# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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. 
# 
#######################################################################

data_wjl-170-3_auto
_database_code_depnum_ccdc_archive 'CCDC 2344861'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2024-04-01 deposited with the CCDC.	2025-06-16 downloaded from the CCDC.
;
_audit_creation_date             2023-05-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.02.24 svn.rf166f9f3 for OlexSys, GUI svn.r6725)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H50 Cl2 Dy2 N10 O2, 2(Cl O4), C4 H8 O2'
_chemical_formula_sum            'C36 H58 Cl4 Dy2 N10 O12'
_chemical_formula_weight         1289.72
_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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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                   18.5354(12)
_cell_length_b                   22.0457(19)
_cell_length_c                   11.7708(8)
_cell_angle_alpha                90
_cell_angle_beta                 95.201(7)
_cell_angle_gamma                90
_cell_volume                     4790.1(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9504
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.4550
_cell_measurement_theta_min      3.6350
_shelx_estimated_absorpt_T_max   0.649
_shelx_estimated_absorpt_T_min   0.613
_exptl_absorpt_coefficient_mu    3.386
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.42070
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.81a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.788
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2560
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0725
_diffrn_reflns_av_unetI/netI     0.0739
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            15735
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.434
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -69.00 -44.00   1.00   11.98    --  -16.76 144.00 -33.00   25
  2  ω    -59.00 -34.00   1.00   11.98    --  -16.76 128.00 156.00   25
  3  ω     11.00  36.00   1.00   11.98    --   17.07-128.00  82.00   25
  4  ω     21.00  46.00   1.00   11.98    --   17.07-144.00 -87.00   25
  5  ω    -21.00  20.00   1.00   11.98    --  -16.76 -99.00  90.00   41
  6  ω    -63.00 -36.00   1.00   11.98    --  -16.76-178.00-150.00   27
  7  ω    -88.00 -32.00   1.00   11.98    --  -16.76 178.00 -90.00   56
  8  ω     50.00  85.00   1.00   11.98    --   17.07  77.00 -90.00   35
  9  ω     -9.00  22.00   1.00   11.98    --   17.07  77.00 -90.00   31
 10  ω    -20.00   5.00   1.00   11.98    --   17.07 -99.00-150.00   25
 11  ω     -1.00  86.00   1.00   11.98    --   17.07  38.00-150.00   87
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0168251000
_diffrn_orient_matrix_UB_12      0.0156266000
_diffrn_orient_matrix_UB_13      -0.0431370000
_diffrn_orient_matrix_UB_21      0.0070035000
_diffrn_orient_matrix_UB_22      -0.0280738000
_diffrn_orient_matrix_UB_23      -0.0264035000
_diffrn_orient_matrix_UB_31      -0.0338874000
_diffrn_orient_matrix_UB_32      0.0019414000
_diffrn_orient_matrix_UB_33      -0.0329956000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.710
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2968
_reflns_number_total             4207
_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 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_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    
;
Superflip  (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         2.397
_refine_diff_density_min         -0.961
_refine_diff_density_rms         0.192
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         4207
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.1136
_refine_ls_R_factor_gt           0.0707
_refine_ls_restrained_S_all      1.117
_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)+(0.0523P)²+112.8974P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1398
_refine_ls_wR_factor_ref         0.1558
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C17-C2
 1.45 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C2) \\sim Ueq, Uanis(C17) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4.a Ternary CH refined with riding coordinates:
 N1(H1), N2(H2)
4.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C12(H12A,H12B),
 C16(H16A,H16B), C18(H18A,H18B), C2(H2A,H2B), C17(H17A,H17B)
4.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C7(H7), C13(H13)
4.d Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C15(H15A,H15B,H15C)
;
_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
Dy1 Dy 0.36022(3) 0.27290(3) 0.52530(4) 0.03291(19) Uani 1 1 d . . . . .
Cl1 Cl 0.49946(15) 0.30723(17) 0.5655(3) 0.0533(9) Uani 1 1 d . . . . .
O1 O 0.2417(5) 0.2742(6) 0.5372(10) 0.095(4) Uani 1 1 d . . . . .
N1 N 0.3406(5) 0.3811(5) 0.4992(9) 0.051(3) Uani 1 1 d . . . . .
H1 H 0.388428 0.400398 0.504945 0.061 Uiso 1 1 calc R U . . .
N2 N 0.3603(5) 0.2943(5) 0.7300(8) 0.040(2) Uani 1 1 d . . . . .
H2 H 0.410218 0.304518 0.757848 0.048 Uiso 1 1 calc R U . . .
N3 N 0.3943(5) 0.1810(5) 0.6330(9) 0.044(2) Uani 1 1 d . . . . .
N4 N 0.3981(5) 0.1895(5) 0.4088(9) 0.041(2) Uani 1 1 d . . . . .
N5 N 0.3683(5) 0.2986(5) 0.3250(9) 0.046(3) Uani 1 1 d . . . . .
C1 C 0.4085(6) 0.1339(6) 0.4566(13) 0.052(3) Uani 1 1 d . . . . .
C19 C 0.4227(10) 0.0721(7) 0.6414(15) 0.084(5) Uani 1 1 d . . . . .
H19A H 0.423298 0.077489 0.722389 0.127 Uiso 1 1 calc R U . . .
H19B H 0.468523 0.056303 0.623330 0.127 Uiso 1 1 calc R U . . .
H19C H 0.384887 0.044177 0.615828 0.127 Uiso 1 1 calc R U . . .
C3 C 0.2973(9) 0.4121(7) 0.5813(13) 0.068(4) Uani 1 1 d . . . . .
H3A H 0.248224 0.396468 0.572320 0.082 Uiso 1 1 calc R U . . .
H3B H 0.295247 0.455053 0.563503 0.082 Uiso 1 1 calc R U . . .
C4 C 0.3948(6) 0.1955(7) 0.2968(11) 0.047(3) Uani 1 1 d . . . . .
C5 C 0.3985(8) 0.1471(9) 0.2255(14) 0.073(5) Uani 1 1 d . . . . .
H5 H 0.394375 0.151863 0.146733 0.088 Uiso 1 1 calc R U . . .
C6 C 0.4090(6) 0.1323(6) 0.5827(13) 0.051(4) Uani 1 1 d . . . . .
C7 C 0.4086(9) 0.0905(9) 0.2752(17) 0.085(6) Uani 1 1 d . . . . .
H7 H 0.411994 0.056715 0.228760 0.102 Uiso 1 1 calc R U . . .
C8 C 0.3525(8) 0.3627(7) 0.2970(12) 0.068(4) Uani 1 1 d . . . . .
H8A H 0.326921 0.365285 0.221523 0.081 Uiso 1 1 calc R U . . .
H8B H 0.397673 0.384843 0.295881 0.081 Uiso 1 1 calc R U . . .
C9 C 0.3276(9) 0.4041(7) 0.7048(14) 0.073(5) Uani 1 1 d . . . . .
H9A H 0.379583 0.410069 0.708418 0.088 Uiso 1 1 calc R U . . .
H9B H 0.308074 0.436331 0.749026 0.088 Uiso 1 1 calc R U . . .
C10 C 0.3431(7) 0.2371(7) 0.7842(11) 0.053(4) Uani 1 1 d . . . . .
H10A H 0.293789 0.225469 0.759003 0.063 Uiso 1 1 calc R U . . .
H10B H 0.346339 0.242585 0.866246 0.063 Uiso 1 1 calc R U . . .
C12 C 0.3140(7) 0.3451(7) 0.7630(12) 0.059(4) Uani 1 1 d . . . . .
H12A H 0.322059 0.350968 0.844829 0.071 Uiso 1 1 calc R U . . .
H12B H 0.263648 0.333933 0.745474 0.071 Uiso 1 1 calc R U . . .
C13 C 0.4137(9) 0.0833(7) 0.3896(16) 0.073(5) Uani 1 1 d . . . . .
H13 H 0.420576 0.045097 0.422196 0.087 Uiso 1 1 calc R U . . .
C14 C 0.3791(7) 0.2575(7) 0.2528(12) 0.054(4) Uani 1 1 d . . . . .
C15 C 0.3734(13) 0.2678(9) 0.1251(12) 0.107(7) Uani 1 1 d . . . . .
H15A H 0.352766 0.307022 0.108045 0.160 Uiso 1 1 calc R U . . .
H15B H 0.343055 0.237097 0.087840 0.160 Uiso 1 1 calc R U . . .
H15C H 0.420801 0.265714 0.098550 0.160 Uiso 1 1 calc R U . . .
C16 C 0.3077(8) 0.3909(7) 0.3818(12) 0.058(4) Uani 1 1 d . . . . .
H16A H 0.303288 0.434088 0.367067 0.070 Uiso 1 1 calc R U . . .
H16B H 0.259486 0.373438 0.373702 0.070 Uiso 1 1 calc R U . . .
C18 C 0.3942(8) 0.1869(7) 0.7556(11) 0.057(4) Uani 1 1 d . . . . .
H18A H 0.442763 0.195887 0.788922 0.069 Uiso 1 1 calc R U . . .
H18B H 0.378992 0.148877 0.787530 0.069 Uiso 1 1 calc R U . . .
Cl2 Cl 0.3088(3) 0.07388(18) 0.9621(3) 0.0689(11) Uani 1 1 d . . . . .
O3 O 0.2876(8) 0.1352(6) 0.9705(12) 0.111(5) Uani 1 1 d . . . . .
O4 O 0.2870(9) 0.0397(6) 1.0523(11) 0.119(5) Uani 1 1 d . . . . .
