# 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_Dy_1D
_database_code_depnum_ccdc_archive 'CCDC 2433773'
loop_
_audit_author_name
_audit_author_address
'NAUSHAD AHMED'
;Texas A and M University
United States of America
;
_audit_update_record             
;
2025-03-24 deposited with the CCDC.	2025-06-06 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H25 Cl Dy N5 O5'
_chemical_formula_sum            'C25 H25 Cl Dy N5 O5'
_chemical_formula_weight         673.45
_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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.54622(4)
_cell_length_b                   25.77176(17)
_cell_length_c                   13.72571(7)
_cell_angle_alpha                90
_cell_angle_beta                 94.0002(5)
_cell_angle_gamma                90
_cell_volume                     2662.86(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    31902
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      78.6250
_cell_measurement_theta_min      3.4200

_shelx_estimated_absorpt_T_max   1.00000
_shelx_estimated_absorpt_T_min   0.78599
_exptl_absorpt_coefficient_mu    16.312
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78599
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.103a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1332
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_unetI/netI     0.0175
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            53033
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         80.074
_diffrn_reflns_theta_min         3.430
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5593
_reflns_number_total             5746
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    ?
_computing_publication_material  ?
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    ?
_refine_diff_density_max         0.772
_refine_diff_density_min         -0.967
_refine_diff_density_rms         0.083
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     341
_refine_ls_number_reflns         5746
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0256
_refine_ls_restrained_S_all      1.108
_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)+(0.0339P)²+3.4644P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0672
_refine_ls_wR_factor_ref         0.0677
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 O5-H5
 0.87 with sigma of 0.01
 Dy1-H5
 2.981689 with sigma of 0.02
 C24-H5
 1.922501 with sigma of 0.02
2.a Secondary CH2 refined with riding coordinates:
 C24(H24A,H24B)
2.b Aromatic/amide H refined with riding coordinates:
 N3(H3), C5(H5A), C19(H19), C4(H4), C12(H12), C17(H17), C9(H9), C3(H3B),
 C11(H11), C10(H10), C18(H18), C2(H2)
2.c Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C22(H22A,H22B,H22C), C25(H25A,H25B,H25C)
2.d Idealised tetrahedral OH refined as rotating group:
 O3(H3A)
;
_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
Dy1 Dy 0.69845(2) 0.30746(2) 0.52561(2) 0.01515(6) Uani 1 1 d D . . . .
Cl1 Cl 0.37467(8) 0.32305(2) 0.59177(4) 0.02104(12) Uani 1 1 d . . . . .
O4 O 0.6491(2) 0.38456(7) 0.44793(12) 0.0194(3) Uani 1 1 d . . . . .
O1 O 0.8874(2) 0.23713(7) 0.93055(12) 0.0187(3) Uani 1 1 d . . . . .
O2 O 0.7862(2) 0.33368(7) 0.68819(13) 0.0211(4) Uani 1 1 d . . . . .
O5 O 0.9775(2) 0.35176(7) 0.52862(15) 0.0262(4) Uani 1 1 d D . . . .
H5 H 1.0791(16) 0.3361(7) 0.526(3) 0.039 Uiso 1 1 d D U . . .
N1 N 0.5618(3) 0.22006(8) 0.48484(14) 0.0168(4) Uani 1 1 d . . . . .
N3 N 0.8054(3) 0.25121(8) 0.74325(15) 0.0165(4) Uani 1 1 d . . . . .
H3 H 0.837170 0.228660 0.789363 0.020 Uiso 1 1 calc R U . . .
O3 O 0.2473(3) 0.41081(8) 0.22619(17) 0.0397(6) Uani 1 1 d . . . . .
H3A H 0.277909 0.382752 0.253587 0.060 Uiso 1 1 calc R U . . .
N4 N 0.4940(3) 0.30364(8) 0.37854(16) 0.0177(4) Uani 1 1 d . . . . .
N2 N 0.7288(3) 0.23614(8) 0.65369(14) 0.0162(4) Uani 1 1 d . . . . .
N5 N 0.4375(3) 0.35010(8) 0.33694(15) 0.0182(4) Uani 1 1 d . . . . .
C6 C 0.9136(3) 0.31971(10) 0.85000(18) 0.0174(5) Uani 1 1 d . . . . .
C20 C 0.6150(3) 0.17753(10) 0.53639(17) 0.0169(5) Uani 1 1 d . . . . .
C13 C 0.4771(3) 0.44210(10) 0.34350(18) 0.0191(5) Uani 1 1 d . . . . .
