# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

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

data_2
_database_code_depnum_ccdc_archive 'CCDC 2323427'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2024-01-04 deposited with the CCDC.	2024-03-04 downloaded from the CCDC.
;
_audit_creation_date             2024-01-04
_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         'C32 H34 Dy2 N12 O14'
_chemical_formula_sum            'C32 H34 Dy2 N12 O14'
_chemical_formula_weight         1135.71
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNODy
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'
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           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                   9.8836(2)
_cell_length_b                   15.5639(3)
_cell_length_c                   12.5827(3)
_cell_angle_alpha                90
_cell_angle_beta                 96.221(2)
_cell_angle_gamma                90
_cell_volume                     1924.17(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    19228
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      31.1150
_cell_measurement_theta_min      2.0750
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.937
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81753
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.960
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1108
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0191
_diffrn_reflns_av_unetI/netI     0.0148
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.882
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            27991
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.882
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.992
_diffrn_reflns_theta_min         2.089
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.882
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     19.00  66.00   0.50    4.00    --    5.00  45.00 179.38   94
  2  ω    -81.00  -6.00   0.50    4.00    --  -10.80  45.00 120.00  150
  3  ω   -100.00 -34.00   0.50    4.00    --  -10.80  45.00 -16.50  132
  4  ω   -100.00  78.00   0.50    4.00    --  -10.80  45.00  60.00  356
  5  ω    -97.00  36.00   0.50    4.00    --  -10.80  45.00   0.00  266
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0608854000
_diffrn_orient_matrix_UB_12      0.0169525000
_diffrn_orient_matrix_UB_13      0.0271281000
_diffrn_orient_matrix_UB_21      0.0378501000
_diffrn_orient_matrix_UB_22      -0.0184713000
_diffrn_orient_matrix_UB_23      -0.0390135000
_diffrn_orient_matrix_UB_31      -0.0086679000
_diffrn_orient_matrix_UB_32      0.0380786000
_diffrn_orient_matrix_UB_33      -0.0308663000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4925
_reflns_number_total             5414
_reflns_odcompleteness_completeness 99.98
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_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 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 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         0.570
_refine_diff_density_min         -0.304
_refine_diff_density_rms         0.071
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         5414
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0190
_refine_ls_R_factor_gt           0.0159
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0204P)²+1.0858P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0395
_refine_ls_wR_factor_ref         0.0405
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C11(H11), C12(H12), C13(H13), C14(H14)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.90792(2) 0.60352(2) 0.53761(2) 0.01846(3) Uani 1 1 d . . . . .
O1 O 0.70956(13) 0.86891(8) 0.57688(11) 0.0292(3) Uani 1 1 d . . . . .
O2 O 0.77279(12) 0.70708(8) 0.56410(12) 0.0285(3) Uani 1 1 d . . . . .
O3 O 0.90647(11) 0.45475(8) 0.53541(10) 0.0237(3) Uani 1 1 d . . . . .
O4 O 0.96175(16) 0.57723(10) 0.72959(11) 0.0380(3) Uani 1 1 d . . . . .
O5 O 1.07804(14) 0.67608(10) 0.66350(11) 0.0365(3) Uani 1 1 d . . . . .
O6 O 1.0911(2) 0.66007(13) 0.83550(13) 0.0586(5) Uani 1 1 d . . . . .
O7 O 0.79462(15) 0.58912(10) 0.36871(12) 0.0350(3) Uani 1 1 d . . . . .
N1 N 0.69861(14) 0.53525(9) 0.59001(12) 0.0228(3) Uani 1 1 d . . . . .
N2 N 0.69948(15) 0.44491(9) 0.60446(12) 0.0246(3) Uani 1 1 d . . . . .
N3 N 0.95532(15) 0.29134(9) 0.56260(11) 0.0212(3) Uani 1 1 d . . . . .
N4 N 0.90328(18) 0.14843(10) 0.61086(14) 0.0328(4) Uani 1 1 d . . . . .
N5 N 1.04601(17) 0.63858(11) 0.74607(13) 0.0313(3) Uani 1 1 d . . . . .
N6 N 0.62681(17) 0.57939(12) 0.23463(13) 0.0321(3) Uani 1 1 d . . . . .
C1 C 0.6754(2) 0.95708(13) 0.5803(2) 0.0430(5) Uani 1 1 d . . . . .
H1A H 0.603809 0.970097 0.522414 0.064 Uiso 1 1 calc R U . . .
H1B H 0.756042 0.991916 0.571661 0.064 Uiso 1 1 calc R U . . .
H1C H 0.642584 0.970282 0.649243 0.064 Uiso 1 1 calc R U . . .
C2 C 0.60998(18) 0.81170(11) 0.59418(14) 0.0239(3) Uani 1 1 d . . . . .
