# Supplementary Information (SI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_ha_py_auto
_audit_block_doi                 10.5517/ccdc.csd.cc2px0tg
_database_code_depnum_ccdc_archive 'CCDC 2499586'
loop_
_audit_author_name
_audit_author_address
LIUCHENYANG
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2025-11-01 deposited with the CCDC.	2026-02-10 downloaded from the CCDC.
;
_audit_creation_date             2025-10-21
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C70 H46 Dy2 N8 O12), 4(C3 H7 N O)'
_chemical_formula_sum            'C152 H120 Dy4 N20 O28'
_chemical_formula_weight         3324.67
_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   31.1367(13)
_cell_length_b                   13.3057(7)
_cell_length_c                   32.8861(15)
_cell_angle_alpha                90
_cell_angle_beta                 91.703(4)
_cell_angle_gamma                90
_cell_volume                     13618.5(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8591
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.2620
_cell_measurement_theta_min      2.0730
_shelx_estimated_absorpt_T_max   0.806
_shelx_estimated_absorpt_T_min   0.806
_exptl_absorpt_coefficient_mu    2.254
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53229
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.92a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6640
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0695
_diffrn_reflns_av_unetI/netI     0.0965
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.788
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            47918
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.788
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.046
_diffrn_reflns_theta_min         2.063
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.788
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -6.00  37.00   0.50    1.50    --    4.91 -99.00 -60.00   86
  2  ω     -9.00  16.00   0.50    1.50    --   -5.92 -99.00  90.00   50
  3  ω    -79.00 -10.00   0.50    1.50    --   -5.92 -37.00 150.00  138
  4  ω     -7.00  61.00   0.50    1.50    --    4.91  37.00  60.00  136
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0045905000
_diffrn_orient_matrix_UB_12      0.0379294000
_diffrn_orient_matrix_UB_13      0.0146525000
_diffrn_orient_matrix_UB_21      -0.0031925000
_diffrn_orient_matrix_UB_22      0.0373626000
_diffrn_orient_matrix_UB_23      -0.0151605000
_diffrn_orient_matrix_UB_31      -0.0220948000
_diffrn_orient_matrix_UB_32      0.0024855000
_diffrn_orient_matrix_UB_33      0.0045919000
_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              'Mova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10307
_reflns_number_total             17183
_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 1.171.42.92a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.92a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.92a (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 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         1.051
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     923
_refine_ls_number_reflns         17183
_refine_ls_number_restraints     64
_refine_ls_R_factor_all          0.1146
_refine_ls_R_factor_gt           0.0600
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0404P)²+69.6593P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1301
_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. Restrained distances
 C71-O13
 1.2164 with sigma of 0.02
 O14-C76
 1.2164 with sigma of 0.02
 C72-C73
 2.4848 with sigma of 0.02
 C74-C75
 2.4848 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C72) \\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(N9) \\sim Ueq, Uanis(C73)
\\sim Ueq, Uanis(O13) \\sim Ueq: with sigma of 0.02 and sigma for terminal
atoms of 0.03
Uanis(O14) \\sim Ueq, Uanis(N10) \\sim Ueq, Uanis(C75) \\sim Ueq, Uanis(C74)
\\sim Ueq, Uanis(C76) \\sim Ueq: with sigma of 0.02 and sigma for terminal
atoms of 0.03
4.a Aromatic/amide H refined with riding coordinates:
 C10(H10), C43(H43), C3(H3), C1(H1), C36(H36), C45(H45), C2(H2), C38(H38),
 C37(H37), C44(H44), C49(H49), C48(H48), C12(H12), C28(H28), C13(H13), C11(H11),
  C35(H35), C14(H14), C66(H66), C24(H24), C34(H34), C56(H56), C52(H52),
 C59(H59), C55(H55), C25(H25), C27(H27), C21(H21), C67(H67), C17(H17), C31(H31),
  C63(H63), C69(H69), C70(H70), C32(H32), C26(H26), C54(H54), C68(H68),
 C60(H60), C33(H33), C20(H20), C62(H62), C61(H61), C18(H18), C53(H53), C19(H19),
  C71(H71), C76(H76)
4.b Idealised Me refined as rotating group:
 C75(H75A,H75B,H75C), C74(H74A,H74B,H74C), C72(H72A,H72B,H72C), C73(H73A,H73B,
 H73C)
;
_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 0.69046(2) 0.32289(2) 0.74093(2) 0.03563(8) Uani 1 1 d . . . . .
Dy2 Dy 0.49036(2) 0.06935(2) 0.55430(2) 0.03896(9) Uani 1 1 d . . . . .
O6 O 0.82413(15) 0.3439(4) 0.74013(15) 0.0515(12) Uani 1 1 d . . . . .
O3 O 0.72688(13) 0.3206(4) 0.80231(14) 0.0496(12) Uani 1 1 d . . . . .
N6 N 0.53944(15) 0.0647(4) 0.62020(15) 0.0359(11) Uani 1 1 d . . . . .
O4 O 0.79272(14) 0.2668(4) 0.81761(14) 0.0479(12) Uani 1 1 d . . . . .
O9 O 0.55944(15) 0.0759(4) 0.53131(14) 0.0555(13) Uani 1 1 d . . . . .
O10 O 0.57033(14) 0.0203(4) 0.46810(14) 0.0496(12) Uani 1 1 d . . . . .
O7 O 0.43408(15) 0.1964(4) 0.55458(15) 0.0534(12) Uani 1 1 d . . . . .
O12 O 0.49498(17) 0.0962(4) 0.42172(15) 0.0573(13) Uani 1 1 d . . . . .
O8 O 0.49840(15) 0.2425(4) 0.57588(14) 0.0516(12) Uani 1 1 d . . . . .
N2 N 0.62677(15) 0.3152(4) 0.79057(15) 0.0374(12) Uani 1 1 d . . . . .
O2 O 0.67609(16) 0.4951(4) 0.75734(17) 0.0578(13) Uani 1 1 d . . . . .
O1 O 0.67595(16) 0.4591(4) 0.69198(16) 0.0574(13) Uani 1 1 d . . . . .
N1 N 0.61555(15) 0.3076(4) 0.70895(15) 0.0391(12) Uani 1 1 d . . . . .
O5 O 0.75664(15) 0.3878(4) 0.72728(17) 0.0624(14) Uani 1 1 d . . . . .
N8 N 0.54922(19) 0.0535(4) 0.76668(17) 0.0486(14) Uani 1 1 d . . . . .
N7 N 0.4586(2) 0.0562(4) 0.76861(17) 0.0504(15) Uani 1 1 d . . . . .
N5 N 0.45267(15) 0.0638(4) 0.62191(16) 0.0412(12) Uani 1 1 d . . . . .
C41 C 0.52151(18) 0.0602(4) 0.65723(18) 0.0346(13) Uani 1 1 d . . . . .
O11 O 0.48697(16) 0.1218(5) 0.48724(16) 0.0656(15) Uani 1 1 d . . . . .
C42 C 0.5466(2) 0.0558(4) 0.69355(19) 0.0372(14) Uani 1 1 d . . . . .
C9 C 0.58581(17) 0.3104(4) 0.77522(18) 0.0322(13) Uani 1 1 d . . . . .
C5 C 0.57985(17) 0.3075(4) 0.73117(18) 0.0327(13) Uani 1 1 d . . . . .
N3 N 0.46170(16) 0.3031(4) 0.72143(19) 0.0511(15) Uani 1 1 d . . . . .
C40 C 0.47491(18) 0.0613(4) 0.65770(18) 0.0348(13) Uani 1 1 d . . . . .
C7 C 0.50715(18) 0.3047(5) 0.7816(2) 0.0392(15) Uani 1 1 d . . . . .
N4 N 0.47303(17) 0.3016(4) 0.80683(19) 0.0523(15) Uani 1 1 d . . . . .
C47 C 0.5246(2) 0.0552(4) 0.73203(19) 0.0379(14) Uani 1 1 d . . . . .
C8 C 0.55007(19) 0.3059(5) 0.8003(2) 0.0394(14) Uani 1 1 d . . . . .
