#------------------------------------------------------------------------------
#$Date: 2019-11-08 02:43:23 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224839 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/82/7058283.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_7058283
loop_
_publ_author_name
'Wang, Wen-Min'
'Li, Xian-Zhen'
'Zhang, Li'
'Chen, Jia-Li'
'Wang, Jun-Hua'
'Wu, Zhi-Lei'
'Cui, Jian-Zhong'
_publ_section_title
;
 A series of [2 × 2] square grid LnIII4 clusters: a large
 magnetocaloric effect and single-molecule-magnet behavior
;
_journal_issue                   19
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              7419
_journal_paper_doi               10.1039/C8NJ04454F
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C60 H56 N12 O16 Tb4, 4(C H4 O)'
_chemical_formula_sum            'C64 H72 N12 O20 Tb4'
_chemical_formula_weight         1965.01
_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'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_audit_creation_date             2019-02-24
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-04-08 deposited with the CCDC.    2019-04-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.1814(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   28.3380(9)
_cell_length_b                   8.4206(3)
_cell_length_c                   30.5231(11)
_cell_measurement_reflns_used    9135
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.39
_cell_measurement_theta_min      2.54
_cell_volume                     6836.3(4)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      150.0
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0616
_diffrn_reflns_av_unetI/netI     0.0360
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            50673
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.020
_diffrn_reflns_theta_min         2.423
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.170
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.4992
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1008 before and 0.0612 after correction.
The Ratio of minimum to maximum transmission is 0.6697.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.909
_exptl_crystal_description       block
_exptl_crystal_F_000             3840
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.775
_refine_diff_density_min         -1.195
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         6726
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0289
_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)+(0.0262P)²+28.5118P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0584
_refine_ls_wR_factor_ref         0.0641
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5479
_reflns_number_total             6726
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8nj04454f2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7058283--7058286.cif.'
_cod_database_code               7058283
_shelx_shelxl_version_number     2016/6
_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_max   0.657
_shelx_estimated_absorpt_t_min   0.323
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O1-H1
 0.87 with sigma of 0.01
 O4-H4
 0.87 with sigma of 0.01
 C1-H1
 1.891762 with sigma of 0.02
 Tb1-H1
 3.022987 with sigma of 0.02
 C15-H4
 1.893235 with sigma of 0.02
 Tb2-H4
 3.059012 with sigma of 0.02
3. Rigid bond restraints
 O10, C32
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(C32) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C1(H1A,H1B)
5.b Aromatic/amide H refined with riding coordinates:
 C24(H24), C27(H27), C5(H5), C11(H11), C8(H8), C10(H10), C22(H22), C3(H3),
 C25(H25), C13(H13), C19(H19), C18(H18), C17(H17), C4(H4A), C12(H12), C26(H26)
5.c Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C29(H29A,H29B,H29C), C32(H32A,H32B,
 H32C)
5.d Idealised tetrahedral OH refined as rotating group:
 O10(H10A), O9(H9)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
Tb2 Tb 0.41103(2) 0.74072(2) 0.17714(2) 0.01715(6) Uani 1 1 d D .
Tb1 Tb 0.44937(2) 0.70799(2) 0.31173(2) 0.01788(6) Uani 1 1 d D .
O8 O 0.51483(10) 0.8712(3) 0.31436(10) 0.0201(7) Uani 1 1 d . .
O7 O 0.43328(11) 0.5784(3) 0.24150(10) 0.0193(6) Uani 1 1 d . .
O3 O 0.67386(11) 0.6954(4) 0.33857(11) 0.0242(7) Uani 1 1 d . .
O4 O 0.38690(12) 0.8694(4) 0.09930(11) 0.0285(7) Uani 1 1 d D .
H4 H 0.4052(13) 0.858(4) 0.0815(10) 0.043 Uiso 1 1 d DR .
O1 O 0.37068(12) 0.5737(4) 0.30620(11) 0.0285(7) Uani 1 1 d D .
