# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_exp_14410_auto-aaa
_database_code_depnum_ccdc_archive 'CCDC 2088488'
loop_
_audit_author_name
_audit_author_address
'Hai-Ling Wang'
;Guangxi Normal University
China
;
_audit_update_record             
;
2021-06-07 deposited with the CCDC.	2021-06-17 downloaded from the CCDC.
;
_audit_creation_date             2021-05-21
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H37 Dy N4 O3'
_chemical_formula_sum            'C31 H37 Dy N4 O3'
_chemical_formula_weight         676.14
_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'
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      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                   10.8583(5)
_cell_length_b                   11.7999(4)
_cell_length_c                   13.6050(5)
_cell_angle_alpha                113.197(3)
_cell_angle_beta                 105.551(4)
_cell_angle_gamma                98.574(3)
_cell_volume                     1478.36(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11692
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.7570
_cell_measurement_theta_min      3.7790
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.564
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62115
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.104a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.519
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             682
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_unetI/netI     0.0462
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.908
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22779
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.908
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.822
_diffrn_reflns_theta_min         3.335
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9784
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.908
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -89.00   2.00   1.00    1.00    --  -19.80 -57.00  30.00   91
  2  ω    -42.00  10.00   1.00    1.00    --  -19.80 -77.00-150.00   52
  3  ω    -41.00  49.00   1.00    1.00    --  -19.80  57.00 -60.00   90
  4  ω    -42.00  10.00   1.00    1.00    --  -19.80 -77.00 -60.00   52
  5  ω    -42.00  10.00   1.00    1.00    --  -19.80 -77.00  60.00   52
  6  ω    -41.00  49.00   1.00    1.00    --  -19.80  57.00-150.00   90
  7  ω    -41.00  49.00   1.00    1.00    --  -19.80  57.00-180.00   90
  8  ω     39.00  94.00   1.00    1.00    --   17.85 178.00 150.00   55
  9  ω    -45.00  35.00   1.00    1.00    --  -19.80  38.00 120.00   80
 10  ω    -89.00   2.00   1.00    1.00    --  -19.80 -57.00 150.00   91
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0523197000
_diffrn_orient_matrix_UB_12      0.0232136000
_diffrn_orient_matrix_UB_13      -0.0153067000
_diffrn_orient_matrix_UB_21      0.0467883000
_diffrn_orient_matrix_UB_22      -0.0088302000
_diffrn_orient_matrix_UB_23      0.0420466000
_diffrn_orient_matrix_UB_31      -0.0092611000
_diffrn_orient_matrix_UB_32      -0.0636060000
_diffrn_orient_matrix_UB_33      -0.0411436000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6196
_reflns_number_total             7006
_reflns_odcompleteness_completeness 99.79
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.41.104a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         1.059
_refine_diff_density_min         -0.623
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         7006
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0293
_refine_ls_restrained_S_all      1.058
_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)+(0.0192P)²+0.5877P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0581
_refine_ls_wR_factor_ref         0.0623
_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,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 N1(H1A,H1B), C18(H18A,H18B), C11(H11A,H11B), C8(H8A,H8B), C22(H22A,H22B)
2.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C17(H17), C23(H23), C28(H28), C27(H27), C5(H5), C25(H25), C2(H2),
 C16(H16), C13(H13), C26(H26), C15(H15), C4(H4), C14(H14), C3(H3)
2.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C20(H20A,H20B,H20C), C9(H9A,H9B,H9C), C21(H21A,H21B,H21C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.51190(2) 0.23542(2) 0.64508(2) 0.02850(5) Uani 1 1 d . . . . .
O3 O 0.7013(2) 0.38103(19) 0.76378(18) 0.0404(5) Uani 1 1 d . . . . .
O1 O 0.3121(2) 0.13088(19) 0.50985(18) 0.0367(5) Uani 1 1 d . . . . .
O2 O 0.5756(2) 0.0950(2) 0.70286(18) 0.0383(5) Uani 1 1 d . . . . .
N2 N 0.4992(2) 0.3131(2) 0.4962(2) 0.0285(5) Uani 1 1 d . . . . .
N1 N 0.6355(2) 0.1334(2) 0.5206(2) 0.0338(6) Uani 1 1 d . . . . .
H1A H 0.6646 0.0762 0.5407 0.041 Uiso 1 1 calc R U . . .