C6 C 0.50120(18) 0.3045(4) 0.7391(2) 0.0390(15) Uani 1 1 d . . . . .
C46 C 0.4800(2) 0.0575(4) 0.73283(19) 0.0396(15) Uani 1 1 d . . . . .
C39 C 0.45403(19) 0.0614(5) 0.69516(19) 0.0383(14) Uani 1 1 d . . . . .
C10 C 0.5570(2) 0.3084(5) 0.8426(2) 0.0466(16) Uani 1 1 d . . . . .
H10 H 0.534105 0.307564 0.860044 0.056 Uiso 1 1 calc R U . . .
C43 C 0.5909(2) 0.0538(5) 0.6914(2) 0.0454(16) Uani 1 1 d . . . . .
H43 H 0.608009 0.051893 0.715052 0.055 Uiso 1 1 calc R U . . .
C4 C 0.53817(19) 0.3050(5) 0.71363(19) 0.0369(14) Uani 1 1 d . . . . .
C3 C 0.5341(2) 0.3047(5) 0.6714(2) 0.0462(17) Uani 1 1 d . . . . .
H3 H 0.506966 0.303279 0.658758 0.055 Uiso 1 1 calc R U . . .
C29 C 0.7965(2) 0.3998(5) 0.7235(2) 0.0457(16) Uani 1 1 d . . . . .
C1 C 0.6103(2) 0.3072(5) 0.6684(2) 0.0451(16) Uani 1 1 d . . . . .
H1 H 0.634539 0.307413 0.652596 0.054 Uiso 1 1 calc R U . . .
C36 C 0.4099(2) 0.0671(5) 0.6226(2) 0.0473(16) Uani 1 1 d . . . . .
H36 H 0.394408 0.068481 0.597960 0.057 Uiso 1 1 calc R U . . .
C45 C 0.58259(19) 0.0598(5) 0.6192(2) 0.0445(16) Uani 1 1 d . . . . .
H45 H 0.595256 0.059892 0.593908 0.053 Uiso 1 1 calc R U . . .
C2 C 0.5698(2) 0.3066(6) 0.6488(2) 0.0520(18) Uani 1 1 d . . . . .
H2 H 0.567428 0.307462 0.620526 0.062 Uiso 1 1 calc R U . . .
C38 C 0.4095(2) 0.0652(5) 0.6940(2) 0.0508(17) Uani 1 1 d . . . . .
H38 H 0.394747 0.065285 0.718223 0.061 Uiso 1 1 calc R U . . .
C23 C 0.76240(19) 0.3893(6) 0.8599(2) 0.0449(16) Uani 1 1 d . . . . .
C22 C 0.7601(2) 0.3205(5) 0.8244(2) 0.0413(15) Uani 1 1 d . . . . .
C15 C 0.6758(2) 0.5227(6) 0.7202(3) 0.0490(17) Uani 1 1 d . . . . .
C37 C 0.3874(2) 0.0686(6) 0.6582(2) 0.0546(19) Uani 1 1 d . . . . .
H37 H 0.357536 0.071898 0.657492 0.065 Uiso 1 1 calc R U . . .
C50 C 0.4592(2) 0.2633(5) 0.5674(2) 0.0457(16) Uani 1 1 d . . . . .
C64 C 0.4844(2) 0.1510(5) 0.4507(2) 0.0451(16) Uani 1 1 d . . . . .
C51 C 0.4435(2) 0.3680(6) 0.5720(2) 0.0520(18) Uani 1 1 d . . . . .
C44 C 0.6093(2) 0.0547(6) 0.6537(2) 0.0510(18) Uani 1 1 d . . . . .
H44 H 0.638942 0.051873 0.651546 0.061 Uiso 1 1 calc R U . . .
C49 C 0.5283(3) 0.0520(6) 0.8005(2) 0.0555(19) Uani 1 1 d . . . . .
H49 H 0.543984 0.049966 0.824986 0.067 Uiso 1 1 calc R U . . .
C48 C 0.4841(3) 0.0531(5) 0.8017(2) 0.058(2) Uani 1 1 d . . . . .
H48 H 0.471519 0.051712 0.826972 0.069 Uiso 1 1 calc R U . . .
C30 C 0.8108(2) 0.4847(5) 0.6978(2) 0.0457(16) Uani 1 1 d . . . . .
C12 C 0.6322(2) 0.3154(5) 0.83098(19) 0.0455(16) Uani 1 1 d . . . . .
H12 H 0.659983 0.318064 0.842025 0.055 Uiso 1 1 calc R U . . .
C57 C 0.5792(2) 0.0749(6) 0.4985(2) 0.0460(16) Uani 1 1 d . . . . .
C28 C 0.7892(2) 0.3704(7) 0.8926(2) 0.061(2) Uani 1 1 d . . . . .
H28 H 0.806523 0.313468 0.892885 0.073 Uiso 1 1 calc R U . . .
C13 C 0.4292(2) 0.3000(5) 0.7463(3) 0.057(2) Uani 1 1 d . . . . .
H13 H 0.401462 0.298200 0.735094 0.069 Uiso 1 1 calc R U . . .
C11 C 0.5981(2) 0.3119(6) 0.8573(2) 0.0525(18) Uani 1 1 d . . . . .
H11 H 0.603605 0.312005 0.885217 0.063 Uiso 1 1 calc R U . . .
C16 C 0.6783(2) 0.6333(6) 0.7107(3) 0.0546(19) Uani 1 1 d . . . . .
C35 C 0.8538(2) 0.5005(6) 0.6918(2) 0.0544(19) Uani 1 1 d . . . . .
H35 H 0.874179 0.457735 0.703719 0.065 Uiso 1 1 calc R U . . .
C58 C 0.6159(2) 0.1463(6) 0.4951(2) 0.0537(19) Uani 1 1 d . . . . .
C14 C 0.4346(2) 0.2994(6) 0.7885(3) 0.057(2) Uani 1 1 d . . . . .
H14 H 0.410332 0.297300 0.804303 0.068 Uiso 1 1 calc R U . . .
C65 C 0.4655(2) 0.2522(6) 0.4415(2) 0.0541(19) Uani 1 1 d . . . . .
C66 C 0.4461(2) 0.2685(7) 0.4034(3) 0.066(2) Uani 1 1 d . . . . .
H66 H 0.446662 0.218898 0.383505 0.079 Uiso 1 1 calc R U . . .
C24 C 0.7365(2) 0.4746(7) 0.8598(3) 0.065(2) Uani 1 1 d . . . . .
H24 H 0.718284 0.488304 0.837605 0.078 Uiso 1 1 calc R U . . .
C34 C 0.8668(3) 0.5809(7) 0.6678(3) 0.075(3) Uani 1 1 d . . . . .
H34 H 0.895915 0.592229 0.664247 0.090 Uiso 1 1 calc R U . . .
C56 C 0.4700(3) 0.4434(6) 0.5857(2) 0.066(2) Uani 1 1 d . . . . .
H56 H 0.497990 0.428648 0.594428 0.079 Uiso 1 1 calc R U . . .
C52 C 0.4014(3) 0.3919(7) 0.5603(3) 0.076(3) Uani 1 1 d . . . . .
H52 H 0.382534 0.340729 0.552530 0.091 Uiso 1 1 calc R U . . .
C59 C 0.6475(2) 0.1307(7) 0.4675(3) 0.073(2) Uani 1 1 d . . . . .
H59 H 0.645318 0.075769 0.450016 0.087 Uiso 1 1 calc R U . . .
C55 C 0.4552(3) 0.5433(7) 0.5868(3) 0.075(3) Uani 1 1 d . . . . .
H55 H 0.473400 0.594460 0.595869 0.090 Uiso 1 1 calc R U . . .
C25 C 0.7379(3) 0.5388(8) 0.8928(3) 0.092(3) Uani 1 1 d . . . . .
H25 H 0.720199 0.595060 0.893135 0.111 Uiso 1 1 calc R U . . .
C27 C 0.7906(3) 0.4360(9) 0.9257(3) 0.088(3) Uani 1 1 d . . . . .