O5 O 0.3846(8) 0.0718(7) 0.9719(12) 0.109(4) Uani 1 1 d . . . . .
O6 O 0.2859(9) 0.0508(7) 0.8561(10) 0.126(6) Uani 1 1 d . . . . .
C2 C 0.4668(14) 0.5348(13) 0.5727(19) 0.144(9) Uani 1 1 d D U . . .
H2A H 0.445216 0.502517 0.614248 0.172 Uiso 1 1 calc R U . . .
H2B H 0.452387 0.573525 0.602661 0.172 Uiso 1 1 calc R U . . .
O11 O 0.4545(10) 0.4709(8) 0.4181(15) 0.143(6) Uani 1 1 d . . . . .
C17 C 0.4450(12) 0.5304(11) 0.4521(19) 0.114(7) Uani 1 1 d D U . . .
H17A H 0.394625 0.542055 0.436912 0.136 Uiso 1 1 calc R U . . .
H17B H 0.474201 0.557414 0.410026 0.136 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 2.690(3) . ?
Dy1 O1 2.222(9) 7_556 ?
Dy1 O1 2.214(9) . ?
Dy1 N1 2.427(12) . ?
Dy1 N2 2.455(10) . ?
Dy1 N3 2.442(11) . ?
Dy1 N4 2.434(10) . ?
Dy1 N5 2.443(10) . ?
O1 O1 1.431(19) 7_556 ?
N1 H1 0.9800 . ?
N1 C3 1.478(17) . ?
N1 C16 1.475(16) . ?
N2 H2 0.9800 . ?
N2 C10 1.461(16) . ?
N2 C12 1.484(16) . ?
N3 C6 1.269(16) . ?
N3 C18 1.449(16) . ?
N4 C1 1.356(17) . ?
N4 C4 1.320(15) . ?
N5 C8 1.474(18) . ?
N5 C14 1.270(16) . ?
C1 C6 1.48(2) . ?
C1 C13 1.374(19) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C19 C6 1.506(19) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C9 1.52(2) . ?
C4 C5 1.364(19) . ?
C4 C14 1.48(2) . ?
C5 H5 0.9300 . ?
C5 C7 1.38(2) . ?
C7 H7 0.9300 . ?
C7 C13 1.35(2) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C16 1.49(2) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C12 1.50(2) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C18 1.513(19) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13 0.9300 . ?
C14 C15 1.514(19) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
Cl2 O3 1.414(13) . ?
Cl2 O4 1.392(13) . ?
Cl2 O5 1.400(14) . ?
Cl2 O6 1.378(12) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 O11 1.46(3) 5_666 ?
C2 C17 1.444(10) . ?
O11 C17 1.39(2) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?

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 Dy1 Cl1 164.4(3) 7_556 . ?
O1 Dy1 Cl1 157.9(3) . . ?
O1 Dy1 O1 37.6(5) . 7_556 ?
O1 Dy1 N1 81.8(4) . . ?
O1 Dy1 N1 107.7(4) 7_556 . ?
O1 Dy1 N2 81.2(3) . . ?
O1 Dy1 N2 109.8(4) 7_556 . ?
O1 Dy1 N3 87.5(4) 7_556 . ?
O1 Dy1 N3 100.9(5) . . ?
O1 Dy1 N4 75.0(3) 7_556 . ?
O1 Dy1 N4 112.6(3) . . ?
O1 Dy1 N5 101.9(4) . . ?
O1 Dy1 N5 85.0(4) 7_556 . ?
N1 Dy1 Cl1 82.9(2) . . ?
N1 Dy1 N2 85.5(3) . . ?
N1 Dy1 N3 155.4(3) . . ?
N1 Dy1 N4 135.9(3) . . ?
N1 Dy1 N5 70.8(4) . . ?
N2 Dy1 Cl1 81.8(2) . . ?
N3 Dy1 Cl1 86.7(2) . . ?
N3 Dy1 N2 70.9(3) . . ?
N3 Dy1 N5 131.1(4) . . ?
N4 Dy1 Cl1 89.5(2) . . ?
N4 Dy1 N2 136.3(3) . . ?
N4 Dy1 N3 65.9(3) . . ?
N4 Dy1 N5 65.5(4) . . ?
N5 Dy1 Cl1 87.9(2) . . ?
N5 Dy1 N2 155.3(3) . . ?
Dy1 O1 Dy1 142.4(5) . 7_556 ?
O1 O1 Dy1 71.5(7) 7_556 . ?
O1 O1 Dy1 70.9(7) 7_556 7_556 ?
Dy1 N1 H1 107.1 . . ?
C3 N1 Dy1 117.1(9) . . ?
C3 N1 H1 107.1 . . ?
C16 N1 Dy1 107.9(8) . . ?
C16 N1 H1 107.1 . . ?
C16 N1 C3 110.0(11) . . ?
Dy1 N2 H2 106.8 . . ?
C10 N2 Dy1 106.4(7) . . ?
C10 N2 H2 106.8 . . ?
C10 N2 C12 112.6(10) . . ?
C12 N2 Dy1 116.9(8) . . ?
C12 N2 H2 106.8 . . ?
C6 N3 Dy1 121.1(9) . . ?
C6 N3 C18 124.1(12) . . ?
C18 N3 Dy1 114.8(8) . . ?
C1 N4 Dy1 119.1(8) . . ?
C4 N4 Dy1 119.8(9) . . ?
C4 N4 C1 119.8(12) . . ?
C8 N5 Dy1 114.2(9) . . ?
C14 N5 Dy1 120.5(9) . . ?
C14 N5 C8 125.0(12) . . ?
N4 C1 C6 115.2(12) . . ?
N4 C1 C13 120.7(14) . . ?
C13 C1 C6 124.1(14) . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C6 C19 H19A 109.5 . . ?
C6 C19 H19B 109.5 . . ?
C6 C19 H19C 109.5 . . ?
N1 C3 H3A 108.9 . . ?
N1 C3 H3B 108.9 . . ?
N1 C3 C9 113.3(12) . . ?
H3A C3 H3B 107.7 . . ?
C9 C3 H3A 108.9 . . ?
C9 C3 H3B 108.9 . . ?
N4 C4 C5 122.4(15) . . ?
N4 C4 C14 115.6(12) . . ?
C5 C4 C14 121.8(14) . . ?
C4 C5 H5 121.3 . . ?
C4 C5 C7 117.3(16) . . ?
C7 C5 H5 121.3 . . ?
N3 C6 C1 117.7(12) . . ?
N3 C6 C19 124.5(14) . . ?
C1 C6 C19 117.8(13) . . ?
C5 C7 H7 119.3 . . ?
C13 C7 C5 121.5(15) . . ?
C13 C7 H7 119.3 . . ?
N5 C8 H8A 109.4 . . ?
N5 C8 H8B 109.4 . . ?
N5 C8 C16 111.2(12) . . ?
H8A C8 H8B 108.0 . . ?
C16 C8 H8A 109.4 . . ?
C16 C8 H8B 109.4 . . ?
C3 C9 H9A 107.7 . . ?
C3 C9 H9B 107.7 . . ?
H9A C9 H9B 107.1 . . ?
C12 C9 C3 118.3(13) . . ?
C12 C9 H9A 107.7 . . ?
C12 C9 H9B 107.7 . . ?
N2 C10 H10A 109.3 . . ?
N2 C10 H10B 109.3 . . ?
N2 C10 C18 111.7(10) . . ?
H10A C10 H10B 107.9 . . ?
C18 C10 H10A 109.3 . . ?
C18 C10 H10B 109.3 . . ?
N2 C12 C9 114.2(11) . . ?
N2 C12 H12A 108.7 . . ?
N2 C12 H12B 108.7 . . ?
C9 C12 H12A 108.7 . . ?
C9 C12 H12B 108.7 . . ?
H12A C12 H12B 107.6 . . ?
C1 C13 H13 120.8 . . ?
C7 C13 C1 118.3(16) . . ?
C7 C13 H13 120.8 . . ?
N5 C14 C4 117.5(12) . . ?
N5 C14 C15 123.8(15) . . ?
C4 C14 C15 118.6(13) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N1 C16 C8 111.0(12) . . ?
N1 C16 H16A 109.4 . . ?
N1 C16 H16B 109.4 . . ?
C8 C16 H16A 109.4 . . ?
C8 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
N3 C18 C10 110.1(10) . . ?
N3 C18 H18A 109.6 . . ?
N3 C18 H18B 109.6 . . ?
C10 C18 H18A 109.6 . . ?
C10 C18 H18B 109.6 . . ?
H18A C18 H18B 108.2 . . ?
O4 Cl2 O3 111.2(9) . . ?
O4 Cl2 O5 106.1(9) . . ?
O5 Cl2 O3 108.0(9) . . ?
O6 Cl2 O3 110.6(9) . . ?
O6 Cl2 O4 113.9(9) . . ?
O6 Cl2 O5 106.7(10) . . ?
H2A C2 H2B 108.9 . . ?
O11 C2 H2A 110.8 5_666 . ?
O11 C2 H2B 110.8 5_666 . ?
C17 C2 H2A 110.8 . . ?
C17 C2 H2B 110.8 . . ?
C17 C2 O11 104.8(19) . 5_666 ?
C17 O11 C2 102.2(17) . 5_666 ?
C2 C17 H17A 110.0 . . ?
C2 C17 H17B 110.0 . . ?
O11 C17 C2 108(2) . . ?
O11 C17 H17A 110.0 . . ?