H1 H 0.3448(8) 0.578(4) 0.2802(8) 0.043 Uiso 1 1 d DR .
C24 C 0.3471(2) 0.8422(7) 0.41847(17) 0.0398(13) Uani 1 1 d . .
H24 H 0.317528 0.905350 0.407353 0.048 Uiso 1 1 calc R .
O6 O 0.45903(12) 0.7508(3) 0.38921(11) 0.0258(7) Uani 1 1 d . .
N2 N 0.58779(14) 0.4286(4) 0.39768(13) 0.0233(8) Uani 1 1 d . .
O10 O 0.54708(15) 0.8601(6) 0.44132(13) 0.0590(12) Uani 1 1 d . U
H10A H 0.521411 0.810957 0.424560 0.089 Uiso 1 1 calc GR .
C7 C 0.54224(16) 0.4677(5) 0.37192(15) 0.0184(9) Uani 1 1 d . .
O9 O 0.29690(13) 0.5916(5) 0.22887(13) 0.0436(10) Uani 1 1 d . .
H9 H 0.304436 0.620918 0.205814 0.065 Uiso 1 1 calc GR .
N6 N 0.38681(14) 0.9209(4) 0.31896(13) 0.0234(8) Uani 1 1 d . .
C21 C 0.37682(16) 0.9829(5) 0.24592(16) 0.0200(9) Uani 1 1 d . .
C6 C 0.49993(17) 0.3801(5) 0.37947(15) 0.0216(10) Uani 1 1 d . .
C28 C 0.42542(19) 0.7503(5) 0.41031(16) 0.0282(11) Uani 1 1 d . .
C27 C 0.4343(2) 0.6624(6) 0.45174(17) 0.0382(13) Uani 1 1 d . .
H27 H 0.464084 0.600589 0.463751 0.046 Uiso 1 1 calc R .
C5 C 0.50649(19) 0.2548(5) 0.41010(17) 0.0277(11) Uani 1 1 d . .
H5 H 0.539171 0.215736 0.427034 0.033 Uiso 1 1 calc R .
C11 C 0.79419(19) 0.7013(6) 0.46292(18) 0.0368(12) Uani 1 1 d . .
H11 H 0.822011 0.702329 0.491346 0.044 Uiso 1 1 calc R .
C8 C 0.66654(17) 0.5217(5) 0.41834(16) 0.0256(10) Uani 1 1 d . .
H8 H 0.670918 0.452223 0.443975 0.031 Uiso 1 1 calc R .
N3 N 0.62220(13) 0.5280(4) 0.38689(13) 0.0214(8) Uani 1 1 d . .
C10 C 0.75225(17) 0.6109(6) 0.45879(17) 0.0301(11) Uani 1 1 d . .
H10 H 0.752071 0.546986 0.484386 0.036 Uiso 1 1 calc R .
N4 N 0.36473(13) 1.0111(4) 0.16510(13) 0.0217(8) Uani 1 1 d . .
N5 N 0.36320(14) 1.0210(4) 0.28094(13) 0.0244(9) Uani 1 1 d . .
C20 C 0.35289(16) 1.0688(5) 0.20130(16) 0.0212(10) Uani 1 1 d . .
C22 C 0.36534(18) 0.9279(6) 0.35032(17) 0.0293(11) Uani 1 1 d . .
H22 H 0.337700 0.998492 0.344606 0.035 Uiso 1 1 calc R .
C16 C 0.34165(17) 1.0719(5) 0.12277(16) 0.0248(10) Uani 1 1 d . .
C14 C 0.71167(16) 0.6980(5) 0.37868(16) 0.0237(10) Uani 1 1 d . .
C23 C 0.38007(18) 0.8370(6) 0.39326(16) 0.0267(10) Uani 1 1 d . .
C3 C 0.41787(19) 0.2492(5) 0.39137(17) 0.0290(11) Uani 1 1 d . .