C3 C 0.48158(19) 0.83294(13) 0.61966(16) 0.0318(4) Uani 1 1 d . . . . .
H3 H 0.456947 0.891629 0.625316 0.038 Uiso 1 1 calc R U . . .
C4 C 0.38797(19) 0.76885(13) 0.63711(17) 0.0342(4) Uani 1 1 d . . . . .
H4 H 0.299741 0.784000 0.654153 0.041 Uiso 1 1 calc R U . . .
C5 C 0.42284(18) 0.68436(13) 0.62977(15) 0.0295(4) Uani 1 1 d . . . . .
H5 H 0.358168 0.641103 0.641223 0.035 Uiso 1 1 calc R U . . .
C6 C 0.55381(17) 0.66041(11) 0.60537(14) 0.0231(3) Uani 1 1 d . . . . .
C7 C 0.64911(16) 0.72432(11) 0.58639(13) 0.0219(3) Uani 1 1 d . . . . .
C8 C 0.58427(17) 0.56965(12) 0.60685(14) 0.0241(3) Uani 1 1 d . . . . .
H8 H 0.513345 0.531733 0.621628 0.029 Uiso 1 1 calc R U . . .
C9 C 0.80999(18) 0.41230(10) 0.57630(14) 0.0211(3) Uani 1 1 d . . . . .
C10 C 0.83534(17) 0.31862(11) 0.59054(13) 0.0214(3) Uani 1 1 d . . . . .
C11 C 0.7456(2) 0.26199(12) 0.62943(16) 0.0322(4) Uani 1 1 d . . . . .
H11 H 0.660545 0.280725 0.649643 0.039 Uiso 1 1 calc R U . . .
C12 C 0.7845(2) 0.17689(12) 0.63780(17) 0.0356(4) Uani 1 1 d . . . . .
H12 H 0.723731 0.136725 0.663968 0.043 Uiso 1 1 calc R U . . .
C13 C 0.98345(19) 0.20777(11) 0.57486(15) 0.0268(4) Uani 1 1 d . . . . .
H13 H 1.069115 0.188947 0.556014 0.032 Uiso 1 1 calc R U . . .
C14 C 0.6860(2) 0.61393(13) 0.32275(17) 0.0333(4) Uani 1 1 d . . . . .
H14 H 0.642081 0.660984 0.352720 0.040 Uiso 1 1 calc R U . . .
C15 C 0.6858(3) 0.5087(2) 0.1837(2) 0.0623(8) Uani 1 1 d . . . . .
H15A H 0.771504 0.492263 0.225218 0.093 Uiso 1 1 calc R U . . .
H15B H 0.703411 0.525472 0.111433 0.093 Uiso 1 1 calc R U . . .
H15C H 0.622789 0.459877 0.179603 0.093 Uiso 1 1 calc R U . . .
C16 C 0.4949(3) 0.61045(19) 0.1868(2) 0.0560(7) Uani 1 1 d . . . . .
H16A H 0.423293 0.571173 0.204781 0.084 Uiso 1 1 calc R U . . .
H16B H 0.494511 0.613137 0.108916 0.084 Uiso 1 1 calc R U . . .
H16C H 0.478174 0.667900 0.214412 0.084 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 Dy1 3.86865(15) 3_766 ?
Dy1 O2 2.1422(12) . ?
Dy1 O3 2.3156(12) . ?
Dy1 O3 2.3232(11) 3_766 ?
Dy1 O4 2.4510(14) . ?
Dy1 O5 2.4565(14) . ?
Dy1 O7 2.3032(15) . ?
Dy1 N1 2.4777(14) . ?
Dy1 N3 2.5424(14) 3_766 ?
Dy1 N5 2.8748(16) . ?
O1 C1 1.415(2) . ?
O1 C2 1.362(2) . ?
O2 C7 1.311(2) . ?
O3 C9 1.3104(19) . ?
O4 N5 1.269(2) . ?
O5 N5 1.262(2) . ?
O6 N5 1.212(2) . ?
O7 C14 1.225(3) . ?
N1 N2 1.418(2) . ?
N1 C8 1.289(2) . ?
N2 C9 1.288(2) . ?
N3 C10 1.342(2) . ?
N3 C13 1.335(2) . ?
N4 C12 1.333(3) . ?
N4 C13 1.328(2) . ?
N6 C14 1.312(3) . ?
N6 C15 1.429(3) . ?
N6 C16 1.458(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.382(2) . ?
C2 C7 1.420(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.394(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.365(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.412(2) . ?
C6 C7 1.408(2) . ?
C6 C8 1.444(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.487(2) . ?
C10 C11 1.377(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.380(3) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 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
O2 Dy1 Dy1 169.29(4) . 3_766 ?
O2 Dy1 O3 138.68(4) . . ?
