# Supplementary Information (SI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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. 
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data_CUST-923
_audit_block_doi                 10.5517/ccdc.csd.cc2l2kkt
_database_code_depnum_ccdc_archive 'CCDC 2385746'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/D5CE00382B 2025
loop_
_audit_author_name
_audit_author_address
'Yang Lin'
;Changchun University of Science and Technology
China
;
_audit_update_record             
;
2024-11-12 deposited with the CCDC.	2025-06-20 downloaded from the CCDC.
;
_audit_creation_date             2024-11-06
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H11 N3 O11 Tb'
_chemical_formula_sum            'C23 H13 N3 O11 Tb'
_chemical_formula_weight         666.28
_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 0.0033 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'

_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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'

_cell_length_a                   28.4888(14)
_cell_length_b                   10.0261(4)
_cell_length_c                   27.1521(13)
_cell_angle_alpha                90
_cell_angle_beta                 118.885(2)
_cell_angle_gamma                90
_cell_volume                     6790.6(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9951
_cell_measurement_temperature    298.04
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      2.49
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.131
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2600
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0754
_diffrn_reflns_av_unetI/netI     0.0389
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            43793
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.171
_diffrn_reflns_theta_max         25.171
_diffrn_reflns_theta_min         3.001
_diffrn_ambient_temperature      298.04
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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_source                   ?
_diffrn_source_current           0.9
_diffrn_source_power             0.0405
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4861
_reflns_number_total             6027
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_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    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.385
_refine_diff_density_min         -0.620
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6027
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0390
_refine_ls_restrained_S_all      1.082
_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)+(0.0463P)²+44.3884P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0948
_refine_ls_wR_factor_ref         0.1001
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O5) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
3.a Aromatic/amide H refined with riding coordinates:
 N2(H2), N3(H3), C2(H2A), C3(H3A), C8(H8), C10(H10), C12(H12), C14(H14),
 C20(H20), C22(H22), C23(H23)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.44044(2) -0.06454(2) 0.33064(2) 0.01942(10) Uani 1 1 d . . . . .
O1 O 0.38001(15) -0.0579(4) 0.36228(15) 0.0283(9) Uani 1 1 d . . . . .
O2 O 0.38209(19) 0.2122(4) 0.75753(16) 0.0423(12) Uani 1 1 d . . . . .
O3 O 0.37603(16) 0.9240(4) 0.75591(16) 0.0339(10) Uani 1 1 d . . . . .
O4 O 0.43459(18) 0.8260(4) 0.83311(17) 0.0435(12) Uani 1 1 d . . . . .
O6 O 0.3060(2) 0.0644(5) 0.31870(17) 0.0563(14) Uani 1 1 d . . . . .
O7 O 0.43085(19) 0.3125(4) 0.83648(16) 0.0469(13) Uani 1 1 d . . . . .
N1 N 0.24160(17) 0.5056(4) 0.50207(17) 0.0224(10) Uani 1 1 d . . . . .
O8 O 0.50019(19) 0.0300(6) 0.57020(18) 0.0624(16) Uani 1 1 d . . . . .
N2 N 0.28646(19) 0.5578(4) 0.61158(18) 0.0285(11) Uani 1 1 d . . . . .
H2 H 0.292831 0.493625 0.594638 0.034 Uiso 1 1 calc R U . . .
O9 O 0.2298(2) 0.7315(5) 0.59648(18) 0.0562(14) Uani 1 1 d . . . . .
C1 C 0.3752(2) 0.6879(5) 0.7555(2) 0.0222(11) Uani 1 1 d . . . . .
N3 N 0.29073(18) 0.3212(5) 0.47147(18) 0.0296(11) Uani 1 1 d . . . . .
H3 H 0.300254 0.351978 0.504538 0.036 Uiso 1 1 calc R U . . .
O10 O 0.4681(2) 0.1389(7) 0.61441(19) 0.079(2) Uani 1 1 d . . . . .
O11 O 0.22295(18) 0.3283(5) 0.38139(17) 0.0502(13) Uani 1 1 d . . . . .
C2 C 0.3942(2) 0.5699(5) 0.7845(2) 0.0247(12) Uani 1 1 d . . . . .
H2A H 0.419027 0.571437 0.822671 0.030 Uiso 1 1 calc R U . . .
C3 C 0.3374(2) 0.6860(5) 0.6983(2) 0.0239(12) Uani 1 1 d . . . . .
H3A H 0.323715 0.765499 0.678979 0.029 Uiso 1 1 calc R U . . .
C4 C 0.4623(2) 0.0929(6) 0.5696(2) 0.0272(13) Uani 1 1 d . . . . .
C5 C 0.3265(2) 0.2290(5) 0.4674(2) 0.0234(12) Uani 1 1 d . . . . .
C6 C 0.3563(2) 0.0852(5) 0.4173(2) 0.0243(12) Uani 1 1 d . . . . .
C7 C 0.3961(2) 0.8180(5) 0.7836(2) 0.0227(12) Uani 1 1 d . . . . .
C8 C 0.3736(2) 0.2000(6) 0.5170(2) 0.0278(13) Uani 1 1 d . . . . .
H8 H 0.379636 0.237680 0.550856 0.033 Uiso 1 1 calc R U . . .
C9 C 0.3459(2) 0.0267(6) 0.3618(2) 0.0285(13) Uani 1 1 d . . . . .
C10 C 0.3177(2) 0.1679(5) 0.4176(2) 0.0257(12) Uani 1 1 d . . . . .
H10 H 0.285824 0.182858 0.384580 0.031 Uiso 1 1 calc R U . . .
C11 C 0.3203(2) 0.5647(5) 0.6704(2) 0.0225(11) Uani 1 1 d . . . . .
C12 C 0.4034(2) 0.0584(6) 0.4657(2) 0.0274(12) Uani 1 1 d . . . . .
H12 H 0.429367 0.003397 0.464936 0.033 Uiso 1 1 calc R U . . .
