 . .
N1 C14 C15 108.3(8) . .
N1 C14 C13 104.7(8) . .
C15 C14 C13 110.0(10) . .
N1 C14 C17 100.7(7) . .
C15 C14 C17 115.5(9) . .
C13 C14 C17 116.3(9) . .
O7 C25 C24 124.9(9) . .
O7 C25 C26 115.1(9) . .
C24 C25 C26 119.9(10) . .
F11 C22 F12 104.8(12) . .
F11 C22 F10 106.8(12) . .
F12 C22 F10 106.8(11) . .
F11 C22 C23 114.2(9) . .
F12 C22 C23 110.8(8) . .
F10 C22 C23 112.8(11) . .
O1 C2 C3 128.7(11) . .
O1 C2 C1 113.1(11) . .
C3 C2 C1 118.2(10) . .
N2 C17 C18 106.7(9) . .
N2 C17 C16 109.1(9) . .
C18 C17 C16 111.3(9) . .
N2 C17 C14 101.2(7) . .
C18 C17 C14 114.6(9) . .
C16 C17 C14 113.2(9) . .
C2 C3 C4 125.9(10) . .
C2 C3 H3 117.1 . .
C4 C3 H3 117.1 . .
O8 C23 C24 126.7(9) . .
O8 C23 C22 113.3(9) . .
C24 C23 C22 120.0(10) . .
O6 C20 C19 129.6(9) . .
O6 C20 C21 112.9(9) . .
C19 C20 C21 117.5(9) . .
O3 C6 H6A 109.5 . .
O3 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
O3 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
F4 C1 F5 105.8(12) . .
F4 C1 F6 103.4(13) . .
F5 C1 F6 110.8(13) . .
F4 C1 C2 114.1(11) . .
F5 C1 C2 109.7(13) . .
F6 C1 C2 112.7(11) . .
O2 C4 C3 127.6(10) . .
O2 C4 C5 116.4(10) . .
C3 C4 C5 115.9(9) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
F13 C21 F14 108.1(11) . .
F13 C21 F15 106.4(9) . .
F14 C21 F15 106.4(10) . .
F13 C21 C20 112.4(9) . .
F14 C21 C20 112.2(9) . .
F15 C21 C20 111.0(10) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C14 C13 H13A 109.5 . .
C14 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C14 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
F7 C26 F8 108.5(12) . .
F7 C26 F9 106.5(13) . .
F8 C26 F9 102.7(12) . .
F7 C26 C25 113.7(12) . .
F8 C26 C25 114.8(9) . .
F9 C26 C25 109.8(11) . .
C23 C24 C25 124.2(9) . .
C23 C24 H24 117.9 . .
C25 C24 H24 117.9 . .
O3 C8 C9 126.9(8) . .
O3 C8 C7 114.2(8) . .
C9 C8 C7 118.9(8) . .
C20 C19 C20 122.1(12) 2 .
C20 C19 H19 119.0 2 .
C20 C19 H19 119.0 . .
F2 C5 F3 103.7(12) . .
F2 C5 F1 107.1(13) . .
F3 C5 F1 105.8(11) . .
F2 C5 C4 114.6(10) . .
F3 C5 C4 115.0(11) . .
F1 C5 C4 110.0(11) . .
C17 C16 H16A 109.5 . .
C17 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C17 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
Tb1 O7 2.338(6) 2
Tb1 O7 2.338(6) .
Tb1 O5 2.351(5) 2
Tb1 O5 2.351(5) .
Tb1 O8 2.368(6) .
Tb1 O8 2.368(6) 2
Tb1 O6 2.374(6) .
Tb1 O6 2.374(6) 2
Cu1 N3 2.016(7) 7_546
Cu1 N3 2.016(7) .
Cu1 O1 2.104(7) 7_546
Cu1 O1 2.105(7) .
Cu1 O2 2.202(8) 7_546
Cu1 O2 2.202(8) .
F12 C22 1.299(12) .
