# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a_sq
_database_code_depnum_ccdc_archive 'CCDC 2076041'
loop_
_audit_author_name
_audit_author_address
'Yuming Zhao '
;College of Science, Northeastern University
China
;
_audit_update_record             
;
2021-04-08 deposited with the CCDC.	2021-10-14 downloaded from the CCDC.
;
_audit_creation_date             2021-01-05
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H39 N4 O19 Tb2'
_chemical_formula_sum            'C36 H39 N4 O19 Tb2'
_chemical_formula_weight         1149.55
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -4.4782 11.8047 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4852(5)
_cell_length_b                   11.1327(5)
_cell_length_c                   12.5441(6)
_cell_angle_alpha                103.880(2)
_cell_angle_beta                 109.922(2)
_cell_angle_gamma                96.693(2)
_cell_volume                     1304.51(11)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9824
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      63.380
_cell_measurement_theta_min      3.417
_shelx_estimated_absorpt_T_max   0.328
_shelx_estimated_absorpt_T_min   0.278
_exptl_absorpt_coefficient_mu    14.322
_exptl_absorpt_correction_T_max  0.7523
_exptl_absorpt_correction_T_min  0.3485
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1264 before and 0.0565 after correction.
The Ratio of minimum to maximum transmission is 0.4632.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             565
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0447
_diffrn_reflns_av_unetI/netI     0.0432
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17647
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         63.412
_diffrn_reflns_theta_min         3.417
_diffrn_ambient_temperature      193.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.1993706
_diffrn_source_voltage           69.71
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5934
_reflns_number_total             6178
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.197
_refine_diff_density_min         -1.731
_refine_diff_density_rms         0.107
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         6178
_refine_ls_number_restraints     38
_refine_ls_R_factor_all          0.0290
_refine_ls_R_factor_gt           0.0278
_refine_ls_restrained_S_all      1.055
_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)+(0.0394P)²+1.3731P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0761
_refine_ls_wR_factor_ref         0.0768
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 Tb1-O7A \\sim Tb1-O7
 with sigma of 0.02
 O7A-C13A \\sim O7-C13
 with sigma of 0.02
 C14A-C15A \\sim C15-C14
 with sigma of 0.04
 N2A-C13A \\sim N2-C13
 with sigma of 0.02
 N2A-C14A \\sim N2-C15
 with sigma of 0.02
 N2A-C15A \\sim N2-C14
 with sigma of 0.02
 C13A-C14A \\sim C13-C15
 with sigma of 0.04
 C13A-C15A \\sim C13-C14
 with sigma of 0.04
 Tb1-C13A \\sim Tb1-C13
 with sigma of 0.04
 O7A-N2A \\sim O7-N2
 with sigma of 0.04
 N2A-C15A \\sim N2A-C14A
 with sigma of 0.02
 N2-C14 \\sim N2-C15
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
O11 \\sim O12: within 2A with sigma of 0.001 and sigma for terminal atoms of
0.002 within 2A
4. Rigid body (RIGU) restrains
 N2, C14, C15, C13, O7
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 Sof(C14)=Sof(H14D)=Sof(H14E)=Sof(H14F)=Sof(C15)=Sof(H15D)=Sof(H15E)=Sof(H15F)=
 Sof(N2)=Sof(C13)=Sof(H13)=Sof(O7)=1-FVAR(1)
 Sof(O7A)=Sof(N2A)=Sof(C13A)=Sof(H13A)=Sof(C14A)=Sof(H14A)=Sof(H14B)=Sof(H14C)=
 Sof(C15A)=Sof(H15A)=Sof(H15B)=Sof(H15C)=FVAR(1)
 Fixed Sof: H4(0.75) H11(0.5) H3(0.75) H7(0.5) O3(0.5) H3A(0.5) O6(0.5)
 H6(0.5) O12(0.25) O11(0.25)
6.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C12(H12), C11(H11), C3(H3), C16(H16), C8(H8), C7(H7), C13A(H13A),
 C13(H13)
6.b Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C17(H17A,H17B,H17C), C14A(H14A,H14B,H14C), C15A(H15A,
 H15B,H15C), C14(H14D,H14E,H14F), C15(H15D,H15E,H15F)
6.c Idealised tetrahedral OH refined as rotating group:
 O3(H3A), O6(H6)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.60092(2) 0.55140(2) 0.68062(2) 0.01546(6) Uani 1 1 d D . . . .
