# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2355401'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2024-09-21 deposited with the CCDC.	2024-10-01 downloaded from the CCDC.
;
_audit_creation_date             2024-09-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H23 Eu N2 O9, 0.25[], 0.25[]'
_chemical_formula_sum            'C24 H26 Eu N3 O14'
_chemical_formula_weight         732.44
_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 0.0181 0.0091 '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'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   14.0075(6)
_cell_length_b                   18.7510(5)
_cell_length_c                   20.4381(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5368.2(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    3035
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.0520
_cell_measurement_theta_min      4.4950
_shelx_estimated_absorpt_T_max   0.336
_shelx_estimated_absorpt_T_min   0.303
_exptl_absorpt_coefficient_mu    17.429
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64015
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.813
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0571
_diffrn_reflns_av_unetI/netI     0.0692
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12662
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.250
_diffrn_reflns_theta_max         67.250
_diffrn_reflns_theta_min         4.326
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1281
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -28.00  37.00   1.00   20.00    --    0.00  77.00-150.00   65
  2  ω    -15.00  32.00   1.00   20.00    --    0.00  57.00  30.00   47
  3  ω     22.00  61.00   1.00   65.00    --   54.63-125.00 -30.00   39
  4  ω     34.00 117.00   1.00   65.00    --   54.63  57.00 -30.00   83
  5  ω     33.00 100.00   1.00   65.00    --   54.63  57.00  60.00   67
  6  ω     91.00 118.00   1.00   65.00    --   54.63  57.00  90.00   27
  7  ω     43.00 125.00   1.00   65.00    --  109.26 -50.00  30.00   82
  8  ω     55.00 137.00   1.00   65.00    --  109.26 -77.00 -90.00   82
  9  ω     38.00  66.00   1.00   65.00    --  109.26 -91.00 -90.00   28
 10  ω     41.00 126.00   1.00   65.00    --  109.26 -50.00 120.00   85
 11  ω    133.00 172.00   1.00   65.00    --  109.26  50.00   0.00   39
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0475332000
_diffrn_orient_matrix_UB_12      -0.0738843000
_diffrn_orient_matrix_UB_13      -0.0055834000
_diffrn_orient_matrix_UB_21      0.0585001000
_diffrn_orient_matrix_UB_22      0.0263839000
_diffrn_orient_matrix_UB_23      -0.0590071000
_diffrn_orient_matrix_UB_31      0.0800329000
_diffrn_orient_matrix_UB_32      0.0245452000
_diffrn_orient_matrix_UB_33      0.0465674000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3256
_reflns_number_total             4805
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_refine_diff_density_max         1.669
_refine_diff_density_min         -0.588
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4805
_refine_ls_number_restraints     58
_refine_ls_R_factor_all          0.0913
_refine_ls_R_factor_gt           0.0580
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0864P)²+7.9634P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1464
_refine_ls_wR_factor_ref         0.1695
_refine_special_details          ?
_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 O(H,H) groups
2. Restrained distances
 N3-O12 = N3-O14
 1.25 with sigma of 0.02
 N3-O13
 1.24 with sigma of 0.02
 N3-O12 \\sim N3-O13 \\sim N3-O14
 with sigma of 0.02
 O12-O13 \\sim O13-O14 \\sim O14-O12
 with sigma of 0.04
3. Restrained planarity
 N3, O12, O13, O14
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
N3 \\sim O12 \\sim O13 \\sim O14: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
Uanis(O11) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
5. Rigid body (RIGU) restrains
 N3, O12, O13, O14
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6.a Riding coordinates:
 O9(H9A,H9B), O10(H10C,H10D), O11(H11C,H11D)
6.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C11(H11A,H11B), C24(H24A,H24B), C25(H25A,H25B)
6.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C13(H13), C14(H14), C16(H16), C17(H17),
 C19(H19), C20(H20), C22(H22), C23(H23)
;
_atom_sites_solution_hydrogens   mixed
_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
Eu1 Eu 0.54864(4) 0.46896(2) 0.40580(2) 0.02730(18) Uani 1 1 d . . . . .
O1 O 0.5575(5) 0.3765(3) 0.3327(3) 0.0460(16) Uani 1 1 d . . . . .
O2 O 0.6468(6) 0.4102(3) 0.2477(3) 0.0553(18) Uani 1 1 d . . . . .
O3 O 0.5116(5) 0.0364(3) 0.1954(3) 0.0429(15) Uani 1 1 d . . . . .
O4 O 0.5199(5) 0.0879(3) 0.0992(3) 0.0444(16) Uani 1 1 d . . . . .
O5 O 0.5933(5) 0.5210(3) 0.5079(3) 0.0387(14) Uani 1 1 d . . . . .
O6 O 0.6281(5) 0.5528(3) 0.6075(3) 0.0466(16) Uani 1 1 d . . . . .
O7 O 0.7225(5) 0.0632(3) 0.9013(3) 0.0427(15) Uani 1 1 d . . . . .
O8 O 0.6800(5) -0.0423(3) 0.8660(3) 0.0481(17) Uani 1 1 d . . . . .
O9 O 0.5570(5) 0.3664(3) 0.4769(3) 0.0522(19) Uani 1 1 d . . . . .
H9A H 0.507401 0.349794 0.500428 0.078 Uiso 1 1 d R U . . .
H9B H 0.599701 0.381094 0.506978 0.078 Uiso 1 1 d R U . . .
C1 C 0.5976(7) 0.3669(5) 0.2783(4) 0.037(2) Uani 1 1 d . . . . .
C2 C 0.5822(6) 0.2933(4) 0.2488(4) 0.0322(19) Uani 1 1 d . . . . .
C3 C 0.5677(6) 0.2345(4) 0.2878(4) 0.034(2) Uani 1 1 d . . . . .
H3 H 0.568638 0.239183 0.333119 0.041 Uiso 1 1 calc R U . . .
C4 C 0.5515(6) 0.1678(4) 0.2595(4) 0.0327(19) Uani 1 1 d . . . . .
H4 H 0.543096 0.128029 0.285996 0.039 Uiso 1 1 calc R U . . .
C5 C 0.5479(6) 0.1606(4) 0.1919(4) 0.0298(17) Uani 1 1 d . . . . .
C6 C 0.5638(6) 0.2207(4) 0.1528(4) 0.034(2) Uani 1 1 d . . . . .
H6 H 0.561276 0.216622 0.107452 0.041 Uiso 1 1 calc R U . . .
C7 C 0.5831(7) 0.2860(4) 0.1809(4) 0.037(2) Uani 1 1 d . . . . .
H7 H 0.596812 0.325093 0.154524 0.045 Uiso 1 1 calc R U . . .
C8 C 0.5260(7) 0.0913(4) 0.1608(4) 0.036(2) Uani 1 1 d . . . . .
C9 C 0.6540(6) 0.5322(4) 0.5537(4) 0.0312(18) Uani 1 1 d . . . . .
C10 C 0.7580(7) 0.5192(5) 0.5386(4) 0.045(2) Uani 1 1 d . . . . .
H10A H 0.762385 0.477484 0.510753 0.054 Uiso 1 1 calc R U . . .
H10B H 0.781545 0.559533 0.513591 0.054 Uiso 1 1 calc R U . . .
C11 C 0.8224(7) 0.5085(6) 0.5956(5) 0.051(2) Uani 1 1 d . . . . .
H11A H 0.813437 0.547879 0.625798 0.061 Uiso 1 1 calc R U . . .
H11B H 0.887881 0.510257 0.580351 0.061 Uiso 1 1 calc R U . . .
N1 N 0.8077(6) 0.4390(4) 0.6328(4) 0.050(2) Uani 1 1 d . . . . .
C13 C 0.7928(9) 0.3780(6) 0.6004(5) 0.062(3) Uani 1 1 d . . . . .
H13 H 0.781499 0.379326 0.555586 0.074 Uiso 1 1 calc R U . . .
C14 C 0.7939(9) 0.3124(6) 0.6325(5) 0.064(3) Uani 1 1 d . . . . .