H1B H 0.5781 0.0901 0.4486 0.041 Uiso 1 1 calc R U . . .
N3 N 0.4576(2) 0.4409(2) 0.7335(2) 0.0305(5) Uani 1 1 d . . . . .
N4 N 0.3814(2) 0.2132(2) 0.7656(2) 0.0345(6) Uani 1 1 d . . . . .
C7 C 0.3952(3) 0.2996(3) 0.4165(3) 0.0316(7) Uani 1 1 d . . . . .
H7 H 0.4087 0.3405 0.3726 0.038 Uiso 1 1 calc R U . . .
C29 C 0.6101(3) 0.0999(3) 0.8048(3) 0.0318(7) Uani 1 1 d . . . . .
C18 C 0.3143(3) 0.4282(3) 0.7032(3) 0.0370(7) Uani 1 1 d . . . . .
H18A H 0.2694 0.3715 0.6218 0.044 Uiso 1 1 calc R U . . .
H18B H 0.3010 0.5119 0.7177 0.044 Uiso 1 1 calc R U . . .
C11 C 0.7507(3) 0.2206(3) 0.5230(3) 0.0377(7) Uani 1 1 d . . . . .
H11A H 0.8055 0.1700 0.4909 0.045 Uiso 1 1 calc R U . . .
H11B H 0.8044 0.2807 0.6021 0.045 Uiso 1 1 calc R U . . .
C6 C 0.2584(3) 0.2283(3) 0.3859(2) 0.0318(7) Uani 1 1 d . . . . .
C24 C 0.5379(3) 0.1416(3) 0.8781(3) 0.0334(7) Uani 1 1 d . . . . .
C8 C 0.6273(3) 0.3830(3) 0.5040(3) 0.0338(7) Uani 1 1 d . . . . .
H8A H 0.6784 0.4432 0.5837 0.041 Uiso 1 1 calc R U . . .
H8B H 0.6109 0.4326 0.4620 0.041 Uiso 1 1 calc R U . . .
C12 C 0.7555(3) 0.5038(3) 0.8333(3) 0.0345(7) Uani 1 1 d . . . . .
C00H C 0.7117(3) 0.2965(3) 0.4572(3) 0.0340(7) Uani 1 1 d . . . . .
C17 C 0.5361(3) 0.5539(3) 0.7977(3) 0.0347(7) Uani 1 1 d . . . . .
H17 H 0.4962 0.6202 0.8141 0.042 Uiso 1 1 calc R U . . .
C22 C 0.2497(3) 0.2363(3) 0.7420(3) 0.0408(8) Uani 1 1 d . . . . .
H22A H 0.2054 0.2095 0.7857 0.049 Uiso 1 1 calc R U . . .
H22B H 0.1970 0.1817 0.6615 0.049 Uiso 1 1 calc R U . . .
C23 C 0.4182(3) 0.1800(3) 0.8447(3) 0.0379(7) Uani 1 1 d . . . . .
H23 H 0.3623 0.1803 0.8859 0.045 Uiso 1 1 calc R U . . .
C1 C 0.2236(3) 0.1442(3) 0.4314(3) 0.0333(7) Uani 1 1 d . . . . .
C19 C 0.2494(3) 0.3752(3) 0.7695(3) 0.0378(7) Uani 1 1 d . . . . .
C00N C 0.6803(3) 0.5921(3) 0.8485(3) 0.0340(7) Uani 1 1 d . . . . .
C28 C 0.7197(3) 0.0578(3) 0.8433(3) 0.0393(8) Uani 1 1 d . . . . .
H28 H 0.7691 0.0300 0.7969 0.047 Uiso 1 1 calc R U . . .
C27 C 0.7551(3) 0.0567(3) 0.9472(3) 0.0465(9) Uani 1 1 d . . . . .
H27 H 0.8282 0.0287 0.9703 0.056 Uiso 1 1 calc R U . . .
C5 C 0.1589(3) 0.2394(3) 0.3028(3) 0.0438(8) Uani 1 1 d . . . . .
H5 H 0.1823 0.2944 0.2730 0.053 Uiso 1 1 calc R U . . .
C10 C 0.6397(4) 0.2072(3) 0.3296(3) 0.0469(9) Uani 1 1 d . . . . .
H10A H 0.6935 0.1540 0.3017 0.070 Uiso 1 1 calc R U . . .
H10B H 0.6243 0.2576 0.2891 0.070 Uiso 1 1 calc R U . . .