C13 C 0.3764(2) 0.4485(5) 0.7568(2) 0.0253(12) Uani 1 1 d . . . . .
C14 C 0.3393(2) 0.4462(5) 0.6996(2) 0.0268(12) Uani 1 1 d . . . . .
H14 H 0.327249 0.365138 0.681086 0.032 Uiso 1 1 calc R U . . .
C15 C 0.3973(2) 0.3181(5) 0.7855(2) 0.0246(12) Uani 1 1 d . . . . .
C16 C 0.2182(2) 0.4733(5) 0.4477(2) 0.0249(12) Uani 1 1 d . . . . .
C17 C 0.2442(2) 0.3660(6) 0.4303(2) 0.0291(13) Uani 1 1 d . . . . .
C18 C 0.2190(2) 0.6032(5) 0.5173(2) 0.0254(12) Uani 1 1 d . . . . .
C19 C 0.4112(2) 0.1158(6) 0.5158(2) 0.0266(12) Uani 1 1 d . . . . .
C20 C 0.1717(3) 0.5355(7) 0.4070(2) 0.0405(16) Uani 1 1 d . . . . .
H20 H 0.156050 0.509501 0.369537 0.049 Uiso 1 1 calc R U . . .
C21 C 0.2459(2) 0.6383(6) 0.5790(2) 0.0313(14) Uani 1 1 d . . . . .
C22 C 0.1735(3) 0.6709(7) 0.4792(3) 0.0409(16) Uani 1 1 d . . . . .
H22 H 0.159373 0.739220 0.491206 0.049 Uiso 1 1 calc R U . . .
C23 C 0.1495(3) 0.6356(8) 0.4234(3) 0.0491(19) Uani 1 1 d . . . . .
H23 H 0.118679 0.679099 0.397151 0.059 Uiso 1 1 calc R U . . .
O5 O 0.4806(2) -0.0350(6) 0.2744(2) 0.0724(16) Uani 1 1 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
Tb1 O1 2.266(4) . ?
Tb1 O2 2.389(4) 6 ?
Tb1 O3 2.424(4) 6_565 ?
Tb1 O4 2.401(4) 6_565 ?
Tb1 O7 2.515(4) 6 ?
Tb1 O8 2.414(4) 5_656 ?
Tb1 O10 2.412(5) 5_656 ?
Tb1 C4 2.801(5) 5_656 ?
Tb1 C7 2.789(5) 6_565 ?
Tb1 C15 2.833(5) 6 ?
Tb1 O5 2.328(6) . ?
O1 C9 1.286(7) . ?
O2 C15 1.254(6) . ?
O3 C7 1.267(6) . ?
O4 C7 1.262(6) . ?
O6 C9 1.233(7) . ?
O7 C15 1.248(6) . ?
N1 C16 1.334(7) . ?
N1 C18 1.341(7) . ?
O8 C4 1.243(7) . ?
N2 H2 0.8600 . ?
N2 C11 1.413(6) . ?
N2 C21 1.335(7) . ?
O9 C21 1.233(7) . ?
C1 C2 1.380(7) . ?
C1 C3 1.399(7) . ?
C1 C7 1.483(7) . ?
N3 H3 0.8600 . ?
N3 C5 1.419(7) . ?
N3 C17 1.332(7) . ?
O10 C4 1.235(7) . ?
O11 C17 1.224(7) . ?
C2 H2A 0.9300 . ?
C2 C13 1.391(7) . ?
C3 H3A 0.9300 . ?
C3 C11 1.390(7) . ?
C4 C19 1.501(7) . ?
C5 C8 1.399(7) . ?
C5 C10 1.392(7) . ?
C6 C9 1.507(7) . ?
C6 C10 1.380(7) . ?
C6 C12 1.377(8) . ?
C8 H8 0.9300 . ?
C8 C19 1.376(8) . ?
C10 H10 0.9300 . ?
C11 C14 1.386(7) . ?
C12 H12 0.9300 . ?
C12 C19 1.392(7) . ?
C13 C14 1.395(7) . ?
C13 C15 1.490(7) . ?
C14 H14 0.9300 . ?
C16 C17 1.504(8) . ?
C16 C20 1.397(8) . ?
C18 C21 1.508(7) . ?
C18 C22 1.385(8) . ?
C20 H20 0.9300 . ?
C20 C23 1.369(9) . ?
C22 H22 0.9300 . ?
C22 C23 1.374(9) . ?
C23 H23 0.9300 . ?

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 O2 88.98(15) . 6 ?
O1 Tb1 O3 83.89(14) . 6_565 ?
O1 Tb1 O4 83.35(15) . 6_565 ?
O1 Tb1 O7 83.09(15) . 6 ?
O1 Tb1 O8 79.88(16) . 5_656 ?
O1 Tb1 O10 124.51(16) . 5_656 ?
O1 Tb1 C4 102.37(15) . 5_656 ?
O1 Tb1 C7 83.61(15) . 6_565 ?
O1 Tb1 C15 86.55(15) . 6 ?
O1 Tb1 O5 161.66(18) . . ?
O2 Tb1 O3 73.93(13) 6 6_565 ?
O2 Tb1 O4 127.64(14) 6 6_565 ?
O2 Tb1 O7 52.15(13) 6 6 ?
O2 Tb1 O8 147.87(18) 6 5_656 ?
O2 Tb1 O10 115.64(18) 6 5_656 ?
O2 Tb1 C4 134.97(15) 6 5_656 ?
O2 Tb1 C7 100.91(14) 6 6_565 ?
O2 Tb1 C15 26.06(14) 6 6 ?
O3 Tb1 O7 124.50(13) 6_565 6 ?
O3 Tb1 C4 149.78(15) 6_565 5_656 ?
O3 Tb1 C7 26.99(14) 6_565 6_565 ?
O3 Tb1 C15 99.47(14) 6_565 6 ?
O4 Tb1 O3 53.80(13) 6_565 6_565 ?
O4 Tb1 O7 166.45(17) 6_565 6 ?