H14 H 0.784847 0.270163 0.609439 0.076 Uiso 1 1 calc R U . . .
C15 C 0.8088(7) 0.3115(5) 0.6997(4) 0.043(2) Uani 1 1 d . . . . .
C16 C 0.8169(8) 0.3770(5) 0.7319(5) 0.051(3) Uani 1 1 d . . . . .
H16 H 0.821280 0.378324 0.777317 0.061 Uiso 1 1 calc R U . . .
C17 C 0.8185(8) 0.4380(6) 0.6975(5) 0.052(3) Uani 1 1 d . . . . .
H17 H 0.827349 0.480922 0.719498 0.062 Uiso 1 1 calc R U . . .
C18 C 0.8214(6) 0.2433(5) 0.7372(4) 0.040(2) Uani 1 1 d . . . . .
C19 C 0.8445(7) 0.1802(5) 0.7052(4) 0.044(2) Uani 1 1 d . . . . .
H19 H 0.845857 0.178412 0.659714 0.053 Uiso 1 1 calc R U . . .
C20 C 0.8652(7) 0.1207(5) 0.7412(4) 0.046(2) Uani 1 1 d . . . . .
H20 H 0.878230 0.078133 0.719675 0.056 Uiso 1 1 calc R U . . .
N2 N 0.8673(6) 0.1222(4) 0.8065(4) 0.0450(19) Uani 1 1 d . . . . .
C22 C 0.8403(8) 0.1812(5) 0.8388(5) 0.054(3) Uani 1 1 d . . . . .
H22 H 0.838002 0.181014 0.884271 0.064 Uiso 1 1 calc R U . . .
C23 C 0.8164(8) 0.2407(6) 0.8055(5) 0.053(3) Uani 1 1 d . . . . .
H23 H 0.796164 0.280814 0.828369 0.064 Uiso 1 1 calc R U . . .
C24 C 0.9045(8) 0.0589(6) 0.8438(5) 0.056(3) Uani 1 1 d . . . . .
H24A H 0.965960 0.045175 0.825956 0.067 Uiso 1 1 calc R U . . .
H24B H 0.914167 0.072456 0.889181 0.067 Uiso 1 1 calc R U . . .
C25 C 0.8381(8) -0.0039(6) 0.8411(5) 0.053(3) Uani 1 1 d . . . . .
H25A H 0.829518 -0.017159 0.795616 0.064 Uiso 1 1 calc R U . . .
H25B H 0.868601 -0.043714 0.863005 0.064 Uiso 1 1 calc R U . . .
C26 C 0.7421(8) 0.0069(5) 0.8708(4) 0.042(2) Uani 1 1 d . . . . .
O10 O 0.6789(12) 0.2495(7) 0.4812(9) 0.215(8) Uani 1 1 d . . . . .
H10C H 0.657923 0.284015 0.458417 0.323 Uiso 1 1 d R U . . .
H10D H 0.633573 0.219355 0.481357 0.323 Uiso 1 1 d R U . . .
O11 O 0.8482(15) 0.1920(11) 0.4655(10) 0.269(10) Uani 1 1 d . U . . .
H11C H 0.813457 0.207023 0.434249 0.404 Uiso 1 1 d R U . . .
H11D H 0.821187 0.201223 0.501749 0.404 Uiso 1 1 d R U . . .
N3 N 0.5073(10) 0.1223(11) 0.4854(7) 0.176(8) Uani 1 1 d D U . . .
O12 O 0.4343(13) 0.105(2) 0.5047(8) 0.351(14) Uani 1 1 d D U . . .
O13 O 0.5259(12) 0.1233(10) 0.4314(7) 0.189(7) Uani 1 1 d D U . . .
O14 O 0.5558(15) 0.1457(14) 0.5259(9) 0.264(11) Uani 1 1 d D U . . .


_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
Eu1 O1 2.292(6) . ?
Eu1 O3 2.567(6) 3_655 ?
Eu1 O4 2.430(6) 3_655 ?
Eu1 O5 2.388(6) . ?
Eu1 O5 2.664(6) 5_666 ?
Eu1 O6 2.525(7) 5_666 ?
Eu1 O7 2.511(7) 7_565 ?
Eu1 O8 2.436(7) 7_565 ?
Eu1 O9 2.413(6) . ?
Eu1 H9B 2.7390 . ?
Eu1 C8 2.865(8) 3_655 ?
Eu1 C9 2.957(9) 5_666 ?
Eu1 C26 2.839(10) 7_565 ?
O1 C1 1.258(11) . ?
O2 C1 1.234(11) . ?
O3 C8 1.265(10) . ?
O4 C8 1.264(10) . ?
O5 C9 1.282(10) . ?
O6 C9 1.221(10) . ?
O7 C26 1.257(11) . ?
O8 C26 1.272(12) . ?
O9 H9A 0.9009 . ?
O9 H9B 0.9011 . ?
C1 C2 1.522(11) . ?
C2 C3 1.376(11) . ?
C2 C7 1.396(11) . ?
C3 H3 0.9300 . ?
C3 C4 1.397(11) . ?
C4 H4 0.9300 . ?
C4 C5 1.389(11) . ?
C5 C6 1.401(11) . ?
C5 C8 1.478(11) . ?
C6 H6 0.9300 . ?
C6 C7 1.378(11) . ?
C7 H7 0.9300 . ?
C9 C10 1.508(13) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.487(13) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 N1 1.523(13) . ?
N1 C13 1.338(13) . ?
N1 C17 1.331(12) . ?
C13 H13 0.9300 . ?
C13 C14 1.394(15) . ?
C14 H14 0.9300 . ?
C14 C15 1.390(13) . ?
C15 C16 1.398(12) . ?
C15 C18 1.501(13) . ?
C16 H16 0.9300 . ?
C16 C17 1.344(14) . ?
C17 H17 0.9300 . ?
C18 C19 1.391(12) . ?
C18 C23 1.397(13) . ?
C19 H19 0.9300 . ?
C19 C20 1.367(13) . ?
C20 H20 0.9300 . ?
C20 N2 1.336(11) . ?
N2 C22 1.341(11) . ?
N2 C24 1.504(13) . ?
C22 H22 0.9300 . ?
C22 C23 1.350(14) . ?
C23 H23 0.9300 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C25 1.502(15) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.489(14) . ?
O10 H10C 0.8498 . ?
O10 H10D 0.8500 . ?
O11 H11C 0.8500 . ?
O11 H11D 0.8499 . ?
N3 O12 1.143(11) . ?
N3 O13 1.133(11) . ?
N3 O14 1.158(11) . ?

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 Eu1 O3 82.2(2) . 3_655 ?
O1 Eu1 O4 133.5(2) . 3_655 ?
O1 Eu1 O5 149.9(2) . . ?
O1 Eu1 O5 121.7(2) . 5_666 ?
O1 Eu1 O6 82.0(2) . 5_666 ?
O1 Eu1 O7 75.0(2) . 7_565 ?
O1 Eu1 O8 99.7(2) . 7_565 ?
O1 Eu1 O9 77.7(2) . . ?
O1 Eu1 H9B 91.3 . . ?
O1 Eu1 C8 108.4(2) . 3_655 ?
O1 Eu1 C9 103.2(2) . 5_666 ?
O1 Eu1 C26 84.5(2) . 7_565 ?
O3 Eu1 O5 104.7(2) 3_655 5_666 ?
O3 Eu1 H9B 172.1 3_655 . ?
O3 Eu1 C8 26.2(2) 3_655 3_655 ?
O3 Eu1 C9 85.0(2) 3_655 5_666 ?
O3 Eu1 C26 91.9(2) 3_655 7_565 ?
O4 Eu1 O3 52.02(17) 3_655 3_655 ?
O4 Eu1 O5 70.60(19) 3_655 5_666 ?
O4 Eu1 O6 75.9(2) 3_655 5_666 ?
O4 Eu1 O7 127.0(2) 3_655 7_565 ?
O4 Eu1 O8 76.5(2) 3_655 7_565 ?