O4 O 0.6549(2) 0.4989(2) 0.5138(2) 0.0239(5) Uani 1 1 d . . . . .
O1 O 0.5628(3) 0.7236(2) 0.6026(2) 0.0264(5) Uani 1 1 d . . . . .
O5 O 0.6259(2) 0.4321(2) 0.3250(2) 0.0265(5) Uani 1 1 d . . . . .
O8 O 0.5775(3) 0.4809(2) 0.8423(2) 0.0310(5) Uani 1 1 d . . . . .
O2 O 0.5054(3) 0.6654(2) 0.4053(2) 0.0268(5) Uani 1 1 d . . . . .
O9 O 0.6772(3) 0.7505(2) 0.8514(2) 0.0298(5) Uani 1 1 d . . . . .
O10 O 0.8237(3) 0.6990(3) 0.7688(3) 0.0436(7) Uani 1 1 d . . . . .
C5 C 0.5301(3) 0.7454(3) 0.5036(3) 0.0212(6) Uani 1 1 d . . . . .
O7A O 0.7731(8) 0.4272(9) 0.7413(12) 0.046(2) Uani 0.612(10) 1 d D . P A 1
C9 C 0.7040(3) 0.4712(3) 0.4341(3) 0.0205(6) Uani 1 1 d . . . . .
C1 C 0.7926(4) 0.7739(3) 0.8430(3) 0.0258(7) Uani 1 1 d . . . . .
C2 C 0.8997(4) 0.8918(3) 0.9240(3) 0.0274(7) Uani 1 1 d . . . . .
C6 C 0.5174(3) 0.8782(3) 0.5034(3) 0.0221(6) Uani 1 1 d . . . . .
C10 C 0.8574(3) 0.4859(3) 0.4685(3) 0.0217(6) Uani 1 1 d . . . . .
C4 C 1.1344(4) 1.0150(3) 1.0011(3) 0.0308(7) Uani 1 1 d . . . . .
H4 H 1.225919 1.024995 1.001724 0.037 Uiso 0.75 1 calc R U P B 2
C12 C 1.0544(3) 0.4616(3) 0.4142(3) 0.0274(7) Uani 1 1 d . . . . .
H12 H 1.091655 0.435065 0.355427 0.033 Uiso 1 1 calc R U . . .
C11 C 0.9113(4) 0.4471(4) 0.3809(3) 0.0281(7) Uani 1 1 d . . . . .
H11 H 0.850890 0.411387 0.299759 0.034 Uiso 0.5 1 calc R U P C 2
C3 C 1.0333(4) 0.9070(4) 0.9252(3) 0.0330(8) Uani 1 1 d . . . . .
H3 H 1.056198 0.843179 0.873809 0.040 Uiso 0.75 1 calc R U P D 2
N1 N 0.4954(4) 0.3246(3) 0.9041(3) 0.0399(8) Uani 1 1 d . . . . .
C16 C 0.4838(4) 0.3949(4) 0.8316(3) 0.0311(7) Uani 1 1 d . . . . .
H16 H 0.397420 0.378320 0.766741 0.037 Uiso 1 1 calc R U . . .
C8 C 0.4967(4) 1.0863(3) 0.5984(3) 0.0278(7) Uani 1 1 d . . . . .
H8 H 0.494177 1.145394 0.665879 0.033 Uiso 1 1 calc R U . . .
N2A N 0.9145(8) 0.3100(8) 0.8108(8) 0.043(2) Uani 0.612(10) 1 d D . P A 1
C7 C 0.5144(4) 0.9656(3) 0.6027(3) 0.0274(7) Uani 1 1 d . . . . .
H7 H 0.524347 0.942518 0.672857 0.033 Uiso 0.5 1 calc R U P E 2
C18 C 0.3808(6) 0.2243(5) 0.8869(5) 0.0623(14) Uani 1 1 d . . . . .