O4 Tb1 O8 81.19(17) 6_565 5_656 ?
O4 Tb1 O10 111.1(2) 6_565 5_656 ?
O4 Tb1 C4 97.12(15) 6_565 5_656 ?
O4 Tb1 C7 26.83(14) 6_565 6_565 ?
O4 Tb1 C15 152.22(15) 6_565 6 ?
O7 Tb1 C4 85.72(15) 6 5_656 ?
O7 Tb1 C7 150.02(15) 6 6_565 ?
O7 Tb1 C15 26.12(13) 6 6 ?
O8 Tb1 O3 133.59(15) 5_656 6_565 ?
O8 Tb1 O7 96.34(17) 5_656 6 ?
O8 Tb1 C4 26.27(15) 5_656 5_656 ?
O8 Tb1 C7 107.58(17) 5_656 6_565 ?
O8 Tb1 C15 122.36(18) 5_656 6 ?
O10 Tb1 O3 148.5(2) 5_656 6_565 ?
O10 Tb1 O7 76.9(2) 5_656 6 ?
O10 Tb1 O8 52.33(15) 5_656 5_656 ?
O10 Tb1 C4 26.07(15) 5_656 5_656 ?
O10 Tb1 C7 132.2(2) 5_656 6_565 ?
O10 Tb1 C15 96.0(2) 5_656 6 ?
C4 Tb1 C15 110.32(16) 5_656 6 ?
C7 Tb1 C4 123.41(16) 6_565 5_656 ?
C7 Tb1 C15 126.25(15) 6_565 6 ?
O5 Tb1 O2 84.20(19) . 6 ?
O5 Tb1 O3 77.86(18) . 6_565 ?
O5 Tb1 O4 87.37(19) . 6_565 ?
O5 Tb1 O7 105.67(19) . 6 ?
O5 Tb1 O8 114.3(2) . 5_656 ?
O5 Tb1 O10 73.7(2) . 5_656 ?
O5 Tb1 C4 94.44(19) . 5_656 ?
O5 Tb1 C7 81.01(18) . 6_565 ?
O5 Tb1 C15 94.51(19) . 6 ?
C9 O1 Tb1 136.5(4) . . ?
C15 O2 Tb1 97.1(3) . 6_556 ?
C7 O3 Tb1 92.8(3) . 6_566 ?
C7 O4 Tb1 94.0(3) . 6_566 ?
C15 O7 Tb1 91.3(3) . 6_556 ?
C16 N1 C18 117.5(4) . . ?
C4 O8 Tb1 94.5(3) . 5_656 ?
C11 N2 H2 115.9 . . ?
C21 N2 H2 115.9 . . ?
C21 N2 C11 128.2(5) . . ?
C2 C1 C3 120.1(5) . . ?
C2 C1 C7 120.7(5) . . ?
C3 C1 C7 119.1(5) . . ?
C5 N3 H3 116.0 . . ?
C17 N3 H3 116.0 . . ?
C17 N3 C5 128.0(4) . . ?
C4 O10 Tb1 94.8(4) . 5_656 ?
C1 C2 H2A 120.0 . . ?
C1 C2 C13 120.1(5) . . ?
C13 C2 H2A 120.0 . . ?
C1 C3 H3A 120.1 . . ?
C11 C3 C1 119.8(5) . . ?
C11 C3 H3A 120.1 . . ?
O8 C4 Tb1 59.3(3) . 5_656 ?
O8 C4 C19 121.2(5) . . ?
O10 C4 Tb1 59.1(3) . 5_656 ?
O10 C4 O8 118.3(5) . . ?
O10 C4 C19 120.5(5) . . ?
C19 C4 Tb1 176.8(4) . 5_656 ?
C8 C5 N3 116.9(4) . . ?
C10 C5 N3 124.3(5) . . ?
C10 C5 C8 118.8(5) . . ?
C10 C6 C9 117.8(5) . . ?
C12 C6 C9 120.5(5) . . ?
C12 C6 C10 121.6(5) . . ?
O3 C7 Tb1 60.2(3) . 6_566 ?
O3 C7 C1 118.6(5) . . ?
O4 C7 Tb1 59.2(3) . 6_566 ?
O4 C7 O3 119.3(5) . . ?
O4 C7 C1 122.0(5) . . ?
C1 C7 Tb1 174.7(4) . 6_566 ?
C5 C8 H8 120.0 . . ?
C19 C8 C5 120.0(5) . . ?
C19 C8 H8 120.0 . . ?
O1 C9 C6 117.7(5) . . ?
O6 C9 O1 123.9(5) . . ?
O6 C9 C6 118.4(5) . . ?
C5 C10 H10 120.0 . . ?
C6 C10 C5 120.0(5) . . ?
C6 C10 H10 120.0 . . ?
C3 C11 N2 121.8(5) . . ?
C14 C11 N2 118.0(5) . . ?
C14 C11 C3 120.0(5) . . ?
C6 C12 H12 120.9 . . ?
C6 C12 C19 118.2(5) . . ?
C19 C12 H12 120.9 . . ?
C2 C13 C14 119.9(5) . . ?
C2 C13 C15 122.4(5) . . ?
C14 C13 C15 117.6(5) . . ?
C11 C14 C13 120.0(5) . . ?
C11 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
O2 C15 Tb1 56.8(3) . 6_556 ?
O2 C15 C13 119.5(5) . . ?
O7 C15 Tb1 62.6(3) . 6_556 ?
O7 C15 O2 119.3(5) . . ?
O7 C15 C13 121.1(5) . . ?
C13 C15 Tb1 173.6(4) . 6_556 ?
N1 C16 C17 117.5(5) . . ?
N1 C16 C20 122.8(5) . . ?
C20 C16 C17 119.7(5) . . ?
N3 C17 C16 114.8(5) . . ?
O11 C17 N3 125.2(5) . . ?
O11 C17 C16 120.0(5) . . ?
N1 C18 C21 116.8(5) . . ?