O4 Eu1 H9B 133.4 3_655 . ?
O4 Eu1 C8 26.0(2) 3_655 3_655 ?
O4 Eu1 C9 68.8(2) 3_655 5_666 ?
O4 Eu1 C26 102.7(3) 3_655 7_565 ?
O5 Eu1 O3 126.12(18) . 3_655 ?
O5 Eu1 O4 76.4(2) . 3_655 ?
O5 Eu1 O5 65.7(2) . 5_666 ?
O5 Eu1 O6 114.7(2) . 5_666 ?
O5 Eu1 O7 82.9(2) . 7_565 ?
O5 Eu1 O8 82.1(2) . 7_565 ?
O5 Eu1 O9 77.7(2) . . ?
O5 Eu1 H9B 74.8 5_666 . ?
O5 Eu1 H9B 61.1 . . ?
O5 Eu1 C8 89.2(2) 5_666 3_655 ?
O5 Eu1 C8 100.6(2) . 3_655 ?
O5 Eu1 C9 90.6(2) . 5_666 ?
O5 Eu1 C9 25.7(2) 5_666 5_666 ?
O5 Eu1 C26 84.5(2) . 7_565 ?
O5 Eu1 C26 150.2(2) 5_666 7_565 ?
O6 Eu1 O3 70.7(2) 5_666 3_655 ?
O6 Eu1 O5 49.51(18) 5_666 5_666 ?
O6 Eu1 H9B 103.9 5_666 . ?
O6 Eu1 C8 73.7(2) 5_666 3_655 ?
O6 Eu1 C9 24.1(2) 5_666 5_666 ?
O6 Eu1 C26 159.2(2) 5_666 7_565 ?
O7 Eu1 O3 114.1(2) 7_565 3_655 ?
O7 Eu1 O5 139.91(18) 7_565 5_666 ?
O7 Eu1 O6 155.3(2) 7_565 5_666 ?
O7 Eu1 H9B 68.2 7_565 . ?
O7 Eu1 C8 122.0(2) 7_565 3_655 ?
O7 Eu1 C9 160.0(2) 7_565 5_666 ?
O7 Eu1 C26 26.3(2) 7_565 7_565 ?
O8 Eu1 O3 72.6(2) 7_565 3_655 ?
O8 Eu1 O5 138.1(2) 7_565 5_666 ?
O8 Eu1 O6 142.7(2) 7_565 5_666 ?
O8 Eu1 O7 52.5(2) 7_565 7_565 ?
O8 Eu1 H9B 113.2 7_565 . ?
O8 Eu1 C8 70.4(2) 7_565 3_655 ?
O8 Eu1 C9 145.3(2) 7_565 5_666 ?
O8 Eu1 C26 26.5(2) 7_565 7_565 ?
O9 Eu1 O3 153.3(2) . 3_655 ?
O9 Eu1 O4 140.9(2) . 3_655 ?
O9 Eu1 O5 72.2(2) . 5_666 ?
O9 Eu1 O6 89.1(2) . 5_666 ?
O9 Eu1 O7 77.5(2) . 7_565 ?
O9 Eu1 O8 127.9(2) . 7_565 ?
O9 Eu1 H9B 18.8 . . ?
O9 Eu1 C8 160.4(3) . 3_655 ?
O9 Eu1 C9 82.7(2) . 5_666 ?
O9 Eu1 C26 103.4(3) . 7_565 ?
C8 Eu1 H9B 159.3 3_655 . ?
C8 Eu1 C9 77.8(2) 3_655 5_666 ?
C9 Eu1 H9B 92.0 5_666 . ?
C26 Eu1 H9B 92.1 7_565 . ?
C26 Eu1 C8 95.8(3) 7_565 3_655 ?
C26 Eu1 C9 171.1(2) 7_565 5_666 ?
C1 O1 Eu1 135.1(6) . . ?
C8 O3 Eu1 90.1(5) . 3_645 ?
C8 O4 Eu1 96.5(5) . 3_645 ?
Eu1 O5 Eu1 114.3(2) . 5_666 ?
C9 O5 Eu1 151.5(6) . . ?
C9 O5 Eu1 90.0(5) . 5_666 ?
C9 O6 Eu1 98.2(5) . 5_666 ?
C26 O7 Eu1 91.6(6) . 7_566 ?
C26 O8 Eu1 94.7(6) . 7_566 ?
Eu1 O9 H9A 124.0 . . ?
Eu1 O9 H9B 101.5 . . ?
H9A O9 H9B 104.6 . . ?
O1 C1 C2 114.6(8) . . ?
O2 C1 O1 127.1(8) . . ?
O2 C1 C2 118.3(8) . . ?
C3 C2 C1 121.2(8) . . ?
C3 C2 C7 119.9(7) . . ?
C7 C2 C1 118.9(8) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.1(7) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 119.8 . . ?
C5 C4 C3 120.4(8) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 C6 118.9(7) . . ?
C4 C5 C8 121.4(7) . . ?
C6 C5 C8 119.7(7) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 C5 120.6(7) . . ?
C7 C6 H6 119.7 . . ?
C2 C7 H7 120.0 . . ?
C6 C7 C2 120.0(8) . . ?
C6 C7 H7 120.0 . . ?
O3 C8 Eu1 63.7(4) . 3_645 ?
O3 C8 C5 120.5(7) . . ?
O4 C8 Eu1 57.5(4) . 3_645 ?
O4 C8 O3 120.4(8) . . ?
O4 C8 C5 119.1(7) . . ?
C5 C8 Eu1 169.6(6) . 3_645 ?
O5 C9 Eu1 64.3(4) . 5_666 ?
O5 C9 C10 117.7(7) . . ?
O6 C9 Eu1 57.7(5) . 5_666 ?
O6 C9 O5 120.8(8) . . ?
O6 C9 C10 121.5(8) . . ?
C10 C9 Eu1 169.5(6) . 5_666 ?
C9 C10 H10A 108.2 . . ?
C9 C10 H10B 108.2 . . ?
H10A C10 H10B 107.3 . . ?
C11 C10 C9 116.5(8) . . ?
C11 C10 H10A 108.2 . . ?
C11 C10 H10B 108.2 . . ?
C10 C11 H11A 108.5 . . ?
C10 C11 H11B 108.5 . . ?
C10 C11 N1 115.1(8) . . ?
H11A C11 H11B 107.5 . . ?
N1 C11 H11A 108.5 . . ?
N1 C11 H11B 108.5 . . ?
C13 N1 C11 120.4(8) . . ?
C17 N1 C11 119.4(9) . . ?
C17 N1 C13 119.9(10) . . ?
N1 C13 H13 119.3 . . ?
N1 C13 C14 121.3(9) . . ?
C14 C13 H13 119.3 . . ?
C13 C14 H14 120.7 . . ?
C15 C14 C13 118.5(9) . . ?
C15 C14 H14 120.7 . . ?
C14 C15 C16 117.8(10) . . ?
C14 C15 C18 122.2(9) . . ?
C16 C15 C18 119.9(8) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.2(9) . . ?
C17 C16 H16 119.9 . . ?
N1 C17 C16 122.0(10) . . ?
N1 C17 H17 119.0 . . ?
C16 C17 H17 119.0 . . ?
C19 C18 C15 120.8(8) . . ?
C19 C18 C23 116.9(9) . . ?
C23 C18 C15 122.2(9) . . ?
C18 C19 H19 120.3 . . ?
C20 C19 C18 119.3(8) . . ?
C20 C19 H19 120.3 . . ?
C19 C20 H20 119.1 . . ?
N2 C20 C19 121.7(9) . . ?
N2 C20 H20 119.1 . . ?
C20 N2 C22 120.2(9) . . ?
C20 N2 C24 119.9(8) . . ?
C22 N2 C24 119.9(8) . . ?
N2 C22 H22 119.9 . . ?
N2 C22 C23 120.2(9) . . ?
C23 C22 H22 119.9 . . ?
C18 C23 H23 119.3 . . ?