H27 H 0.808654 0.422811 0.948050 0.106 Uiso 1 1 calc R U . . .
C21 C 0.6861(3) 0.7022(6) 0.7411(3) 0.075(3) Uani 1 1 d . . . . .
H21 H 0.688204 0.681140 0.768038 0.090 Uiso 1 1 calc R U . . .
C67 C 0.4262(3) 0.3586(10) 0.3957(4) 0.097(4) Uani 1 1 d . . . . .
H67 H 0.412851 0.369274 0.370380 0.116 Uiso 1 1 calc R U . . .
C17 C 0.6742(3) 0.6651(7) 0.6712(3) 0.075(3) Uani 1 1 d . . . . .
H17 H 0.668512 0.618511 0.650668 0.090 Uiso 1 1 calc R U . . .
C31 C 0.7812(3) 0.5484(7) 0.6787(3) 0.082(3) Uani 1 1 d . . . . .
H31 H 0.751951 0.538494 0.682229 0.098 Uiso 1 1 calc R U . . .
C63 C 0.6192(3) 0.2293(7) 0.5203(3) 0.083(3) Uani 1 1 d . . . . .
H63 H 0.598116 0.241248 0.539173 0.100 Uiso 1 1 calc R U . . .
C69 C 0.4467(4) 0.4191(8) 0.4610(4) 0.119(5) Uani 1 1 d . . . . .
H69 H 0.447324 0.471302 0.479844 0.143 Uiso 1 1 calc R U . . .
C70 C 0.4673(3) 0.3283(7) 0.4707(3) 0.082(3) Uani 1 1 d . . . . .
H70 H 0.481693 0.319162 0.495577 0.099 Uiso 1 1 calc R U . . .
C32 C 0.7948(3) 0.6262(8) 0.6547(4) 0.104(4) Uani 1 1 d . . . . .
H32 H 0.774612 0.668084 0.641909 0.125 Uiso 1 1 calc R U . . .
C26 C 0.7653(3) 0.5197(9) 0.9249(3) 0.099(4) Uani 1 1 d . . . . .
H26 H 0.766790 0.564364 0.946647 0.119 Uiso 1 1 calc R U . . .
C54 C 0.4142(4) 0.5646(8) 0.5744(3) 0.092(3) Uani 1 1 d . . . . .
H54 H 0.404331 0.630445 0.575593 0.110 Uiso 1 1 calc R U . . .
C68 C 0.4253(4) 0.4323(11) 0.4239(5) 0.127(6) Uani 1 1 d . . . . .
H68 H 0.410500 0.491599 0.418419 0.152 Uiso 1 1 calc R U . . .
C60 C 0.6826(3) 0.1942(11) 0.4648(4) 0.116(4) Uani 1 1 d . . . . .
H60 H 0.704165 0.181810 0.446393 0.139 Uiso 1 1 calc R U . . .
C33 C 0.8374(3) 0.6425(8) 0.6495(3) 0.092(3) Uani 1 1 d . . . . .
H33 H 0.846310 0.695695 0.633438 0.111 Uiso 1 1 calc R U . . .
C20 C 0.6907(4) 0.8026(9) 0.7318(4) 0.106(4) Uani 1 1 d . . . . .
H20 H 0.696118 0.849003 0.752519 0.127 Uiso 1 1 calc R U . . .
C62 C 0.6534(5) 0.2944(9) 0.5175(4) 0.120(4) Uani 1 1 d . . . . .
H62 H 0.655438 0.350770 0.534221 0.144 Uiso 1 1 calc R U . . .
C61 C 0.6844(5) 0.2749(13) 0.4899(5) 0.143(6) Uani 1 1 d . . . . .
H61 H 0.707602 0.318733 0.488263 0.172 Uiso 1 1 calc R U . . .
C18 C 0.6785(3) 0.7652(9) 0.6615(4) 0.103(4) Uani 1 1 d . . . . .
H18 H 0.675479 0.786398 0.634660 0.124 Uiso 1 1 calc R U . . .
C53 C 0.3870(4) 0.4900(8) 0.5601(4) 0.100(4) Uani 1 1 d . . . . .
H53 H 0.359457 0.505545 0.550406 0.121 Uiso 1 1 calc R U . . .
C19 C 0.6875(3) 0.8340(9) 0.6923(6) 0.114(5) Uani 1 1 d . . . . .
H19 H 0.691254 0.901510 0.685988 0.137 Uiso 1 1 calc R U . . .
N10 N 0.3306(3) 0.2184(10) 0.4917(4) 0.119(3) Uani 1 1 d . U . . .
C71 C 0.7057(7) 0.4276(15) 0.6040(6) 0.175(7) Uani 1 1 d D U . . .
H71 H 0.702744 0.384213 0.625932 0.210 Uiso 1 1 calc R U . . .
N9 N 0.7466(6) 0.4399(15) 0.5851(6) 0.194(6) Uani 1 1 d . U . . .
C75 C 0.3616(5) 0.1571(13) 0.4713(6) 0.184(7) Uani 1 1 d D U . . .
H75A H 0.350022 0.137202 0.445126 0.275 Uiso 1 1 calc R U . . .
H75B H 0.367940 0.098344 0.487315 0.275 Uiso 1 1 calc R U . . .
H75C H 0.387472 0.195013 0.467840 0.275 Uiso 1 1 calc R U . . .
C74 C 0.3174(6) 0.3077(14) 0.4731(7) 0.244(11) Uani 1 1 d D U . . .
H74A H 0.338887 0.329489 0.454743 0.367 Uiso 1 1 calc R U . . .
H74B H 0.313477 0.358215 0.493512 0.367 Uiso 1 1 calc R U . . .
H74C H 0.290769 0.296849 0.458317 0.367 Uiso 1 1 calc R U . . .
C72 C 0.7565(6) 0.5002(16) 0.5509(6) 0.218(10) Uani 1 1 d D U . . .
H72A H 0.730367 0.520183 0.536996 0.327 Uiso 1 1 calc R U . . .
H72B H 0.773853 0.462252 0.532800 0.327 Uiso 1 1 calc R U . . .
H72C H 0.771992 0.558860 0.559978 0.327 Uiso 1 1 calc R U . . .
C73 C 0.7845(7) 0.3782(16) 0.6056(6) 0.248(11) Uani 1 1 d D U . . .
H73A H 0.773867 0.340391 0.628013 0.372 Uiso 1 1 calc R U . . .
H73B H 0.806490 0.423508 0.615209 0.372 Uiso 1 1 calc R U . . .
H73C H 0.796129 0.333071 0.585981 0.372 Uiso 1 1 calc R U . . .
O14 O 0.2965(7) 0.2449(17) 0.5443(7) 0.314(11) Uani 1 1 d D U . . .
C76 C 0.3223(7) 0.1812(17) 0.5284(8) 0.210(10) Uani 1 1 d D U . . .
H76 H 0.332836 0.122112 0.539980 0.251 Uiso 1 1 calc R U . . .
O13 O 0.6765(6) 0.4737(16) 0.5911(6) 0.285(10) Uani 1 1 d 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 O6 2.353(5) 7_656 ?
Dy1 O3 2.286(4) . ?
Dy1 O4 2.338(4) 7_656 ?
Dy1 N2 2.608(5) . ?
Dy1 O2 2.399(5) . ?
Dy1 O1 2.457(5) . ?
Dy1 N1 2.538(5) . ?
Dy1 O5 2.291(5) . ?
Dy2 N6 2.615(5) . ?
Dy2 O9 2.303(5) . ?
Dy2 O10 2.335(4) 5_656 ?
Dy2 O7 2.435(5) . ?
Dy2 O12 2.380(5) 5_656 ?
Dy2 O8 2.421(5) . ?
Dy2 N5 2.546(5) . ?
Dy2 O11 2.313(5) . ?
O6 C29 1.252(8) . ?
O3 C22 1.246(7) . ?
N6 C41 1.356(7) . ?
N6 C45 1.347(7) . ?
O4 C22 1.267(7) . ?
O9 C57 1.258(8) . ?
O10 C57 1.259(8) . ?