O11 C17 H17B 110.0 . . ?
H17A C17 H17B 108.4 . . ?

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 N1 C3 C9 56.3(15) . . . . ?
Dy1 N1 C16 C8 -54.1(13) . . . . ?
Dy1 N2 C10 C18 54.5(11) . . . . ?
Dy1 N2 C12 C9 -53.6(14) . . . . ?
Dy1 N3 C6 C1 3.1(14) . . . . ?
Dy1 N3 C6 C19 -173.2(10) . . . . ?
Dy1 N3 C18 C10 24.9(14) . . . . ?
Dy1 N4 C1 C6 -11.1(13) . . . . ?
Dy1 N4 C1 C13 165.2(10) . . . . ?
Dy1 N4 C4 C5 -164.1(10) . . . . ?
Dy1 N4 C4 C14 9.7(14) . . . . ?
Dy1 N5 C8 C16 -22.8(14) . . . . ?
Dy1 N5 C14 C4 -6.9(15) . . . . ?
Dy1 N5 C14 C15 170.3(12) . . . . ?
N1 C3 C9 C12 -78.0(18) . . . . ?
N2 C10 C18 N3 -54.6(15) . . . . ?
N4 C1 C6 N3 5.3(16) . . . . ?
N4 C1 C6 C19 -178.2(12) . . . . ?
N4 C1 C13 C7 0(2) . . . . ?
N4 C4 C5 C7 -2(2) . . . . ?
N4 C4 C14 N5 -1.8(17) . . . . ?
N4 C4 C14 C15 -179.2(13) . . . . ?
N5 C8 C16 N1 52.0(16) . . . . ?
C1 N4 C4 C5 2.8(18) . . . . ?
C1 N4 C4 C14 176.6(10) . . . . ?
C3 N1 C16 C8 177.1(12) . . . . ?
C3 C9 C12 N2 76.6(17) . . . . ?
C4 N4 C1 C6 -178.1(10) . . . . ?
C4 N4 C1 C13 -1.8(18) . . . . ?
C4 C5 C7 C13 1(3) . . . . ?
C5 C4 C14 N5 172.0(12) . . . . ?
C5 C4 C14 C15 -5(2) . . . . ?
C5 C7 C13 C1 0(3) . . . . ?
C6 N3 C18 C10 -153.4(12) . . . . ?
C6 C1 C13 C7 176.4(14) . . . . ?
C8 N5 C14 C4 179.5(12) . . . . ?
C8 N5 C14 C15 -3(2) . . . . ?
C10 N2 C12 C9 -177.3(12) . . . . ?
C12 N2 C10 C18 -176.2(11) . . . . ?
C13 C1 C6 N3 -170.9(13) . . . . ?
C13 C1 C6 C19 5.7(19) . . . . ?
C14 N5 C8 C16 151.2(13) . . . . ?
C14 C4 C5 C7 -175.7(14) . . . . ?
C16 N1 C3 C9 179.9(12) . . . . ?
C18 N3 C6 C1 -178.6(11) . . . . ?
C18 N3 C6 C19 5(2) . . . . ?
C2 O11 C17 C2 -70(2) 5_666 . . . ?
O11 C2 C17 O11 71(2) 5_666 . . . ?

_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 2.085
_oxdiff_exptl_absorpt_empirical_full_min 0.673

# start Validation Reply Form
_vrf_PLAT342_wjl-170-3_auto      
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02231 Ang.
RESPONSE: The quality of this crystal was poor.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_wjl_165
_database_code_depnum_ccdc_archive 'CCDC 2344863'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2024-04-01 deposited with the CCDC.	2025-06-16 downloaded from the CCDC.
;
_audit_creation_date             2022-04-26
_audit_creation_method           
;
Olex2 1.5-beta
(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         'C16 H27 Cl2 Dy N5 O, Cl O4'
_chemical_formula_sum            'C16 H27 Cl3 Dy N5 O5'
_chemical_formula_weight         638.27
_chemical_melting_point          ?
_chemical_oxdiff_formula         DyCNO
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.7379(3)
_cell_length_b                   11.3821(4)
_cell_length_c                   11.4772(4)
_cell_angle_alpha                92.571(2)
_cell_angle_beta                 99.667(3)
_cell_angle_gamma                90.403(3)
_cell_volume                     1124.01(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7191
_cell_measurement_temperature    213.00(10)
_cell_measurement_theta_max      75.3900
_cell_measurement_theta_min      3.8750
_shelx_estimated_absorpt_T_max   0.360
_shelx_estimated_absorpt_T_min   0.316
_exptl_absorpt_coefficient_mu    21.399
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.41139
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.119a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.886
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             630
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0580
_diffrn_reflns_av_unetI/netI     0.0588
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            10919
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        67.065
_diffrn_reflns_theta_max         67.065
_diffrn_reflns_theta_min         3.888
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      213.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    107.00 162.00   1.00    0.30    --  105.98  30.00   0.00   55
  2  ω    149.00 175.00   1.00    0.30    --  105.98  45.00 -90.00   26
  3  ω     94.00 172.00   1.00    0.30    --  105.98  30.00 -60.00   78
  4  ω     96.00 122.00   1.00    0.30    --  105.98  45.00 -90.00   26
  5  ω     93.00 168.00   1.00    0.30    --  105.98  51.00-153.00   75
  6  ω     46.00 114.00   1.00    0.10    --   48.46  51.00-153.00   68
  7  ω    -50.00 -21.00   1.00    0.30    --  -91.75  45.00  30.00   29
  8  ω    -85.00 -22.00   1.00    0.30    --  -91.75 125.00 120.00   63
  9  ω    -62.00 -19.00   1.00    0.30    --  -91.75  61.00   0.00   43
 10  ω    -52.00 -20.00   1.00    0.30    --  -91.75  51.00-153.00   32
 11  ω    -38.00  10.00   1.00    0.10    --  -48.46  51.00-153.00   48
 12  ω   -144.00 -97.00   1.00    0.30    --  -91.75 -51.00  61.00   47
 13  ω   -110.00 -84.00   1.00    0.10    --  -48.46-125.00   0.00   26
 14  ω   -162.00 -75.00   1.00    0.30    --  -91.75 -61.00 120.00   87
 15  ω   -120.00 -49.00   1.00    0.10    --  -48.46 -51.00  61.00   71
 16  ω     14.00  57.00   1.00    0.10    --   48.46 -51.00  61.00   43
 17  ω     49.00  97.00   1.00    0.30    --  105.98 -77.00 150.00   48
 18  ω    -20.00   6.00   1.00    0.10    --   48.46 -51.00  61.00   26
 19  ω     33.00 105.00   1.00    0.30    --  105.98 -77.00-120.00   72
 20  ω     34.00  98.00   1.00    0.30    --  105.98 -94.00 -30.00   64
 21  ω     38.00 112.00   1.00    0.30    --  105.98-125.00 -90.00   74
 22  ω     38.00  80.00   1.00    0.30    --  105.98-125.00  90.00   42
 23  ω     85.00 112.00   1.00    0.30    --  105.98-125.00  90.00   27
 24  ω     34.00 112.00   1.00    0.30    --  105.98-125.00 150.00   78
 25  ω     35.00  78.00   1.00    0.30    --  105.98-125.00 120.00   43
 26  ω     82.00 108.00   1.00    0.30    --  105.98-125.00 120.00   26
 27  ω     43.00 111.00   1.00    0.30    --  105.98-125.00  60.00   68
 28  ω      0.00  81.00   1.00    0.10    --   48.46 -99.00  60.00   81
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1621950000
_diffrn_orient_matrix_UB_12      -0.0587027000
_diffrn_orient_matrix_UB_13      -0.0182278000
_diffrn_orient_matrix_UB_21      -0.0441347000
_diffrn_orient_matrix_UB_22      0.0611773000
_diffrn_orient_matrix_UB_23      -0.1177561000
_diffrn_orient_matrix_UB_31      0.0611442000
_diffrn_orient_matrix_UB_32      -0.1056965000
_diffrn_orient_matrix_UB_33      -0.0661950000
_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                3711
_reflns_number_total             3975
_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 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.141
_refine_diff_density_min         -0.780
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         3975
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0345
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0494P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0862
_refine_ls_wR_factor_ref         0.0875
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Rotating group:
 O1(H1A,H1B)
2.b Ternary CH refined with riding coordinates:
 N4(H4), N3(H3)
2.c Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C14(H14A,H14B), C2(H2A,H2B), C5(H5A,H5B), C13(H13A,H13B),
 C7(H7A,H7B), C15(H15A,H15B)
2.d Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C11(H11)
2.e Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C3(H3A,H3B,H3C)
;
_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 0.49663(2) 0.21085(2) 0.76639(2) 0.02129(11) Uani 1 1 d . . . . .
Cl1 Cl 0.67156(12) 0.41033(8) 0.80694(9) 0.0308(2) Uani 1 1 d . . . . .
Cl3 Cl 0.05143(12) 0.17606(9) 0.35327(10) 0.0337(2) Uani 1 1 d . . . . .
Cl2 Cl 0.46897(14) -0.01867(9) 0.81405(10) 0.0379(3) Uani 1 1 d . . . . .
N1 N 0.3428(4) 0.3564(3) 0.6470(3) 0.0233(7) Uani 1 1 d . . . . .
O1 O 0.2514(4) 0.1284(3) 0.6621(3) 0.0456(8) Uani 1 1 d . . . . .
H1A H 0.244079 0.055460 0.678000 0.068 Uiso 1 1 d R U . . .