C22 C23 C18 121.3(9) . . ?
C22 C23 H23 119.3 . . ?
N2 C24 H24A 109.1 . . ?
N2 C24 H24B 109.1 . . ?
H24A C24 H24B 107.8 . . ?
C25 C24 N2 112.6(8) . . ?
C25 C24 H24A 109.1 . . ?
C25 C24 H24B 109.1 . . ?
C24 C25 H25A 108.3 . . ?
C24 C25 H25B 108.3 . . ?
H25A C25 H25B 107.4 . . ?
C26 C25 C24 115.9(9) . . ?
C26 C25 H25A 108.3 . . ?
C26 C25 H25B 108.3 . . ?
O7 C26 Eu1 62.1(5) . 7_566 ?
O7 C26 O8 119.9(9) . . ?
O7 C26 C25 120.9(10) . . ?
O8 C26 Eu1 58.8(5) . 7_566 ?
O8 C26 C25 119.2(9) . . ?
C25 C26 Eu1 170.5(6) . 7_566 ?
H10C O10 H10D 104.5 . . ?
H11C O11 H11D 109.5 . . ?
O12 N3 O14 112.6(16) . . ?
O13 N3 O12 123.2(17) . . ?
O13 N3 O14 123.7(18) . . ?

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
Eu1 O1 C1 O2 -0.6(15) . . . . ?
Eu1 O1 C1 C2 179.2(5) . . . . ?
Eu1 O3 C8 O4 -9.4(9) 3_645 . . . ?
Eu1 O3 C8 C5 169.1(8) 3_645 . . . ?
Eu1 O4 C8 O3 10.0(10) 3_645 . . . ?
Eu1 O4 C8 C5 -168.6(7) 3_645 . . . ?
Eu1 O5 C9 Eu1 -149.9(11) . . . 5_666 ?
Eu1 O5 C9 O6 -11.8(8) 5_666 . . . ?
Eu1 O5 C9 O6 -161.7(7) . . . . ?
Eu1 O5 C9 C10 168.4(7) 5_666 . . . ?
Eu1 O5 C9 C10 18.5(15) . . . . ?
Eu1 O6 C9 O5 12.6(8) 5_666 . . . ?
Eu1 O6 C9 C10 -167.6(7) 5_666 . . . ?
Eu1 O7 C26 O8 -11.6(8) 7_566 . . . ?
Eu1 O7 C26 C25 169.6(8) 7_566 . . . ?
Eu1 O8 C26 O7 12.0(8) 7_566 . . . ?
Eu1 O8 C26 C25 -169.2(7) 7_566 . . . ?
Eu1 C9 C10 C11 -62(3) 5_666 . . . ?
O1 C1 C2 C3 -29.1(12) . . . . ?
O1 C1 C2 C7 151.0(9) . . . . ?
O2 C1 C2 C3 150.8(9) . . . . ?
O2 C1 C2 C7 -29.2(13) . . . . ?
O5 C9 C10 C11 -160.0(8) . . . . ?
O6 C9 C10 C11 20.2(13) . . . . ?
C1 C2 C3 C4 178.5(8) . . . . ?
C1 C2 C7 C6 -176.2(8) . . . . ?
C2 C3 C4 C5 -1.4(13) . . . . ?
C3 C2 C7 C6 3.9(14) . . . . ?
C3 C4 C5 C6 2.0(14) . . . . ?
C3 C4 C5 C8 -176.8(8) . . . . ?
C4 C5 C6 C7 0.3(14) . . . . ?
C4 C5 C8 Eu1 109(3) . . . 3_645 ?
C4 C5 C8 O3 -1.2(14) . . . . ?
C4 C5 C8 O4 177.3(9) . . . . ?
C5 C6 C7 C2 -3.3(14) . . . . ?
C6 C5 C8 Eu1 -69(3) . . . 3_645 ?
C6 C5 C8 O3 179.9(8) . . . . ?
C6 C5 C8 O4 -1.6(13) . . . . ?
C7 C2 C3 C4 -1.6(13) . . . . ?
C8 C5 C6 C7 179.2(8) . . . . ?
C9 C10 C11 N1 69.4(11) . . . . ?
C10 C11 N1 C13 41.9(14) . . . . ?
C10 C11 N1 C17 -144.3(10) . . . . ?
C11 N1 C13 C14 170.0(10) . . . . ?
C11 N1 C17 C16 -172.5(10) . . . . ?
N1 C13 C14 C15 1.4(19) . . . . ?
C13 N1 C17 C16 1.4(17) . . . . ?
C13 C14 C15 C16 3.3(17) . . . . ?
C13 C14 C15 C18 -173.4(10) . . . . ?
C14 C15 C16 C17 -5.6(16) . . . . ?
C14 C15 C18 C19 17.7(15) . . . . ?
C14 C15 C18 C23 -166.3(11) . . . . ?
C15 C16 C17 N1 3.4(17) . . . . ?
C15 C18 C19 C20 173.2(9) . . . . ?
C15 C18 C23 C22 -171.1(10) . . . . ?
C16 C15 C18 C19 -158.9(10) . . . . ?
C16 C15 C18 C23 17.1(15) . . . . ?
C17 N1 C13 C14 -3.8(18) . . . . ?
C18 C15 C16 C17 171.1(9) . . . . ?
C18 C19 C20 N2 -2.5(16) . . . . ?
C19 C18 C23 C22 5.1(16) . . . . ?
C19 C20 N2 C22 6.1(16) . . . . ?
C19 C20 N2 C24 -170.9(9) . . . . ?
C20 N2 C22 C23 -4.0(16) . . . . ?
C20 N2 C24 C25 -71.1(12) . . . . ?
N2 C22 C23 C18 -1.7(17) . . . . ?
N2 C24 C25 C26 -62.6(11) . . . . ?
C22 N2 C24 C25 111.9(10) . . . . ?
C23 C18 C19 C20 -3.0(14) . . . . ?
C24 N2 C22 C23 173.0(10) . . . . ?
C24 C25 C26 O7 -6.2(13) . . . . ?
C24 C25 C26 O8 175.0(8) . . . . ?

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.424
_oxdiff_exptl_absorpt_empirical_full_min 0.759
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2355402'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2024-09-21 deposited with the CCDC.	2024-10-01 downloaded from the CCDC.