O2 Dy1 O3 152.57(5) . 3_766 ?
O2 Dy1 O4 92.56(6) . . ?
O2 Dy1 O5 87.05(5) . . ?
O2 Dy1 O7 88.16(5) . . ?
O2 Dy1 N1 74.26(5) . . ?
O2 Dy1 N3 88.10(5) . 3_766 ?
O2 Dy1 N5 87.57(5) . . ?
O3 Dy1 Dy1 33.43(3) 3_766 3_766 ?
O3 Dy1 Dy1 33.55(3) . 3_766 ?
O3 Dy1 O3 66.99(5) . 3_766 ?
O3 Dy1 O4 81.10(5) . . ?
O3 Dy1 O4 103.19(5) 3_766 . ?
O3 Dy1 O5 118.06(5) . . ?
O3 Dy1 O5 85.40(5) 3_766 . ?
O3 Dy1 N1 130.97(5) 3_766 . ?
O3 Dy1 N1 64.54(4) . . ?
O3 Dy1 N3 64.54(4) 3_766 3_766 ?
O3 Dy1 N3 129.84(4) . 3_766 ?
O3 Dy1 N5 101.68(5) . . ?
O3 Dy1 N5 96.76(4) 3_766 . ?
O4 Dy1 Dy1 92.55(4) . 3_766 ?
O4 Dy1 O5 51.75(5) . . ?
O4 Dy1 N1 76.37(5) . . ?
O4 Dy1 N3 121.73(5) . 3_766 ?
O4 Dy1 N5 26.04(5) . . ?
O5 Dy1 Dy1 103.50(4) . 3_766 ?
O5 Dy1 N1 123.95(5) . . ?
O5 Dy1 N3 70.15(5) . 3_766 ?
O5 Dy1 N5 25.88(5) . . ?
O7 Dy1 Dy1 83.56(4) . 3_766 ?
O7 Dy1 O3 85.58(5) . 3_766 ?
O7 Dy1 O3 83.68(5) . . ?
O7 Dy1 O4 157.68(5) . . ?
O7 Dy1 O5 150.47(5) . . ?
O7 Dy1 N1 82.38(5) . . ?
O7 Dy1 N3 80.59(5) . 3_766 ?
O7 Dy1 N5 174.63(5) . . ?
N1 Dy1 Dy1 97.84(3) . 3_766 ?
N1 Dy1 N3 155.80(5) . 3_766 ?
N1 Dy1 N5 99.56(5) . . ?
N3 Dy1 Dy1 97.20(3) 3_766 3_766 ?
N3 Dy1 N5 96.03(5) 3_766 . ?
N5 Dy1 Dy1 101.06(3) . 3_766 ?
C2 O1 C1 116.74(15) . . ?
C7 O2 Dy1 143.00(11) . . ?
Dy1 O3 Dy1 113.02(5) . 3_766 ?
C9 O3 Dy1 120.22(10) . . ?
C9 O3 Dy1 126.71(11) . 3_766 ?
N5 O4 Dy1 95.96(10) . . ?
N5 O5 Dy1 95.91(11) . . ?
C14 O7 Dy1 135.92(14) . . ?
N2 N1 Dy1 117.76(10) . . ?
C8 N1 Dy1 129.64(12) . . ?
C8 N1 N2 112.60(14) . . ?
C9 N2 N1 110.42(13) . . ?
C10 N3 Dy1 117.31(11) . 3_766 ?
C13 N3 Dy1 124.68(12) . 3_766 ?
C13 N3 C10 117.17(15) . . ?
C13 N4 C12 115.48(16) . . ?
O4 N5 Dy1 57.99(9) . . ?
O5 N5 Dy1 58.21(9) . . ?
O5 N5 O4 115.62(15) . . ?
O6 N5 Dy1 171.99(15) . . ?
O6 N5 O4 121.88(18) . . ?
O6 N5 O5 122.49(18) . . ?
C14 N6 C15 121.90(19) . . ?
C14 N6 C16 120.7(2) . . ?
C15 N6 C16 117.4(2) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 125.33(16) . . ?
O1 C2 C7 114.08(15) . . ?
C3 C2 C7 120.58(17) . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.47(18) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.9 . . ?
C5 C4 C3 120.13(17) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 119.6 . . ?
C4 C5 C6 120.86(18) . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C8 116.75(16) . . ?
C7 C6 C5 119.75(16) . . ?
C7 C6 C8 123.43(15) . . ?
O2 C7 C2 118.55(15) . . ?
O2 C7 C6 123.23(15) . . ?
C6 C7 C2 118.20(15) . . ?
N1 C8 C6 126.13(16) . . ?
N1 C8 H8 116.9 . . ?
C6 C8 H8 116.9 . . ?