C5 C 0.9673(3) 0.37187(10) 0.85770(18) 0.0201(5) Uani 1 1 d . . . . .
H5A H 0.940422 0.394713 0.804385 0.024 Uiso 1 1 calc R U . . .
C16 C 0.4703(3) 0.21369(10) 0.39724(17) 0.0175(5) Uani 1 1 d . . . . .
C19 C 0.5822(3) 0.12762(10) 0.50145(19) 0.0210(5) Uani 1 1 d . . . . .
H19 H 0.620269 0.098311 0.539341 0.025 Uiso 1 1 calc R U . . .
C21 C 0.7080(3) 0.18753(9) 0.63401(18) 0.0170(5) Uani 1 1 d . . . . .
C14 C 0.5262(3) 0.38961(10) 0.37962(17) 0.0175(5) Uani 1 1 d . . . . .
C4 C 1.0582(4) 0.39056(11) 0.9412(2) 0.0247(5) Uani 1 1 d . . . . .
H4 H 1.091103 0.426099 0.946231 0.030 Uiso 1 1 calc R U . . .
C12 C 0.5643(3) 0.48523(10) 0.3856(2) 0.0224(5) Uani 1 1 d . . . . .
H12 H 0.658227 0.479971 0.434365 0.027 Uiso 1 1 calc R U . . .
C7 C 0.8287(3) 0.30272(9) 0.75577(18) 0.0171(5) Uani 1 1 d . . . . .
C1 C 0.9473(3) 0.28526(10) 0.93042(17) 0.0172(5) Uani 1 1 d . . . . .
C17 C 0.4354(3) 0.16473(10) 0.35767(18) 0.0205(5) Uani 1 1 d . . . . .
H17 H 0.372998 0.161181 0.295491 0.025 Uiso 1 1 calc R U . . .
C9 C 0.2942(4) 0.50100(12) 0.2424(2) 0.0327(7) Uani 1 1 d . . . . .
H9 H 0.202531 0.506821 0.192623 0.039 Uiso 1 1 calc R U . . .
C8 C 0.3396(4) 0.45040(11) 0.27005(19) 0.0259(6) Uani 1 1 d . . . . .
C15 C 0.4120(3) 0.26231(10) 0.34714(17) 0.0168(5) Uani 1 1 d . . . . .
C3 C 1.1011(3) 0.35636(11) 1.01827(19) 0.0243(5) Uani 1 1 d . . . . .
H3B H 1.167660 0.368495 1.075047 0.029 Uiso 1 1 calc R U . . .
C23 C 0.2637(3) 0.26351(10) 0.26911(19) 0.0222(5) Uani 1 1 d . . . . .
H23A H 0.170897 0.287247 0.288339 0.033 Uiso 1 1 calc R U . . .
H23B H 0.213980 0.228572 0.260016 0.033 Uiso 1 1 calc R U . . .
H23C H 0.309006 0.275479 0.207795 0.033 Uiso 1 1 calc R U . . .
C11 C 0.5183(4) 0.53510(11) 0.3587(2) 0.0269(6) Uani 1 1 d . . . . .
H11 H 0.579049 0.563873 0.388601 0.032 Uiso 1 1 calc R U . . .
C22 C 0.7719(4) 0.14299(10) 0.69710(18) 0.0214(5) Uani 1 1 d . . . . .
H22A H 0.872612 0.126235 0.668456 0.032 Uiso 1 1 calc R U . . .
H22B H 0.675480 0.117810 0.701574 0.032 Uiso 1 1 calc R U . . .
H22C H 0.809404 0.155772 0.762554 0.032 Uiso 1 1 calc R U . . .
C10 C 0.3816(4) 0.54275(11) 0.2869(2) 0.0285(6) Uani 1 1 d . . . . .
H10 H 0.347765 0.577045 0.268295 0.034 Uiso 1 1 calc R U . . .
C18 C 0.4929(3) 0.12120(10) 0.41012(19) 0.0216(5) Uani 1 1 d . . . . .
H18 H 0.471597 0.087451 0.384060 0.026 Uiso 1 1 calc R U . . .
C24 C 1.0091(4) 0.40562(11) 0.5525(2) 0.0292(6) Uani 1 1 d D . . . .
H24A H 1.095906 0.408391 0.609795 0.035 Uiso 1 1 calc R U . . .
H24B H 0.896926 0.422267 0.569288 0.035 Uiso 1 1 calc R U . . .
C2 C 1.0479(4) 0.30513(11) 1.01282(19) 0.0220(5) Uani 1 1 d . . . . .