H1B H 0.251732 0.126859 0.586866 0.068 Uiso 1 1 d R U . . .
N4 N 0.5854(4) 0.2071(3) 0.9832(3) 0.0296(8) Uani 1 1 d . . . . .
H4 H 0.546323 0.131084 1.006079 0.036 Uiso 1 1 calc R U . . .
N5 N 0.5527(4) 0.2232(3) 0.5664(3) 0.0267(7) Uani 1 1 d . . . . .
N3 N 0.7585(4) 0.1267(3) 0.7552(3) 0.0282(8) Uani 1 1 d . . . . .
H3 H 0.740993 0.040459 0.746412 0.034 Uiso 1 1 calc R U . . .
N2 N 0.3200(4) 0.3259(3) 0.8702(3) 0.0306(8) Uani 1 1 d . . . . .
O4 O 0.0347(5) 0.2298(4) 0.4678(4) 0.0590(10) Uani 1 1 d . . . . .
O5 O -0.0688(5) 0.0924(4) 0.3152(4) 0.0643(11) Uani 1 1 d . . . . .
O3 O 0.1991(5) 0.1200(4) 0.3705(5) 0.0637(12) Uani 1 1 d . . . . .
O2 O 0.0514(6) 0.2654(4) 0.2712(4) 0.0604(11) Uani 1 1 d . . . . .
C1 C 0.3629(5) 0.3709(4) 0.5351(4) 0.0256(8) Uani 1 1 d . . . . .
C4 C 0.2430(5) 0.4248(3) 0.6945(4) 0.0263(9) Uani 1 1 d . . . . .
C6 C 0.2286(5) 0.4025(4) 0.8201(4) 0.0287(9) Uani 1 1 d . . . . .
C8 C 0.2865(5) 0.4582(4) 0.4670(4) 0.0317(10) Uani 1 1 d . . . . .
H8 H 0.301811 0.467377 0.388762 0.038 Uiso 1 1 calc R U . . .
C10 C 0.7526(6) 0.2089(4) 1.0306(4) 0.0381(11) Uani 1 1 d . . . . .
H10A H 0.766363 0.198408 1.116004 0.046 Uiso 1 1 calc R U . . .
H10B H 0.795257 0.286559 1.019030 0.046 Uiso 1 1 calc R U . . .
C12 C 0.4772(5) 0.2906(4) 0.4898(4) 0.0271(9) Uani 1 1 d . . . . .
C14 C 0.8452(6) 0.1160(5) 0.9753(5) 0.0419(11) Uani 1 1 d . . . . .
H14A H 0.785413 0.041982 0.965630 0.050 Uiso 1 1 calc R U . . .
H14B H 0.941440 0.103177 1.030446 0.050 Uiso 1 1 calc R U . . .
C16 C 0.1111(6) 0.4704(4) 0.8749(5) 0.0415(12) Uani 1 1 d . . . . .
H16A H 0.007871 0.440489 0.842181 0.062 Uiso 1 1 calc R U . . .
H16B H 0.118717 0.552846 0.858185 0.062 Uiso 1 1 calc R U . . .
H16C H 0.130382 0.461997 0.959783 0.062 Uiso 1 1 calc R U . . .
C2 C 0.6776(6) 0.1462(4) 0.5406(4) 0.0344(10) Uani 1 1 d . . . . .
H2A H 0.712581 0.168786 0.467872 0.041 Uiso 1 1 calc R U . . .
H2B H 0.640622 0.064352 0.529829 0.041 Uiso 1 1 calc R U . . .
C9 C 0.1637(5) 0.5145(4) 0.6316(5) 0.0356(10) Uani 1 1 d . . . . .
H9 H 0.095335 0.563005 0.666107 0.043 Uiso 1 1 calc R U . . .
C5 C 0.8874(5) 0.1443(4) 0.8554(5) 0.0387(11) Uani 1 1 d . . . . .
H5A H 0.923133 0.226418 0.859106 0.046 Uiso 1 1 calc R U . . .
H5B H 0.973951 0.094681 0.840662 0.046 Uiso 1 1 calc R U . . .
C11 C 0.1881(6) 0.5303(4) 0.5178(5) 0.0397(11) Uani 1 1 d . . . . .
H11 H 0.137000 0.591019 0.474571 0.048 Uiso 1 1 calc R U . . .
C3 C 0.4927(6) 0.2956(5) 0.3623(4) 0.0373(11) Uani 1 1 d . . . . .
H3A H 0.571985 0.241476 0.345057 0.056 Uiso 1 1 calc R U . . .
H3B H 0.521728 0.374908 0.346109 0.056 Uiso 1 1 calc R U . . .
H3C H 0.394308 0.273790 0.313085 0.056 Uiso 1 1 calc R U . . .
C13 C 0.5051(7) 0.2982(4) 1.0463(4) 0.0401(12) Uani 1 1 d . . . . .
H13A H 0.551470 0.375655 1.038963 0.048 Uiso 1 1 calc R U . . .
H13B H 0.518519 0.282154 1.130529 0.048 Uiso 1 1 calc R U . . .
C7 C 0.3320(6) 0.2992(5) 0.9947(4) 0.0412(12) Uani 1 1 d . . . . .
H7A H 0.284141 0.222334 1.001981 0.049 Uiso 1 1 calc R U . . .
H7B H 0.279215 0.359022 1.036791 0.049 Uiso 1 1 calc R U . . .
C15 C 0.8097(5) 0.1593(4) 0.6442(4) 0.0343(10) Uani 1 1 d . . . . .
H15A H 0.895331 0.108769 0.629230 0.041 Uiso 1 1 calc R U . . .
H15B H 0.847850 0.240897 0.652596 0.041 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 2.7065(10) . ?
Dy1 Cl2 2.7104(10) . ?
Dy1 N1 2.459(3) . ?
Dy1 O1 2.432(3) . ?
Dy1 N4 2.481(3) . ?
Dy1 N5 2.436(3) . ?
Dy1 N3 2.508(3) . ?
Dy1 N2 2.455(3) . ?
Cl3 O4 1.455(4) . ?
Cl3 O5 1.413(4) . ?
Cl3 O3 1.431(4) . ?
Cl3 O2 1.417(4) . ?
N1 C1 1.343(5) . ?
N1 C4 1.339(5) . ?
O1 H1A 0.8628 . ?
O1 H1B 0.8628 . ?
N4 H4 0.9900 . ?
N4 C10 1.470(6) . ?
N4 C13 1.485(6) . ?
N5 C12 1.292(5) . ?
N5 C2 1.464(6) . ?
N3 H3 0.9900 . ?
N3 C5 1.474(6) . ?
N3 C15 1.481(6) . ?
N2 C6 1.276(6) . ?
N2 C7 1.460(6) . ?
C1 C8 1.396(6) . ?
C1 C12 1.499(6) . ?
C4 C6 1.501(6) . ?
C4 C9 1.397(6) . ?
C6 C16 1.493(6) . ?
C8 H8 0.9400 . ?
C8 C11 1.375(7) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 C14 1.518(7) . ?
C12 C3 1.495(6) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 C5 1.530(8) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 C15 1.513(7) . ?
C9 H9 0.9400 . ?
C9 C11 1.377(7) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C11 H11 0.9400 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 H3C 0.9700 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 C7 1.529(8) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 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
Cl1 Dy1 Cl2 146.78(3) . . ?
N1 Dy1 Cl1 75.77(8) . . ?
N1 Dy1 Cl2 137.44(8) . . ?
N1 Dy1 N4 130.71(11) . . ?
N1 Dy1 N3 131.38(11) . . ?
O1 Dy1 Cl1 143.66(8) . . ?
O1 Dy1 Cl2 69.54(8) . . ?
O1 Dy1 N1 67.90(11) . . ?
O1 Dy1 N4 124.79(13) . . ?
O1 Dy1 N5 82.66(13) . . ?
O1 Dy1 N3 124.94(13) . . ?
O1 Dy1 N2 81.33(13) . . ?
N4 Dy1 Cl1 78.99(9) . . ?
N4 Dy1 Cl2 76.04(9) . . ?
N4 Dy1 N3 83.81(12) . . ?
N5 Dy1 Cl1 83.29(9) . . ?
N5 Dy1 Cl2 108.92(9) . . ?
N5 Dy1 N1 65.46(11) . . ?
N5 Dy1 N4 150.57(12) . . ?
N5 Dy1 N3 70.14(12) . . ?
N5 Dy1 N2 130.42(12) . . ?
N3 Dy1 Cl1 80.47(9) . . ?
N3 Dy1 Cl2 75.39(9) . . ?
N2 Dy1 Cl1 82.69(9) . . ?
N2 Dy1 Cl2 108.63(9) . . ?
N2 Dy1 N1 65.02(11) . . ?
N2 Dy1 N4 70.33(12) . . ?
N2 Dy1 N3 151.38(13) . . ?
O5 Cl3 O4 110.2(3) . . ?
O5 Cl3 O3 110.4(3) . . ?
O5 Cl3 O2 111.5(3) . . ?
O3 Cl3 O4 106.0(3) . . ?
O2 Cl3 O4 109.0(3) . . ?
O2 Cl3 O3 109.5(3) . . ?
C1 N1 Dy1 120.0(2) . . ?
C4 N1 Dy1 120.3(3) . . ?
C4 N1 C1 119.6(3) . . ?
Dy1 O1 H1A 109.5 . . ?
Dy1 O1 H1B 109.4 . . ?
H1A O1 H1B 104.4 . . ?
Dy1 N4 H4 105.0 . . ?