O3 C9 C10 114.93(14) . . ?
N2 C9 O3 125.73(15) . . ?
N2 C9 C10 119.34(15) . . ?
N3 C10 C9 114.89(14) . . ?
N3 C10 C11 120.81(16) . . ?
C11 C10 C9 124.31(16) . . ?
C10 C11 H11 121.4 . . ?
C10 C11 C12 117.16(18) . . ?
C12 C11 H11 121.4 . . ?
N4 C12 C11 123.05(17) . . ?
N4 C12 H12 118.5 . . ?
C11 C12 H12 118.5 . . ?
N3 C13 H13 116.8 . . ?
N4 C13 N3 126.32(17) . . ?
N4 C13 H13 116.8 . . ?
O7 C14 N6 123.9(2) . . ?
O7 C14 H14 118.1 . . ?
N6 C14 H14 118.1 . . ?
N6 C15 H15A 109.5 . . ?
N6 C15 H15B 109.5 . . ?
N6 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N6 C16 H16A 109.5 . . ?
N6 C16 H16B 109.5 . . ?
N6 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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 O2 C7 C2 -179.27(14) . . . . ?
Dy1 O2 C7 C6 2.2(3) . . . . ?
Dy1 O3 C9 N2 -170.98(14) 3_766 . . . ?
Dy1 O3 C9 N2 11.7(2) . . . . ?
Dy1 O3 C9 C10 -167.89(11) . . . . ?
Dy1 O3 C9 C10 9.4(2) 3_766 . . . ?
Dy1 O4 N5 O5 -8.59(18) . . . . ?
Dy1 O4 N5 O6 170.55(18) . . . . ?
Dy1 O5 N5 O4 8.57(18) . . . . ?
Dy1 O5 N5 O6 -170.57(18) . . . . ?
Dy1 O7 C14 N6 -161.33(15) . . . . ?
Dy1 N1 N2 C9 -6.48(19) . . . . ?
Dy1 N1 C8 C6 -4.3(3) . . . . ?
Dy1 N3 C10 C9 -10.63(19) 3_766 . . . ?
Dy1 N3 C10 C11 169.56(14) 3_766 . . . ?
Dy1 N3 C13 N4 -168.22(15) 3_766 . . . ?
O1 C2 C3 C4 -179.13(18) . . . . ?
O1 C2 C7 O2 0.0(2) . . . . ?
O1 C2 C7 C6 178.62(15) . . . . ?
O3 C9 C10 N3 2.0(2) . . . . ?
O3 C9 C10 C11 -178.21(17) . . . . ?
N1 N2 C9 O3 -2.9(3) . . . . ?
N1 N2 C9 C10 176.71(15) . . . . ?
N2 N1 C8 C6 175.82(16) . . . . ?
N2 C9 C10 N3 -177.63(16) . . . . ?
N2 C9 C10 C11 2.2(3) . . . . ?
N3 C10 C11 C12 -0.2(3) . . . . ?
C1 O1 C2 C3 -3.3(3) . . . . ?
C1 O1 C2 C7 178.12(17) . . . . ?
C2 C3 C4 C5 0.4(3) . . . . ?
C3 C2 C7 O2 -178.68(17) . . . . ?
C3 C2 C7 C6 0.0(3) . . . . ?
C3 C4 C5 C6 0.5(3) . . . . ?
C4 C5 C6 C7 -1.2(3) . . . . ?
C4 C5 C6 C8 175.73(18) . . . . ?
C5 C6 C7 O2 179.48(17) . . . . ?
C5 C6 C7 C2 0.9(3) . . . . ?
C5 C6 C8 N1 -177.84(18) . . . . ?
C7 C2 C3 C4 -0.6(3) . . . . ?
C7 C6 C8 N1 -1.1(3) . . . . ?
C8 N1 N2 C9 173.42(16) . . . . ?
C8 C6 C7 O2 2.8(3) . . . . ?
C8 C6 C7 C2 -175.76(16) . . . . ?
C9 C10 C11 C12 180.00(18) . . . . ?
C10 N3 C13 N4 1.0(3) . . . . ?
C10 C11 C12 N4 0.4(3) . . . . ?
C12 N4 C13 N3 -0.7(3) . . . . ?
C13 N3 C10 C9 179.38(15) . . . . ?
C13 N3 C10 C11 -0.4(3) . . . . ?
C13 N4 C12 C11 0.0(3) . . . . ?
C15 N6 C14 O7 -0.3(3) . . . . ?
C16 N6 C14 O7 177.7(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.383
_oxdiff_exptl_absorpt_empirical_full_min 0.702
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2323428'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2024-01-04 deposited with the CCDC.	2024-03-04 downloaded from the CCDC.