H2 H 1.079865 0.282592 1.065945 0.026 Uiso 1 1 calc R U . . .
C25 C 1.0797(5) 0.43246(14) 0.4666(3) 0.0414(8) Uani 1 1 d . . . . .
H25A H 0.990757 0.431099 0.411089 0.062 Uiso 1 1 calc R U . . .
H25B H 1.188585 0.415108 0.449021 0.062 Uiso 1 1 calc R U . . .
H25C H 1.106073 0.468747 0.483315 0.062 Uiso 1 1 calc R 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
Dy1 Cl1 2.6955(6) . ?
Dy1 O4 2.2736(17) . ?
Dy1 O1 2.3054(17) 4_565 ?
Dy1 O2 2.3810(17) . ?
Dy1 O5 2.3934(18) . ?
Dy1 N1 2.524(2) . ?
Dy1 N4 2.456(2) . ?
Dy1 N2 2.543(2) . ?
O4 C14 1.279(3) . ?
O1 C1 1.320(3) . ?
O2 C7 1.248(3) . ?
O5 H5 0.869(9) . ?
O5 C24 1.442(3) . ?
N1 C20 1.350(3) . ?
N1 C16 1.354(3) . ?
N3 H3 0.8800 . ?
N3 N2 1.377(3) . ?
N3 C7 1.349(3) . ?
O3 H3A 0.8400 . ?
O3 C8 1.353(3) . ?
N4 N5 1.381(3) . ?
N4 C15 1.291(3) . ?
N2 C21 1.289(3) . ?
N5 C14 1.331(3) . ?
C6 C5 1.406(4) . ?
C6 C7 1.470(3) . ?
C6 C1 1.426(3) . ?
C20 C19 1.389(4) . ?
C20 C21 1.491(3) . ?
C13 C14 1.479(3) . ?
C13 C12 1.396(4) . ?
C13 C8 1.411(3) . ?
C5 H5A 0.9500 . ?
C5 C4 1.382(4) . ?
C16 C17 1.391(4) . ?
C16 C15 1.481(3) . ?
C19 H19 0.9500 . ?
C19 C18 1.391(4) . ?
C21 C22 1.497(3) . ?
C4 H4 0.9500 . ?
C4 C3 1.397(4) . ?
C12 H12 0.9500 . ?
C12 C11 1.375(4) . ?
C1 C2 1.414(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.386(4) . ?
C9 H9 0.9500 . ?
C9 C8 1.394(4) . ?
C9 C10 1.382(4) . ?
C15 C23 1.494(3) . ?
C3 H3B 0.9500 . ?
C3 C2 1.380(4) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C11 H11 0.9500 . ?
C11 C10 1.390(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C10 H10 0.9500 . ?
C18 H18 0.9500 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.498(5) . ?
C2 H2 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Dy1 Cl1 84.55(5) . . ?
O4 Dy1 O1 104.93(6) . 4_565 ?
O4 Dy1 O2 102.54(6) . . ?
O4 Dy1 O5 72.91(7) . . ?
O4 Dy1 N1 128.69(6) . . ?
O4 Dy1 N4 64.95(6) . . ?
O4 Dy1 N2 163.74(6) . . ?
O1 Dy1 Cl1 151.15(4) 4_565 . ?
O1 Dy1 O2 121.96(6) 4_565 . ?
O1 Dy1 O5 70.70(6) 4_565 . ?
O1 Dy1 N1 71.87(6) 4_565 . ?
O1 Dy1 N4 83.84(6) 4_565 . ?
O1 Dy1 N2 90.09(6) 4_565 . ?
O2 Dy1 Cl1 80.87(5) . . ?
O2 Dy1 O5 70.21(7) . . ?
O2 Dy1 N1 122.95(6) . . ?
O2 Dy1 N4 154.10(7) . . ?
O2 Dy1 N2 63.35(6) . . ?
O5 Dy1 Cl1 137.75(5) . . ?
O5 Dy1 N1 140.80(6) . . ?
O5 Dy1 N4 122.33(7) . . ?
O5 Dy1 N2 107.22(7) . . ?
N1 Dy1 Cl1 80.90(5) . . ?
N1 Dy1 N2 61.57(6) . . ?
N4 Dy1 Cl1 75.56(5) . . ?
N4 Dy1 N1 63.80(7) . . ?
N4 Dy1 N2 124.10(7) . . ?
N2 Dy1 Cl1 85.13(5) . . ?
C14 O4 Dy1 121.29(16) . . ?
C1 O1 Dy1 133.97(15) . 4_566 ?