C10 N4 Dy1 119.6(3) . . ?
C10 N4 H4 105.0 . . ?
C10 N4 C13 110.3(4) . . ?
C13 N4 Dy1 110.5(3) . . ?
C13 N4 H4 105.0 . . ?
C12 N5 Dy1 122.7(3) . . ?
C12 N5 C2 123.3(4) . . ?
C2 N5 Dy1 114.0(3) . . ?
Dy1 N3 H3 105.0 . . ?
C5 N3 Dy1 120.5(3) . . ?
C5 N3 H3 105.0 . . ?
C5 N3 C15 109.9(4) . . ?
C15 N3 Dy1 110.1(2) . . ?
C15 N3 H3 105.0 . . ?
C6 N2 Dy1 122.9(3) . . ?
C6 N2 C7 123.8(4) . . ?
C7 N2 Dy1 113.3(3) . . ?
N1 C1 C8 121.9(4) . . ?
N1 C1 C12 115.8(3) . . ?
C8 C1 C12 122.3(4) . . ?
N1 C4 C6 115.8(4) . . ?
N1 C4 C9 121.3(4) . . ?
C9 C4 C6 122.8(4) . . ?
N2 C6 C4 115.8(4) . . ?
N2 C6 C16 126.1(4) . . ?
C16 C6 C4 118.1(4) . . ?
C1 C8 H8 121.0 . . ?
C11 C8 C1 118.0(4) . . ?
C11 C8 H8 121.0 . . ?
N4 C10 H10A 108.6 . . ?
N4 C10 H10B 108.6 . . ?
N4 C10 C14 114.7(4) . . ?
H10A C10 H10B 107.6 . . ?
C14 C10 H10A 108.6 . . ?
C14 C10 H10B 108.6 . . ?
N5 C12 C1 115.7(4) . . ?
N5 C12 C3 126.5(4) . . ?
C3 C12 C1 117.7(4) . . ?
C10 C14 H14A 108.4 . . ?
C10 C14 H14B 108.4 . . ?
C10 C14 C5 115.6(4) . . ?
H14A C14 H14B 107.5 . . ?
C5 C14 H14A 108.4 . . ?
C5 C14 H14B 108.4 . . ?
C6 C16 H16A 109.5 . . ?
C6 C16 H16B 109.5 . . ?
C6 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N5 C2 H2A 110.2 . . ?
N5 C2 H2B 110.2 . . ?
N5 C2 C15 107.7(4) . . ?
H2A C2 H2B 108.5 . . ?
C15 C2 H2A 110.2 . . ?
C15 C2 H2B 110.2 . . ?
C4 C9 H9 120.7 . . ?
C11 C9 C4 118.5(4) . . ?
C11 C9 H9 120.7 . . ?
N3 C5 C14 114.1(4) . . ?
N3 C5 H5A 108.7 . . ?
N3 C5 H5B 108.7 . . ?
C14 C5 H5A 108.7 . . ?
C14 C5 H5B 108.7 . . ?
H5A C5 H5B 107.6 . . ?
C8 C11 C9 120.6(4) . . ?
C8 C11 H11 119.7 . . ?
C9 C11 H11 119.7 . . ?
C12 C3 H3A 109.5 . . ?
C12 C3 H3B 109.5 . . ?
C12 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N4 C13 H13A 109.6 . . ?
N4 C13 H13B 109.6 . . ?
N4 C13 C7 110.5(4) . . ?
H13A C13 H13B 108.1 . . ?
C7 C13 H13A 109.6 . . ?
C7 C13 H13B 109.6 . . ?
N2 C7 C13 106.8(4) . . ?
N2 C7 H7A 110.4 . . ?
N2 C7 H7B 110.4 . . ?
C13 C7 H7A 110.4 . . ?
C13 C7 H7B 110.4 . . ?
H7A C7 H7B 108.6 . . ?
N3 C15 C2 110.9(4) . . ?
N3 C15 H15A 109.5 . . ?
N3 C15 H15B 109.5 . . ?
C2 C15 H15A 109.5 . . ?
C2 C15 H15B 109.5 . . ?
H15A C15 H15B 108.0 . . ?

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 N1 C1 C8 -175.3(3) . . . . ?
Dy1 N1 C1 C12 2.4(5) . . . . ?
Dy1 N1 C4 C6 -2.3(5) . . . . ?
Dy1 N1 C4 C9 174.7(3) . . . . ?
Dy1 N4 C10 C14 -52.3(5) . . . . ?
Dy1 N4 C13 C7 43.7(4) . . . . ?
Dy1 N5 C12 C1 6.1(5) . . . . ?
Dy1 N5 C12 C3 -173.7(3) . . . . ?
Dy1 N5 C2 C15 -45.6(4) . . . . ?
Dy1 N3 C5 C14 49.0(5) . . . . ?
Dy1 N3 C15 C2 -42.9(4) . . . . ?
Dy1 N2 C6 C4 -4.1(5) . . . . ?
Dy1 N2 C6 C16 175.9(4) . . . . ?
Dy1 N2 C7 C13 46.5(5) . . . . ?
N1 C1 C8 C11 -0.1(6) . . . . ?
N1 C1 C12 N5 -5.4(5) . . . . ?
N1 C1 C12 C3 174.4(4) . . . . ?
N1 C4 C6 N2 4.1(6) . . . . ?
N1 C4 C6 C16 -175.9(4) . . . . ?
N1 C4 C9 C11 1.2(7) . . . . ?
N4 C10 C14 C5 80.1(6) . . . . ?
N4 C13 C7 N2 -60.4(5) . . . . ?
N5 C2 C15 N3 59.3(5) . . . . ?
C1 N1 C4 C6 -179.8(4) . . . . ?
C1 N1 C4 C9 -2.8(6) . . . . ?
C1 C8 C11 C9 -1.5(7) . . . . ?
C4 N1 C1 C8 2.2(6) . . . . ?
C4 N1 C1 C12 179.9(4) . . . . ?
C4 C9 C11 C8 0.9(7) . . . . ?
C6 N2 C7 C13 -132.6(4) . . . . ?
C6 C4 C9 C11 178.0(4) . . . . ?
C8 C1 C12 N5 172.3(4) . . . . ?
C8 C1 C12 C3 -7.9(6) . . . . ?
C10 N4 C13 C7 178.3(4) . . . . ?
C10 C14 C5 N3 -77.7(6) . . . . ?
C12 N5 C2 C15 135.2(4) . . . . ?
C12 C1 C8 C11 -177.6(4) . . . . ?
C2 N5 C12 C1 -174.8(4) . . . . ?
C2 N5 C12 C3 5.3(7) . . . . ?
C9 C4 C6 N2 -172.9(4) . . . . ?
C9 C4 C6 C16 7.1(6) . . . . ?
C5 N3 C15 C2 -177.9(4) . . . . ?
C13 N4 C10 C14 177.9(4) . . . . ?
C7 N2 C6 C4 174.9(4) . . . . ?
C7 N2 C6 C16 -5.1(7) . . . . ?
C15 N3 C5 C14 178.5(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 2.258
_oxdiff_exptl_absorpt_empirical_full_min 0.506
####################################################################### 
# 
# 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_wjl_267_2
_database_code_depnum_ccdc_archive 'CCDC 2344862'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2024-04-01 deposited with the CCDC.	2025-06-16 downloaded from the CCDC.
;
_audit_creation_date             2022-12-14
_audit_creation_method           
;
Olex2 1.5-beta
(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         'C28 H29 Cl5 Dy N7 O6, H2 O'
_chemical_formula_sum            'C28 H31 Cl5 Dy N7 O7'
_chemical_formula_weight         917.35
_chemical_melting_point          ?