H3 H 0.388599 0.208425 0.395820 0.035 Uiso 1 1 calc R .
N1 N 0.45424(13) 0.4378(4) 0.35409(12) 0.0203(8) Uani 1 1 d . .
O2 O 0.52966(11) 0.5806(3) 0.34110(11) 0.0217(7) Uani 1 1 d . .
C15 C 0.35708(19) 1.0072(6) 0.08408(16) 0.0312(11) Uani 1 1 d D .
H15A H 0.326800 0.980705 0.056995 0.037 Uiso 1 1 calc R .
H15B H 0.376466 1.088547 0.074079 0.037 Uiso 1 1 calc R .
C2 C 0.41428(17) 0.3725(5) 0.36030(16) 0.0245(10) Uani 1 1 d . .
C25 C 0.3570(2) 0.7561(8) 0.4595(2) 0.0499(16) Uani 1 1 d . .
H25 H 0.334520 0.759952 0.476445 0.060 Uiso 1 1 calc R .
C13 C 0.75480(18) 0.7871(6) 0.38363(18) 0.0290(11) Uani 1 1 d . .
H13 H 0.756571 0.847245 0.357910 0.035 Uiso 1 1 calc R .
C9 C 0.71011(16) 0.6107(5) 0.41807(16) 0.0242(10) Uani 1 1 d . .
C19 C 0.31851(17) 1.1919(6) 0.19545(17) 0.0295(11) Uani 1 1 d . .
H19 H 0.311512 1.232957 0.221541 0.035 Uiso 1 1 calc R .
C18 C 0.29490(19) 1.2532(6) 0.15195(19) 0.0349(12) Uani 1 1 d . .
H18 H 0.271493 1.337740 0.147454 0.042 Uiso 1 1 calc R .
O5 O 0.40804(11) 0.8703(3) 0.24520(10) 0.0205(6) Uani 1 1 d . .
C17 C 0.30551(18) 1.1908(5) 0.11469(17) 0.0295(11) Uani 1 1 d . .
H17 H 0.288412 1.228260 0.083926 0.035 Uiso 1 1 calc R .
C4 C 0.4643(2) 0.1871(6) 0.41561(18) 0.0341(12) Uani 1 1 d . .
H4A H 0.467478 0.098925 0.435858 0.041 Uiso 1 1 calc R .
C1 C 0.36417(17) 0.4394(6) 0.33141(17) 0.0310(11) Uani 1 1 d D .
H1A H 0.344470 0.357549 0.309363 0.037 Uiso 1 1 calc R .
H1B H 0.345253 0.470184 0.351957 0.037 Uiso 1 1 calc R .
C12 C 0.79522(18) 0.7895(6) 0.42551(19) 0.0344(12) Uani 1 1 d . .
H12 H 0.823824 0.852887 0.428212 0.041 Uiso 1 1 calc R .
C26 C 0.3999(2) 0.6652(7) 0.47531(19) 0.0496(16) Uani 1 1 d . .
H26 H 0.406280 0.603238 0.502755 0.060 Uiso 1 1 calc R .
C30 C 0.51060(19) 1.0383(5) 0.3127(2) 0.0377(13) Uani 1 1 d . .
H30A H 0.532574 1.083318 0.342295 0.057 Uiso 1 1 calc GR .
H30B H 0.475691 1.068535 0.307484 0.057 Uiso 1 1 calc GR .
H30C H 0.520597 1.078988 0.287092 0.057 Uiso 1 1 calc GR .
C31 C 0.2646(2) 0.7066(9) 0.2382(2) 0.066(2) Uani 1 1 d . .
H31A H 0.229687 0.683792 0.219076 0.099 Uiso 1 1 calc GR .
H31B H 0.273769 0.812810 0.230645 0.099 Uiso 1 1 calc GR .
H31C H 0.268334 0.702374 0.271310 0.099 Uiso 1 1 calc GR .