C7 O2 Dy1 123.71(16) . . ?
Dy1 O5 H5 123.7(13) . . ?
C24 O5 Dy1 126.45(16) . . ?
C24 O5 H5 108.9(13) . . ?
C20 N1 Dy1 120.43(16) . . ?
C20 N1 C16 118.8(2) . . ?
C16 N1 Dy1 118.71(16) . . ?
N2 N3 H3 122.1 . . ?
C7 N3 H3 122.1 . . ?
C7 N3 N2 115.7(2) . . ?
C8 O3 H3A 109.5 . . ?
N5 N4 Dy1 117.60(15) . . ?
C15 N4 Dy1 124.51(16) . . ?
C15 N4 N5 116.8(2) . . ?
N3 N2 Dy1 115.17(14) . . ?
C21 N2 Dy1 123.63(16) . . ?
C21 N2 N3 119.9(2) . . ?
C14 N5 N4 110.5(2) . . ?
C5 C6 C7 117.2(2) . . ?
C5 C6 C1 120.2(2) . . ?
C1 C6 C7 122.6(2) . . ?
N1 C20 C19 122.1(2) . . ?
N1 C20 C21 115.8(2) . . ?
C19 C20 C21 122.1(2) . . ?
C12 C13 C14 119.3(2) . . ?
C12 C13 C8 118.5(2) . . ?
C8 C13 C14 122.2(2) . . ?
C6 C5 H5A 119.3 . . ?
C4 C5 C6 121.3(2) . . ?
C4 C5 H5A 119.3 . . ?
N1 C16 C17 121.8(2) . . ?
N1 C16 C15 115.2(2) . . ?
C17 C16 C15 123.0(2) . . ?
C20 C19 H19 120.5 . . ?
C20 C19 C18 119.0(2) . . ?
C18 C19 H19 120.5 . . ?
N2 C21 C20 113.5(2) . . ?
N2 C21 C22 126.5(2) . . ?
C20 C21 C22 120.0(2) . . ?
O4 C14 N5 124.1(2) . . ?
O4 C14 C13 119.4(2) . . ?
N5 C14 C13 116.5(2) . . ?
C5 C4 H4 120.5 . . ?
C5 C4 C3 118.9(3) . . ?
C3 C4 H4 120.5 . . ?
C13 C12 H12 119.0 . . ?
C11 C12 C13 122.0(2) . . ?
C11 C12 H12 119.0 . . ?
O2 C7 N3 120.7(2) . . ?
O2 C7 C6 122.5(2) . . ?
N3 C7 C6 116.8(2) . . ?
O1 C1 C6 122.9(2) . . ?
O1 C1 C2 120.3(2) . . ?
C2 C1 C6 116.8(2) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 C16 119.2(2) . . ?
C18 C17 H17 120.4 . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C10 C9 C8 120.5(3) . . ?
O3 C8 C13 122.2(2) . . ?
O3 C8 C9 118.4(2) . . ?
C9 C8 C13 119.4(3) . . ?
N4 C15 C16 115.0(2) . . ?
N4 C15 C23 122.7(2) . . ?
C16 C15 C23 122.2(2) . . ?
C4 C3 H3B 119.6 . . ?
C2 C3 C4 120.7(2) . . ?
C2 C3 H3B 119.6 . . ?
C15 C23 H23A 109.5 . . ?
C15 C23 H23B 109.5 . . ?
C15 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C12 C11 H11 120.5 . . ?
C12 C11 C10 119.0(3) . . ?
C10 C11 H11 120.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C9 C10 C11 120.7(3) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
C19 C18 H18 120.5 . . ?
C17 C18 C19 119.1(2) . . ?
C17 C18 H18 120.5 . . ?
O5 C24 H24A 109.9 . . ?
O5 C24 H24B 109.9 . . ?
O5 C24 C25 109.1(3) . . ?
H24A C24 H24B 108.3 . . ?
C25 C24 H24A 109.9 . . ?
C25 C24 H24B 109.9 . . ?
C1 C2 H2 119.1 . . ?
C3 C2 C1 121.9(2) . . ?
C3 C2 H2 119.1 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

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
Dy1 O4 C14 N5 -11.6(3) . . . . ?
Dy1 O4 C14 C13 168.96(16) . . . . ?
Dy1 O1 C1 C6 -118.4(2) 4_566 . . . ?
Dy1 O1 C1 C2 60.8(3) 4_566 . . . ?
Dy1 O2 C7 N3 -8.6(3) . . . . ?