O7 C50 1.250(8) . ?
O12 C64 1.253(8) . ?
O8 C50 1.274(8) . ?
N2 C9 1.359(7) . ?
N2 C12 1.334(8) . ?
O2 C15 1.275(9) . ?
O1 C15 1.256(9) . ?
N1 C5 1.348(7) . ?
N1 C1 1.339(8) . ?
O5 C29 1.260(7) . ?
N8 C47 1.354(8) . ?
N8 C49 1.306(9) . ?
N7 C46 1.369(8) . ?
N7 C48 1.329(9) . ?
N5 C40 1.348(8) . ?
N5 C36 1.335(8) . ?
C41 C42 1.408(8) . ?
C41 C40 1.452(8) . ?
O11 C64 1.262(8) . ?
C42 C47 1.456(8) . ?
C42 C43 1.384(9) . ?
C9 C5 1.456(8) . ?
C9 C8 1.406(8) . ?
C5 C4 1.405(8) . ?
N3 C6 1.345(8) . ?
N3 C13 1.319(9) . ?
C40 C39 1.410(8) . ?
C7 N4 1.367(8) . ?
C7 C8 1.454(8) . ?
C7 C6 1.406(9) . ?
N4 C14 1.325(9) . ?
C47 C46 1.392(9) . ?
C8 C10 1.400(9) . ?
C6 C4 1.444(8) . ?
C46 C39 1.459(9) . ?
C39 C38 1.387(9) . ?
C10 H10 0.9300 . ?
C10 C11 1.356(9) . ?
C43 H43 0.9300 . ?
C43 C44 1.381(9) . ?
C4 C3 1.390(9) . ?
C3 H3 0.9300 . ?
C3 C2 1.358(9) . ?
C29 C30 1.486(10) . ?
C1 H1 0.9300 . ?
C1 C2 1.397(9) . ?
C36 H36 0.9300 . ?
C36 C37 1.383(9) . ?
C45 H45 0.9300 . ?
C45 C44 1.390(9) . ?
C2 H2 0.9300 . ?
C38 H38 0.9300 . ?
C38 C37 1.347(10) . ?
C23 C22 1.484(9) . ?
C23 C28 1.365(10) . ?
C23 C24 1.392(10) . ?
C15 C16 1.507(10) . ?
C37 H37 0.9300 . ?
C50 C51 1.486(10) . ?
C64 C65 1.497(10) . ?
C51 C56 1.367(11) . ?
C51 C52 1.394(11) . ?
C44 H44 0.9300 . ?
C49 H49 0.9300 . ?
C49 C48 1.376(11) . ?
C48 H48 0.9300 . ?
C30 C35 1.377(9) . ?
C30 C31 1.388(10) . ?
C12 H12 0.9300 . ?
C12 C11 1.388(9) . ?
C57 C58 1.493(9) . ?
C28 H28 0.9300 . ?
C28 C27 1.393(12) . ?
C13 H13 0.9300 . ?
C13 C14 1.393(11) . ?
C11 H11 0.9300 . ?
C16 C21 1.372(11) . ?
C16 C17 1.369(12) . ?
C35 H35 0.9300 . ?
C35 C34 1.397(11) . ?
C58 C59 1.375(11) . ?
C58 C63 1.383(11) . ?
C14 H14 0.9300 . ?
C65 C66 1.392(11) . ?
C65 C70 1.394(12) . ?
C66 H66 0.9300 . ?
C66 C67 1.371(13) . ?
C24 H24 0.9300 . ?
C24 C25 1.381(11) . ?
C34 H34 0.9300 . ?
C34 C33 1.357(13) . ?
C56 H56 0.9300 . ?
C56 C55 1.407(12) . ?
C52 H52 0.9300 . ?
C52 C53 1.379(13) . ?
C59 H59 0.9300 . ?
C59 C60 1.386(13) . ?
C55 H55 0.9300 . ?
C55 C54 1.358(14) . ?
C25 H25 0.9300 . ?
C25 C26 1.360(14) . ?
C27 H27 0.9300 . ?
C27 C26 1.364(14) . ?
C21 H21 0.9300 . ?
C21 C20 1.378(14) . ?
C67 H67 0.9300 . ?
C67 C68 1.351(18) . ?
C17 H17 0.9300 . ?
C17 C18 1.377(13) . ?
C31 H31 0.9300 . ?
C31 C32 1.377(13) . ?
C63 H63 0.9300 . ?
C63 C62 1.380(14) . ?
C69 H69 0.9300 . ?
C69 C70 1.400(14) . ?
C69 C68 1.383(18) . ?
C70 H70 0.9300 . ?
C32 H32 0.9300 . ?
C32 C33 1.360(13) . ?
C26 H26 0.9300 . ?
C54 H54 0.9300 . ?
C54 C53 1.378(14) . ?
C68 H68 0.9300 . ?
C60 H60 0.9300 . ?
C60 C61 1.355(18) . ?
C33 H33 0.9300 . ?
C20 H20 0.9300 . ?
C20 C19 1.368(17) . ?
C62 H62 0.9300 . ?
C62 C61 1.372(18) . ?
C61 H61 0.9300 . ?
C18 H18 0.9300 . ?
C18 C19 1.386(17) . ?
C53 H53 0.9300 . ?
C19 H19 0.9300 . ?
N10 C75 1.446(17) . ?
N10 C74 1.392(18) . ?
N10 C76 1.34(2) . ?
C71 H71 0.9300 . ?
C71 N9 1.44(2) . ?
C71 O13 1.167(15) . ?
N9 C72 1.42(2) . ?
N9 C73 1.57(2) . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
O14 C76 1.289(16) . ?
C76 H76 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
O6 Dy1 N2 68.94(17) 7_656 . ?
O6 Dy1 O2 143.36(17) 7_656 . ?
O6 Dy1 O1 146.72(17) 7_656 . ?
O6 Dy1 N1 81.47(17) 7_656 . ?
O3 Dy1 O6 81.27(17) . 7_656 ?
O3 Dy1 O4 127.08(16) . 7_656 ?
O3 Dy1 N2 79.24(16) . . ?
O3 Dy1 O2 84.56(18) . . ?
O3 Dy1 O1 131.70(17) . . ?
O3 Dy1 N1 142.23(17) . . ?
O3 Dy1 O5 75.68(19) . . ?
O4 Dy1 O6 77.65(17) 7_656 7_656 ?
O4 Dy1 N2 133.51(16) 7_656 . ?
O4 Dy1 O2 136.11(18) 7_656 . ?
O4 Dy1 O1 83.02(18) 7_656 . ?
O4 Dy1 N1 80.98(15) 7_656 . ?
O2 Dy1 N2 75.31(17) . . ?
O2 Dy1 O1 53.91(18) . . ?
O2 Dy1 N1 89.69(17) . . ?
O1 Dy1 N2 108.10(17) . . ?
O1 Dy1 N1 68.84(17) . . ?
N1 Dy1 N2 63.23(16) . . ?
O5 Dy1 O6 126.11(18) . 7_656 ?
O5 Dy1 O4 78.83(18) . 7_656 ?
O5 Dy1 N2 147.43(18) . . ?
O5 Dy1 O2 81.90(18) . . ?
O5 Dy1 O1 75.08(18) . . ?
O5 Dy1 N1 140.35(19) . . ?
O9 Dy2 N6 75.19(16) . . ?
O9 Dy2 O10 132.12(17) . 5_656 ?
O9 Dy2 O7 130.87(18) . . ?
O9 Dy2 O12 88.39(19) . 5_656 ?
O9 Dy2 O8 88.33(18) . . ?
O9 Dy2 N5 138.34(16) . . ?
O9 Dy2 O11 72.07(17) . . ?
O10 Dy2 N6 134.17(16) 5_656 . ?
O10 Dy2 O7 77.30(17) 5_656 . ?
O10 Dy2 O12 77.12(18) 5_656 5_656 ?
O10 Dy2 O8 130.85(16) 5_656 . ?
O10 Dy2 N5 82.59(16) 5_656 . ?
O7 Dy2 N6 114.59(16) . . ?