F8 C26 1.304(14) .
F11 C22 1.278(15) .
F15 C21 1.328(14) .
F14 C21 1.328(13) .
F6 C1 1.333(16) .
F1 C5 1.327(17) .
F10 C22 1.305(15) .
F2 C5 1.316(15) .
F3 C5 1.325(15) .
F7 C26 1.276(17) .
F4 C1 1.310(17) .
F13 C21 1.323(14) .
F5 C1 1.318(18) .
F9 C26 1.336(18) .
O3 C8 1.330(11) .
O3 C6 1.434(12) .
O5 N1 1.295(9) .
O7 C25 1.272(12) .
O6 C20 1.252(12) .
O2 C4 1.240(12) .
O8 C23 1.277(12) .
O1 C2 1.256(13) .
O4 N2 1.269(11) .
N1 C12 1.339(10) .
N1 C14 1.503(11) .
N2 C12 1.351(11) .
N2 C17 1.490(12) .
N3 C11 1.323(11) .
N3 C7 1.339(11) .
C7 C8 1.401(12) .
C7 H7 0.9300 .
C10 C11 1.375(12) .
C10 C9 1.390(12) .
C10 C12 1.483(11) .
C11 H11 0.9300 .
C9 C8 1.390(13) .
C9 H9 0.9300 .
C14 C15 1.518(14) .
C14 C13 1.532(15) .
C14 C17 1.551(13) .
C25 C24 1.391(15) .
C25 C26 1.504(15) .
C22 C23 1.519(14) .
C2 C3 1.360(17) .
C2 C1 1.521(16) .
C17 C18 1.523(17) .
C17 C16 1.545(15) .
C3 C4 1.405(16) .
C3 H3 0.9300 .
C23 C24 1.368(15) .
C20 C19 1.361(12) .
C20 C21 1.552(14) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C4 C5 1.506(16) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C24 H24 0.9300 .
C19 C20 1.361(12) 2
C19 H19 0.9300 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
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
Tb1 O5 N1 C12 -104.0(10) . . . .
Tb1 O5 N1 C14 86.8(11) . . . .
C11 N3 C7 C8 -0.4(13) . . . .
Cu1 N3 C7 C8 172.7(7) . . . .
O5 N1 C12 N2 -173.3(8) . . . .
C14 N1 C12 N2 -3.2(11) . . . .
O5 N1 C12 C10 1.9(14) . . . .
C14 N1 C12 C10 171.9(8) . . . .
O4 N2 C12 N1 176.3(11) . . . .
C17 N2 C12 N1 -11.9(12) . . . .
O4 N2 C12 C10 1.0(17) . . . .
C17 N2 C12 C10 172.8(9) . . . .
C11 C10 C12 N1 151.4(9) . . . .
C9 C10 C12 N1 -28.4(14) . . . .
C11 C10 C12 N2 -34.2(13) . . . .
C9 C10 C12 N2 146.0(10) . . . .
C7 N3 C11 C10 -0.3(13) . . . .
Cu1 N3 C11 C10 -173.2(6) . . . .
C9 C10 C11 N3 0.5(13) . . . .
C12 C10 C11 N3 -179.2(8) . . . .
C11 C10 C9 C8 -0.1(13) . . . .
C12 C10 C9 C8 179.7(8) . . . .
O5 N1 C14 C15 -52.3(12) . . . .
C12 N1 C14 C15 137.2(9) . . . .
O5 N1 C14 C13 65.0(10) . . . .
C12 N1 C14 C13 -105.4(9) . . . .
O5 N1 C14 C17 -173.9(8) . . . .
C12 N1 C14 C17 15.7(10) . . . .
Tb1 O7 C25 C24 11.5(16) . . . .
Tb1 O7 C25 C26 -164.4(8) . . . .
Cu1 O1 C2 C3 -20.3(16) . . . .
Cu1 O1 C2 C1 160.0(9) . . . .
O4 N2 C17 C18 72.9(13) . . . .