N1 C18 C22 122.8(5) . . ?
C22 C18 C21 120.3(5) . . ?
C8 C19 C4 118.0(5) . . ?
C8 C19 C12 121.3(5) . . ?
C12 C19 C4 120.6(5) . . ?
C16 C20 H20 120.6 . . ?
C23 C20 C16 118.8(6) . . ?
C23 C20 H20 120.6 . . ?
N2 C21 C18 114.0(5) . . ?
O9 C21 N2 124.5(5) . . ?
O9 C21 C18 121.4(5) . . ?
C18 C22 H22 120.5 . . ?
C23 C22 C18 119.1(6) . . ?
C23 C22 H22 120.5 . . ?
C20 C23 C22 119.0(6) . . ?
C20 C23 H23 120.5 . . ?
C22 C23 H23 120.5 . . ?

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 C9 O6 65.8(8) . . . . ?
Tb1 O1 C9 C6 -112.7(5) . . . . ?
Tb1 O2 C15 O7 -4.0(6) 6_556 . . . ?
Tb1 O2 C15 C13 173.8(4) 6_556 . . . ?
Tb1 O3 C7 O4 2.9(6) 6_566 . . . ?
Tb1 O3 C7 C1 -174.0(4) 6_566 . . . ?
Tb1 O4 C7 O3 -3.0(6) 6_566 . . . ?
Tb1 O4 C7 C1 173.9(5) 6_566 . . . ?
Tb1 O7 C15 O2 3.8(6) 6_556 . . . ?
Tb1 O7 C15 C13 -174.0(5) 6_556 . . . ?
Tb1 O8 C4 O10 -2.3(7) 5_656 . . . ?
Tb1 O8 C4 C19 176.3(5) 5_656 . . . ?
Tb1 O10 C4 O8 2.3(7) 5_656 . . . ?
Tb1 O10 C4 C19 -176.3(5) 5_656 . . . ?
N1 C16 C17 N3 -4.7(8) . . . . ?
N1 C16 C17 O11 176.5(6) . . . . ?
N1 C16 C20 C23 1.2(10) . . . . ?
N1 C18 C21 N2 -6.0(8) . . . . ?
N1 C18 C21 O9 176.0(6) . . . . ?
N1 C18 C22 C23 1.3(10) . . . . ?
O8 C4 C19 C8 -172.0(6) . . . . ?
O8 C4 C19 C12 4.8(9) . . . . ?
N2 C11 C14 C13 174.5(5) . . . . ?
C1 C2 C13 C14 0.1(9) . . . . ?
C1 C2 C13 C15 177.3(5) . . . . ?
C1 C3 C11 N2 -173.3(5) . . . . ?
C1 C3 C11 C14 2.2(8) . . . . ?
N3 C5 C8 C19 -177.3(5) . . . . ?
N3 C5 C10 C6 176.3(5) . . . . ?
O10 C4 C19 C8 6.5(9) . . . . ?
O10 C4 C19 C12 -176.6(6) . . . . ?
C2 C1 C3 C11 -2.0(8) . . . . ?
C2 C1 C7 O3 -177.3(5) . . . . ?
C2 C1 C7 O4 5.8(9) . . . . ?
C2 C13 C14 C11 0.1(9) . . . . ?
C2 C13 C15 O2 -175.6(6) . . . . ?
C2 C13 C15 O7 2.1(9) . . . . ?
C3 C1 C2 C13 0.9(8) . . . . ?
C3 C1 C7 O3 5.2(8) . . . . ?
C3 C1 C7 O4 -171.7(5) . . . . ?
C3 C11 C14 C13 -1.3(8) . . . . ?
C5 N3 C17 O11 4.1(10) . . . . ?
C5 N3 C17 C16 -174.6(5) . . . . ?
C5 C8 C19 C4 177.1(5) . . . . ?
C5 C8 C19 C12 0.3(9) . . . . ?
C6 C12 C19 C4 -178.5(5) . . . . ?
C6 C12 C19 C8 -1.7(9) . . . . ?
C7 C1 C2 C13 -176.5(5) . . . . ?
C7 C1 C3 C11 175.4(5) . . . . ?
C8 C5 C10 C6 -2.9(8) . . . . ?
C9 C6 C10 C5 -177.2(5) . . . . ?
C9 C6 C12 C19 179.5(5) . . . . ?
C10 C5 C8 C19 2.1(9) . . . . ?
C10 C6 C9 O1 -175.0(5) . . . . ?
C10 C6 C9 O6 6.4(9) . . . . ?
C10 C6 C12 C19 0.8(9) . . . . ?
C11 N2 C21 O9 -3.3(10) . . . . ?
C11 N2 C21 C18 178.7(5) . . . . ?
C12 C6 C9 O1 6.2(8) . . . . ?
C12 C6 C9 O6 -172.3(6) . . . . ?
C12 C6 C10 C5 1.5(9) . . . . ?
C14 C13 C15 O2 1.7(8) . . . . ?
C14 C13 C15 O7 179.4(6) . . . . ?
C15 C13 C14 C11 -177.3(5) . . . . ?
C16 N1 C18 C21 179.9(5) . . . . ?
C16 N1 C18 C22 -0.6(9) . . . . ?
C16 C20 C23 C22 -0.4(11) . . . . ?
C17 N3 C5 C8 178.7(6) . . . . ?
C17 N3 C5 C10 -0.6(9) . . . . ?
C17 C16 C20 C23 -178.1(6) . . . . ?
C18 N1 C16 C17 178.6(5) . . . . ?
C18 N1 C16 C20 -0.7(8) . . . . ?
C18 C22 C23 C20 -0.7(11) . . . . ?
C20 C16 C17 N3 174.6(6) . . . . ?
C20 C16 C17 O11 -4.2(9) . . . . ?
C21 N2 C11 C3 -37.5(9) . . . . ?
C21 N2 C11 C14 146.9(6) . . . . ?
C21 C18 C22 C23 -179.2(6) . . . . ?