O7 Dy2 N5 70.51(17) . . ?
O12 Dy2 N6 66.54(16) 5_656 . ?
O12 Dy2 O7 140.57(17) 5_656 . ?
O12 Dy2 O8 140.04(16) 5_656 . ?
O12 Dy2 N5 76.85(18) 5_656 . ?
O8 Dy2 N6 74.14(15) . . ?
O8 Dy2 O7 53.60(16) . . ?
O8 Dy2 N5 79.51(17) . . ?
N5 Dy2 N6 63.17(15) . . ?
O11 Dy2 N6 143.74(17) . . ?
O11 Dy2 O10 80.79(18) . 5_656 ?
O11 Dy2 O7 77.38(18) . . ?
O11 Dy2 O12 126.8(2) . 5_656 ?
O11 Dy2 O8 89.64(19) . . ?
O11 Dy2 N5 146.35(18) . . ?
C29 O6 Dy1 122.7(4) . 7_656 ?
C22 O3 Dy1 153.7(4) . . ?
C41 N6 Dy2 120.0(4) . . ?
C45 N6 Dy2 122.6(4) . . ?
C45 N6 C41 117.3(5) . . ?
C22 O4 Dy1 129.3(4) . 7_656 ?
C57 O9 Dy2 140.0(4) . . ?
C57 O10 Dy2 134.5(4) . 5_656 ?
C50 O7 Dy2 93.0(4) . . ?
C64 O12 Dy2 109.8(4) . 5_656 ?
C50 O8 Dy2 93.0(4) . . ?
C9 N2 Dy1 119.5(4) . . ?
C12 N2 Dy1 123.2(4) . . ?
C12 N2 C9 117.3(5) . . ?
C15 O2 Dy1 93.2(4) . . ?
C15 O1 Dy1 91.0(4) . . ?
C5 N1 Dy1 122.5(4) . . ?
C1 N1 Dy1 119.8(4) . . ?
C1 N1 C5 117.4(5) . . ?
C29 O5 Dy1 163.9(5) . . ?
C49 N8 C47 115.6(6) . . ?
C48 N7 C46 114.2(6) . . ?
C40 N5 Dy2 121.7(4) . . ?
C36 N5 Dy2 120.0(4) . . ?
C36 N5 C40 118.2(5) . . ?
N6 C41 C42 122.1(5) . . ?
N6 C41 C40 116.6(5) . . ?
C42 C41 C40 121.3(5) . . ?
C64 O11 Dy2 178.9(5) . . ?
C41 C42 C47 118.4(5) . . ?
C43 C42 C41 119.1(6) . . ?
C43 C42 C47 122.6(6) . . ?
N2 C9 C5 117.5(5) . . ?
N2 C9 C8 122.3(5) . . ?
C8 C9 C5 120.2(5) . . ?
N1 C5 C9 117.2(5) . . ?
N1 C5 C4 123.0(5) . . ?
C4 C5 C9 119.9(5) . . ?
C13 N3 C6 116.1(6) . . ?
N5 C40 C41 118.6(5) . . ?
N5 C40 C39 121.7(5) . . ?
C39 C40 C41 119.7(6) . . ?
N4 C7 C8 117.7(6) . . ?
N4 C7 C6 121.4(5) . . ?
C6 C7 C8 120.8(6) . . ?
C14 N4 C7 115.6(6) . . ?
N8 C47 C42 117.6(6) . . ?
N8 C47 C46 121.7(6) . . ?
C46 C47 C42 120.8(6) . . ?
C9 C8 C7 119.1(6) . . ?
C10 C8 C9 118.6(6) . . ?
C10 C8 C7 122.2(6) . . ?
N3 C6 C7 121.5(6) . . ?
N3 C6 C4 119.0(6) . . ?
C7 C6 C4 119.6(5) . . ?
N7 C46 C47 121.8(6) . . ?
N7 C46 C39 117.4(6) . . ?
C47 C46 C39 120.8(5) . . ?
C40 C39 C46 118.9(5) . . ?
C38 C39 C40 117.6(6) . . ?
C38 C39 C46 123.5(6) . . ?
C8 C10 H10 120.9 . . ?
C11 C10 C8 118.1(6) . . ?
C11 C10 H10 120.9 . . ?
C42 C43 H43 120.5 . . ?
C44 C43 C42 119.1(6) . . ?
C44 C43 H43 120.5 . . ?
C5 C4 C6 120.3(6) . . ?
C3 C4 C5 117.8(6) . . ?
C3 C4 C6 121.9(5) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 C4 119.7(6) . . ?
C2 C3 H3 120.2 . . ?
O6 C29 O5 123.2(7) . . ?
O6 C29 C30 119.1(6) . . ?
O5 C29 C30 117.7(6) . . ?
N1 C1 H1 118.6 . . ?
N1 C1 C2 122.8(6) . . ?
C2 C1 H1 118.6 . . ?
N5 C36 H36 118.5 . . ?
N5 C36 C37 123.1(6) . . ?
C37 C36 H36 118.5 . . ?
N6 C45 H45 118.2 . . ?
N6 C45 C44 123.6(6) . . ?
C44 C45 H45 118.2 . . ?
C3 C2 C1 119.3(6) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C39 C38 H38 119.7 . . ?
C37 C38 C39 120.6(6) . . ?
C37 C38 H38 119.7 . . ?
C28 C23 C22 121.4(7) . . ?
C28 C23 C24 119.5(7) . . ?
C24 C23 C22 119.2(6) . . ?
O3 C22 O4 123.6(6) . . ?
O3 C22 C23 118.6(6) . . ?
O4 C22 C23 117.8(6) . . ?
O2 C15 C16 118.7(7) . . ?
O1 C15 O2 120.9(7) . . ?
O1 C15 C16 120.2(7) . . ?
C36 C37 H37 120.6 . . ?
C38 C37 C36 118.8(6) . . ?
C38 C37 H37 120.6 . . ?
O7 C50 O8 120.3(7) . . ?
O7 C50 C51 119.9(6) . . ?
O8 C50 C51 119.8(6) . . ?
O12 C64 O11 122.3(7) . . ?
O12 C64 C65 118.7(6) . . ?
O11 C64 C65 118.9(7) . . ?
C56 C51 C50 121.7(7) . . ?
C56 C51 C52 118.5(8) . . ?
C52 C51 C50 119.7(7) . . ?
C43 C44 C45 118.8(6) . . ?
C43 C44 H44 120.6 . . ?
C45 C44 H44 120.6 . . ?
N8 C49 H49 118.4 . . ?
N8 C49 C48 123.3(7) . . ?
C48 C49 H49 118.4 . . ?
N7 C48 C49 123.4(7) . . ?
N7 C48 H48 118.3 . . ?
C49 C48 H48 118.3 . . ?
C35 C30 C29 120.4(6) . . ?
C35 C30 C31 118.5(7) . . ?
C31 C30 C29 121.0(6) . . ?
N2 C12 H12 118.5 . . ?
N2 C12 C11 123.0(6) . . ?
C11 C12 H12 118.5 . . ?
O9 C57 O10 125.9(6) . . ?
O9 C57 C58 116.9(6) . . ?
O10 C57 C58 117.2(6) . . ?
C23 C28 H28 119.9 . . ?
C23 C28 C27 120.2(9) . . ?
C27 C28 H28 119.9 . . ?
N3 C13 H13 118.4 . . ?
N3 C13 C14 123.1(6) . . ?
C14 C13 H13 118.4 . . ?
C10 C11 C12 120.6(6) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C21 C16 C15 120.8(8) . . ?
C17 C16 C15 119.6(8) . . ?
C17 C16 C21 119.6(8) . . ?
C30 C35 H35 120.1 . . ?
C30 C35 C34 119.8(7) . . ?
C34 C35 H35 120.1 . . ?
C59 C58 C57 121.3(7) . . ?
C59 C58 C63 118.4(8) . . ?
C63 C58 C57 120.3(7) . . ?
N4 C14 C13 122.2(7) . . ?
N4 C14 H14 118.9 . . ?
C13 C14 H14 118.9 . . ?