;
_audit_creation_date             2024-09-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H22 N2 O9 Tb, N O3, 2(H2 O)'
_chemical_formula_sum            'C24 H26 N3 O14 Tb'
_chemical_formula_weight         739.40
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -9.1472 9.1891 '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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   14.6366(3)
_cell_length_b                   18.5358(3)
_cell_length_c                   19.7866(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5368.13(16)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    26494
_cell_measurement_temperature    150
_cell_measurement_theta_max      73.9380
_cell_measurement_theta_min      4.4040
_shelx_estimated_absorpt_T_max   0.342
_shelx_estimated_absorpt_T_min   0.342
_exptl_absorpt_coefficient_mu    13.658
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50286
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.49a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.830
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2944
_exptl_crystal_size_max          0.1
_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  0.0763
_diffrn_reflns_av_unetI/netI     0.0323
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            55701
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.240
_diffrn_reflns_theta_min         4.451
_diffrn_ambient_temperature      150
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -23.00  42.00   0.50    0.05    --  -39.95  19.00 -60.00  130
  2  ω    -66.00  22.00   0.50    0.05    --  -39.95  57.00-150.00  176
  3  ω   -111.00 -14.00   0.50    0.05    --  -39.95 -57.00  60.00  194
  4  ω     68.00  94.00   0.50    0.05    --   39.95-178.00  90.00   52
  5  ω     84.00 126.00   0.50    0.05    --   39.95-178.00   0.00   84
  6  ω    -12.00 124.00   0.50    0.05    --   39.95  19.00-150.00  272
  7  ω     81.00 125.00   0.50    0.05    --   39.95 178.00 120.00   88
  8  ω   -162.00-108.00   0.50    0.20    --  -94.50 -45.00 -90.00  108
  9  ω   -131.00 -74.00   0.50    0.20    --  -94.50 -77.00 150.00  114
 10  ω    -50.00 -25.00   0.50    0.20    --  -94.50  45.00-180.00   50
 11  ω    -77.00 -25.00   0.50    0.20    --  -94.50 125.00-120.00  104
 12  ω    -60.00 -19.00   0.50    0.20    --  -94.50  77.00  30.00   82
 13  ω    -71.00 -45.00   0.50    0.20    --  -94.50  61.00  30.00   52
 14  ω    -86.00 -24.00   0.50    0.20    --  -94.50 125.00 150.00  124
 15  ω     92.00 178.00   0.50    0.20    --  108.87  45.00   0.00  172
 16  ω     34.00 111.00   0.50    0.20    --  108.87-125.00  90.00  154
 17  ω    104.00 170.00   0.50    0.20    --  108.87  45.00 -30.00  132
 18  ω     95.00 166.00   0.50    0.20    --  108.87 125.00  90.00  142
 19  ω    106.00 178.00   0.50    0.20    --  108.87  30.00-120.00  144
 20  ω     72.00 100.00   0.50    0.20    --  108.87  30.00-120.00   56
 21  ω     36.00  62.00   0.50    0.20    --  108.87 -61.00-120.00   52
 22  ω     29.00  89.00   0.50    0.20    --  108.87 -94.00 120.00  120
 23  ω     47.00 110.00   0.50    0.20    --  108.87-125.00  60.00  126
 24  ω     73.00 111.00   0.50    0.20    --  108.87-125.00 -90.00   76
 25  ω     34.00  59.00   0.50    0.20    --  108.87 -61.00 120.00   50
 26  ω    135.00 161.00   0.50    0.20    --  108.87 125.00-150.00   52
 27  ω     77.00 105.00   0.50    0.20    --  108.87 -94.00-120.00   56
 28  ω     37.00  62.00   0.50    0.20    --  108.87 -77.00 120.00   50
 29  ω     69.00 100.00   0.50    0.20    --  108.87 -77.00 120.00   62
 30  ω     80.00 116.00   0.50    0.20    --  108.87  45.00 -60.00   72
 31  ω     99.00 132.00   0.50    0.20    --  108.87-153.00-131.02   66
 32  ω     53.00  84.00   0.50    0.20    --  108.87-153.00-131.02   62
 33  ω     34.00  71.00   0.50    0.20    --  108.87 -61.00-150.00   74
 34  ω    128.00 162.00   0.50    0.20    --  108.87  45.00  90.00   68
 35  ω     63.00 111.00   0.50    0.20    --  108.87-125.00  30.00   96
 36  ω    104.00 155.00   0.50    0.20    --  108.87 125.00-180.00  102
 37  ω     65.00 111.00   0.50    0.20    --  108.87-125.00   0.00   92
 38  ω     98.00 124.00   0.50    0.20    --  108.87 125.00-150.00   52
 39  ω     83.00 108.00   0.50    0.20    --  108.87  45.00  90.00   50
 40  ω     46.00  71.00   0.50    0.20    --  108.87 -61.00 -90.00   50
 41  ω    120.00 175.00   0.50    0.20    --  108.87  45.00 -60.00  110
 42  ω     36.00 107.00   0.50    0.20    --  108.87-109.00 123.28  142
 43  ω     37.00 107.00   0.50    0.20    --  108.87-102.00-125.12  140
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0197965000
_diffrn_orient_matrix_UB_12      0.0597480000
_diffrn_orient_matrix_UB_13      0.0521079000
_diffrn_orient_matrix_UB_21      0.0631076000
_diffrn_orient_matrix_UB_22      0.0378837000
_diffrn_orient_matrix_UB_23      -0.0512308000
_diffrn_orient_matrix_UB_31      -0.0818789000
_diffrn_orient_matrix_UB_32      0.0435986000
_diffrn_orient_matrix_UB_33      -0.0269020000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4221
_reflns_number_total             4917
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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       'CrysAlisPro 1.171.41.49a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.41.49a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.41.49a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.103
_refine_diff_density_min         -0.936
_refine_diff_density_rms         0.099
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         4917
_refine_ls_number_restraints     176
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0356
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0558P)²+6.3103P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0920
_refine_ls_wR_factor_ref         0.0959
_refine_special_details          ?
_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 O(H,H) groups
2. Restrained distances
 N3-O3 = N3-O7
 1.25 with sigma of 0.02
 N3-O13
 1.24 with sigma of 0.02
 N2-O15 = N2-O17
 1.25 with sigma of 0.02
 N2-O2
 1.24 with sigma of 0.02
 N3-O3 \\sim N3-O13 \\sim N3-O7
 with sigma of 0.02
 O3-O13 \\sim O13-O7 \\sim O7-O3
 with sigma of 0.04
 N2-O15 \\sim N2-O2 \\sim N2-O17
 with sigma of 0.02
 O15-O2 \\sim O2-O17 \\sim O17-O15
 with sigma of 0.04
3. Restrained planarity
 N3, O3, O13, O7
 with sigma of 0.1
 N2, O15, O2, O17
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
N3 \\sim O3 \\sim O13 \\sim O7: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
O13 \\sim N3 \\sim O7 \\sim O3: within 3A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 3A
N2 \\sim O15 \\sim O2 \\sim O17: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
Uanis(O5) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O11) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O19) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O7) \\sim Ueq, Uanis(N3) \\sim Ueq, Uanis(O3) \\sim Ueq, Uanis(O13) \\sim
Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N2) \\sim Ueq, Uanis(O15) \\sim Ueq, Uanis(O2) \\sim Ueq, Uanis(O17)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 N3, O3, O13, O7
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O13, N3, O3, O7
 with sigma for 1-2 distances of 0.0001 and sigma for 1-3 distances of 0.0002
 N2, O15, O2, O17
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O17, N2, O15, O2
 with sigma for 1-2 distances of 0.0001 and sigma for 1-3 distances of 0.0002
6. Others
 Fixed Sof: N3(0.5) O3(0.5) O13(0.5) O7(0.5) N2(0.5) O15(0.5) O2(0.5) O17(0.5)
 O5(0.5) H5C(0.5) H5D(0.5) O9(0.5) H9C(0.5) H9D(0.5) O11(0.5) H11C(0.5)
 H11D(0.5) O19(0.5) H19A(0.5) H19B(0.5)
7.a Riding coordinates:
 O18(H18A,H18B), O5(H5C,H5D), O9(H9C,H9D), O11(H11C,H11D), O19(H19A,H19B)
7.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C5(H5A,H5B), C11(H11A,H11B), C23(H23A,H23B)
7.c Aromatic/amide H refined with riding coordinates:
 C8(H8), C14(H14), C18(H18), C22(H22), C24(H24), C3(H3), C13(H13), C7(H7),
 C2(H2), C17(H17), C19(H19), C21(H21)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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 0.58196(2) 0.53489(2) 0.39992(2) 0.02278(10) Uani 1 1 d . . . . .
O1 O 0.6278(2) 0.49585(18) 0.50406(14) 0.0441(7) Uani 1 1 d . . . . .
O4 O 0.7445(2) 0.93036(16) 0.89752(13) 0.0359(6) Uani 1 1 d . . . . .
O6 O 0.4927(2) 0.96624(14) 0.19274(14) 0.0379(7) Uani 1 1 d . . . . .
O8 O 0.4829(2) 0.91464(15) 0.09304(14) 0.0408(7) Uani 1 1 d . . . . .
O10 O 0.5853(2) 0.62214(16) 0.32031(16) 0.0421(7) Uani 1 1 d . . . . .
O12 O 0.57398(19) 0.43635(19) 0.59129(16) 0.0427(7) Uani 1 1 d . . . . .
O14 O 0.6743(2) 0.59913(16) 0.23174(17) 0.0498(8) Uani 1 1 d . . . . .
O16 O 0.7049(2) 1.03389(14) 0.85234(16) 0.0408(7) Uani 1 1 d . . . . .