C22 C18 C21 N2 174.5(6) . . . . ?
C22 C18 C21 O9 -3.6(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_CUST-924
_audit_block_doi                 10.5517/ccdc.csd.cc2l2kt2
_database_code_depnum_ccdc_archive 'CCDC 2385754'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/D5CE00382B 2025
loop_
_audit_author_name
_audit_author_address
'Yang Lin'
;Changchun University of Science and Technology
China
;
_audit_update_record             
;
2024-11-12 deposited with the CCDC.	2025-06-20 downloaded from the CCDC.
;
_audit_creation_date             2024-11-06
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H11 Eu N3 O11'
_chemical_formula_sum            'C23 H11 Eu N3 O11'
_chemical_formula_weight         657.31
_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 0.0033 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'
Eu Eu -0.1578 3.6682 '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'

_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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'

_cell_length_a                   28.4963(16)
_cell_length_b                   10.0575(5)
_cell_length_c                   27.113(2)
_cell_angle_alpha                90
_cell_angle_beta                 118.632(2)
_cell_angle_gamma                90
_cell_volume                     6820.3(8)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9940
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.055
_cell_measurement_theta_min      2.483
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.887
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5671
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2568
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.21
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_unetI/netI     0.0317
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            24599
_diffrn_reflns_point_group_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.522
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           0.9
_diffrn_source_power             0.0405
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5038
_reflns_number_total             5798
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.891
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.113
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         5798
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0375
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0418P)²+49.1404P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0947
_refine_ls_wR_factor_ref         0.0975
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(Eu1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O4) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Sof(O4A)=1-FVAR(1)
 Sof(O4)=FVAR(1)
4.a Aromatic/amide H refined with riding coordinates:
 N3(H3), C23(H23), C20(H20), C17(H17), N2(H2), C3(H3A), C8(H8), C6(H6),
 C11(H11), C12(H12), C13(H13)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.35966(2) 0.68116(2) 0.66949(2) 0.02352(10) Uani 1 1 d . U . . .
O1 O 0.23368(14) 0.8108(3) 0.36261(14) 0.0324(8) Uani 1 1 d . . . . .
O10 O 0.62699(19) 0.5343(3) 0.75663(15) 0.0493(11) Uani 1 1 d . . . . .
O7 O 0.62947(17) -0.1769(3) 0.75492(15) 0.0396(9) Uani 1 1 d . . . . .
N3 N 0.57425(19) 0.1889(4) 0.61046(16) 0.0325(10) Uani 1 1 d . . . . .
H3 H 0.551727 0.252475 0.594772 0.039 Uiso 1 1 calc R U . . .
O8 O 0.64937(18) -0.0777(4) 0.83197(14) 0.0462(11) Uani 1 1 d . . . . .
O5 O 0.40952(19) 0.4255(5) 0.38130(16) 0.0594(13) Uani 1 1 d . . . . .
O2 O 0.2641(2) 0.6921(5) 0.31913(16) 0.0612(14) Uani 1 1 d . . . . .
C23 C 0.60967(19) 0.0607(5) 0.69703(19) 0.0264(10) Uani 1 1 d . . . . .
H23 H 0.602737 -0.018646 0.677150 0.032 Uiso 1 1 calc R U . . .
O3 O 0.3205(2) 0.7206(6) 0.56950(17) 0.0710(16) Uani 1 1 d . . . . .
C21 C 0.63019(19) 0.0592(4) 0.75420(19) 0.0237(10) Uani 1 1 d . . . . .
O6 O 0.6139(2) 0.0134(4) 0.59446(17) 0.0595(13) Uani 1 1 d . . . . .
O9 O 0.65666(19) 0.4322(4) 0.83560(14) 0.0497(11) Uani 1 1 d . . . . .
C16 C 0.59933(19) 0.1811(5) 0.66905(19) 0.0256(10) Uani 1 1 d . . . . .
N1 N 0.51030(16) 0.2436(4) 0.50138(16) 0.0266(9) Uani 1 1 d . . . . .
C20 C 0.6407(2) 0.1769(4) 0.78330(19) 0.0263(10) Uani 1 1 d . . . . .
H20 H 0.654829 0.175721 0.822135 0.032 Uiso 1 1 calc R U . . .
C17 C 0.6101(2) 0.2996(5) 0.6983(2) 0.0286(11) Uani 1 1 d . . . . .
H17 H 0.603404 0.380181 0.679309 0.034 Uiso 1 1 calc R U . . .
N2 N 0.43057(17) 0.4288(4) 0.47093(16) 0.0325(10) Uani 1 1 d . . . . .
H2 H 0.452270 0.399294 0.503889 0.039 Uiso 1 1 calc R U . . .
C5 C 0.3565(2) 0.6550(5) 0.5688(2) 0.0321(12) Uani 1 1 d . . . . .
C18 C 0.6305(2) 0.2976(4) 0.7552(2) 0.0281(11) Uani 1 1 d . . . . .
C4 C 0.3540(2) 0.6325(5) 0.51537(19) 0.0289(11) Uani 1 1 d . . . . .
C3 C 0.3127(2) 0.6917(5) 0.4658(2) 0.0298(11) Uani 1 1 d . . . . .
H3A H 0.287199 0.746365 0.467489 0.036 Uiso 1 1 calc R U . . .
C22 C 0.6368(2) -0.0713(5) 0.78187(19) 0.0276(11) Uani 1 1 d . . . . .
C8 C 0.3507(2) 0.5828(5) 0.41779(19) 0.0286(11) Uani 1 1 d . . . . .
H8 H 0.350404 0.566034 0.383934 0.034 Uiso 1 1 calc R U . . .
C2 C 0.3117(2) 0.6666(5) 0.4171(2) 0.0268(10) Uani 1 1 d . . . . .
C6 C 0.3930(2) 0.5475(5) 0.51620(19) 0.0313(11) Uani 1 1 d . . . . .
H6 H 0.419195 0.510862 0.549569 0.038 Uiso 1 1 calc R U . . .