C12 N2 C17 C18 -99.2(10) . . . .
O4 N2 C17 C16 -47.4(14) . . . .
C12 N2 C17 C16 140.5(9) . . . .
O4 N2 C17 C14 -167.0(10) . . . .
C12 N2 C17 C14 20.9(11) . . . .
N1 C14 C17 N2 -20.2(10) . . . .
C15 C14 C17 N2 -136.5(9) . . . .
C13 C14 C17 N2 92.3(10) . . . .
N1 C14 C17 C18 94.2(9) . . . .
C15 C14 C17 C18 -22.1(12) . . . .
C13 C14 C17 C18 -153.3(9) . . . .
N1 C14 C17 C16 -136.7(9) . . . .
C15 C14 C17 C16 106.9(11) . . . .
C13 C14 C17 C16 -24.3(12) . . . .
O1 C2 C3 C4 3(2) . . . .
C1 C2 C3 C4 -176.8(12) . . . .
Tb1 O8 C23 C24 5.4(16) . . . .
Tb1 O8 C23 C22 -177.7(6) . . . .
F11 C22 C23 O8 -43.1(14) . . . .
F12 C22 C23 O8 75.0(12) . . . .
F10 C22 C23 O8 -165.2(12) . . . .
F11 C22 C23 C24 134.1(13) . . . .
F12 C22 C23 C24 -107.8(12) . . . .
F10 C22 C23 C24 11.9(16) . . . .
Tb1 O6 C20 C19 -3.0(14) . . . .
Tb1 O6 C20 C21 177.8(6) . . . .
O1 C2 C1 F4 34.3(17) . . . .
C3 C2 C1 F4 -145.5(12) . . . .
O1 C2 C1 F5 -84.2(14) . . . .
C3 C2 C1 F5 96.0(14) . . . .
O1 C2 C1 F6 151.8(12) . . . .
C3 C2 C1 F6 -28.0(19) . . . .
Cu1 O2 C4 C3 10.4(16) . . . .
Cu1 O2 C4 C5 -173.2(8) . . . .
C2 C3 C4 O2 2(2) . . . .
C2 C3 C4 C5 -174.7(12) . . . .
O6 C20 C21 F13 -32.4(12) . . . .
C19 C20 C21 F13 148.4(8) . . . .
O6 C20 C21 F14 -154.4(10) . . . .
C19 C20 C21 F14 26.3(14) . . . .
O6 C20 C21 F15 86.7(11) . . . .
C19 C20 C21 F15 -92.6(10) . . . .
O7 C25 C26 F7 -156.4(13) . . . .
C24 C25 C26 F7 27.4(18) . . . .
O7 C25 C26 F8 -30.7(17) . . . .
C24 C25 C26 F8 153.1(12) . . . .
O7 C25 C26 F9 84.3(12) . . . .
C24 C25 C26 F9 -91.9(14) . . . .
O8 C23 C24 C25 -5.4(18) . . . .
C22 C23 C24 C25 177.9(10) . . . .
O7 C25 C24 C23 -2.9(17) . . . .
C26 C25 C24 C23 172.9(11) . . . .
C6 O3 C8 C9 -5.8(15) . . . .
C6 O3 C8 C7 175.7(9) . . . .
C10 C9 C8 O3 -179.0(9) . . . .
C10 C9 C8 C7 -0.6(13) . . . .
N3 C7 C8 O3 179.5(8) . . . .
N3 C7 C8 C9 0.9(14) . . . .
O6 C20 C19 C20 1.6(7) . . . 2
C21 C20 C19 C20 -179.3(9) . . . 2
O2 C4 C5 F2 146.8(12) . . . .
C3 C4 C5 F2 -36.3(17) . . . .
O2 C4 C5 F3 26.8(16) . . . .
C3 C4 C5 F3 -156.3(11) . . . .
O2 C4 C5 F1 -92.5(14) . . . .
C3 C4 C5 F1 84.4(15) . . . .