H18A H 0.357136 0.241657 0.957432 0.093 Uiso 1 1 calc R U . . .
H18B H 0.408624 0.142649 0.874451 0.093 Uiso 1 1 calc R U . . .
H18C H 0.299631 0.221209 0.817247 0.093 Uiso 1 1 calc R U . . .
C17 C 0.6228(7) 0.3445(6) 1.0062(5) 0.0731(17) Uani 1 1 d . . . . .
H17A H 0.678927 0.285233 0.985651 0.110 Uiso 1 1 calc R U . . .
H17B H 0.600163 0.329906 1.072369 0.110 Uiso 1 1 calc R U . . .
H17C H 0.675347 0.431679 1.029734 0.110 Uiso 1 1 calc R U . . .
O3 O 0.5309(8) 0.9429(5) 0.7098(5) 0.0450(15) Uani 0.5 1 d . . P F 1
H3A H 0.538565 0.867615 0.704450 0.068 Uiso 0.5 1 calc R U P F 1
O6 O 0.8337(5) 0.3929(7) 0.2675(5) 0.0446(15) Uani 0.5 1 d . . P G 1
H6 H 0.749422 0.382793 0.257883 0.067 Uiso 0.5 1 calc R U P G 1
C13A C 0.7996(7) 0.3490(7) 0.7613(6) 0.0381(18) Uani 0.612(10) 1 d D . P A 1
H13A H 0.719264 0.284452 0.738318 0.046 Uiso 0.612(10) 1 calc R U P A 1
C14A C 1.0473(9) 0.3989(10) 0.8726(11) 0.075(3) Uani 0.612(10) 1 d D . P A 1
H14A H 1.108505 0.378800 0.829792 0.112 Uiso 0.612(10) 1 calc R U P A 1
H14B H 1.089830 0.392835 0.953307 0.112 Uiso 0.612(10) 1 calc R U P A 1
H14C H 1.033541 0.485147 0.876523 0.112 Uiso 0.612(10) 1 calc R U P A 1
O12 O 1.2614(10) 1.0173(9) 1.0015(10) 0.033(2) Uani 0.25 1 d . . P H 1
C15A C 0.9092(12) 0.1760(11) 0.8004(15) 0.092(4) Uani 0.612(10) 1 d D . P A 1
H15A H 0.915865 0.161728 0.876066 0.137 Uiso 0.612(10) 1 calc R U P A 1
H15B H 0.986937 0.150996 0.780681 0.137 Uiso 0.612(10) 1 calc R U P A 1
H15C H 0.821277 0.125260 0.737544 0.137 Uiso 0.612(10) 1 calc R U P A 1
O11 O 1.0774(12) 0.8225(13) 0.8591(13) 0.057(4) Uani 0.25 1 d . . P I 1
C14 C 1.0831(15) 0.3742(17) 0.9305(16) 0.077(5) Uani 0.388(10) 1 d D . P A 2
H14D H 1.089824 0.367671 1.008720 0.115 Uiso 0.388(10) 1 calc R U P A 2
H14E H 1.130031 0.459512 0.939212 0.115 Uiso 0.388(10) 1 calc R U P A 2
H14F H 1.127560 0.311514 0.896013 0.115 Uiso 0.388(10) 1 calc R U P A 2
C15 C 0.8573(18) 0.2223(13) 0.8164(16) 0.070(5) Uani 0.388(10) 1 d D . P A 2
H15D H 0.916623 0.162277 0.805947 0.105 Uiso 0.388(10) 1 calc R U P A 2
H15E H 0.778619 0.206874 0.741104 0.105 Uiso 0.388(10) 1 calc R U P A 2
H15F H 0.822754 0.210990 0.877489 0.105 Uiso 0.388(10) 1 calc R U P A 2
N2 N 0.9371(13) 0.3504(10) 0.8526(9) 0.037(3) Uani 0.388(10) 1 d D . P A 2
C13 C 0.8843(9) 0.4349(9) 0.8016(8) 0.031(2) Uani 0.388(10) 1 d D . P A 2
H13 H 0.961726 0.490259 0.803516 0.037 Uiso 0.388(10) 1 calc R U P A 2
O7 O 0.8012(10) 0.4672(11) 0.7622(15) 0.028(2) Uani 0.388(10) 1 d D . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 O4 2.311(2) . ?