C7 C 0.39101(19) 0.5210(5) 0.46711(19) 0.0285(11) Uani 1 1 d . . . . .
C19 C 0.6393(2) 0.4283(4) 0.7846(2) 0.0275(11) Uani 1 1 d . . . . .
C11 C 0.4855(2) 0.2176(6) 0.4066(2) 0.0401(13) Uani 1 1 d . . . . .
H11 H 0.464835 0.241289 0.369016 0.048 Uiso 1 1 calc R U . . .
C1 C 0.2672(2) 0.7271(5) 0.3623(2) 0.0307(11) Uani 1 1 d . . . . .
C10 C 0.4796(2) 0.2788(5) 0.44725(19) 0.0272(10) Uani 1 1 d . . . . .
C15 C 0.5821(2) 0.1079(5) 0.5776(2) 0.0315(11) Uani 1 1 d . . . . .
C9 C 0.4370(2) 0.3855(5) 0.4301(2) 0.0330(12) Uani 1 1 d . . . . .
C14 C 0.5473(2) 0.1460(5) 0.5165(2) 0.0278(11) Uani 1 1 d . . . . .
C12 C 0.5240(3) 0.1168(7) 0.4228(2) 0.0500(16) Uani 1 1 d . . . . .
H12 H 0.528647 0.073694 0.395177 0.060 Uiso 1 1 calc R U . . .
C13 C 0.5554(2) 0.0783(6) 0.4783(2) 0.0426(14) Uani 1 1 d . . . . .
H13 H 0.580418 0.010253 0.488492 0.051 Uiso 1 1 calc R U . . .
O11 O 0.4561(2) 0.7096(7) 0.7260(3) 0.097(2) Uani 1 1 d . . . . .
O4 O 0.383(2) 0.575(3) 0.6064(19) 0.044(8) Uani 0.30(8) 1 d . U P A 1
O4A O 0.3990(9) 0.617(4) 0.6151(5) 0.067(6) Uani 0.70(8) 1 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
Eu1 O1 2.371(3) 7_566 ?
Eu1 O10 2.369(4) 2_656 ?
Eu1 O7 2.393(3) 2_666 ?
Eu1 O8 2.437(4) 2_666 ?
Eu1 O3 2.419(4) . ?
Eu1 O9 2.539(4) 2_656 ?
Eu1 C22 2.796(5) 2_666 ?
Eu1 C19 2.825(5) 2_656 ?
Eu1 O11 2.439(6) . ?
Eu1 O4 2.37(3) . ?
Eu1 O4A 2.332(11) . ?
O1 C1 1.277(6) . ?
O10 C19 1.256(6) . ?
O7 C22 1.248(6) . ?
N3 H3 0.8600 . ?
N3 C16 1.397(6) . ?
N3 C15 1.304(6) . ?
O8 C22 1.230(6) . ?
O5 C9 1.239(6) . ?
O2 C1 1.184(6) . ?
C23 H23 0.9300 . ?
C23 C21 1.370(6) . ?
C23 C16 1.383(6) . ?
O3 C5 1.227(6) . ?
C21 C20 1.374(6) . ?
C21 C22 1.478(6) . ?
O6 C15 1.239(6) . ?
O9 C19 1.227(6) . ?
C16 C17 1.383(6) . ?
N1 C10 1.347(6) . ?
N1 C14 1.352(6) . ?
C20 H20 0.9300 . ?
C20 C18 1.388(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.362(7) . ?
N2 H2 0.8600 . ?
N2 C7 1.425(6) . ?
N2 C9 1.281(6) . ?
C5 C4 1.434(6) . ?
C5 O4 1.23(3) . ?
C5 O4A 1.316(12) . ?
C18 C19 1.495(6) . ?
C4 C3 1.423(7) . ?
C4 C6 1.393(7) . ?
C3 H3A 0.9300 . ?
C3 C2 1.332(7) . ?
C8 H8 0.9300 . ?
C8 C2 1.387(7) . ?
C8 C7 1.422(7) . ?
C2 C1 1.542(7) . ?
C6 H6 0.9300 . ?
C6 C7 1.332(6) . ?
C11 H11 0.9300 . ?
C11 C10 1.342(7) . ?
C11 C12 1.400(8) . ?
C10 C9 1.517(7) . ?
C15 C14 1.517(7) . ?
C14 C13 1.348(7) . ?
C12 H12 0.9300 . ?
C12 C13 1.386(8) . ?
C13 H13 0.9300 . ?

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 O7 87.48(13) 7_566 2_666 ?
O1 Eu1 O8 82.47(14) 7_566 2_666 ?
O1 Eu1 O3 75.47(15) 7_566 . ?
O1 Eu1 O9 82.51(14) 7_566 2_656 ?
O1 Eu1 C22 85.58(13) 7_566 2_666 ?
O1 Eu1 C19 88.04(13) 7_566 2_656 ?
O1 Eu1 O11 162.76(17) 7_566 . ?
O10 Eu1 O1 91.67(14) 2_656 7_566 ?
O10 Eu1 O7 75.25(12) 2_656 2_666 ?
O10 Eu1 O8 127.40(11) 2_656 2_666 ?
O10 Eu1 O3 148.32(18) 2_656 . ?
O10 Eu1 O9 51.81(11) 2_656 2_656 ?
O10 Eu1 C22 101.62(12) 2_656 2_666 ?
O10 Eu1 C19 26.14(13) 2_656 2_656 ?
O10 Eu1 O11 82.3(2) 2_656 . ?
O10 Eu1 O4 110.1(6) 2_656 . ?
O7 Eu1 O8 52.38(11) 2_666 2_666 ?
O7 Eu1 O3 131.52(14) 2_666 . ?
O7 Eu1 O9 125.47(11) 2_666 2_656 ?
O7 Eu1 C22 26.39(12) 2_666 2_666 ?
O7 Eu1 C19 100.93(12) 2_666 2_656 ?