H10C H 0.5557 0.1538 0.3175 0.070 Uiso 1 1 calc R U . . .
C25 C 0.5757(3) 0.1368(3) 0.9817(3) 0.0460(8) Uani 1 1 d . . . . .
H25 H 0.5260 0.1617 1.0283 0.055 Uiso 1 1 calc R U . . .
C2 C 0.0888(3) 0.0739(3) 0.3888(3) 0.0459(8) Uani 1 1 d . . . . .
H2 H 0.0634 0.0168 0.4161 0.055 Uiso 1 1 calc R U . . .
C16 C 0.7461(4) 0.7237(3) 0.9235(3) 0.0471(9) Uani 1 1 d . . . . .
H16 H 0.6966 0.7825 0.9326 0.057 Uiso 1 1 calc R U . . .
C13 C 0.8937(3) 0.5509(3) 0.8961(3) 0.0491(9) Uani 1 1 d . . . . .
H13 H 0.9454 0.4941 0.8877 0.059 Uiso 1 1 calc R U . . .
C20 C 0.3149(4) 0.4626(4) 0.8980(3) 0.0545(10) Uani 1 1 d . . . . .
H20A H 0.4056 0.4606 0.9238 0.082 Uiso 1 1 calc R U . . .
H20B H 0.2669 0.4333 0.9373 0.082 Uiso 1 1 calc R U . . .
H20C H 0.3137 0.5491 0.9137 0.082 Uiso 1 1 calc R U . . .
C26 C 0.6839(4) 0.0966(4) 1.0182(3) 0.0537(10) Uani 1 1 d . . . . .
H26 H 0.7085 0.0963 1.0890 0.064 Uiso 1 1 calc R U . . .
C15 C 0.8797(4) 0.7666(3) 0.9828(3) 0.0578(11) Uani 1 1 d . . . . .
H15 H 0.9210 0.8537 1.0318 0.069 Uiso 1 1 calc R U . . .
C9 C 0.8426(3) 0.3873(4) 0.4758(3) 0.0557(10) Uani 1 1 d . . . . .
H9A H 0.8868 0.4454 0.5560 0.084 Uiso 1 1 calc R U . . .
H9B H 0.8231 0.4357 0.4340 0.084 Uiso 1 1 calc R U . . .
H9C H 0.8997 0.3375 0.4491 0.084 Uiso 1 1 calc R U . . .
C4 C 0.0281(4) 0.1711(4) 0.2647(3) 0.0592(11) Uani 1 1 d . . . . .
H4 H -0.0370 0.1807 0.2105 0.071 Uiso 1 1 calc R U . . .
C21 C 0.1020(3) 0.3726(4) 0.7286(4) 0.0614(11) Uani 1 1 d . . . . .
H21A H 0.0963 0.4588 0.7490 0.092 Uiso 1 1 calc R U . . .
H21B H 0.0552 0.3356 0.7645 0.092 Uiso 1 1 calc R U . . .
H21C H 0.0625 0.3218 0.6469 0.092 Uiso 1 1 calc R U . . .
C14 C 0.9535(4) 0.6797(4) 0.9698(3) 0.0606(11) Uani 1 1 d . . . . .
H14 H 1.0447 0.7086 1.0113 0.073 Uiso 1 1 calc R U . . .
C3 C -0.0065(4) 0.0874(4) 0.3078(3) 0.0592(11) Uani 1 1 d . . . . .
H3 H -0.0951 0.0400 0.2816 0.071 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 O3 2.184(2) . ?
Dy1 O1 2.211(2) . ?
Dy1 O2 2.218(2) . ?
Dy1 N2 2.513(2) . ?
Dy1 N1 2.493(2) . ?
Dy1 N3 2.487(2) . ?
Dy1 N4 2.497(2) . ?
O3 C12 1.306(3) . ?
O1 C1 1.309(3) . ?
O2 C29 1.311(3) . ?
N2 C7 1.277(4) . ?
N2 C8 1.462(4) . ?
N1 H1A 0.8900 . ?
N1 H1B 0.8900 . ?
N1 C11 1.480(4) . ?
N3 C18 1.467(4) . ?
N3 C17 1.270(4) . ?
N4 C22 1.470(4) . ?
N4 C23 1.272(4) . ?
C7 H7 0.9300 . ?
C7 C6 1.452(4) . ?