Tb1 O4 2.828(2) 2_666 ?
Tb1 O1 2.368(2) . ?
Tb1 O5 2.385(2) 2_666 ?
Tb1 O8 2.418(2) . ?
Tb1 O2 2.353(2) 2_666 ?
Tb1 O9 2.507(2) . ?
Tb1 O10 2.419(3) . ?
Tb1 O7A 2.429(6) . ?
Tb1 C9 2.977(3) 2_666 ?
Tb1 C1 2.820(3) . ?
Tb1 O7 2.406(9) . ?
O4 C9 1.264(4) . ?
O1 C5 1.262(4) . ?
O5 C9 1.265(4) . ?
O8 C16 1.237(5) . ?
O2 C5 1.258(4) . ?
O9 C1 1.253(4) . ?
O10 C1 1.251(4) . ?
C5 C6 1.500(4) . ?
O7A C13A 1.006(8) . ?
C9 C10 1.493(4) . ?
C1 C2 1.502(5) . ?
C2 C4 1.391(5) 2_777 ?
C2 C3 1.386(5) . ?
C6 C8 1.391(4) 2_676 ?
C6 C7 1.398(5) . ?
C10 C12 1.377(5) 2_766 ?
C10 C11 1.403(4) . ?
C4 H4 0.9500 . ?
C4 C3 1.394(5) . ?
C4 O12 1.327(9) . ?
C12 H12 0.9500 . ?
C12 C11 1.391(5) . ?
C11 H11 0.9500 . ?
C11 O6 1.317(6) . ?
C3 H3 0.9500 . ?
C3 O11 1.331(12) . ?
N1 C16 1.320(4) . ?
N1 C18 1.461(6) . ?
N1 C17 1.451(7) . ?
C16 H16 0.9500 . ?
C8 H8 0.9500 . ?
C8 C7 1.389(4) . ?
N2A C13A 1.330(8) . ?
N2A C14A 1.448(11) . ?
N2A C15A 1.458(10) . ?
C7 H7 0.9500 . ?
C7 O3 1.383(6) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
O3 H3A 0.8400 . ?
O6 H6 0.8400 . ?
C13A H13A 0.9500 . ?
C14A H14A 0.9800 . ?
C14A H14B 0.9800 . ?
C14A H14C 0.9800 . ?
C15A H15A 0.9800 . ?
C15A H15B 0.9800 . ?
C15A H15C 0.9800 . ?
C14 H14D 0.9800 . ?
C14 H14E 0.9800 . ?
C14 H14F 0.9800 . ?
C14 N2 1.460(12) . ?
C15 H15D 0.9800 . ?
C15 H15E 0.9800 . ?
C15 H15F 0.9800 . ?
C15 N2 1.446(13) . ?
N2 C13 1.330(11) . ?
C13 H13 0.9500 . ?
C13 O7 0.999(10) . ?

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
O4 Tb1 O4 74.92(8) . 2_666 ?
O4 Tb1 O1 76.54(8) . . ?
O4 Tb1 O5 123.98(8) . 2_666 ?
O4 Tb1 O8 144.78(8) . . ?
O4 Tb1 O2 77.60(8) . 2_666 ?
O4 Tb1 O9 131.63(8) . . ?
O4 Tb1 O10 84.56(9) . . ?
O4 Tb1 O7A 79.7(4) . . ?
O4 Tb1 C9 24.99(7) 2_666 2_666 ?
O4 Tb1 C9 99.92(8) . 2_666 ?
O4 Tb1 C1 108.14(9) . . ?
O4 Tb1 O7 82.0(5) . . ?
O1 Tb1 O4 65.99(7) . 2_666 ?
O1 Tb1 O5 77.87(9) . 2_666 ?
O1 Tb1 O8 138.60(8) . . ?