O7 Eu1 O11 75.38(18) 2_666 . ?
O8 Eu1 O9 164.92(16) 2_666 2_656 ?
O8 Eu1 C22 26.04(12) 2_666 2_666 ?
O8 Eu1 C19 151.83(12) 2_666 2_656 ?
O8 Eu1 O11 88.4(2) 2_666 . ?
O3 Eu1 O8 80.22(15) . 2_666 ?
O3 Eu1 O9 97.28(16) . 2_656 ?
O3 Eu1 C22 106.00(16) . 2_666 ?
O3 Eu1 C19 122.92(17) . 2_656 ?
O3 Eu1 O11 117.4(2) . . ?
O9 Eu1 C22 150.22(13) 2_656 2_666 ?
O9 Eu1 C19 25.73(12) 2_656 2_656 ?
C22 Eu1 C19 127.07(13) 2_666 2_656 ?
O11 Eu1 O9 105.8(2) . 2_656 ?
O11 Eu1 C22 79.89(19) . 2_666 ?
O11 Eu1 C19 93.3(2) . 2_656 ?
O4 Eu1 O1 114.0(14) . 7_566 ?
O4 Eu1 O7 157.2(14) . 2_666 ?
O4 Eu1 O8 120.0(7) . 2_666 ?
O4 Eu1 O3 53.3(10) . . ?
O4 Eu1 O9 68.0(9) . 2_656 ?
O4 Eu1 C22 141.5(9) . 2_666 ?
O4 Eu1 C19 88.1(7) . 2_656 ?
O4 Eu1 O11 83.2(14) . . ?
O4A Eu1 O3 55.9(3) . . ?
O4A Eu1 C19 97.0(10) . 2_656 ?
O4A Eu1 O11 72.0(7) . . ?
C1 O1 Eu1 137.1(3) . 7_566 ?
C19 O10 Eu1 97.7(3) . 2_656 ?
C22 O7 Eu1 95.1(3) . 2_646 ?
C16 N3 H3 117.3 . . ?
C15 N3 H3 117.3 . . ?
C15 N3 C16 125.4(4) . . ?
C22 O8 Eu1 93.5(3) . 2_646 ?
C21 C23 H23 120.2 . . ?
C21 C23 C16 119.6(4) . . ?
C16 C23 H23 120.2 . . ?
C5 O3 Eu1 89.4(3) . . ?
C23 C21 C20 119.8(4) . . ?
C23 C21 C22 117.8(4) . . ?
C20 C21 C22 122.3(4) . . ?
C19 O9 Eu1 90.3(3) . 2_656 ?
C23 C16 N3 122.1(4) . . ?
C17 C16 N3 117.1(4) . . ?
C17 C16 C23 120.6(4) . . ?
C10 N1 C14 121.7(4) . . ?
C21 C20 H20 119.7 . . ?
C21 C20 C18 120.5(4) . . ?
C18 C20 H20 119.7 . . ?
C16 C17 H17 120.2 . . ?
C18 C17 C16 119.6(4) . . ?
C18 C17 H17 120.2 . . ?
C7 N2 H2 116.8 . . ?
C9 N2 H2 116.8 . . ?
C9 N2 C7 126.5(4) . . ?
O3 C5 C4 117.5(5) . . ?
O3 C5 O4 121.9(15) . . ?
O3 C5 O4A 122.5(7) . . ?
O4 C5 C4 116.3(14) . . ?
O4A C5 C4 119.6(6) . . ?
C20 C18 C19 122.6(4) . . ?
C17 C18 C20 119.8(4) . . ?
C17 C18 C19 117.5(4) . . ?
C3 C4 C5 120.4(4) . . ?
C6 C4 C5 115.3(4) . . ?
C6 C4 C3 124.3(4) . . ?
C4 C3 H3A 120.9 . . ?
C2 C3 C4 118.2(4) . . ?
C2 C3 H3A 120.9 . . ?
O7 C22 Eu1 58.5(2) . 2_646 ?
O7 C22 C21 120.9(4) . . ?
O8 C22 Eu1 60.4(3) . 2_646 ?
O8 C22 O7 118.7(4) . . ?
O8 C22 C21 120.4(4) . . ?
C21 C22 Eu1 175.3(4) . 2_646 ?
C2 C8 H8 118.0 . . ?
C2 C8 C7 124.0(4) . . ?
C7 C8 H8 118.0 . . ?
C3 C2 C8 117.7(4) . . ?
C3 C2 C1 119.9(4) . . ?
C8 C2 C1 122.4(4) . . ?
C4 C6 H6 121.5 . . ?
C7 C6 C4 117.1(4) . . ?
C7 C6 H6 121.5 . . ?
C8 C7 N2 127.4(4) . . ?
C6 C7 N2 113.9(4) . . ?
C6 C7 C8 118.7(4) . . ?
O10 C19 Eu1 56.2(2) . 2_656 ?
O10 C19 C18 119.9(4) . . ?
O9 C19 Eu1 64.0(3) . 2_656 ?
O9 C19 O10 119.9(4) . . ?
O9 C19 C18 120.2(4) . . ?
C18 C19 Eu1 172.0(4) . 2_656 ?
C10 C11 H11 121.3 . . ?
C10 C11 C12 117.4(5) . . ?
C12 C11 H11 121.3 . . ?
O1 C1 C2 121.7(4) . . ?
O2 C1 O1 120.1(5) . . ?
O2 C1 C2 118.2(5) . . ?
N1 C10 C9 121.7(4) . . ?
C11 C10 N1 120.3(5) . . ?
C11 C10 C9 118.0(4) . . ?
N3 C15 C14 110.6(4) . . ?
O6 C15 N3 124.2(5) . . ?
O6 C15 C14 125.2(4) . . ?
O5 C9 N2 122.2(5) . . ?
O5 C9 C10 124.1(4) . . ?
N2 C9 C10 113.7(4) . . ?
N1 C14 C15 121.4(4) . . ?
C13 C14 N1 122.0(5) . . ?