C29 C24 1.413(4) . ?
C29 C28 1.409(4) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.534(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C00H 1.525(4) . ?
C6 C1 1.417(4) . ?
C6 C5 1.403(4) . ?
C24 C23 1.456(4) . ?
C24 C25 1.385(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C00H 1.537(4) . ?
C12 C00N 1.404(4) . ?
C12 C13 1.407(4) . ?
C00H C10 1.524(4) . ?
C00H C9 1.541(4) . ?
C17 H17 0.9300 . ?
C17 C00N 1.447(4) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C19 1.532(4) . ?
C23 H23 0.9300 . ?
C1 C2 1.404(4) . ?
C19 C20 1.522(5) . ?
C19 C21 1.539(4) . ?
C00N C16 1.412(4) . ?
C28 H28 0.9300 . ?
C28 C27 1.368(5) . ?
C27 H27 0.9300 . ?
C27 C26 1.378(5) . ?
C5 H5 0.9300 . ?
C5 C4 1.368(5) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C25 H25 0.9300 . ?
C25 C26 1.375(5) . ?
C2 H2 0.9300 . ?
C2 C3 1.373(5) . ?
C16 H16 0.9300 . ?
C16 C15 1.358(5) . ?
C13 H13 0.9300 . ?
C13 C14 1.376(5) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C26 H26 0.9300 . ?
C15 H15 0.9300 . ?
C15 C14 1.379(5) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C4 H4 0.9300 . ?
C4 C3 1.387(6) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C14 H14 0.9300 . ?
C3 H3 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Dy1 O1 163.74(8) . . ?
O3 Dy1 O2 90.42(8) . . ?
O3 Dy1 N2 92.72(8) . . ?
O3 Dy1 N1 87.40(8) . . ?
O3 Dy1 N3 73.54(8) . . ?
O3 Dy1 N4 106.04(8) . . ?
O1 Dy1 O2 105.76(8) . . ?
O1 Dy1 N2 73.26(8) . . ?
O1 Dy1 N1 94.92(8) . . ?
O1 Dy1 N3 95.20(8) . . ?
O1 Dy1 N4 80.65(8) . . ?
O2 Dy1 N2 144.51(7) . . ?
O2 Dy1 N1 75.91(8) . . ?
O2 Dy1 N3 135.59(8) . . ?
O2 Dy1 N4 73.57(8) . . ?
N1 Dy1 N2 68.94(8) . . ?
N1 Dy1 N4 146.57(8) . . ?
N3 Dy1 N2 78.73(7) . . ?
N3 Dy1 N1 141.53(8) . . ?
N3 Dy1 N4 71.82(8) . . ?
N4 Dy1 N2 138.33(8) . . ?
C12 O3 Dy1 143.52(19) . . ?
C1 O1 Dy1 140.36(19) . . ?
C29 O2 Dy1 130.57(17) . . ?
C7 N2 Dy1 127.9(2) . . ?
C7 N2 C8 117.1(3) . . ?
C8 N2 Dy1 115.05(18) . . ?
Dy1 N1 H1A 108.1 . . ?
Dy1 N1 H1B 108.1 . . ?
H1A N1 H1B 107.3 . . ?
C11 N1 Dy1 116.74(18) . . ?
C11 N1 H1A 108.1 . . ?
C11 N1 H1B 108.1 . . ?
C18 N3 Dy1 114.44(18) . . ?
C17 N3 Dy1 129.0(2) . . ?
C17 N3 C18 116.6(2) . . ?
C22 N4 Dy1 118.09(19) . . ?
C23 N4 Dy1 125.2(2) . . ?
C23 N4 C22 116.7(3) . . ?
N2 C7 H7 116.0 . . ?
N2 C7 C6 128.0(3) . . ?
C6 C7 H7 116.0 . . ?
O2 C29 C24 122.5(3) . . ?
O2 C29 C28 120.0(3) . . ?
C28 C29 C24 117.4(3) . . ?
N3 C18 H18A 108.8 . . ?
N3 C18 H18B 108.8 . . ?
N3 C18 C19 113.8(2) . . ?
H18A C18 H18B 107.7 . . ?
C19 C18 H18A 108.8 . . ?
C19 C18 H18B 108.8 . . ?
N1 C11 H11A 108.8 . . ?
N1 C11 H11B 108.8 . . ?
N1 C11 C00H 114.0(2) . . ?