_chemical_oxdiff_formula         DyPCHO
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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.4315(5)
_cell_length_b                   11.5831(2)
_cell_length_c                   20.6777(7)
_cell_angle_alpha                90
_cell_angle_beta                 111.771(4)
_cell_angle_gamma                90
_cell_volume                     3432.4(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5994
_cell_measurement_temperature    293
_cell_measurement_theta_max      75.8130
_cell_measurement_theta_min      4.4360
_shelx_estimated_absorpt_T_max   0.650
_shelx_estimated_absorpt_T_min   0.145
_exptl_absorpt_coefficient_mu    15.706
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.09945
_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    1.775
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1820
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1371
_diffrn_reflns_av_unetI/netI     0.0785
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            36462
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.079
_diffrn_reflns_theta_max         67.079
_diffrn_reflns_theta_min         4.458
_diffrn_ambient_temperature      293.00
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_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     41.00 119.00   1.00    0.20    --  106.65-136.00 139.00   78
  2  ω     60.00 100.00   1.00    0.20    --  106.65-133.00 -42.00   40
  3  ω   -121.00 -73.00   1.00    0.10    --  -48.42-125.00 -30.00   48
  4  ω   -115.00 -73.00   1.00    0.10    --  -48.42-125.00  90.00   42
  5  ω   -163.00 -86.00   1.00    0.20    --  -91.75 -99.00  90.00   77
  6  ω    -89.00 -51.00   1.00    0.10    --  -48.42 133.00  25.00   38
  7  ω     99.00 141.00   1.00    0.20    --  106.65  36.00 161.00   42
  8  ω     40.00  65.00   1.00    0.20    --  106.65 -57.00  90.00   25
  9  ω    -21.00   7.00   1.00    0.10    --   48.42 -38.00 -90.00   28
 10  ω     18.00  43.00   1.00    0.10    --   48.42 -38.00 -90.00   25
 11  ω     40.00  65.00   1.00    0.20    --  106.65 -57.00-180.00   25
 12  ω    138.00 178.00   1.00    0.20    --  106.65  85.00 -39.00   40
 13  ω     67.00 102.00   1.00    0.20    --  106.65 -85.00-157.00   35
 14  ω    -27.00  11.00   1.00    0.10    --  -48.42  19.00 -30.00   38
 15  ω   -120.00 -73.00   1.00    0.10    --  -48.42-125.00-150.00   47
 16  ω    -65.00 -22.00   1.00    0.20    --  -91.75  57.00   0.00   43
 17  ω     34.00 104.00   1.00    0.20    --  106.65 -77.00   0.00   70
 18  ω     34.00  66.00   1.00    0.20    --  106.65 -57.00-150.00   32
 19  ω     35.00  65.00   1.00    0.20    --  106.65 -57.00   0.00   30
 20  ω     56.00 105.00   1.00    0.20    --  106.65 -77.00 -30.00   49
 21  ω    106.00 133.00   1.00    0.20    --  106.65 -85.00-157.00   27
;
_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      0.0934512000
_diffrn_orient_matrix_UB_12      -0.0076138000
_diffrn_orient_matrix_UB_13      -0.0107448000
_diffrn_orient_matrix_UB_21      -0.0494234000
_diffrn_orient_matrix_UB_22      -0.0612129000
_diffrn_orient_matrix_UB_23      -0.0702546000
_diffrn_orient_matrix_UB_31      -0.0196359000
_diffrn_orient_matrix_UB_32      0.1178047000
_diffrn_orient_matrix_UB_33      -0.0372152000
_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                4800
_reflns_number_total             6114
_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-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.354
_refine_diff_density_min         -1.055
_refine_diff_density_rms         0.171
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         6114
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0602
_refine_ls_restrained_S_all      1.091
_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)+(0.1168P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1634
_refine_ls_wR_factor_ref         0.1835
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
C7 \\sim C2 \\sim C3 \\sim O5 \\sim O3 \\sim N3: within 2A with sigma of 0.004
and sigma for terminal atoms of 0.008 within 2A
3.a Riding coordinates:
 O2(H2B,H2C), C9(H9A,H9B,H9C), C25(H25A,H25B,H25C)
3.b Ternary CH refined with riding coordinates:
 N7(H7), N2(H2)
3.c Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C24(H24A,H24B), C5(H5A,H5B), C21(H21A,H21B), C11(H11A,H11B),
 C13(H13A,H13B), C27(H27A,H27B)
3.d Aromatic/amide H refined with riding coordinates:
 C6(H6), C28(H28), C7(H7A), C15(H15), C2(H2A), C17(H17), 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
Dy1 Dy 0.35689(3) 0.77958(3) 0.58188(2) 0.03641(18) Uani 1 1 d . . . . .
Cl1 Cl 0.53105(13) 0.80469(15) 0.57335(10) 0.0501(4) Uani 1 1 d . . . . .
Cl4 Cl 0.13909(16) 0.99003(19) 0.56221(12) 0.0677(6) Uani 1 1 d . . . . .
Cl5 Cl 0.29201(18) 0.7115(2) 0.78457(12) 0.0724(7) Uani 1 1 d . . . . .
Cl3 Cl 0.0749(2) 0.8086(2) 0.41426(13) 0.0796(7) Uani 1 1 d . . . . .
Cl2 Cl 0.1972(2) 0.5248(2) 0.63632(14) 0.0827(7) Uani 1 1 d . . . . .
O1 O 0.2160(4) 0.6933(5) 0.5354(3) 0.0555(13) Uani 1 1 d . . . . .
O4 O 0.2846(4) 0.8386(5) 0.6579(3) 0.0554(13) Uani 1 1 d . . . . .
N1 N 0.3509(4) 0.6642(4) 0.4796(3) 0.0362(12) Uani 1 1 d . . . . .
N4 N 0.3164(4) 0.8864(5) 0.4712(3) 0.0432(13) Uani 1 1 d . . . . .
O6 O -0.0574(5) 0.7762(5) 0.7475(4) 0.0739(19) Uani 1 1 d . . . . .
N6 N 0.4145(4) 0.5802(5) 0.6071(3) 0.0431(13) Uani 1 1 d . . . . .
N7 N 0.3887(5) 0.9919(5) 0.6045(3) 0.0483(14) Uani 1 1 d . . . . .
H7 H 0.335142 1.020636 0.614339 0.058 Uiso 1 1 calc R U . . .
N2 N 0.4674(5) 0.7596(5) 0.7076(3) 0.0470(14) Uani 1 1 d . . . . .
H2 H 0.425241 0.751712 0.732971 0.056 Uiso 1 1 calc R U . . .
C1 C 0.2086(5) 0.8418(5) 0.6701(3) 0.0390(15) Uani 1 1 d . . . . .
C4 C 0.3202(5) 0.7115(6) 0.4160(4) 0.0440(17) Uani 1 1 d . . . . .
C6 C 0.1136(6) 0.7793(6) 0.7365(4) 0.0456(17) Uani 1 1 d . . . . .
H6 H 0.109067 0.738914 0.773948 0.055 Uiso 1 1 calc R U . . .
C8 C 0.1277(6) 0.9053(6) 0.6280(4) 0.0461(17) Uani 1 1 d . . . . .
C10 C 0.1314(5) 0.6763(6) 0.5302(4) 0.0461(16) Uani 1 1 d . . . . .
C12 C 0.5170(6) 0.6508(8) 0.7207(4) 0.059(2) Uani 1 1 d . . . . .
H12A H 0.539574 0.633953 0.770115 0.071 Uiso 1 1 calc R U . . .
H12B H 0.570569 0.656943 0.707065 0.071 Uiso 1 1 calc R U . . .
O7 O -0.1185(5) 0.8807(7) 0.6556(4) 0.094(2) Uani 1 1 d . . . . .
C14 C 0.0363(5) 0.8371(6) 0.6899(4) 0.0435(16) Uani 1 1 d . . . . .
C16 C 0.1967(6) 0.7830(6) 0.7261(4) 0.0460(17) Uani 1 1 d . . . . .
C18 C 0.3677(5) 0.5503(6) 0.4869(4) 0.0441(16) Uani 1 1 d . . . . .
C20 C 0.3051(5) 0.8379(6) 0.4132(4) 0.0413(15) Uani 1 1 d . . . . .
C22 C 0.4056(5) 0.5059(6) 0.5600(4) 0.0443(16) Uani 1 1 d . . . . .
N5 N -0.0509(5) 0.8302(6) 0.6977(4) 0.0584(17) Uani 1 1 d . . . . .
C24 C 0.4550(6) 0.5526(6) 0.6807(4) 0.054(2) Uani 1 1 d . . . . .
H24A H 0.491430 0.482354 0.687434 0.065 Uiso 1 1 calc R U . . .
H24B H 0.405602 0.539714 0.698331 0.065 Uiso 1 1 calc R U . . .
C26 C 0.0523(6) 0.7276(6) 0.4777(4) 0.0514(19) Uani 1 1 d . . . . .
C28 C 0.3510(6) 0.4781(7) 0.4287(5) 0.057(2) Uani 1 1 d . . . . .
H28 H 0.362124 0.399103 0.434105 0.069 Uiso 1 1 calc R U . . .
C7 C 0.0194(7) 0.5932(9) 0.5758(5) 0.0718(19) Uani 1 1 d . U . . .
H7A H 0.007234 0.546333 0.607915 0.086 Uiso 1 1 calc R U . . .
C15 C 0.3014(6) 0.6436(7) 0.3555(4) 0.0557(19) Uani 1 1 d . . . . .
H15 H 0.278428 0.676716 0.311403 0.067 Uiso 1 1 calc R U . . .
O2 O 0.7253(6) 0.7589(9) 0.6939(5) 0.100(2) Uani 1 1 d . . . . .
H2B H 0.673499 0.776481 0.662166 0.150 Uiso 1 1 d R U . . .
H2C H 0.765959 0.793341 0.682276 0.150 Uiso 1 1 d R U . . .
C2 C -0.0347(8) 0.7203(8) 0.4762(6) 0.073(2) Uani 1 1 d . U . . .
H2A H -0.083253 0.758706 0.442046 0.088 Uiso 1 1 calc R U . . .
C17 C 0.0441(5) 0.9021(6) 0.6358(4) 0.0458(17) Uani 1 1 d . . . . .
H17 H -0.006906 0.942646 0.605600 0.055 Uiso 1 1 calc R U . . .
C9 C 0.4268(6) 0.3795(6) 0.5707(5) 0.060(2) Uani 1 1 d . . . . .
H9A H 0.464411 0.365639 0.618746 0.090 Uiso 1 1 d R U . . .
H9B H 0.460201 0.355549 0.542006 0.090 Uiso 1 1 d R U . . .
H9C H 0.369741 0.336439 0.558226 0.090 Uiso 1 1 d R U . . .
C19 C 0.1084(6) 0.6036(6) 0.5759(4) 0.0546(19) Uani 1 1 d . . . . .
C5 C 0.5291(6) 0.8555(7) 0.7439(5) 0.062(2) Uani 1 1 d . . . . .
H5A H 0.581567 0.857826 0.728801 0.074 Uiso 1 1 calc R U . . .
H5B H 0.553640 0.839128 0.793432 0.074 Uiso 1 1 calc R U . . .
C21 C 0.4695(7) 1.0300(7) 0.6637(5) 0.064(2) Uani 1 1 d . . . . .