;
_audit_creation_date             2024-01-04
_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         'C36 H40 Dy2 N10 O12'
_chemical_formula_sum            'C36 H40 Dy2 N10 O12'
_chemical_formula_weight         1129.78
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNODy
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'
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           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                   9.7169(7)
_cell_length_b                   15.6055(10)
_cell_length_c                   13.0505(9)
_cell_angle_alpha                90
_cell_angle_beta                 99.551(8)
_cell_angle_gamma                90
_cell_volume                     1951.5(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4131
_cell_measurement_temperature    170.01(10)
_cell_measurement_theta_max      27.3600
_cell_measurement_theta_min      2.0340
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.876
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.51097
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.94a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.923
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1108
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_av_unetI/netI     0.0546
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12326
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.051
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.01(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -14.00  18.00   0.50   25.00    --    5.00  45.00   0.00   64
  2  ω    -87.00 -10.00   0.50   25.00    --  -10.70  45.00 120.00  154
  3  ω   -100.00  78.00   0.50   25.00    --  -10.70  45.00  77.15  356
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0700959000
_diffrn_orient_matrix_UB_12      0.0106223000
_diffrn_orient_matrix_UB_13      -0.0032888000
_diffrn_orient_matrix_UB_21      -0.0077156000
_diffrn_orient_matrix_UB_22      0.0395329000
_diffrn_orient_matrix_UB_23      0.0253325000
_diffrn_orient_matrix_UB_31      0.0228151000
_diffrn_orient_matrix_UB_32      -0.0196145000
_diffrn_orient_matrix_UB_33      0.0488712000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2841
_reflns_number_total             3437
_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 1.171.42.94a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.94a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.94a (Rigaku OD, 2023)'
_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         1.023
_refine_diff_density_min         -1.995
_refine_diff_density_rms         0.140
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         3437
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0335
_refine_ls_restrained_S_all      1.034
_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)+(0.0452P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0805
_refine_ls_wR_factor_ref         0.0843
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C11(H11), C12(H12), C13(H13), C16(H16)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C15(H15A,H15B,H15C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.58187(2) 0.39363(2) 0.45319(2) 0.01992(11) Uani 1 1 d . . . . .
O3 O 0.5876(4) 0.5433(2) 0.4608(3) 0.0283(9) Uani 1 1 d . . . . .
O1 O 0.7761(4) 0.1253(2) 0.4072(3) 0.0286(9) Uani 1 1 d . . . . .
O2 O 0.7141(4) 0.2868(2) 0.4252(3) 0.0269(9) Uani 1 1 d . . . . .
O5 O 0.5216(5) 0.4201(3) 0.2668(3) 0.0363(10) Uani 1 1 d . . . . .
O4 O 0.3966(4) 0.3275(3) 0.3372(3) 0.0414(10) Uani 1 1 d . . . . .
O6 O 0.7228(5) 0.3996(2) 0.6169(3) 0.0394(11) Uani 1 1 d . . . . .
N1 N 0.7949(4) 0.4603(3) 0.4078(3) 0.0215(9) Uani 1 1 d . . . . .
N2 N 0.7937(5) 0.5506(3) 0.3947(3) 0.0269(10) Uani 1 1 d . . . . .
N3 N 0.5506(5) 0.7087(3) 0.4460(3) 0.0233(10) Uani 1 1 d . . . . .
N4 N 0.6053(5) 0.8494(3) 0.3941(3) 0.0304(11) Uani 1 1 d . . . . .
N5 N 0.8406(6) 0.4341(3) 0.7740(4) 0.0395(13) Uani 1 1 d . . . . .
C6 C 0.9367(5) 0.3341(3) 0.3922(4) 0.0212(11) Uani 1 1 d . . . . .
C7 C 0.8395(6) 0.2707(3) 0.4052(4) 0.0219(11) Uani 1 1 d . . . . .
C2 C 0.8778(6) 0.1840(3) 0.3943(4) 0.0233(11) Uani 1 1 d . . . . .
C3 C 1.0066(6) 0.1626(3) 0.3716(4) 0.0313(13) Uani 1 1 d . . . . .
H3 H 1.029348 0.104085 0.363290 0.038 Uiso 1 1 calc R U . . .
C4 C 1.1042(6) 0.2261(4) 0.3606(5) 0.0360(14) Uani 1 1 d . . . . .
H4 H 1.194274 0.211028 0.347370 0.043 Uiso 1 1 calc R U . . .
C5 C 1.0688(6) 0.3102(4) 0.3692(4) 0.0298(13) Uani 1 1 d . . . . .
H5 H 1.134089 0.353578 0.359572 0.036 Uiso 1 1 calc R U . . .
C8 C 0.9085(6) 0.4251(3) 0.3923(4) 0.0248(12) Uani 1 1 d . . . . .