H11A C11 H11B 107.7 . . ?
C00H C11 H11A 108.8 . . ?
C00H C11 H11B 108.8 . . ?
C1 C6 C7 123.0(3) . . ?
C5 C6 C7 117.3(3) . . ?
C5 C6 C1 119.6(3) . . ?
C29 C24 C23 122.3(3) . . ?
C25 C24 C29 119.1(3) . . ?
C25 C24 C23 118.4(3) . . ?
N2 C8 H8A 108.7 . . ?
N2 C8 H8B 108.7 . . ?
N2 C8 C00H 114.3(2) . . ?
H8A C8 H8B 107.6 . . ?
C00H C8 H8A 108.7 . . ?
C00H C8 H8B 108.7 . . ?
O3 C12 C00N 122.2(3) . . ?
O3 C12 C13 119.9(3) . . ?
C00N C12 C13 118.0(3) . . ?
C11 C00H C8 112.8(3) . . ?
C11 C00H C9 106.5(3) . . ?
C8 C00H C9 106.4(3) . . ?
C10 C00H C11 111.1(3) . . ?
C10 C00H C8 110.5(3) . . ?
C10 C00H C9 109.4(3) . . ?
N3 C17 H17 116.1 . . ?
N3 C17 C00N 127.9(3) . . ?
C00N C17 H17 116.1 . . ?
N4 C22 H22A 108.3 . . ?
N4 C22 H22B 108.3 . . ?
N4 C22 C19 116.1(3) . . ?
H22A C22 H22B 107.4 . . ?
C19 C22 H22A 108.3 . . ?
C19 C22 H22B 108.3 . . ?
N4 C23 C24 127.5(3) . . ?
N4 C23 H23 116.3 . . ?
C24 C23 H23 116.3 . . ?
O1 C1 C6 122.3(3) . . ?
O1 C1 C2 120.4(3) . . ?
C2 C1 C6 117.3(3) . . ?
C18 C19 C21 105.9(3) . . ?
C22 C19 C18 113.4(3) . . ?
C22 C19 C21 106.3(3) . . ?
C20 C19 C18 110.7(3) . . ?
C20 C19 C22 110.6(3) . . ?
C20 C19 C21 109.7(3) . . ?
C12 C00N C17 123.1(3) . . ?
C12 C00N C16 119.0(3) . . ?
C16 C00N C17 117.7(3) . . ?
C29 C28 H28 119.2 . . ?
C27 C28 C29 121.6(3) . . ?
C27 C28 H28 119.2 . . ?
C28 C27 H27 119.5 . . ?
C28 C27 C26 120.9(3) . . ?
C26 C27 H27 119.5 . . ?
C6 C5 H5 119.3 . . ?
C4 C5 C6 121.4(3) . . ?
C4 C5 H5 119.3 . . ?
C00H C10 H10A 109.5 . . ?
C00H C10 H10B 109.5 . . ?
C00H C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C24 C25 H25 118.7 . . ?
C26 C25 C24 122.5(3) . . ?
C26 C25 H25 118.7 . . ?
C1 C2 H2 119.2 . . ?
C3 C2 C1 121.6(3) . . ?
C3 C2 H2 119.2 . . ?
C00N C16 H16 119.1 . . ?
C15 C16 C00N 121.7(3) . . ?
C15 C16 H16 119.1 . . ?
C12 C13 H13 119.5 . . ?
C14 C13 C12 121.1(3) . . ?
C14 C13 H13 119.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C27 C26 H26 120.8 . . ?
C25 C26 C27 118.4(3) . . ?
C25 C26 H26 120.8 . . ?
C16 C15 H15 120.3 . . ?
C16 C15 C14 119.4(3) . . ?
C14 C15 H15 120.3 . . ?
C00H C9 H9A 109.5 . . ?
C00H C9 H9B 109.5 . . ?
C00H C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C4 H4 120.4 . . ?
C5 C4 C3 119.2(3) . . ?
C3 C4 H4 120.4 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C13 C14 C15 120.8(4) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 H14 119.6 . . ?
C2 C3 C4 120.7(3) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O3 C12 C00N -1.2(5) . . . . ?
Dy1 O3 C12 C13 178.7(3) . . . . ?
Dy1 O1 C1 C6 22.6(5) . . . . ?
Dy1 O1 C1 C2 -157.5(2) . . . . ?