C66 C65 C64 118.6(7) . . ?
C66 C65 C70 120.9(8) . . ?
C70 C65 C64 120.5(8) . . ?
C65 C66 H66 120.5 . . ?
C67 C66 C65 119.0(10) . . ?
C67 C66 H66 120.5 . . ?
C23 C24 H24 120.1 . . ?
C25 C24 C23 119.9(8) . . ?
C25 C24 H24 120.1 . . ?
C35 C34 H34 119.6 . . ?
C33 C34 C35 120.7(8) . . ?
C33 C34 H34 119.6 . . ?
C51 C56 H56 119.8 . . ?
C51 C56 C55 120.4(8) . . ?
C55 C56 H56 119.8 . . ?
C51 C52 H52 119.3 . . ?
C53 C52 C51 121.3(9) . . ?
C53 C52 H52 119.3 . . ?
C58 C59 H59 118.9 . . ?
C58 C59 C60 122.1(10) . . ?
C60 C59 H59 118.9 . . ?
C56 C55 H55 120.1 . . ?
C54 C55 C56 119.7(9) . . ?
C54 C55 H55 120.1 . . ?
C24 C25 H25 120.1 . . ?
C26 C25 C24 119.9(9) . . ?
C26 C25 H25 120.1 . . ?
C28 C27 H27 120.2 . . ?
C26 C27 C28 119.5(9) . . ?
C26 C27 H27 120.2 . . ?
C16 C21 H21 119.9 . . ?
C16 C21 C20 120.3(10) . . ?
C20 C21 H21 119.9 . . ?
C66 C67 H67 119.2 . . ?
C68 C67 C66 121.7(12) . . ?
C68 C67 H67 119.2 . . ?
C16 C17 H17 119.6 . . ?
C16 C17 C18 120.7(10) . . ?
C18 C17 H17 119.6 . . ?
C30 C31 H31 119.7 . . ?
C32 C31 C30 120.5(8) . . ?
C32 C31 H31 119.7 . . ?
C58 C63 H63 119.8 . . ?
C62 C63 C58 120.4(10) . . ?
C62 C63 H63 119.8 . . ?
C70 C69 H69 119.5 . . ?
C68 C69 H69 119.5 . . ?
C68 C69 C70 120.9(12) . . ?
C65 C70 C69 117.5(11) . . ?
C65 C70 H70 121.2 . . ?
C69 C70 H70 121.2 . . ?
C31 C32 H32 119.7 . . ?
C33 C32 C31 120.6(9) . . ?
C33 C32 H32 119.7 . . ?
C25 C26 C27 121.0(9) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C55 C54 H54 119.5 . . ?
C55 C54 C53 120.9(10) . . ?
C53 C54 H54 119.5 . . ?
C67 C68 C69 119.7(12) . . ?
C67 C68 H68 120.1 . . ?
C69 C68 H68 120.1 . . ?
C59 C60 H60 121.2 . . ?
C61 C60 C59 117.6(12) . . ?
C61 C60 H60 121.2 . . ?
C34 C33 C32 119.7(9) . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
C21 C20 H20 120.0 . . ?
C19 C20 C21 120.0(12) . . ?
C19 C20 H20 120.0 . . ?
C63 C62 H62 120.5 . . ?
C61 C62 C63 119.0(12) . . ?
C61 C62 H62 120.5 . . ?
C60 C61 C62 122.5(12) . . ?
C60 C61 H61 118.8 . . ?
C62 C61 H61 118.8 . . ?
C17 C18 H18 120.4 . . ?
C17 C18 C19 119.3(12) . . ?
C19 C18 H18 120.4 . . ?
C52 C53 H53 120.5 . . ?
C54 C53 C52 118.9(10) . . ?
C54 C53 H53 120.5 . . ?
C20 C19 C18 120.0(11) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C74 N10 C75 118.0(14) . . ?
C76 N10 C75 111.2(16) . . ?
C76 N10 C74 130.5(18) . . ?
N9 C71 H71 120.9 . . ?
O13 C71 H71 120.9 . . ?
O13 C71 N9 118(2) . . ?
C71 N9 C73 115(2) . . ?
C72 N9 C71 128.3(19) . . ?
C72 N9 C73 117.1(16) . . ?
N10 C75 H75A 109.5 . . ?
N10 C75 H75B 109.5 . . ?
N10 C75 H75C 109.5 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
N10 C74 H74A 109.5 . . ?
N10 C74 H74B 109.5 . . ?
N10 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
N9 C72 H72A 109.5 . . ?
N9 C72 H72B 109.5 . . ?
N9 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
N9 C73 H73A 109.5 . . ?
N9 C73 H73B 109.5 . . ?
N9 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
N10 C76 H76 127.4 . . ?
O14 C76 N10 105(2) . . ?
O14 C76 H76 127.4 . . ?

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 O6 C29 O5 24.6(10) 7_656 . . . ?
Dy1 O6 C29 C30 -155.3(5) 7_656 . . . ?
Dy1 O3 C22 O4 -44.2(14) . . . . ?
Dy1 O3 C22 C23 133.7(9) . . . . ?
Dy1 O4 C22 O3 13.0(10) 7_656 . . . ?
Dy1 O4 C22 C23 -164.9(5) 7_656 . . . ?
Dy1 N2 C9 C5 1.3(7) . . . . ?
Dy1 N2 C9 C8 179.9(4) . . . . ?
Dy1 N2 C12 C11 179.6(5) . . . . ?
Dy1 O2 C15 O1 10.3(6) . . . . ?
Dy1 O2 C15 C16 -165.7(5) . . . . ?
Dy1 O1 C15 O2 -10.1(6) . . . . ?
Dy1 O1 C15 C16 165.9(5) . . . . ?
Dy1 N1 C5 C9 -3.8(7) . . . . ?
Dy1 N1 C5 C4 176.2(4) . . . . ?
Dy1 N1 C1 C2 -175.1(5) . . . . ?
Dy1 O5 C29 O6 -15(2) . . . . ?
Dy1 O5 C29 C30 165.1(15) . . . . ?
Dy2 N6 C41 C42 178.9(4) . . . . ?
Dy2 N6 C41 C40 -1.9(7) . . . . ?
Dy2 N6 C45 C44 -178.3(5) . . . . ?
Dy2 O9 C57 O10 -40.7(12) . . . . ?
Dy2 O9 C57 C58 138.2(6) . . . . ?
Dy2 O10 C57 O9 19.2(12) 5_656 . . . ?
Dy2 O10 C57 C58 -159.8(5) 5_656 . . . ?
Dy2 O7 C50 O8 -2.7(7) . . . . ?
Dy2 O7 C50 C51 176.3(6) . . . . ?
Dy2 O12 C64 O11 8.1(8) 5_656 . . . ?
Dy2 O12 C64 C65 -168.2(5) 5_656 . . . ?
Dy2 O8 C50 O7 2.7(7) . . . . ?
Dy2 O8 C50 C51 -176.3(6) . . . . ?
Dy2 N5 C40 C41 -1.0(7) . . . . ?
Dy2 N5 C40 C39 177.9(4) . . . . ?
Dy2 N5 C36 C37 -177.2(6) . . . . ?
O6 C29 C30 C35 1.3(10) . . . . ?
O6 C29 C30 C31 179.9(8) . . . . ?
N6 C41 C42 C47 177.5(5) . . . . ?
N6 C41 C42 C43 -1.5(9) . . . . ?
N6 C41 C40 N5 1.8(8) . . . . ?
N6 C41 C40 C39 -177.1(5) . . . . ?
N6 C45 C44 C43 0.5(11) . . . . ?
O9 C57 C58 C59 158.9(7) . . . . ?
O9 C57 C58 C63 -20.2(11) . . . . ?
O10 C57 C58 C59 -22.1(11) . . . . ?
O10 C57 C58 C63 158.9(8) . . . . ?
O7 C50 C51 C56 -179.7(7) . . . . ?
O7 C50 C51 C52 -2.9(11) . . . . ?
O12 C64 C65 C66 23.0(10) . . . . ?