H8 H 0.981249 0.462291 0.379597 0.030 Uiso 1 1 calc R U . . .
C9 C 0.6843(6) 0.5838(3) 0.4221(4) 0.0229(12) Uani 1 1 d . . . . .
C1 C 0.8090(7) 0.0373(3) 0.3928(5) 0.0359(14) Uani 1 1 d . . . . .
H1A H 0.831439 0.029363 0.322982 0.054 Uiso 1 1 calc R U . . .
H1B H 0.728630 0.001585 0.401031 0.054 Uiso 1 1 calc R U . . .
H1C H 0.889467 0.020763 0.444677 0.054 Uiso 1 1 calc R U . . .
C10 C 0.6632(5) 0.6778(3) 0.4084(4) 0.0228(11) Uani 1 1 d . . . . .
C11 C 0.7451(6) 0.7313(3) 0.3614(4) 0.0290(13) Uani 1 1 d . . . . .
H11 H 0.822245 0.709751 0.333161 0.035 Uiso 1 1 calc R U . . .
C12 C 0.7132(6) 0.8169(3) 0.3562(4) 0.0308(13) Uani 1 1 d . . . . .
H12 H 0.770229 0.854585 0.324242 0.037 Uiso 1 1 calc R U . . .
C13 C 0.5298(7) 0.7934(3) 0.4361(4) 0.0289(13) Uani 1 1 d . . . . .
H13 H 0.451566 0.815626 0.462323 0.035 Uiso 1 1 calc R U . . .
C14 C 0.4357(6) 0.3598(4) 0.2568(5) 0.0336(14) Uani 1 1 d . . . . .
C15 C 0.3785(8) 0.3234(5) 0.1528(5) 0.0536(19) Uani 1 1 d . . . . .
H15A H 0.455641 0.306396 0.117424 0.080 Uiso 1 1 calc R U . . .
H15B H 0.321279 0.366685 0.111177 0.080 Uiso 1 1 calc R U . . .
H15C H 0.321001 0.273187 0.161514 0.080 Uiso 1 1 calc R U . . .
C16 C 0.7300(7) 0.4347(4) 0.6991(5) 0.0377(15) Uani 1 1 d . . . . .
H16 H 0.650089 0.465360 0.711797 0.045 Uiso 1 1 calc R U . . .
C17 C 0.9641(8) 0.3889(5) 0.7659(6) 0.059(2) Uani 1 1 d . . . . .
H17A H 0.969729 0.337402 0.809448 0.088 Uiso 1 1 calc R U . . .
H17B H 1.045095 0.425532 0.789275 0.088 Uiso 1 1 calc R U . . .
H17C H 0.963199 0.372207 0.693393 0.088 Uiso 1 1 calc R U . . .
C18 C 0.8354(9) 0.4791(5) 0.8699(5) 0.065(2) Uani 1 1 d . . . . .
H18A H 0.743669 0.505957 0.866724 0.098 Uiso 1 1 calc R U . . .
H18B H 0.908012 0.523310 0.880243 0.098 Uiso 1 1 calc R U . . .
H18C H 0.851102 0.438482 0.928003 0.098 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 Dy1 3.9611(5) 3_666 ?
Dy1 O3 2.338(3) . ?
Dy1 O3 2.357(3) 3_666 ?
Dy1 O2 2.173(3) . ?
Dy1 O5 2.441(4) . ?
Dy1 O4 2.386(4) . ?
Dy1 O6 2.341(4) . ?
Dy1 N1 2.475(4) . ?
Dy1 N3 2.550(4) 3_666 ?
Dy1 C14 2.767(6) . ?
O3 C9 1.302(6) . ?
O1 C2 1.378(6) . ?
O1 C1 1.428(6) . ?
O2 C7 1.312(6) . ?
O5 C14 1.249(7) . ?
O4 C14 1.278(7) . ?
O6 C16 1.196(7) . ?
N1 N2 1.419(6) . ?
N1 C8 1.278(7) . ?
N2 C9 1.286(7) . ?
N3 C10 1.360(6) . ?
N3 C13 1.339(6) . ?
N4 C12 1.331(7) . ?
N4 C13 1.317(7) . ?
N5 C16 1.328(8) . ?
N5 C17 1.411(9) . ?
N5 C18 1.444(8) . ?
C6 C7 1.398(7) . ?
C6 C5 1.416(7) . ?
C6 C8 1.447(7) . ?
C7 C2 1.417(7) . ?
C2 C3 1.374(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.396(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.366(8) . ?
C5 H5 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.487(7) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C10 C11 1.367(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.371(7) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.491(8) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 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
O3 Dy1 Dy1 32.60(8) . 3_666 ?
O3 Dy1 Dy1 32.31(8) 3_666 3_666 ?
O3 Dy1 O3 64.91(13) . 3_666 ?