O1 Tb1 O9 71.80(8) . . ?
O1 Tb1 O10 74.88(10) . . ?
O1 Tb1 O7A 142.4(3) . . ?
O1 Tb1 C9 71.39(8) . 2_666 ?
O1 Tb1 C1 70.66(9) . . ?
O1 Tb1 O7 134.6(3) . . ?
O5 Tb1 O4 49.16(7) 2_666 2_666 ?
O5 Tb1 O8 73.70(9) 2_666 . ?
O5 Tb1 O9 83.77(8) 2_666 . ?
O5 Tb1 O10 133.83(9) 2_666 . ?
O5 Tb1 O7A 139.7(3) 2_666 . ?
O5 Tb1 C9 24.21(8) 2_666 2_666 ?
O5 Tb1 C1 108.87(9) 2_666 . ?
O5 Tb1 O7 145.4(4) 2_666 . ?
O8 Tb1 O4 112.77(8) . 2_666 ?
O8 Tb1 O9 75.71(8) . . ?
O8 Tb1 O10 104.57(10) . . ?
O8 Tb1 O7A 70.7(3) . . ?
O8 Tb1 C9 92.35(9) . 2_666 ?
O8 Tb1 C1 90.78(9) . . ?
O2 Tb1 O4 66.31(8) 2_666 2_666 ?
O2 Tb1 O1 130.01(8) 2_666 . ?
O2 Tb1 O5 82.35(9) 2_666 2_666 ?
O2 Tb1 O8 75.08(8) 2_666 . ?
O2 Tb1 O9 150.16(8) 2_666 . ?
O2 Tb1 O10 143.04(9) 2_666 . ?
O2 Tb1 O7A 70.9(2) 2_666 . ?
O2 Tb1 C9 71.94(8) 2_666 2_666 ?
O2 Tb1 C1 159.02(9) 2_666 . ?
O2 Tb1 O7 81.9(3) 2_666 . ?
O9 Tb1 O4 121.06(8) . 2_666 ?
O9 Tb1 C9 103.38(8) . 2_666 ?
O9 Tb1 C1 26.38(9) . . ?
O10 Tb1 O4 138.92(10) . 2_666 ?
O10 Tb1 O9 52.59(8) . . ?
O10 Tb1 O7A 74.2(2) . . ?
O10 Tb1 C9 143.77(10) . 2_666 ?
O10 Tb1 C1 26.23(9) . . ?
O7A Tb1 O4 133.8(3) . 2_666 ?
O7A Tb1 O9 104.7(3) . . ?
O7A Tb1 C9 142.0(2) . 2_666 ?
O7A Tb1 C1 90.0(3) . . ?
C1 Tb1 O4 134.46(8) . 2_666 ?
C1 Tb1 C9 125.01(9) . 2_666 ?
O7 Tb1 O8 72.6(4) . . ?
O7 Tb1 O9 95.1(4) . . ?
O7 Tb1 O10 63.6(3) . . ?
O7 Tb1 C1 79.0(3) . . ?
Tb1 O4 Tb1 105.08(8) . 2_666 ?
C9 O4 Tb1 84.13(19) . 2_666 ?
C9 O4 Tb1 170.8(2) . . ?
C5 O1 Tb1 138.8(2) . . ?
C9 O5 Tb1 105.14(19) . 2_666 ?
C16 O8 Tb1 124.9(2) . . ?
C5 O2 Tb1 134.4(2) . 2_666 ?
C1 O9 Tb1 90.9(2) . . ?
C1 O10 Tb1 95.1(2) . . ?
O1 C5 C6 116.8(3) . . ?
O2 C5 O1 125.8(3) . . ?
O2 C5 C6 117.3(3) . . ?
C13A O7A Tb1 151.1(8) . . ?
O4 C9 Tb1 70.88(17) . 2_666 ?
O4 C9 O5 121.3(3) . . ?
O4 C9 C10 119.7(3) . . ?
O5 C9 Tb1 50.65(15) . 2_666 ?
O5 C9 C10 118.9(3) . . ?
C10 C9 Tb1 168.4(2) . 2_666 ?