C13 C14 C15 116.6(4) . . ?
C11 C12 H12 118.5 . . ?
C13 C12 C11 123.1(5) . . ?
C13 C12 H12 118.5 . . ?
C14 C13 C12 115.6(5) . . ?
C14 C13 H13 122.2 . . ?
C12 C13 H13 122.2 . . ?
C5 O4 Eu1 91.5(13) . . ?
C5 O4A Eu1 91.1(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O1 C1 O2 63.9(8) 7_566 . . . ?
Eu1 O1 C1 C2 -114.6(5) 7_566 . . . ?
Eu1 O10 C19 O9 -5.6(6) 2_656 . . . ?
Eu1 O10 C19 C18 171.8(4) 2_656 . . . ?
Eu1 O7 C22 O8 4.9(5) 2_646 . . . ?
Eu1 O7 C22 C21 -174.6(4) 2_646 . . . ?
Eu1 O8 C22 O7 -4.8(5) 2_646 . . . ?
Eu1 O8 C22 C21 174.7(4) 2_646 . . . ?
Eu1 O3 C5 C4 176.2(5) . . . . ?
Eu1 O3 C5 O4 20(3) . . . . ?
Eu1 O3 C5 O4A -11(2) . . . . ?
Eu1 O9 C19 O10 5.2(5) 2_656 . . . ?
Eu1 O9 C19 C18 -172.2(4) 2_656 . . . ?
N3 C16 C17 C18 174.7(5) . . . . ?
N3 C15 C14 N1 -5.9(7) . . . . ?
N3 C15 C14 C13 173.6(5) . . . . ?
C23 C21 C20 C18 0.3(8) . . . . ?
C23 C21 C22 O7 7.6(7) . . . . ?
C23 C21 C22 O8 -171.9(5) . . . . ?
C23 C16 C17 C18 -0.7(8) . . . . ?
O3 C5 C4 C3 3.7(8) . . . . ?
O3 C5 C4 C6 -174.3(6) . . . . ?
O3 C5 O4 Eu1 -21(3) . . . . ?
O3 C5 O4A Eu1 11(3) . . . . ?
C21 C23 C16 N3 -174.5(5) . . . . ?
C21 C23 C16 C17 0.8(8) . . . . ?
C21 C20 C18 C17 -0.3(8) . . . . ?
C21 C20 C18 C19 177.5(5) . . . . ?
O6 C15 C14 N1 174.1(5) . . . . ?
O6 C15 C14 C13 -6.4(8) . . . . ?
C16 N3 C15 O6 -1.0(9) . . . . ?
C16 N3 C15 C14 179.0(5) . . . . ?
C16 C23 C21 C20 -0.5(7) . . . . ?
C16 C23 C21 C22 175.5(5) . . . . ?
C16 C17 C18 C20 0.5(8) . . . . ?
C16 C17 C18 C19 -177.5(5) . . . . ?
N1 C10 C9 O5 176.5(5) . . . . ?
N1 C10 C9 N2 -5.5(8) . . . . ?
N1 C14 C13 C12 0.9(9) . . . . ?
C20 C21 C22 O7 -176.5(5) . . . . ?
C20 C21 C22 O8 4.1(8) . . . . ?
C20 C18 C19 O10 -176.7(5) . . . . ?
C20 C18 C19 O9 0.8(8) . . . . ?
C17 C18 C19 O10 1.2(8) . . . . ?
C17 C18 C19 O9 178.6(5) . . . . ?
C5 C4 C3 C2 -179.2(5) . . . . ?
C5 C4 C6 C7 178.1(5) . . . . ?
C4 C5 O4 Eu1 -176.9(5) . . . . ?
C4 C5 O4A Eu1 -175.9(5) . . . . ?
C4 C3 C2 C8 0.8(7) . . . . ?
C4 C3 C2 C1 179.2(5) . . . . ?
C4 C6 C7 N2 -177.3(5) . . . . ?
C4 C6 C7 C8 1.5(8) . . . . ?
C3 C4 C6 C7 0.1(8) . . . . ?
C3 C2 C1 O1 6.3(8) . . . . ?
C3 C2 C1 O2 -172.3(5) . . . . ?
C22 C21 C20 C18 -175.6(5) . . . . ?
C8 C2 C1 O1 -175.4(5) . . . . ?
C8 C2 C1 O2 6.0(8) . . . . ?
C2 C8 C7 N2 176.5(5) . . . . ?
C2 C8 C7 C6 -2.1(8) . . . . ?
C6 C4 C3 C2 -1.4(8) . . . . ?
C7 N2 C9 O5 3.1(9) . . . . ?
C7 N2 C9 C10 -174.9(5) . . . . ?
C7 C8 C2 C3 0.9(8) . . . . ?
C7 C8 C2 C1 -177.4(5) . . . . ?
C11 C10 C9 O5 -4.6(9) . . . . ?
C11 C10 C9 N2 173.3(5) . . . . ?
C11 C12 C13 C14 -1.0(10) . . . . ?
C10 N1 C14 C15 179.3(5) . . . . ?
C10 N1 C14 C13 -0.2(8) . . . . ?
C10 C11 C12 C13 0.3(10) . . . . ?
C15 N3 C16 C23 -38.3(8) . . . . ?
C15 N3 C16 C17 146.3(5) . . . . ?
C15 C14 C13 C12 -178.5(5) . . . . ?
C9 N2 C7 C8 0.5(9) . . . . ?
C9 N2 C7 C6 179.2(5) . . . . ?
C14 N1 C10 C11 -0.6(8) . . . . ?
C14 N1 C10 C9 178.1(5) . . . . ?
C12 C11 C10 N1 0.6(9) . . . . ?
C12 C11 C10 C9 -178.3(5) . . . . ?
O4 C5 C4 C3 161(3) . . . . ?
O4 C5 C4 C6 -17(3) . . . . ?
O4A C5 C4 C3 -170(2) . . . . ?
O4A C5 C4 C6 12(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