H21A H 0.464191 1.112624 0.668835 0.077 Uiso 1 1 calc R U . . .
H21B H 0.524730 1.016753 0.652927 0.077 Uiso 1 1 calc R U . . .
C11 C 0.4843(8) 0.9737(8) 0.7328(5) 0.070(3) Uani 1 1 d . . . . .
H11A H 0.424272 0.967280 0.737541 0.084 Uiso 1 1 calc R U . . .
H11B H 0.522920 1.024365 0.769532 0.084 Uiso 1 1 calc R U . . .
C23 C 0.3180(7) 0.5276(7) 0.3641(5) 0.063(2) Uani 1 1 d . . . . .
H23 H 0.306681 0.481356 0.325017 0.076 Uiso 1 1 calc R U . . .
C3 C -0.0515(7) 0.6548(9) 0.5262(6) 0.0771(17) Uani 1 1 d . U . . .
C25 C 0.2802(7) 0.8991(8) 0.3439(4) 0.068(2) Uani 1 1 d . . . . .
H25A H 0.253655 0.973259 0.346276 0.102 Uiso 1 1 d R U . . .
H25B H 0.235745 0.853809 0.307906 0.102 Uiso 1 1 d R U . . .
H25C H 0.335505 0.909199 0.333716 0.102 Uiso 1 1 d R U . . .
C13 C 0.3062(6) 1.0133(6) 0.4767(5) 0.055(2) Uani 1 1 d . . . . .
H13A H 0.246227 1.031100 0.479429 0.065 Uiso 1 1 calc R U . . .
H13B H 0.309994 1.051734 0.436180 0.065 Uiso 1 1 calc R U . . .
C27 C 0.3836(7) 1.0535(6) 0.5413(4) 0.061(2) Uani 1 1 d . . . . .
H27A H 0.442416 1.044107 0.535019 0.073 Uiso 1 1 calc R U . . .
H27B H 0.375313 1.135165 0.547611 0.073 Uiso 1 1 calc R U . . .
O5 O -0.1550(6) 0.5952(12) 0.5739(6) 0.135(3) Uani 1 1 d . U . . .
O3 O -0.2046(7) 0.7156(9) 0.4869(6) 0.124(3) Uani 1 1 d . U . . .
N3 N -0.1464(7) 0.6547(10) 0.5268(7) 0.100(2) 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
Dy1 Cl1 2.7731(19) . ?
Dy1 O1 2.258(5) . ?
Dy1 O4 2.342(5) . ?
Dy1 N1 2.474(5) . ?
Dy1 N4 2.470(6) . ?
Dy1 N6 2.460(5) . ?
Dy1 N7 2.518(5) . ?
Dy1 N2 2.536(6) . ?
Cl4 C8 1.738(7) . ?
Cl5 C16 1.730(8) . ?
Cl3 C26 1.750(9) . ?
Cl2 C19 1.733(9) . ?
O1 C10 1.285(9) . ?
O4 C1 1.289(9) . ?
N1 C4 1.338(9) . ?
N1 C18 1.342(9) . ?
N4 C20 1.275(9) . ?
N4 C13 1.487(9) . ?
O6 N5 1.239(9) . ?
N6 C22 1.268(9) . ?
N6 C24 1.451(10) . ?
N7 H7 0.9800 . ?
N7 C21 1.453(11) . ?
N7 C27 1.465(10) . ?
N2 H2 0.9800 . ?
N2 C12 1.446(11) . ?
N2 C5 1.475(11) . ?
C1 C8 1.432(10) . ?
C1 C16 1.412(10) . ?
C4 C20 1.480(10) . ?
C4 C15 1.414(11) . ?
C6 H6 0.9300 . ?
C6 C14 1.395(11) . ?
C6 C16 1.378(11) . ?
C8 C17 1.359(11) . ?
C10 C26 1.428(11) . ?
C10 C19 1.406(11) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C24 1.518(12) . ?
O7 N5 1.231(9) . ?
C14 N5 1.416(10) . ?
C14 C17 1.390(10) . ?
C18 C22 1.494(11) . ?
C18 C28 1.409(10) . ?
C20 C25 1.515(10) . ?
C22 C9 1.499(10) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C26 C2 1.334(14) . ?
C28 H28 0.9300 . ?
C28 C23 1.368(13) . ?
C7 H7A 0.9300 . ?
C7 C19 1.377(12) . ?
C7 C3 1.387(15) . ?
C15 H15 0.9300 . ?
C15 C23 1.367(12) . ?
O2 H2B 0.8498 . ?
O2 H2C 0.8499 . ?
C2 H2A 0.9300 . ?
C2 C3 1.384(15) . ?
C17 H17 0.9300 . ?
C9 H9A 0.9605 . ?
C9 H9B 0.9599 . ?
C9 H9C 0.9601 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C11 1.513(13) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C11 1.508(13) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C23 H23 0.9300 . ?
C3 N3 1.469(14) . ?
C25 H25A 0.9598 . ?
C25 H25B 0.9602 . ?
C25 H25C 0.9599 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C27 1.498(12) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
O5 N3 1.239(14) . ?
O3 N3 1.198(14) . ?

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 Dy1 Cl1 145.29(15) . . ?
O1 Dy1 O4 78.0(2) . . ?
O1 Dy1 N1 70.84(19) . . ?
O1 Dy1 N4 87.4(2) . . ?
O1 Dy1 N6 83.7(2) . . ?
O1 Dy1 N7 127.0(2) . . ?
O1 Dy1 N2 124.8(2) . . ?
O4 Dy1 Cl1 136.57(15) . . ?
O4 Dy1 N1 148.79(19) . . ?
O4 Dy1 N4 117.13(19) . . ?
O4 Dy1 N6 110.89(19) . . ?
O4 Dy1 N7 72.5(2) . . ?
O4 Dy1 N2 69.2(2) . . ?
N1 Dy1 Cl1 74.48(13) . . ?
N1 Dy1 N7 129.02(19) . . ?
N1 Dy1 N2 128.65(19) . . ?
N4 Dy1 Cl1 78.85(15) . . ?
N4 Dy1 N1 64.04(19) . . ?
N4 Dy1 N7 69.4(2) . . ?
N4 Dy1 N2 147.0(2) . . ?
N6 Dy1 Cl1 80.16(15) . . ?
N6 Dy1 N1 64.54(18) . . ?
N6 Dy1 N4 127.9(2) . . ?
N6 Dy1 N7 147.9(2) . . ?
N6 Dy1 N2 69.15(19) . . ?
N7 Dy1 Cl1 77.43(16) . . ?
N7 Dy1 N2 83.6(2) . . ?
N2 Dy1 Cl1 77.03(16) . . ?
C10 O1 Dy1 153.0(5) . . ?
C1 O4 Dy1 146.5(5) . . ?
C4 N1 Dy1 120.4(4) . . ?
C4 N1 C18 119.8(6) . . ?
C18 N1 Dy1 119.3(5) . . ?
C20 N4 Dy1 123.3(4) . . ?
C20 N4 C13 121.8(6) . . ?
C13 N4 Dy1 114.9(5) . . ?
C22 N6 Dy1 123.1(5) . . ?
C22 N6 C24 122.6(6) . . ?
C24 N6 Dy1 114.2(4) . . ?
Dy1 N7 H7 104.4 . . ?
C21 N7 Dy1 120.0(5) . . ?
C21 N7 H7 104.4 . . ?
C21 N7 C27 110.4(6) . . ?
C27 N7 Dy1 111.5(4) . . ?
C27 N7 H7 104.4 . . ?
Dy1 N2 H2 103.3 . . ?
C12 N2 Dy1 112.3(5) . . ?
C12 N2 H2 103.3 . . ?
C12 N2 C5 111.4(7) . . ?
C5 N2 Dy1 121.0(5) . . ?
C5 N2 H2 103.3 . . ?
O4 C1 C8 123.2(6) . . ?
O4 C1 C16 123.4(7) . . ?
C16 C1 C8 113.4(6) . . ?
N1 C4 C20 115.9(6) . . ?
N1 C4 C15 121.5(6) . . ?
C15 C4 C20 122.6(7) . . ?
C14 C6 H6 120.5 . . ?
C16 C6 H6 120.5 . . ?
C16 C6 C14 119.0(7) . . ?
C1 C8 Cl4 116.6(6) . . ?
C17 C8 Cl4 119.0(6) . . ?
C17 C8 C1 124.4(7) . . ?
O1 C10 C26 123.8(7) . . ?
O1 C10 C19 122.6(7) . . ?
C19 C10 C26 113.7(7) . . ?
N2 C12 H12A 109.3 . . ?
N2 C12 H12B 109.3 . . ?
N2 C12 C24 111.6(7) . . ?
H12A C12 H12B 108.0 . . ?
C24 C12 H12A 109.3 . . ?
C24 C12 H12B 109.3 . . ?
C6 C14 N5 120.0(7) . . ?
C17 C14 C6 120.5(7) . . ?
C17 C14 N5 119.5(7) . . ?
C1 C16 Cl5 118.0(6) . . ?
C6 C16 Cl5 118.4(6) . . ?
C6 C16 C1 123.6(7) . . ?
N1 C18 C22 116.1(6) . . ?
N1 C18 C28 121.4(7) . . ?
C28 C18 C22 122.6(7) . . ?
N4 C20 C4 115.8(6) . . ?
N4 C20 C25 125.5(7) . . ?
C4 C20 C25 118.8(7) . . ?
N6 C22 C18 115.7(6) . . ?
N6 C22 C9 126.4(7) . . ?