C29 C 0.4324(2) 0.4115(6) 0.23745(18) 0.0405(14) Uani 1 1 d . .
H29A H 0.406341 0.368147 0.248357 0.061 Uiso 1 1 calc GR .
H29B H 0.465227 0.368351 0.256457 0.061 Uiso 1 1 calc GR .
H29C H 0.425122 0.381974 0.204709 0.061 Uiso 1 1 calc GR .
C32 C 0.5633(3) 0.7973(15) 0.4831(3) 0.148(5) Uani 1 1 d . U
H32A H 0.576371 0.690554 0.481507 0.221 Uiso 1 1 calc GR .
H32B H 0.535540 0.790706 0.495253 0.221 Uiso 1 1 calc GR .
H32C H 0.590156 0.863697 0.503896 0.221 Uiso 1 1 calc GR .
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
O8 Tb2 O3 160.56(10) 2_655 2_655
O8 Tb2 O4 80.75(11) 2_655 .
O8 Tb2 N3 119.80(10) 2_655 2_655
O8 Tb2 N4 89.69(10) 2_655 .
O8 Tb2 O2 66.68(9) 2_655 2_655
O8 Tb2 O5 89.36(10) 2_655 .
O7 Tb2 O8 102.52(10) . 2_655
O7 Tb2 O3 92.18(10) . 2_655
O7 Tb2 O4 169.19(10) . .
O7 Tb2 N3 98.96(11) . 2_655
O7 Tb2 N4 128.38(10) . .
O7 Tb2 O2 81.63(10) . 2_655
O7 Tb2 O5 66.84(10) . .
O3 Tb2 O4 87.15(11) 2_655 .
O3 Tb2 N3 69.33(11) 2_655 2_655
O3 Tb2 N4 71.11(11) 2_655 .
O3 Tb2 O2 128.95(10) 2_655 2_655
O3 Tb2 O5 84.76(10) 2_655 .
O4 Tb2 N3 70.71(11) . 2_655
O4 Tb2 N4 61.44(11) . .
N3 Tb2 N4 117.94(11) 2_655 .
O2 Tb2 O4 90.40(10) 2_655 .
O2 Tb2 N3 61.90(10) 2_655 2_655
O2 Tb2 N4 146.49(11) 2_655 .
O2 Tb2 O5 135.28(10) 2_655 .
O5 Tb2 O4 123.77(10) . .
O5 Tb2 N3 150.32(10) . 2_655
O5 Tb2 N4 63.31(11) . .
O8 Tb1 Tb2 32.90(7) . 2_655
O8 Tb1 O7 102.39(10) . .
O8 Tb1 O1 170.39(10) . .
O8 Tb1 O6 93.56(10) . .
O8 Tb1 N6 98.75(11) . .
O8 Tb1 N1 127.28(11) . .
O8 Tb1 O2 66.51(10) . .
O8 Tb1 O5 80.81(10) . .
O7 Tb1 Tb2 89.06(7) . 2_655
O7 Tb1 O1 80.47(10) . .
O7 Tb1 O6 160.00(10) . .
O7 Tb1 N6 119.09(11) . .
O7 Tb1 N1 90.45(10) . .
O7 Tb1 O2 89.64(10) . .
O7 Tb1 O5 66.37(10) . .
O1 Tb1 Tb2 156.65(8) . 2_655
O1 Tb1 N6 72.03(11) . .
O1 Tb1 N1 61.41(11) . .
O6 Tb1 Tb2 98.20(8) . 2_655
O6 Tb1 O1 85.77(11) . .
O6 Tb1 N6 69.34(11) . .
O6 Tb1 N1 70.15(11) . .
O6 Tb1 O2 85.71(11) . .
O6 Tb1 O5 129.01(10) . .
N6 Tb1 Tb2 130.93(8) . 2_655
N6 Tb1 N1 119.06(11) . .