O9 C1 Tb1 62.72(17) . . ?
O9 C1 C2 120.9(3) . . ?
O10 C1 Tb1 58.70(18) . . ?
O10 C1 O9 121.4(3) . . ?
O10 C1 C2 117.8(3) . . ?
C2 C1 Tb1 176.2(2) . . ?
C4 C2 C1 120.1(3) 2_777 . ?
C3 C2 C1 119.9(3) . . ?
C3 C2 C4 120.0(3) . 2_777 ?
C8 C6 C5 119.7(3) 2_676 . ?
C8 C6 C7 119.4(3) 2_676 . ?
C7 C6 C5 120.8(3) . . ?
C12 C10 C9 120.1(3) 2_766 . ?
C12 C10 C11 120.1(3) 2_766 . ?
C11 C10 C9 119.8(3) . . ?
C2 C4 H4 120.3 2_777 . ?
C2 C4 C3 119.5(3) 2_777 . ?
C3 C4 H4 120.3 . . ?
O12 C4 C2 124.3(5) . 2_777 ?
O12 C4 C3 116.1(5) . . ?
C10 C12 H12 119.6 2_766 . ?
C10 C12 C11 120.7(3) 2_766 . ?
C11 C12 H12 119.6 . . ?
C10 C11 H11 120.4 . . ?
C12 C11 C10 119.2(3) . . ?
C12 C11 H11 120.4 . . ?
O6 C11 C10 123.7(4) . . ?
O6 C11 C12 117.1(4) . . ?
C2 C3 C4 120.6(3) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
O11 C3 C2 124.7(6) . . ?
O11 C3 C4 114.7(6) . . ?
C16 N1 C18 122.0(4) . . ?
C16 N1 C17 121.5(4) . . ?
C17 N1 C18 116.5(4) . . ?
O8 C16 N1 124.5(4) . . ?
O8 C16 H16 117.7 . . ?
N1 C16 H16 117.7 . . ?
C6 C8 H8 119.5 2_676 . ?
C7 C8 C6 120.9(3) . 2_676 ?
C7 C8 H8 119.5 . . ?
C13A N2A C14A 120.7(7) . . ?
C13A N2A C15A 120.4(8) . . ?
C14A N2A C15A 118.9(8) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 C6 119.6(3) . . ?
C8 C7 H7 120.2 . . ?
O3 C7 C6 124.9(3) . . ?
O3 C7 C8 115.4(3) . . ?
N1 C18 H18A 109.5 . . ?
N1 C18 H18B 109.5 . . ?
N1 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N1 C17 H17A 109.5 . . ?
N1 C17 H17B 109.5 . . ?
N1 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C7 O3 H3A 109.5 . . ?
C11 O6 H6 109.5 . . ?
O7A C13A N2A 138.3(9) . . ?
O7A C13A H13A 110.8 . . ?
N2A C13A H13A 110.8 . . ?
N2A C14A H14A 109.5 . . ?
N2A C14A H14B 109.5 . . ?
N2A C14A H14C 109.5 . . ?
H14A C14A H14B 109.5 . . ?
H14A C14A H14C 109.5 . . ?
H14B C14A H14C 109.5 . . ?
N2A C15A H15A 109.5 . . ?
N2A C15A H15B 109.5 . . ?
N2A C15A H15C 109.5 . . ?
H15A C15A H15B 109.5 . . ?
H15A C15A H15C 109.5 . . ?
H15B C15A H15C 109.5 . . ?
H14D C14 H14E 109.5 . . ?
H14D C14 H14F 109.5 . . ?
H14E C14 H14F 109.5 . . ?
N2 C14 H14D 109.5 . . ?
N2 C14 H14E 109.5 . . ?
N2 C14 H14F 109.5 . . ?
H15D C15 H15E 109.5 . . ?
H15D C15 H15F 109.5 . . ?
H15E C15 H15F 109.5 . . ?
N2 C15 H15D 109.5 . . ?
N2 C15 H15E 109.5 . . ?
N2 C15 H15F 109.5 . . ?
C15 N2 C14 116.6(11) . . ?