O3 Dy1 O5 109.43(14) 3_666 . ?
O3 Dy1 O5 82.73(13) . . ?
O3 Dy1 O4 117.97(14) . . ?
O3 Dy1 O4 88.25(14) 3_666 . ?
O3 Dy1 O6 85.15(13) . . ?
O3 Dy1 N1 64.86(12) . . ?
O3 Dy1 N1 128.06(13) 3_666 . ?
O3 Dy1 N3 127.91(12) . 3_666 ?
O3 Dy1 N3 64.13(12) 3_666 3_666 ?
O3 Dy1 C14 103.24(15) 3_666 . ?
O3 Dy1 C14 103.57(16) . . ?
O2 Dy1 Dy1 166.92(10) . 3_666 ?
O2 Dy1 O3 151.66(12) . 3_666 ?
O2 Dy1 O3 139.75(12) . . ?
O2 Dy1 O5 90.76(14) . . ?
O2 Dy1 O4 88.10(14) . . ?
O2 Dy1 O6 84.89(14) . . ?
O2 Dy1 N1 74.99(12) . . ?
O2 Dy1 N3 88.24(13) . 3_666 ?
O2 Dy1 C14 85.70(16) . . ?
O5 Dy1 Dy1 97.08(10) . 3_666 ?
O5 Dy1 N1 76.25(14) . . ?
O5 Dy1 N3 124.18(14) . 3_666 ?
O5 Dy1 C14 26.83(15) . . ?
O4 Dy1 Dy1 104.99(11) . 3_666 ?
O4 Dy1 O5 53.82(13) . . ?
O4 Dy1 N1 127.08(13) . . ?
O4 Dy1 N3 70.37(13) . 3_666 ?
O4 Dy1 C14 27.45(15) . . ?
O6 Dy1 Dy1 83.65(10) . 3_666 ?
O6 Dy1 O3 84.15(14) . 3_666 ?
O6 Dy1 O5 155.55(15) . . ?
O6 Dy1 O4 149.55(14) . . ?
O6 Dy1 N1 79.39(15) . . ?
O6 Dy1 N3 79.81(14) . 3_666 ?
O6 Dy1 C14 170.32(15) . . ?
N1 Dy1 Dy1 96.66(9) . 3_666 ?
N1 Dy1 N3 154.27(14) . 3_666 ?
N1 Dy1 C14 100.34(16) . . ?
N3 Dy1 Dy1 95.91(9) 3_666 3_666 ?
N3 Dy1 C14 97.64(16) 3_666 . ?
C14 Dy1 Dy1 105.95(12) . 3_666 ?
Dy1 O3 Dy1 115.09(13) . 3_666 ?
C9 O3 Dy1 118.8(3) . . ?
C9 O3 Dy1 126.0(3) . 3_666 ?
C2 O1 C1 116.2(4) . . ?
C7 O2 Dy1 140.8(3) . . ?
C14 O5 Dy1 91.3(3) . . ?
C14 O4 Dy1 93.1(4) . . ?
C16 O6 Dy1 140.8(4) . . ?
N2 N1 Dy1 117.1(3) . . ?
C8 N1 Dy1 129.4(3) . . ?
C8 N1 N2 113.4(4) . . ?
C9 N2 N1 110.9(4) . . ?
C10 N3 Dy1 118.0(3) . 3_666 ?
C13 N3 Dy1 126.0(3) . 3_666 ?
C13 N3 C10 115.6(4) . . ?
C13 N4 C12 115.5(4) . . ?
C16 N5 C17 122.9(6) . . ?
C16 N5 C18 119.7(6) . . ?
C17 N5 C18 117.4(6) . . ?
C7 C6 C5 119.6(4) . . ?
C7 C6 C8 124.3(5) . . ?
C5 C6 C8 115.9(5) . . ?
O2 C7 C6 123.8(4) . . ?
O2 C7 C2 118.1(5) . . ?
C6 C7 C2 118.0(5) . . ?
O1 C2 C7 114.6(4) . . ?
C3 C2 O1 124.2(5) . . ?
C3 C2 C7 121.2(5) . . ?
C2 C3 H3 119.7 . . ?
C2 C3 C4 120.6(5) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.3(5) . . ?
C5 C4 H4 120.3 . . ?
C6 C5 H5 119.4 . . ?
C4 C5 C6 121.3(5) . . ?
C4 C5 H5 119.4 . . ?
N1 C8 C6 126.2(5) . . ?
N1 C8 H8 116.9 . . ?
C6 C8 H8 116.9 . . ?
O3 C9 C10 115.6(4) . . ?
N2 C9 O3 126.6(5) . . ?
N2 C9 C10 117.8(4) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N3 C10 C9 114.2(4) . . ?
N3 C10 C11 120.5(5) . . ?