C18 C22 C9 117.9(7) . . ?
O6 N5 C14 119.8(7) . . ?
O7 N5 O6 121.3(7) . . ?
O7 N5 C14 118.9(7) . . ?
N6 C24 C12 110.2(6) . . ?
N6 C24 H24A 109.6 . . ?
N6 C24 H24B 109.6 . . ?
C12 C24 H24A 109.6 . . ?
C12 C24 H24B 109.6 . . ?
H24A C24 H24B 108.1 . . ?
C10 C26 Cl3 116.2(6) . . ?
C2 C26 Cl3 119.6(8) . . ?
C2 C26 C10 124.1(9) . . ?
C18 C28 H28 121.0 . . ?
C23 C28 C18 118.0(7) . . ?
C23 C28 H28 121.0 . . ?
C19 C7 H7A 121.0 . . ?
C19 C7 C3 118.0(9) . . ?
C3 C7 H7A 121.0 . . ?
C4 C15 H15 121.1 . . ?
C23 C15 C4 117.7(8) . . ?
C23 C15 H15 121.1 . . ?
H2B O2 H2C 104.5 . . ?
C26 C2 H2A 120.6 . . ?
C26 C2 C3 118.9(11) . . ?
C3 C2 H2A 120.6 . . ?
C8 C17 C14 118.7(7) . . ?
C8 C17 H17 120.6 . . ?
C14 C17 H17 120.6 . . ?
C22 C9 H9A 109.3 . . ?
C22 C9 H9B 109.2 . . ?
C22 C9 H9C 109.9 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C10 C19 Cl2 118.0(7) . . ?
C7 C19 Cl2 118.5(7) . . ?
C7 C19 C10 123.5(9) . . ?
N2 C5 H5A 108.4 . . ?
N2 C5 H5B 108.4 . . ?
N2 C5 C11 115.6(7) . . ?
H5A C5 H5B 107.4 . . ?
C11 C5 H5A 108.4 . . ?
C11 C5 H5B 108.4 . . ?
N7 C21 H21A 108.1 . . ?
N7 C21 H21B 108.1 . . ?
N7 C21 C11 116.6(7) . . ?
H21A C21 H21B 107.3 . . ?
C11 C21 H21A 108.1 . . ?
C11 C21 H21B 108.1 . . ?
C5 C11 H11A 108.3 . . ?
C5 C11 H11B 108.3 . . ?
C21 C11 C5 115.8(8) . . ?
C21 C11 H11A 108.3 . . ?
C21 C11 H11B 108.3 . . ?
H11A C11 H11B 107.4 . . ?
C28 C23 H23 119.2 . . ?
C15 C23 C28 121.5(8) . . ?
C15 C23 H23 119.2 . . ?
C7 C3 N3 120.7(10) . . ?
C2 C3 C7 121.3(9) . . ?
C2 C3 N3 118.1(11) . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.6 . . ?
C20 C25 H25C 109.3 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.4 . . ?
N4 C13 H13A 110.2 . . ?
N4 C13 H13B 110.2 . . ?
N4 C13 C27 107.7(6) . . ?
H13A C13 H13B 108.5 . . ?
C27 C13 H13A 110.2 . . ?
C27 C13 H13B 110.2 . . ?
N7 C27 C13 114.0(7) . . ?
N7 C27 H27A 108.8 . . ?
N7 C27 H27B 108.8 . . ?
C13 C27 H27A 108.8 . . ?
C13 C27 H27B 108.8 . . ?
H27A C27 H27B 107.7 . . ?
O5 N3 C3 113.8(11) . . ?
O3 N3 C3 119.2(12) . . ?
O3 N3 O5 126.8(12) . . ?

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 O1 C10 C26 99.3(12) . . . . ?
Dy1 O1 C10 C19 -81.5(13) . . . . ?
Dy1 O4 C1 C8 -65.7(11) . . . . ?
Dy1 O4 C1 C16 114.3(8) . . . . ?
Dy1 N1 C4 C20 9.1(8) . . . . ?
Dy1 N1 C4 C15 -169.4(6) . . . . ?
Dy1 N1 C18 C22 -10.5(8) . . . . ?
Dy1 N1 C18 C28 170.0(6) . . . . ?
Dy1 N4 C20 C4 -1.5(9) . . . . ?
Dy1 N4 C20 C25 179.9(6) . . . . ?
Dy1 N4 C13 C27 41.9(8) . . . . ?
Dy1 N6 C22 C18 7.1(9) . . . . ?
Dy1 N6 C22 C9 -171.2(6) . . . . ?
Dy1 N6 C24 C12 -43.2(8) . . . . ?
Dy1 N7 C21 C11 -47.9(10) . . . . ?
Dy1 N7 C27 C13 39.6(9) . . . . ?
Dy1 N2 C12 C24 -38.1(8) . . . . ?
Dy1 N2 C5 C11 43.9(10) . . . . ?
Cl4 C8 C17 C14 -178.0(5) . . . . ?
Cl3 C26 C2 C3 179.2(7) . . . . ?
O1 C10 C26 Cl3 4.9(10) . . . . ?
O1 C10 C26 C2 -172.7(8) . . . . ?
O1 C10 C19 Cl2 -5.8(10) . . . . ?
O1 C10 C19 C7 173.2(8) . . . . ?
O4 C1 C8 Cl4 -5.2(9) . . . . ?
O4 C1 C8 C17 173.9(7) . . . . ?
O4 C1 C16 Cl5 4.6(9) . . . . ?
O4 C1 C16 C6 -175.2(7) . . . . ?
N1 C4 C20 N4 -5.0(9) . . . . ?
N1 C4 C20 C25 173.7(7) . . . . ?
N1 C4 C15 C23 -1.8(12) . . . . ?
N1 C18 C22 N6 2.4(10) . . . . ?
N1 C18 C22 C9 -179.1(7) . . . . ?
N1 C18 C28 C23 0.8(12) . . . . ?
N4 C13 C27 N7 -54.3(9) . . . . ?
N7 C21 C11 C5 79.9(11) . . . . ?
N2 C12 C24 N6 54.5(9) . . . . ?
N2 C5 C11 C21 -76.7(11) . . . . ?
C1 C8 C17 C14 2.8(11) . . . . ?
C4 N1 C18 C22 177.5(6) . . . . ?
C4 N1 C18 C28 -2.0(11) . . . . ?
C4 C15 C23 C28 0.5(14) . . . . ?
C6 C14 N5 O6 2.6(11) . . . . ?
C6 C14 N5 O7 -179.2(8) . . . . ?
C6 C14 C17 C8 2.0(11) . . . . ?
C8 C1 C16 Cl5 -175.4(5) . . . . ?
C8 C1 C16 C6 4.8(10) . . . . ?
C10 C26 C2 C3 -3.3(13) . . . . ?
C12 N2 C5 C11 179.1(8) . . . . ?
C14 C6 C16 Cl5 179.7(5) . . . . ?
C14 C6 C16 C1 -0.5(11) . . . . ?
C16 C1 C8 Cl4 174.8(5) . . . . ?
C16 C1 C8 C17 -6.0(10) . . . . ?
C16 C6 C14 N5 177.2(7) . . . . ?
C16 C6 C14 C17 -3.1(10) . . . . ?
C18 N1 C4 C20 -179.0(6) . . . . ?
C18 N1 C4 C15 2.5(11) . . . . ?
C18 C28 C23 C15 -0.1(14) . . . . ?
C20 N4 C13 C27 -137.9(7) . . . . ?
C20 C4 C15 C23 179.8(8) . . . . ?
C22 N6 C24 C12 140.2(7) . . . . ?
C22 C18 C28 C23 -178.7(8) . . . . ?
N5 C14 C17 C8 -178.3(7) . . . . ?
C24 N6 C22 C18 -176.6(7) . . . . ?
C24 N6 C22 C9 5.1(12) . . . . ?
C26 C10 C19 Cl2 173.6(5) . . . . ?
C26 C10 C19 C7 -7.5(11) . . . . ?
C26 C2 C3 C7 -2.7(15) . . . . ?
C26 C2 C3 N3 175.6(9) . . . . ?
C28 C18 C22 N6 -178.0(7) . . . . ?
C28 C18 C22 C9 0.4(11) . . . . ?
C7 C3 N3 O5 -0.8(16) . . . . ?
C7 C3 N3 O3 174.3(11) . . . . ?
C15 C4 C20 N4 173.5(7) . . . . ?
C15 C4 C20 C25 -7.8(11) . . . . ?
C2 C3 N3 O5 -179.1(11) . . . . ?
C2 C3 N3 O3 -4.0(16) . . . . ?
C17 C14 N5 O6 -177.1(7) . . . . ?
C17 C14 N5 O7 1.1(11) . . . . ?
C19 C10 C26 Cl3 -174.4(5) . . . . ?
C19 C10 C26 C2 8.0(11) . . . . ?
C19 C7 C3 C2 3.1(14) . . . . ?
C19 C7 C3 N3 -175.1(9) . . . . ?
C5 N2 C12 C24 -177.3(7) . . . . ?
C21 N7 C27 C13 175.8(7) . . . . ?
C3 C7 C19 Cl2 -178.7(7) . . . . ?
C3 C7 C19 C10 2.4(13) . . . . ?
C13 N4 C20 C4 178.3(7) . . . . ?
C13 N4 C20 C25 -0.3(12) . . . . ?
C27 N7 C21 C11 -179.8(8) . . . . ?

_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 4.580
_oxdiff_exptl_absorpt_empirical_full_min 0.497