C13 N2 C14 122.2(12) . . ?
C13 N2 C15 120.4(11) . . ?
N2 C13 H13 105.5 . . ?
O7 C13 N2 149.0(13) . . ?
O7 C13 H13 105.5 . . ?
C13 O7 Tb1 176.1(17) . . ?

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 O4 C9 O5 -4.6(3) 2_666 . . . ?
Tb1 O4 C9 C10 174.8(3) 2_666 . . . ?
Tb1 O1 C5 O2 0.3(6) . . . . ?
Tb1 O1 C5 C6 179.1(2) . . . . ?
Tb1 O5 C9 O4 5.6(3) 2_666 . . . ?
Tb1 O5 C9 C10 -173.7(2) 2_666 . . . ?
Tb1 O8 C16 N1 153.2(3) . . . . ?
Tb1 O2 C5 O1 35.5(5) 2_666 . . . ?
Tb1 O2 C5 C6 -143.3(2) 2_666 . . . ?
Tb1 O9 C1 O10 -2.9(4) . . . . ?
Tb1 O9 C1 C2 178.6(3) . . . . ?
Tb1 O10 C1 O9 3.0(4) . . . . ?
Tb1 O10 C1 C2 -178.4(3) . . . . ?
Tb1 O7A C13A N2A -167.6(14) . . . . ?
Tb1 C9 C10 C12 149.7(9) 2_666 . . 2_766 ?
Tb1 C9 C10 C11 -29.7(12) 2_666 . . . ?
O4 C9 C10 C12 -4.9(5) . . . 2_766 ?
O4 C9 C10 C11 175.7(3) . . . . ?
O1 C5 C6 C8 170.0(3) . . . 2_676 ?
O1 C5 C6 C7 -12.4(5) . . . . ?
O5 C9 C10 C12 174.4(3) . . . 2_766 ?
O5 C9 C10 C11 -5.0(5) . . . . ?
O2 C5 C6 C8 -11.0(5) . . . 2_676 ?
O2 C5 C6 C7 166.6(3) . . . . ?
O9 C1 C2 C4 -8.5(5) . . . 2_777 ?
O9 C1 C2 C3 170.6(3) . . . . ?
O10 C1 C2 C4 172.9(4) . . . 2_777 ?
O10 C1 C2 C3 -8.0(5) . . . . ?
C5 C6 C7 C8 -177.3(3) . . . . ?
C5 C6 C7 O3 4.2(7) . . . . ?
C9 C10 C11 C12 179.9(3) . . . . ?
C9 C10 C11 O6 -2.6(7) . . . . ?
C1 C2 C3 C4 -179.0(4) . . . . ?
C1 C2 C3 O11 -0.6(11) . . . . ?
C2 C4 C3 C2 -0.1(7) 2_777 . . . ?
C2 C4 C3 O11 -178.6(9) 2_777 . . . ?
C6 C8 C7 C6 -0.3(6) 2_676 . . . ?
C6 C8 C7 O3 178.3(5) 2_676 . . . ?
C10 C12 C11 C10 -0.4(6) 2_766 . . . ?
C10 C12 C11 O6 -178.2(5) 2_766 . . . ?
C4 C2 C3 C4 0.1(7) 2_777 . . . ?
C4 C2 C3 O11 178.5(10) 2_777 . . . ?
C12 C10 C11 C12 0.4(6) 2_766 . . . ?
C12 C10 C11 O6 178.0(5) 2_766 . . . ?
C8 C6 C7 C8 0.3(6) 2_676 . . . ?
C8 C6 C7 O3 -178.2(5) 2_676 . . . ?
C18 N1 C16 O8 180.0(4) . . . . ?
C17 N1 C16 O8 0.8(7) . . . . ?
C14A N2A C13A O7A 12(2) . . . . ?
O12 C4 C3 C2 175.8(7) . . . . ?
O12 C4 C3 O11 -2.8(12) . . . . ?
C15A N2A C13A O7A -166.5(17) . . . . ?
C14 N2 C13 O7 -160(3) . . . . ?
C15 N2 C13 O7 31(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