C11 C10 C9 125.3(5) . . ?
C10 C11 H11 120.8 . . ?
C10 C11 C12 118.3(5) . . ?
C12 C11 H11 120.8 . . ?
N4 C12 C11 122.5(5) . . ?
N4 C12 H12 118.7 . . ?
C11 C12 H12 118.7 . . ?
N3 C13 H13 116.2 . . ?
N4 C13 N3 127.5(5) . . ?
N4 C13 H13 116.2 . . ?
O5 C14 Dy1 61.8(3) . . ?
O5 C14 O4 119.7(5) . . ?
O5 C14 C15 121.6(5) . . ?
O4 C14 Dy1 59.4(3) . . ?
O4 C14 C15 118.7(6) . . ?
C15 C14 Dy1 166.5(4) . . ?
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 . . ?
O6 C16 N5 125.2(6) . . ?
O6 C16 H16 117.4 . . ?
N5 C16 H16 117.4 . . ?
N5 C17 H17A 109.5 . . ?
N5 C17 H17B 109.5 . . ?
N5 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N5 C18 H18A 109.5 . . ?
N5 C18 H18B 109.5 . . ?
N5 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 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 O3 C9 N2 -12.7(8) . . . . ?
Dy1 O3 C9 N2 164.5(4) 3_666 . . . ?
Dy1 O3 C9 C10 -15.9(7) 3_666 . . . ?
Dy1 O3 C9 C10 167.0(3) . . . . ?
Dy1 O2 C7 C6 -2.0(8) . . . . ?
Dy1 O2 C7 C2 179.2(4) . . . . ?
Dy1 O5 C14 O4 14.3(6) . . . . ?
Dy1 O5 C14 C15 -164.9(5) . . . . ?
Dy1 O4 C14 O5 -14.6(6) . . . . ?
Dy1 O4 C14 C15 164.6(5) . . . . ?
Dy1 O6 C16 N5 -167.7(4) . . . . ?
Dy1 N1 N2 C9 8.1(5) . . . . ?
Dy1 N1 C8 C6 3.8(8) . . . . ?
Dy1 N3 C10 C9 6.4(6) 3_666 . . . ?
Dy1 N3 C10 C11 -174.5(4) 3_666 . . . ?
Dy1 N3 C13 N4 172.3(4) 3_666 . . . ?
O3 C9 C10 N3 4.8(7) . . . . ?
O3 C9 C10 C11 -174.3(5) . . . . ?
O1 C2 C3 C4 -179.4(5) . . . . ?
O2 C7 C2 O1 -0.5(7) . . . . ?
O2 C7 C2 C3 178.9(5) . . . . ?
N1 N2 C9 O3 2.5(8) . . . . ?
N1 N2 C9 C10 -177.1(4) . . . . ?
N2 N1 C8 C6 -175.1(5) . . . . ?
N2 C9 C10 N3 -175.5(5) . . . . ?
N2 C9 C10 C11 5.4(8) . . . . ?
N3 C10 C11 C12 1.9(8) . . . . ?
C6 C7 C2 O1 -179.4(4) . . . . ?
C6 C7 C2 C3 0.1(8) . . . . ?
C7 C6 C5 C4 -0.8(8) . . . . ?
C7 C6 C8 N1 2.7(8) . . . . ?
C7 C2 C3 C4 1.2(8) . . . . ?
C2 C3 C4 C5 -2.2(9) . . . . ?
C3 C4 C5 C6 2.0(9) . . . . ?
C5 C6 C7 O2 -179.1(5) . . . . ?
C5 C6 C7 C2 -0.3(7) . . . . ?
C5 C6 C8 N1 177.7(5) . . . . ?
C8 N1 N2 C9 -172.9(5) . . . . ?
C8 C6 C7 O2 -4.3(8) . . . . ?
C8 C6 C7 C2 174.5(5) . . . . ?
C8 C6 C5 C4 -176.0(5) . . . . ?
C9 C10 C11 C12 -179.1(5) . . . . ?
C1 O1 C2 C7 177.7(4) . . . . ?
C1 O1 C2 C3 -1.7(7) . . . . ?
C10 N3 C13 N4 0.2(8) . . . . ?
C10 C11 C12 N4 -0.6(9) . . . . ?
C12 N4 C13 N3 1.0(9) . . . . ?
C13 N3 C10 C9 179.2(5) . . . . ?
C13 N3 C10 C11 -1.7(7) . . . . ?
C13 N4 C12 C11 -0.8(8) . . . . ?
C17 N5 C16 O6 -1.9(10) . . . . ?
C18 N5 C16 O6 -179.9(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.399
_oxdiff_exptl_absorpt_empirical_full_min 0.672
_exptl_crystal_preparation       'Magnetic properties'