Dy1 O2 C7 C6 168.31(17) . . . . ?
Dy1 O5 C24 C25 -119.4(2) . . . . ?
Dy1 N1 C20 C19 -161.84(19) . . . . ?
Dy1 N1 C20 C21 19.3(3) . . . . ?
Dy1 N1 C16 C17 161.26(18) . . . . ?
Dy1 N1 C16 C15 -18.3(3) . . . . ?
Dy1 N4 N5 C14 8.1(3) . . . . ?
Dy1 N4 C15 C16 -9.3(3) . . . . ?
Dy1 N4 C15 C23 168.05(18) . . . . ?
Dy1 N2 C21 C20 -16.6(3) . . . . ?
Dy1 N2 C21 C22 161.43(19) . . . . ?
O1 C1 C2 C3 -175.0(2) . . . . ?
N1 C20 C19 C18 0.4(4) . . . . ?
N1 C20 C21 N2 -2.0(3) . . . . ?
N1 C20 C21 C22 179.9(2) . . . . ?
N1 C16 C17 C18 1.3(4) . . . . ?
N1 C16 C15 N4 17.9(3) . . . . ?
N1 C16 C15 C23 -159.5(2) . . . . ?
N3 N2 C21 C20 177.0(2) . . . . ?
N3 N2 C21 C22 -5.0(4) . . . . ?
N4 N5 C14 O4 1.5(3) . . . . ?
N4 N5 C14 C13 -179.0(2) . . . . ?
N2 N3 C7 O2 -1.7(3) . . . . ?
N2 N3 C7 C6 -178.8(2) . . . . ?
N5 N4 C15 C16 -176.9(2) . . . . ?
N5 N4 C15 C23 0.5(4) . . . . ?
C6 C5 C4 C3 1.6(4) . . . . ?
C6 C1 C2 C3 4.3(4) . . . . ?
C20 N1 C16 C17 -2.4(4) . . . . ?
C20 N1 C16 C15 178.1(2) . . . . ?
C20 C19 C18 C17 -1.5(4) . . . . ?
C13 C12 C11 C10 -0.4(4) . . . . ?
C5 C6 C7 O2 -8.1(4) . . . . ?
C5 C6 C7 N3 168.9(2) . . . . ?
C5 C6 C1 O1 174.2(2) . . . . ?
C5 C6 C1 C2 -5.0(4) . . . . ?
C5 C4 C3 C2 -2.4(4) . . . . ?
C16 N1 C20 C19 1.5(4) . . . . ?
C16 N1 C20 C21 -177.4(2) . . . . ?
C16 C17 C18 C19 0.7(4) . . . . ?
C19 C20 C21 N2 179.1(2) . . . . ?
C19 C20 C21 C22 1.0(4) . . . . ?
C21 C20 C19 C18 179.3(2) . . . . ?
C14 C13 C12 C11 -176.6(2) . . . . ?
C14 C13 C8 O3 -1.8(4) . . . . ?
C14 C13 C8 C9 177.0(3) . . . . ?
C4 C3 C2 C1 -0.6(4) . . . . ?
C12 C13 C14 O4 -0.9(4) . . . . ?
C12 C13 C14 N5 179.6(2) . . . . ?
C12 C13 C8 O3 -179.3(3) . . . . ?
C12 C13 C8 C9 -0.5(4) . . . . ?
C12 C11 C10 C9 -0.7(4) . . . . ?
C7 N3 N2 Dy1 9.8(3) . . . . ?
C7 N3 N2 C21 177.3(2) . . . . ?
C7 C6 C5 C4 -175.8(2) . . . . ?
C7 C6 C1 O1 -7.9(4) . . . . ?
C7 C6 C1 C2 172.9(2) . . . . ?
C1 C6 C5 C4 2.1(4) . . . . ?
C1 C6 C7 O2 174.0(2) . . . . ?
C1 C6 C7 N3 -9.0(4) . . . . ?
C17 C16 C15 N4 -161.6(2) . . . . ?
C17 C16 C15 C23 21.0(4) . . . . ?
C8 C13 C14 O4 -178.4(2) . . . . ?
C8 C13 C14 N5 2.1(4) . . . . ?
C8 C13 C12 C11 1.0(4) . . . . ?
C8 C9 C10 C11 1.2(5) . . . . ?
C15 N4 N5 C14 176.5(2) . . . . ?
C15 C16 C17 C18 -179.2(2) . . . . ?
C10 C9 C8 O3 178.3(3) . . . . ?
C10 C9 C8 C13 -0.6(5) . . . . ?