N1 Tb1 Tb2 98.16(8) . 2_655
O2 Tb1 Tb2 35.53(6) . 2_655
O2 Tb1 O1 122.92(10) . .
O2 Tb1 N6 150.58(11) . .
O2 Tb1 N1 62.63(10) . .
O5 Tb1 Tb2 102.74(7) . 2_655
O5 Tb1 O1 92.15(10) . .
O5 Tb1 N6 61.75(10) . .
O5 Tb1 N1 148.16(11) . .
O5 Tb1 O2 134.27(10) . .
Tb1 O8 Tb2 114.48(11) . 2_655
C30 O8 Tb2 122.8(3) . 2_655
C30 O8 Tb1 122.7(3) . .
Tb2 O7 Tb1 114.94(11) . .
C29 O7 Tb2 121.8(3) . .
C29 O7 Tb1 123.0(3) . .
C14 O3 Tb2 129.9(3) . 2_655
C15 O4 Tb2 127.4(3) . .
C1 O1 Tb1 128.1(3) . .
C25 C24 C23 120.8(6) . .
C28 O6 Tb1 130.3(3) . .
C7 N2 N3 109.3(3) . .
N2 C7 C6 117.6(4) . .
O2 C7 N2 126.2(4) . .
O2 C7 C6 116.1(4) . .
N5 N6 Tb1 119.4(2) . .
C22 N6 Tb1 127.1(3) . .
C22 N6 N5 111.8(4) . .
N5 C21 C20 117.7(4) . .
N5 C21 O5 126.3(4) . .
O5 C21 C20 116.0(4) . .
C5 C6 C7 123.8(4) . .
N1 C6 C7 113.4(4) . .
N1 C6 C5 122.9(4) . .
O6 C28 C27 120.2(5) . .
O6 C28 C23 122.4(4) . .
C27 C28 C23 117.4(4) . .
C26 C27 C28 120.8(6) . .
C6 C5 C4 118.5(5) . .
C12 C11 C10 119.2(5) . .
N3 C8 C9 126.0(4) . .
N2 N3 Tb2 119.3(3) . 2_655
C8 N3 Tb2 126.8(3) . 2_655
C8 N3 N2 112.1(4) . .
C11 C10 C9 121.8(5) . .
C20 N4 Tb2 117.2(3) . .
C16 N4 Tb2 122.0(3) . .
C16 N4 C20 118.5(4) . .
C21 N5 N6 109.9(3) . .
N4 C20 C21 114.3(4) . .
N4 C20 C19 121.6(4) . .
C19 C20 C21 124.0(4) . .
N6 C22 C23 125.4(4) . .
N4 C16 C15 116.5(4) . .
N4 C16 C17 122.2(4) . .
C17 C16 C15 121.3(4) . .
O3 C14 C13 120.6(4) . .
O3 C14 C9 121.6(4) . .
C13 C14 C9 117.8(4) . .
C24 C23 C28 120.6(5) . .
C24 C23 C22 116.2(5) . .
C28 C23 C22 123.2(4) . .
C4 C3 C2 119.1(4) . .
C6 N1 Tb1 118.5(3) . .
C2 N1 Tb1 122.1(3) . .
C2 N1 C6 117.7(4) . .
Tb2 O2 Tb1 108.49(11) 2_655 .
C7 O2 Tb2 123.2(3) . 2_655
C7 O2 Tb1 126.0(3) . .
O4 C15 C16 110.1(4) . .
C3 C2 C1 121.0(4) . .
N1 C2 C3 122.8(4) . .
N1 C2 C1 116.1(4) . .
C26 C25 C24 119.1(5) . .
C12 C13 C14 121.3(5) . .
C10 C9 C8 117.7(4) . .
C10 C9 C14 119.0(4) . .
C14 C9 C8 123.2(4) . .
C18 C19 C20 119.6(4) . .
C19 C18 C17 119.0(4) . .
Tb2 O5 Tb1 109.01(11) . .