O12 C64 C65 C70 -157.0(7) . . . . ?
O8 C50 C51 C56 -0.8(11) . . . . ?
O8 C50 C51 C52 176.0(7) . . . . ?
N2 C9 C5 N1 1.5(8) . . . . ?
N2 C9 C5 C4 -178.5(5) . . . . ?
N2 C9 C8 C7 177.7(6) . . . . ?
N2 C9 C8 C10 1.2(9) . . . . ?
N2 C12 C11 C10 -0.2(12) . . . . ?
O2 C15 C16 C21 8.1(10) . . . . ?
O2 C15 C16 C17 -174.2(7) . . . . ?
O1 C15 C16 C21 -168.0(7) . . . . ?
O1 C15 C16 C17 9.7(10) . . . . ?
N1 C5 C4 C6 179.6(5) . . . . ?
N1 C5 C4 C3 -1.5(9) . . . . ?
N1 C1 C2 C3 -1.0(11) . . . . ?
O5 C29 C30 C35 -178.6(7) . . . . ?
O5 C29 C30 C31 0.0(11) . . . . ?
N8 C47 C46 N7 -1.2(9) . . . . ?
N8 C47 C46 C39 178.7(6) . . . . ?
N8 C49 C48 N7 -0.2(12) . . . . ?
N7 C46 C39 C40 -179.0(6) . . . . ?
N7 C46 C39 C38 0.8(9) . . . . ?
N5 C40 C39 C46 179.3(6) . . . . ?
N5 C40 C39 C38 -0.5(9) . . . . ?
N5 C36 C37 C38 -0.9(12) . . . . ?
C41 N6 C45 C44 -2.8(10) . . . . ?
C41 C42 C47 N8 -178.4(5) . . . . ?
C41 C42 C47 C46 0.9(9) . . . . ?
C41 C42 C43 C44 -0.9(10) . . . . ?
C41 C40 C39 C46 -1.8(9) . . . . ?
C41 C40 C39 C38 178.4(6) . . . . ?
O11 C64 C65 C66 -153.4(7) . . . . ?
O11 C64 C65 C70 26.6(10) . . . . ?
C42 C41 C40 N5 -178.9(6) . . . . ?
C42 C41 C40 C39 2.2(9) . . . . ?
C42 C47 C46 N7 179.5(6) . . . . ?
C42 C47 C46 C39 -0.6(9) . . . . ?
C42 C43 C44 C45 1.4(11) . . . . ?
C9 N2 C12 C11 -0.6(10) . . . . ?
C9 C5 C4 C6 -0.4(9) . . . . ?
C9 C5 C4 C3 178.5(6) . . . . ?
C9 C8 C10 C11 -1.9(10) . . . . ?
C5 N1 C1 C2 -0.2(10) . . . . ?
C5 C9 C8 C7 -3.8(9) . . . . ?
C5 C9 C8 C10 179.7(6) . . . . ?
C5 C4 C3 C2 0.2(9) . . . . ?
N3 C6 C4 C5 179.3(6) . . . . ?
N3 C6 C4 C3 0.4(9) . . . . ?
N3 C13 C14 N4 -0.2(12) . . . . ?
C40 N5 C36 C37 0.3(10) . . . . ?
C40 C41 C42 C47 -1.7(9) . . . . ?
C40 C41 C42 C43 179.3(6) . . . . ?
C40 C39 C38 C37 -0.1(10) . . . . ?
C7 N4 C14 C13 0.1(10) . . . . ?
C7 C8 C10 C11 -178.3(7) . . . . ?
C7 C6 C4 C5 -1.1(9) . . . . ?
C7 C6 C4 C3 180.0(6) . . . . ?
N4 C7 C8 C9 -179.3(5) . . . . ?
N4 C7 C8 C10 -2.9(9) . . . . ?
N4 C7 C6 N3 1.4(9) . . . . ?
N4 C7 C6 C4 -178.2(6) . . . . ?
C47 N8 C49 C48 -0.7(10) . . . . ?
C47 C42 C43 C44 -179.9(6) . . . . ?
C47 C46 C39 C40 1.0(9) . . . . ?
C47 C46 C39 C38 -179.1(6) . . . . ?
C8 C9 C5 N1 -177.1(5) . . . . ?
C8 C9 C5 C4 2.9(8) . . . . ?
C8 C7 N4 C14 -179.2(6) . . . . ?
C8 C7 C6 N3 179.8(6) . . . . ?
C8 C7 C6 C4 0.2(9) . . . . ?
C8 C10 C11 C12 1.5(11) . . . . ?
C6 N3 C13 C14 0.7(10) . . . . ?
C6 C7 N4 C14 -0.7(9) . . . . ?
C6 C7 C8 C9 2.2(9) . . . . ?
C6 C7 C8 C10 178.6(6) . . . . ?
C6 C4 C3 C2 179.1(6) . . . . ?
C46 N7 C48 C49 0.4(10) . . . . ?
C46 C39 C38 C37 -179.9(7) . . . . ?
C39 C38 C37 C36 0.8(11) . . . . ?
C43 C42 C47 N8 0.6(9) . . . . ?
C43 C42 C47 C46 179.9(6) . . . . ?
C4 C3 C2 C1 1.0(11) . . . . ?
C29 C30 C35 C34 -179.7(7) . . . . ?
C29 C30 C31 C32 -179.3(10) . . . . ?
C1 N1 C5 C9 -178.6(6) . . . . ?
C1 N1 C5 C4 1.4(9) . . . . ?
C36 N5 C40 C41 -178.5(6) . . . . ?
C36 N5 C40 C39 0.4(9) . . . . ?
C45 N6 C41 C42 3.3(9) . . . . ?
C45 N6 C41 C40 -177.5(6) . . . . ?
C23 C28 C27 C26 -0.5(15) . . . . ?
C23 C24 C25 C26 1.4(16) . . . . ?
C22 C23 C28 C27 -179.7(8) . . . . ?
C22 C23 C24 C25 179.3(8) . . . . ?
C15 C16 C21 C20 176.2(8) . . . . ?
C15 C16 C17 C18 -176.7(8) . . . . ?
C50 C51 C56 C55 174.9(7) . . . . ?
C50 C51 C52 C53 -173.0(9) . . . . ?
C64 C65 C66 C67 175.6(7) . . . . ?
C64 C65 C70 C69 -176.1(8) . . . . ?
C51 C56 C55 C54 0.6(14) . . . . ?
C51 C52 C53 C54 -4.5(17) . . . . ?
C49 N8 C47 C42 -179.3(6) . . . . ?
C49 N8 C47 C46 1.4(9) . . . . ?
C48 N7 C46 C47 0.3(9) . . . . ?
C48 N7 C46 C39 -179.7(6) . . . . ?
C30 C35 C34 C33 -1.4(14) . . . . ?
C30 C31 C32 C33 -0.5(19) . . . . ?
C12 N2 C9 C5 -178.5(6) . . . . ?
C12 N2 C9 C8 0.1(9) . . . . ?
C57 C58 C59 C60 -177.8(9) . . . . ?
C57 C58 C63 C62 179.1(10) . . . . ?
C28 C23 C22 O3 156.5(7) . . . . ?
C28 C23 C22 O4 -25.5(10) . . . . ?
C28 C23 C24 C25 -0.4(13) . . . . ?
C28 C27 C26 C25 1.6(18) . . . . ?
C13 N3 C6 C7 -1.3(9) . . . . ?
C13 N3 C6 C4 178.3(6) . . . . ?
C16 C21 C20 C19 0.2(16) . . . . ?
C16 C17 C18 C19 0.6(15) . . . . ?
C35 C30 C31 C32 -0.7(15) . . . . ?
C35 C34 C33 C32 0.2(17) . . . . ?
C58 C59 C60 C61 -1.6(19) . . . . ?
C58 C63 C62 C61 -1(2) . . . . ?
C65 C66 C67 C68 0.9(15) . . . . ?
C66 C65 C70 C69 3.9(13) . . . . ?
C66 C67 C68 C69 2.9(18) . . . . ?
C24 C23 C22 O3 -23.1(10) . . . . ?