N1 N 0.8799(2) 0.8636(2) 0.79480(18) 0.0367(8) Uani 1 1 d . . . . .
O18 O 0.5783(2) 0.63708(19) 0.47328(19) 0.0556(9) Uani 1 1 d . . . . .
H18A H 0.538396 0.667006 0.459071 0.083 Uiso 1 1 d R U . . .
H18B H 0.628756 0.660006 0.470511 0.083 Uiso 1 1 d R U . . .
N4 N 0.8009(2) 0.5566(2) 0.60012(18) 0.0391(8) Uani 1 1 d . . . . .
C1 C 0.5405(3) 0.84313(19) 0.18370(18) 0.0274(7) Uani 1 1 d . . . . .
C4 C 0.5963(2) 0.71096(19) 0.23664(18) 0.0258(7) Uani 1 1 d . . . . .
C6 C 0.6382(3) 0.45815(18) 0.55503(18) 0.0264(8) Uani 1 1 d . . . . .
C8 C 0.5488(3) 0.8341(2) 0.2530(2) 0.0312(8) Uani 1 1 d . . . . .
H8 H 0.536831 0.873406 0.282494 0.037 Uiso 1 1 calc R U . . .
C10 C 0.5041(3) 0.9122(2) 0.15573(19) 0.0303(8) Uani 1 1 d . . . . .
C12 C 0.7629(3) 0.9843(2) 0.8616(2) 0.0340(8) Uani 1 1 d . . . . .
C14 C 0.5915(3) 0.7210(2) 0.1672(2) 0.0327(8) Uani 1 1 d . . . . .
H14 H 0.608479 0.682955 0.137565 0.039 Uiso 1 1 calc R U . . .
C16 C 0.8122(3) 0.6794(2) 0.6785(2) 0.0381(9) Uani 1 1 d . . . . .
C18 C 0.5747(3) 0.7678(2) 0.2795(2) 0.0314(8) Uani 1 1 d . . . . .
H18 H 0.577543 0.761312 0.327038 0.038 Uiso 1 1 calc R U . . .
C20 C 0.6222(3) 0.63766(19) 0.2641(2) 0.0299(8) Uani 1 1 d . . . . .
C22 C 0.8187(3) 0.7462(3) 0.7888(2) 0.0436(10) Uani 1 1 d . . . . .
H22 H 0.793017 0.705549 0.811091 0.052 Uiso 1 1 calc R U . . .
C24 C 0.8188(3) 0.5512(3) 0.6667(2) 0.0457(11) Uani 1 1 d . . . . .
H24 H 0.828298 0.504960 0.686185 0.055 Uiso 1 1 calc R U . . .
C3 C 0.5621(3) 0.7862(2) 0.1411(2) 0.0348(9) Uani 1 1 d . . . . .
H3 H 0.556568 0.791975 0.093582 0.042 Uiso 1 1 calc R U . . .
C13 C 0.7890(3) 0.6824(3) 0.6103(2) 0.0467(11) Uani 1 1 d . . . . .
H13 H 0.776656 0.727806 0.589925 0.056 Uiso 1 1 calc R U . . .
C7 C 0.8448(3) 0.8051(3) 0.8257(2) 0.0461(11) Uani 1 1 d . . . . .
H7 H 0.838029 0.804795 0.873486 0.055 Uiso 1 1 calc R U . . .
C15 C 0.8293(3) 0.7451(2) 0.7189(2) 0.0370(9) Uani 1 1 d . . . . .
C2 C 0.8876(3) 0.8655(2) 0.7275(2) 0.0367(9) Uani 1 1 d . . . . .
H2 H 0.909968 0.907820 0.706151 0.044 Uiso 1 1 calc R U . . .
C17 C 0.8234(3) 0.6114(2) 0.7066(2) 0.0459(11) Uani 1 1 d . . . . .
H17 H 0.834259 0.606561 0.753737 0.055 Uiso 1 1 calc R U . . .
C9 C 0.7343(3) 0.4356(2) 0.5744(2) 0.0389(9) Uani 1 1 d . . . . .
H9A H 0.736185 0.426414 0.623627 0.047 Uiso 1 1 calc R U . . .
H9B H 0.748984 0.389699 0.551157 0.047 Uiso 1 1 calc R U . . .
C19 C 0.7839(3) 0.6206(3) 0.5720(2) 0.0459(11) Uani 1 1 d . . . . .
H19 H 0.768213 0.623527 0.525459 0.055 Uiso 1 1 calc R U . . .
C5 C 0.9150(3) 0.9252(3) 0.8346(3) 0.0470(11) Uani 1 1 d . . . . .
H5A H 0.977393 0.937101 0.818793 0.056 Uiso 1 1 calc R U . . .
H5B H 0.919317 0.910714 0.882650 0.056 Uiso 1 1 calc R U . . .
C21 C 0.8636(3) 0.8073(2) 0.6890(2) 0.0391(9) Uani 1 1 d . . . . .
H21 H 0.870432 0.809465 0.641267 0.047 Uiso 1 1 calc R U . . .
C11 C 0.8553(3) 0.9921(3) 0.8291(2) 0.0455(11) Uani 1 1 d . . . . .
H11A H 0.887633 1.033101 0.850474 0.055 Uiso 1 1 calc R U . . .
H11B H 0.846762 1.003898 0.780749 0.055 Uiso 1 1 calc R U . . .
C23 C 0.8068(3) 0.4907(3) 0.5569(3) 0.0449(10) Uani 1 1 d . . . . .
H23A H 0.867893 0.468468 0.562471 0.054 Uiso 1 1 calc R U . . .
H23B H 0.800103 0.504755 0.508879 0.054 Uiso 1 1 calc R U . . .
N3 N 0.5235(13) 0.8868(11) 0.4751(10) 0.184(4) Uani 0.5 1 d D U P A 1
O3 O 0.4969(15) 0.8412(12) 0.5151(12) 0.204(5) Uani 0.5 1 d D U P A 1
O13 O 0.5948(13) 0.8724(12) 0.4466(12) 0.200(4) Uani 0.5 1 d D U P A 1
O7 O 0.4916(14) 0.9467(10) 0.4699(12) 0.198(5) Uani 0.5 1 d D U P A 1
N2 N 0.5083(13) 0.8466(11) 0.4697(9) 0.170(4) Uani 0.5 1 d D U P B 2
O15 O 0.5309(19) 0.7841(11) 0.4593(11) 0.233(6) Uani 0.5 1 d D U P B 2
O2 O 0.4513(11) 0.8561(11) 0.5139(7) 0.147(3) Uani 0.5 1 d D U P B 2
O17 O 0.5152(12) 0.8875(10) 0.4225(9) 0.160(4) Uani 0.5 1 d D U P B 2
O5 O 0.9084(9) 0.7824(8) 0.5112(8) 0.131(5) Uani 0.5 1 d . U P C 1
H5C H 0.883862 0.740248 0.504427 0.197 Uiso 0.5 1 d R U P C 1
H5D H 0.952682 0.774238 0.539507 0.197 Uiso 0.5 1 d R U P C 1
O9 O 0.6866(9) 0.7578(5) 0.4680(8) 0.134(5) Uani 0.5 1 d . . P D 2
H9C H 0.723626 0.789571 0.450781 0.201 Uiso 0.5 1 d R U P D 2
H9D H 0.635547 0.781141 0.473731 0.201 Uiso 0.5 1 d R U P D 2
O11 O 0.8625(7) 0.7997(6) 0.4677(6) 0.091(3) Uani 0.5 1 d . U P E 2
H11C H 0.889957 0.763494 0.486989 0.137 Uiso 0.5 1 d R U P E 2
H11D H 0.906747 0.827484 0.453999 0.137 Uiso 0.5 1 d R U P E 2
O19 O 0.7707(12) 0.8312(9) 0.4266(9) 0.169(6) Uani 0.5 1 d . U P F 1
H19A H 0.813777 0.815709 0.453212 0.254 Uiso 0.5 1 d R U P F 1
H19B H 0.722397 0.833039 0.452092 0.254 Uiso 0.5 1 d R U P F 1


_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 O1 2.285(3) . ?