C21 O5 Tb2 125.4(3) . .
C21 O5 Tb1 122.6(3) . .
C18 C17 C16 119.0(5) . .
C3 C4 C5 119.0(4) . .
O1 C1 C2 110.2(4) . .
C11 C12 C13 120.7(5) . .
C25 C26 C27 121.2(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb2 O8 2.305(3) 2_655
Tb2 O7 2.296(3) .
Tb2 O3 2.317(3) 2_655
Tb2 O4 2.483(3) .
Tb2 N3 2.578(4) 2_655
Tb2 N4 2.590(3) .
Tb2 O2 2.366(3) 2_655
Tb2 O5 2.374(3) .
Tb1 O8 2.287(3) .
Tb1 O7 2.306(3) .
Tb1 O1 2.454(3) .
Tb1 O6 2.313(3) .
Tb1 N6 2.584(4) .
Tb1 N1 2.597(3) .
Tb1 O2 2.392(3) .
Tb1 O5 2.392(3) .
O8 C30 1.412(5) .
O7 C29 1.411(5) .
O3 C14 1.320(5) .
O4 C15 1.417(5) .
O1 C1 1.415(5) .
C24 C23 1.402(6) .
C24 C25 1.390(8) .
O6 C28 1.321(5) .
N2 C7 1.301(5) .
N2 N3 1.408(5) .
O10 C32 1.309(9) .
C7 C6 1.492(6) .
C7 O2 1.297(5) .
O9 C31 1.426(7) .
N6 N5 1.403(5) .
N6 C22 1.301(5) .
C21 N5 1.296(5) .
C21 C20 1.483(6) .
C21 O5 1.303(5) .
C6 C5 1.380(6) .
C6 N1 1.349(6) .
C28 C27 1.410(7) .
C28 C23 1.412(7) .
C27 C26 1.398(7) .
C5 C4 1.386(7) .
C11 C10 1.380(7) .
C11 C12 1.371(7) .
C8 N3 1.293(6) .
C8 C9 1.447(6) .
C10 C9 1.395(6) .
N4 C20 1.351(5) .
N4 C16 1.333(6) .
C20 C19 1.391(6) .
C22 C23 1.450(7) .
C16 C15 1.496(6) .
C16 C17 1.392(6) .
C14 C13 1.397(6) .
C14 C9 1.423(6) .
C3 C2 1.385(6) .
C3 C4 1.371(7) .
N1 C2 1.330(5) .
C2 C1 1.499(6) .
C25 C26 1.375(9) .
C13 C12 1.391(7) .
C19 C18 1.366(7) .
C18 C17 1.377(7) .
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
Tb2 O3 C14 C13 -128.9(4) 2_655 .
Tb2 O3 C14 C9 51.3(5) 2_655 .
Tb2 O4 C15 C16 1.1(6) . .
Tb2 N4 C20 C21 11.1(5) . .
Tb2 N4 C20 C19 -165.0(3) . .
Tb2 N4 C16 C15 -19.3(5) . .
Tb2 N4 C16 C17 161.6(3) . .
Tb1 O1 C1 C2 -6.3(6) . .
Tb1 O6 C28 C27 130.8(4) . .
Tb1 O6 C28 C23 -49.9(6) . .
Tb1 N6 N5 C21 2.1(5) . .
Tb1 N6 C22 C23 13.9(7) . .
Tb1 N1 C2 C3 -165.0(3) . .
Tb1 N1 C2 C1 15.2(5) . .
O3 C14 C13 C12 -179.2(4) . .
O3 C14 C9 C8 -4.0(7) . .
O3 C14 C9 C10 176.5(4) . .
C24 C25 C26 C27 2.2(9) . .
O6 C28 C27 C26 177.7(4) . .
O6 C28 C23 C24 -175.5(4) . .
O6 C28 C23 C22 2.8(7) . .
N2 C7 C6 C5 -3.9(6) . .