Dy1 O2 C29 C24 44.3(4) . . . . ?
Dy1 O2 C29 C28 -138.3(2) . . . . ?
Dy1 N2 C7 C6 -4.7(4) . . . . ?
Dy1 N2 C8 C00H 77.3(3) . . . . ?
Dy1 N1 C11 C00H -75.5(3) . . . . ?
Dy1 N3 C18 C19 78.3(3) . . . . ?
Dy1 N3 C17 C00N -8.3(5) . . . . ?
Dy1 N4 C22 C19 -68.0(3) . . . . ?
Dy1 N4 C23 C24 -3.6(5) . . . . ?
O3 C12 C00N C17 6.2(5) . . . . ?
O3 C12 C00N C16 -178.9(3) . . . . ?
O3 C12 C13 C14 179.9(3) . . . . ?
O1 C1 C2 C3 178.9(3) . . . . ?
O2 C29 C24 C23 1.2(5) . . . . ?
O2 C29 C24 C25 176.1(3) . . . . ?
O2 C29 C28 C27 -177.4(3) . . . . ?
N2 C7 C6 C1 -10.5(5) . . . . ?
N2 C7 C6 C5 173.1(3) . . . . ?
N2 C8 C00H C11 -62.1(3) . . . . ?
N2 C8 C00H C10 62.8(3) . . . . ?
N2 C8 C00H C9 -178.6(3) . . . . ?
N1 C11 C00H C8 60.0(3) . . . . ?
N1 C11 C00H C10 -64.6(3) . . . . ?
N1 C11 C00H C9 176.4(3) . . . . ?
N3 C18 C19 C22 -65.3(3) . . . . ?
N3 C18 C19 C20 59.6(3) . . . . ?
N3 C18 C19 C21 178.5(3) . . . . ?
N3 C17 C00N C12 -0.8(5) . . . . ?
N3 C17 C00N C16 -175.8(3) . . . . ?
N4 C22 C19 C18 59.4(4) . . . . ?
N4 C22 C19 C20 -65.6(4) . . . . ?
N4 C22 C19 C21 175.4(3) . . . . ?
C7 N2 C8 C00H -103.3(3) . . . . ?
C7 C6 C1 O1 4.3(4) . . . . ?
C7 C6 C1 C2 -175.6(3) . . . . ?
C7 C6 C5 C4 176.9(3) . . . . ?
C29 C24 C23 N4 -19.3(5) . . . . ?
C29 C24 C25 C26 2.1(5) . . . . ?
C29 C28 C27 C26 0.3(5) . . . . ?
C18 N3 C17 C00N 174.0(3) . . . . ?
C6 C1 C2 C3 -1.2(5) . . . . ?
C6 C5 C4 C3 -1.1(6) . . . . ?
C24 C29 C28 C27 0.2(5) . . . . ?
C24 C25 C26 C27 -1.6(6) . . . . ?
C8 N2 C7 C6 175.9(3) . . . . ?
C12 C00N C16 C15 -1.1(5) . . . . ?
C12 C13 C14 C15 -1.0(6) . . . . ?
C17 N3 C18 C19 -103.7(3) . . . . ?
C17 C00N C16 C15 174.1(3) . . . . ?
C22 N4 C23 C24 174.6(3) . . . . ?
C23 N4 C22 C19 113.7(3) . . . . ?
C23 C24 C25 C26 177.2(3) . . . . ?
C1 C6 C5 C4 0.4(5) . . . . ?
C1 C2 C3 C4 0.4(6) . . . . ?
C00N C12 C13 C14 -0.3(5) . . . . ?
C00N C16 C15 C14 -0.1(6) . . . . ?
C28 C29 C24 C23 -176.3(3) . . . . ?
C28 C29 C24 C25 -1.4(4) . . . . ?
C28 C27 C26 C25 0.4(6) . . . . ?
C5 C6 C1 O1 -179.3(3) . . . . ?
C5 C6 C1 C2 0.8(4) . . . . ?
C5 C4 C3 C2 0.7(6) . . . . ?
C25 C24 C23 N4 165.8(3) . . . . ?
C16 C15 C14 C13 1.1(6) . . . . ?
C13 C12 C00N C17 -173.7(3) . . . . ?
C13 C12 C00N C16 1.3(5) . . . . ?

_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 1.776
_oxdiff_exptl_absorpt_empirical_full_min 0.642