Tb1 O4 2.465(3) 7_575 ?
Tb1 O6 2.485(3) 3_645 ?
Tb1 O8 2.427(3) 3_645 ?
Tb1 O10 2.258(3) . ?
Tb1 O12 2.350(3) 5_666 ?
Tb1 O16 2.398(3) 7_575 ?
Tb1 O18 2.387(3) . ?
Tb1 C10 2.823(4) 3_645 ?
Tb1 C12 2.778(4) 7_575 ?
O1 C6 1.236(5) . ?
O4 C12 1.256(5) . ?
O6 C10 1.252(5) . ?
O8 C10 1.279(5) . ?
O10 C20 1.269(5) . ?
O12 C6 1.249(5) . ?
O14 C20 1.226(5) . ?
O16 C12 1.265(5) . ?
N1 C7 1.347(6) . ?
N1 C2 1.337(5) . ?
N1 C5 1.478(6) . ?
O18 H18A 0.8528 . ?
O18 H18B 0.8544 . ?
N4 C24 1.346(6) . ?
N4 C19 1.335(6) . ?
N4 C23 1.494(6) . ?
C1 C8 1.387(5) . ?
C1 C10 1.493(5) . ?
C1 C3 1.388(5) . ?
C4 C14 1.388(5) . ?
C4 C18 1.389(5) . ?
C4 C20 1.512(5) . ?
C6 C9 1.517(5) . ?
C8 H8 0.9500 . ?
C8 C18 1.388(5) . ?
C12 C11 1.504(6) . ?
C14 H14 0.9500 . ?
C14 C3 1.383(6) . ?
C16 C13 1.392(6) . ?
C16 C15 1.478(7) . ?
C16 C17 1.388(6) . ?
C18 H18 0.9500 . ?
C22 H22 0.9500 . ?
C22 C7 1.369(7) . ?
C22 C15 1.392(6) . ?
C24 H24 0.9500 . ?
C24 C17 1.369(7) . ?
C3 H3 0.9500 . ?
C13 H13 0.9500 . ?
C13 C19 1.376(7) . ?
C7 H7 0.9500 . ?
C15 C21 1.391(6) . ?
C2 H2 0.9500 . ?
C2 C21 1.365(6) . ?
C17 H17 0.9500 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C23 1.513(6) . ?
C19 H19 0.9500 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C11 1.522(7) . ?
C21 H21 0.9500 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
N3 O3 1.221(13) . ?
N3 O13 1.216(13) . ?
N3 O7 1.209(13) . ?
N2 O15 1.223(12) . ?
N2 O2 1.222(12) . ?
N2 O17 1.207(12) . ?
O5 H5C 0.8699 . ?
O5 H5D 0.8702 . ?
O9 H9C 0.8699 . ?
O9 H9D 0.8700 . ?
O11 H11C 0.8701 . ?
O11 H11D 0.8702 . ?
O19 H19A 0.8699 . ?
O19 H19B 0.8700 . ?

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 O4 79.44(10) . 7_575 ?
O1 Tb1 O6 129.23(10) . 3_645 ?
O1 Tb1 O8 76.84(11) . 3_645 ?
O1 Tb1 O12 106.88(11) . 5_666 ?
O1 Tb1 O16 88.01(11) . 7_575 ?
O1 Tb1 O18 73.12(13) . . ?
O1 Tb1 C10 103.16(11) . 3_645 ?
O1 Tb1 C12 85.72(11) . 7_575 ?
O4 Tb1 O6 122.95(10) 7_575 3_645 ?
O4 Tb1 C10 129.30(10) 7_575 3_645 ?
O4 Tb1 C12 26.87(11) 7_575 7_575 ?
O6 Tb1 C10 26.30(10) 3_645 3_645 ?
O6 Tb1 C12 98.77(11) 3_645 7_575 ?
O8 Tb1 O4 128.23(11) 3_645 7_575 ?
O8 Tb1 O6 53.12(9) 3_645 3_645 ?
O8 Tb1 C10 26.87(10) 3_645 3_645 ?
O8 Tb1 C12 105.74(12) 3_645 7_575 ?
O10 Tb1 O1 148.18(12) . . ?
O10 Tb1 O4 77.22(10) . 7_575 ?
O10 Tb1 O6 82.03(11) . 3_645 ?
O10 Tb1 O8 134.92(11) . 3_645 ?
O10 Tb1 O12 84.83(10) . 5_666 ?
O10 Tb1 O16 95.21(11) . 7_575 ?
O10 Tb1 O18 81.74(14) . . ?
O10 Tb1 C10 108.32(12) . 3_645 ?
O10 Tb1 C12 83.16(11) . 7_575 ?
O12 Tb1 O4 151.57(12) 5_666 7_575 ?
O12 Tb1 O6 75.15(12) 5_666 3_645 ?
O12 Tb1 O8 79.86(12) 5_666 3_645 ?
O12 Tb1 O16 151.46(12) 5_666 7_575 ?
O12 Tb1 O18 75.70(13) 5_666 . ?
O12 Tb1 C10 77.19(12) 5_666 3_645 ?
O12 Tb1 C12 167.21(11) 5_666 7_575 ?
O16 Tb1 O4 53.63(10) 7_575 7_575 ?
O16 Tb1 O6 76.60(11) 7_575 3_645 ?
O16 Tb1 O8 80.10(11) 7_575 3_645 ?
O16 Tb1 C10 75.73(10) 7_575 3_645 ?
O16 Tb1 C12 27.02(11) 7_575 7_575 ?
O18 Tb1 O4 80.00(11) . 7_575 ?
O18 Tb1 O6 147.68(11) . 3_645 ?
O18 Tb1 O8 133.24(12) . 3_645 ?
O18 Tb1 O16 132.65(11) . 7_575 ?
O18 Tb1 C10 150.03(12) . 3_645 ?
O18 Tb1 C12 106.81(12) . 7_575 ?
C12 Tb1 C10 102.46(12) 7_575 3_645 ?
C6 O1 Tb1 162.0(3) . . ?
C12 O4 Tb1 90.6(2) . 7_576 ?
C10 O6 Tb1 92.1(2) . 3_655 ?
C10 O8 Tb1 94.1(2) . 3_655 ?
C20 O10 Tb1 141.5(3) . . ?
C6 O12 Tb1 134.4(3) . 5_666 ?
C12 O16 Tb1 93.5(2) . 7_576 ?
C7 N1 C5 120.8(4) . . ?
C2 N1 C7 120.4(4) . . ?
C2 N1 C5 118.8(4) . . ?
Tb1 O18 H18A 109.3 . . ?
Tb1 O18 H18B 109.6 . . ?
H18A O18 H18B 104.3 . . ?
C24 N4 C23 119.2(4) . . ?
C19 N4 C24 120.7(4) . . ?
C19 N4 C23 119.9(4) . . ?
C8 C1 C10 120.1(3) . . ?
C8 C1 C3 119.2(3) . . ?
C3 C1 C10 120.6(3) . . ?
C14 C4 C18 119.4(3) . . ?
C14 C4 C20 119.3(3) . . ?
C18 C4 C20 121.3(3) . . ?
O1 C6 O12 124.0(4) . . ?
O1 C6 C9 118.4(4) . . ?
O12 C6 C9 117.6(3) . . ?
C1 C8 H8 119.9 . . ?
C1 C8 C18 120.3(4) . . ?
C18 C8 H8 119.9 . . ?
O6 C10 Tb1 61.6(2) . 3_655 ?
O6 C10 O8 120.4(3) . . ?
O6 C10 C1 121.1(3) . . ?
O8 C10 Tb1 59.03(19) . 3_655 ?
O8 C10 C1 118.4(3) . . ?
C1 C10 Tb1 174.0(3) . 3_655 ?
O4 C12 Tb1 62.5(2) . 7_576 ?
O4 C12 O16 121.1(4) . . ?
O4 C12 C11 120.8(4) . . ?