N2 C7 C6 N1 174.7(4) . .
N2 C7 O2 Tb2 1.8(6) . 2_655
N2 C7 O2 Tb1 -159.1(3) . .
C7 N2 N3 Tb2 -1.2(4) . 2_655
C7 N2 N3 C8 164.4(4) . .
C7 C6 C5 C4 177.3(4) . .
C7 C6 N1 Tb1 -11.1(5) . .
C7 C6 N1 C2 -176.6(4) . .
N6 C22 C23 C24 -169.8(5) . .
N6 C22 C23 C28 11.8(7) . .
C21 C20 C19 C18 -173.7(4) . .
C6 C7 O2 Tb2 179.2(3) . 2_655
C6 C7 O2 Tb1 18.2(5) . .
C6 C5 C4 C3 -1.5(7) . .
C6 N1 C2 C3 0.0(6) . .
C6 N1 C2 C1 -179.8(4) . .
C28 C27 C26 C25 -1.5(8) . .
C27 C28 C23 C24 3.8(7) . .
C27 C28 C23 C22 -177.9(4) . .
C5 C6 N1 Tb1 167.4(3) . .
C5 C6 N1 C2 2.0(6) . .
C11 C10 C9 C8 -175.3(4) . .
C11 C10 C9 C14 4.1(7) . .
N3 N2 C7 C6 -177.6(3) . .
N3 N2 C7 O2 -0.3(6) . .
N3 C8 C9 C10 168.5(4) . .
N3 C8 C9 C14 -10.9(7) . .
C10 C11 C12 C13 -0.7(8) . .
N4 C20 C19 C18 2.0(7) . .
N4 C16 C15 O4 11.6(6) . .
N4 C16 C17 C18 3.2(7) . .
N5 N6 C22 C23 178.8(4) . .
N5 C21 C20 N4 -173.1(4) . .
N5 C21 C20 C19 2.9(6) . .
N5 C21 O5 Tb2 156.7(3) . .
N5 C21 O5 Tb1 -1.3(6) . .
C20 C21 N5 N6 175.8(4) . .
C20 C21 O5 Tb2 -19.8(5) . .
C20 C21 O5 Tb1 -177.8(3) . .
C20 N4 C16 C15 178.4(4) . .
C20 N4 C16 C17 -0.8(6) . .
C20 C19 C18 C17 0.4(7) . .
C22 N6 N5 C21 -164.2(4) . .
C16 N4 C20 C21 174.3(4) . .
C16 N4 C20 C19 -1.8(6) . .
C14 C13 C12 C11 1.4(7) . .
C23 C24 C25 C26 0.1(9) . .
C23 C28 C27 C26 -1.6(7) . .
C3 C2 C1 O1 174.0(4) . .
N1 C6 C5 C4 -1.2(7) . .
N1 C2 C1 O1 -6.2(6) . .
O2 C7 C6 C5 178.5(4) . .
O2 C7 C6 N1 -2.9(5) . .
C15 C16 C17 C18 -176.0(5) . .
C2 C3 C4 C5 3.3(7) . .
C25 C24 C23 C28 -3.2(8) . .
C25 C24 C23 C22 178.4(5) . .
C13 C14 C9 C8 176.2(4) . .
C13 C14 C9 C10 -3.3(6) . .
C9 C8 N3 Tb2 -14.8(6) . 2_655
C9 C8 N3 N2 -179.1(4) . .
C9 C14 C13 C12 0.6(7) . .
C19 C18 C17 C16 -2.9(7) . .
O5 C21 N5 N6 -0.6(6) . .
O5 C21 C20 N4 3.8(5) . .
O5 C21 C20 C19 179.8(4) . .
C17 C16 C15 O4 -169.2(4) . .
C4 C3 C2 N1 -2.6(7) . .
C4 C3 C2 C1 177.2(5) . .
C12 C11 C10 C9 -2.1(8) . .