O16 C12 Tb1 59.5(2) . 7_576 ?
O16 C12 C11 118.1(4) . . ?
C11 C12 Tb1 170.4(3) . 7_576 ?
C4 C14 H14 119.9 . . ?
C3 C14 C4 120.2(4) . . ?
C3 C14 H14 119.9 . . ?
C13 C16 C15 122.2(4) . . ?
C17 C16 C13 117.0(4) . . ?
C17 C16 C15 120.7(4) . . ?
C4 C18 H18 119.9 . . ?
C8 C18 C4 120.2(4) . . ?
C8 C18 H18 119.9 . . ?
O10 C20 C4 114.3(3) . . ?
O14 C20 O10 126.2(4) . . ?
O14 C20 C4 119.4(3) . . ?
C7 C22 H22 119.6 . . ?
C7 C22 C15 120.7(4) . . ?
C15 C22 H22 119.6 . . ?
N4 C24 H24 119.5 . . ?
N4 C24 C17 120.9(4) . . ?
C17 C24 H24 119.5 . . ?
C1 C3 H3 119.7 . . ?
C14 C3 C1 120.6(4) . . ?
C14 C3 H3 119.7 . . ?
C16 C13 H13 119.5 . . ?
C19 C13 C16 120.9(4) . . ?
C19 C13 H13 119.5 . . ?
N1 C7 C22 120.4(4) . . ?
N1 C7 H7 119.8 . . ?
C22 C7 H7 119.8 . . ?
C22 C15 C16 122.0(4) . . ?
C21 C15 C16 121.0(4) . . ?
C21 C15 C22 116.8(4) . . ?
N1 C2 H2 119.5 . . ?
N1 C2 C21 120.9(4) . . ?
C21 C2 H2 119.5 . . ?
C16 C17 H17 119.9 . . ?
C24 C17 C16 120.2(4) . . ?
C24 C17 H17 119.9 . . ?
C6 C9 H9A 108.7 . . ?
C6 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
C23 C9 C6 114.0(4) . . ?
C23 C9 H9A 108.7 . . ?
C23 C9 H9B 108.7 . . ?
N4 C19 C13 120.0(4) . . ?
N4 C19 H19 120.0 . . ?
C13 C19 H19 120.0 . . ?
N1 C5 H5A 109.0 . . ?
N1 C5 H5B 109.0 . . ?
N1 C5 C11 113.1(4) . . ?
H5A C5 H5B 107.8 . . ?
C11 C5 H5A 109.0 . . ?
C11 C5 H5B 109.0 . . ?
C15 C21 H21 119.7 . . ?
C2 C21 C15 120.7(4) . . ?
C2 C21 H21 119.7 . . ?
C12 C11 C5 114.1(4) . . ?
C12 C11 H11A 108.7 . . ?
C12 C11 H11B 108.7 . . ?
C5 C11 H11A 108.7 . . ?
C5 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
N4 C23 C9 112.4(4) . . ?
N4 C23 H23A 109.1 . . ?
N4 C23 H23B 109.1 . . ?
C9 C23 H23A 109.1 . . ?
C9 C23 H23B 109.1 . . ?
H23A C23 H23B 107.9 . . ?
O13 N3 O3 115.0(18) . . ?
O7 N3 O3 124.6(19) . . ?
O7 N3 O13 119.5(19) . . ?
O2 N2 O15 116.1(17) . . ?
O17 N2 O15 116.3(17) . . ?
O17 N2 O2 121.4(17) . . ?
H5C O5 H5D 104.5 . . ?
H9C O9 H9D 104.5 . . ?
H11C O11 H11D 104.5 . . ?
H19A O19 H19B 104.5 . . ?

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 C6 O12 -59.1(11) . . . . ?
Tb1 O1 C6 C9 119.7(9) . . . . ?
Tb1 O4 C12 O16 11.1(4) 7_576 . . . ?
Tb1 O4 C12 C11 -169.7(4) 7_576 . . . ?
Tb1 O6 C10 O8 4.8(4) 3_655 . . . ?
Tb1 O6 C10 C1 -173.8(3) 3_655 . . . ?
Tb1 O8 C10 O6 -4.9(4) 3_655 . . . ?
Tb1 O8 C10 C1 173.7(3) 3_655 . . . ?
Tb1 O10 C20 O14 3.1(7) . . . . ?
Tb1 O10 C20 C4 -177.5(3) . . . . ?
Tb1 O12 C6 O1 -12.7(6) 5_666 . . . ?
Tb1 O12 C6 C9 168.5(3) 5_666 . . . ?
Tb1 O16 C12 O4 -11.4(4) 7_576 . . . ?
Tb1 O16 C12 C11 169.3(3) 7_576 . . . ?
O1 C6 C9 C23 32.8(5) . . . . ?
O4 C12 C11 C5 9.3(6) . . . . ?
O12 C6 C9 C23 -148.3(4) . . . . ?
O16 C12 C11 C5 -171.5(4) . . . . ?
N1 C2 C21 C15 1.0(6) . . . . ?
N1 C5 C11 C12 67.7(5) . . . . ?
N4 C24 C17 C16 -1.8(7) . . . . ?
C1 C8 C18 C4 2.9(6) . . . . ?
C4 C14 C3 C1 2.6(6) . . . . ?
C6 C9 C23 N4 69.9(5) . . . . ?
C8 C1 C10 O6 10.2(6) . . . . ?
C8 C1 C10 O8 -168.5(4) . . . . ?
C8 C1 C3 C14 0.0(6) . . . . ?
C10 C1 C8 C18 174.1(4) . . . . ?
C10 C1 C3 C14 -176.8(4) . . . . ?
C14 C4 C18 C8 -0.3(6) . . . . ?
C14 C4 C20 O10 -148.0(4) . . . . ?
C14 C4 C20 O14 31.4(6) . . . . ?
C16 C13 C19 N4 0.2(7) . . . . ?
C16 C15 C21 C2 -173.6(4) . . . . ?
C18 C4 C14 C3 -2.4(6) . . . . ?
C18 C4 C20 O10 30.1(5) . . . . ?
C18 C4 C20 O14 -150.5(4) . . . . ?
C20 C4 C14 C3 175.7(4) . . . . ?
C20 C4 C18 C8 -178.3(3) . . . . ?
C22 C15 C21 C2 1.7(6) . . . . ?
C24 N4 C19 C13 3.3(7) . . . . ?
C24 N4 C23 C9 66.4(5) . . . . ?
C3 C1 C8 C18 -2.8(6) . . . . ?
C3 C1 C10 O6 -173.0(4) . . . . ?
C3 C1 C10 O8 8.3(6) . . . . ?
C13 C16 C15 C22 155.5(4) . . . . ?
C13 C16 C15 C21 -29.4(6) . . . . ?
C13 C16 C17 C24 5.1(7) . . . . ?
C7 N1 C2 C21 -2.8(6) . . . . ?
C7 N1 C5 C11 -109.8(5) . . . . ?
C7 C22 C15 C16 172.6(4) . . . . ?
C7 C22 C15 C21 -2.7(6) . . . . ?
C15 C16 C13 C19 172.4(4) . . . . ?
C15 C16 C17 C24 -171.6(4) . . . . ?
C15 C22 C7 N1 1.0(7) . . . . ?
C2 N1 C7 C22 1.8(6) . . . . ?
C2 N1 C5 C11 73.2(5) . . . . ?
C17 C16 C13 C19 -4.3(7) . . . . ?
C17 C16 C15 C22 -28.0(6) . . . . ?
C17 C16 C15 C21 147.1(4) . . . . ?
C19 N4 C24 C17 -2.5(7) . . . . ?
C19 N4 C23 C9 -117.9(4) . . . . ?
C5 N1 C7 C22 -175.2(4) . . . . ?
C5 N1 C2 C21 174.2(4) . . . . ?
C23 N4 C24 C17 173.2(4) . . . . ?
C23 N4 C19 C13 -172.4(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.394
_oxdiff_exptl_absorpt_empirical_full_min 0.713