C24 C23 C22 O4 154.8(7) . . . . ?
C24 C23 C28 C27 -0.1(12) . . . . ?
C24 C25 C26 C27 -2.1(18) . . . . ?
C56 C51 C52 C53 3.9(14) . . . . ?
C56 C55 C54 C53 -1.2(16) . . . . ?
C52 C51 C56 C55 -1.9(12) . . . . ?
C59 C58 C63 C62 0.0(15) . . . . ?
C59 C60 C61 C62 1(2) . . . . ?
C55 C54 C53 C52 3.2(17) . . . . ?
C21 C16 C17 C18 1.0(13) . . . . ?
C21 C20 C19 C18 1.4(17) . . . . ?
C17 C16 C21 C20 -1.5(13) . . . . ?
C17 C18 C19 C20 -1.8(17) . . . . ?
C31 C30 C35 C34 1.6(12) . . . . ?
C31 C32 C33 C34 0.7(19) . . . . ?
C63 C58 C59 C60 1.3(14) . . . . ?
C63 C62 C61 C60 0(2) . . . . ?
C70 C65 C66 C67 -4.3(12) . . . . ?
C70 C69 C68 C67 -3.4(19) . . . . ?
C68 C69 C70 C65 0.0(16) . . . . ?
C75 N10 C76 O14 176.3(17) . . . . ?
C74 N10 C76 O14 3(3) . . . . ?
O13 C71 N9 C72 -2(3) . . . . ?
O13 C71 N9 C73 178(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 2.007
_oxdiff_exptl_absorpt_empirical_full_min 0.562
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
####################################################################### 
# 
# 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_a
_audit_block_doi                 10.5517/ccdc.csd.cc2px0wj
_database_code_depnum_ccdc_archive 'CCDC 2499588'
loop_
_audit_author_name
_audit_author_address
LIUCHENYANG
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2025-11-01 deposited with the CCDC.	2026-02-10 downloaded from the CCDC.
;
_audit_creation_date             2025-10-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C17.109 H16 Dy F4.664 N4 O7.555), 8(C14 H8 N4), 4(H2 O), C2 H F3 O2, C2 F3 O2, O, 0.891(C O), 2.672(F)'
_chemical_formula_sum            'C152 H104 Dy2 F18 N40 O25'
_chemical_formula_weight         3557.75
_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'
F F 0.0171 0.0103 '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                   14.9545(3)
_cell_length_b                   16.3086(5)
_cell_length_c                   17.4443(5)
_cell_angle_alpha                64.113(3)
_cell_angle_beta                 79.651(2)
_cell_angle_gamma                84.287(2)
_cell_volume                     3764.2(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    8600
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      29.3756
_cell_measurement_theta_min      2.1130
_shelx_estimated_absorpt_T_max   0.889
_shelx_estimated_absorpt_T_min   0.871
_exptl_absorpt_coefficient_mu    1.093
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1790
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0648
_diffrn_reflns_av_unetI/netI     0.0570
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            52526
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         1.937
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10557
_reflns_number_total             13273
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    
;
Superflip  (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         1.411
_refine_diff_density_min         -1.177
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1188
_refine_ls_number_reflns         13273
_refine_ls_number_restraints     333
_refine_ls_R_factor_all          0.0725
_refine_ls_R_factor_gt           0.0557
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0984P)²+2.1720P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1478
_refine_ls_wR_factor_ref         0.1577
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Restrained distances
 C2-C1
 1.548 with sigma of 0.011
 O5-C1
 1.255 with sigma of 0.01
 O8-C1
 1.225 with sigma of 0.01
 O13-H13B = O13-H13A
 0.85 with sigma of 0.002
 H13B-H13A
 1.34 with sigma of 0.002
 C01L-C01H
 1.32 with sigma of 0.01
 O12-C5
 1.255 with sigma of 0.01
 O11-C5
 1.225 with sigma of 0.01
 C6-C5
 1.548 with sigma of 0.011
 F9-C6 = F7-C6 = F8-C6
 1.32 with sigma of 0.01
 O9-C7
 1.225 with sigma of 0.01
 F10-C8 = F12-C8 = F11-C8
 1.32 with sigma of 0.01
 O10-C7
 1.255 with sigma of 0.01
 C8-C7
 1.548 with sigma of 0.011
 F12-C7
 2.282 with sigma of 0.01
 C7-F10
 2.282 with sigma of 0.01
 F11-C7
 2.282 with sigma of 0.01
 F4-F5 \\sim F5-F6 \\sim F6-F4
 with sigma of 0.02
 F7-F8 \\sim F8-F9 \\sim F9-F7
 with sigma of 0.02
 F10-F11 \\sim F11-F12 \\sim F12-F10
 with sigma of 0.02
 Dy1-H3A \\sim Dy1-H3B
 with sigma of 0.02
 Dy1-H2A \\sim Dy1-H2B
 with sigma of 0.02
 F10-C7 \\sim C7-F12
 with sigma of 0.02
 F12-C7 \\sim C7-F11
 with sigma of 0.02
 F11-C7 \\sim C7-F10
 with sigma of 0.02
 C2-F3A \\sim C2-F3B
 with sigma of 0.02
 F2B-F1B \\sim F2C-F1C
 with sigma of 0.02
 C2-F2B \\sim C2-F2C
 with sigma of 0.04
 C2-F1B \\sim C2-F1C
 with sigma of 0.04
 O6-C4A \\sim O6-C4B
 with sigma of 0.02
 O7-C4A \\sim O7A-C4B
 with sigma of 0.02
 O6-O7 \\sim O6-O7A
 with sigma of 0.04
 F4-F5 \\sim F4A-F5A
 with sigma of 0.04
 F4-F6 \\sim F4A-F6A
 with sigma of 0.04
 F4-C4A \\sim F4A-C4B
 with sigma of 0.04
 F5-F6 \\sim F5A-F6A
 with sigma of 0.04
 F5-C4A \\sim F5A-C4B
 with sigma of 0.04
 F6-C4A \\sim F6A-C4B
 with sigma of 0.04
3. Restrained planarity
 O5, C1, O8, C2
 with sigma of 0.1
 O9, C7, O10, C8
 with sigma of 0.1
4. Rigid bond restraints
 F2C, C2
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C2, F3B
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
5. Uiso/Uaniso restraints and constraints
O6 \\sim O7 \\sim F4 \\sim C4 \\sim F5 \\sim F6: within 3A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 3A
O6 \\sim O7 \\sim F3A \\sim C4A \\sim F6 \\sim C4 \\sim F4 \\sim F5: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C1 \\sim C2 \\sim F3A: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
O12 \\sim C5 \\sim C6 \\sim F7 \\sim F9 \\sim F8: within 3A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 3A
O9 \\sim C7 \\sim O10: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
C1 \\sim C2: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 2A
F10 \\sim F11: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C2 \\sim F2B \\sim F1B \\sim F3A: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
Uanis(O15) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O12) \\sim Ueq, Uanis(O11) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C6)
\\sim Ueq, Uanis(F8) \\sim Ueq, Uanis(F9) \\sim Ueq, Uanis(F7) \\sim Ueq: with
sigma of 0.01 and sigma for terminal atoms of 0.02
6. Rigid body (RIGU) restrains
 F1B, F2B, C2, C1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C2, H14B, F3A, C1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
7. Others
 Sof(F3B)=Sof(F2C)=Sof(F1C)=1-FVAR(1)
 Sof(F3A)=Sof(F2B)=Sof(F1B)=FVAR(1)
 Sof(C4B)=Sof(O7A)=Sof(F6A)=Sof(F4A)=Sof(F5A)=1-FVAR(2)
 Sof(O7)=Sof(C4)=Sof(F4)=Sof(F5)=Sof(F6)=Sof(C4A)=FVAR(2)
 Fixed Sof: O12(0.5) H12(0.5) O11(0.5) F7(0.5) C5(0.5) F8(0.5) C6(0.5) F9(0.5)
 O9(0.5) C7(0.5) O10(0.5) F10(0.5) F11(0.5) C8(0.5) F12(0.5) O15(0.5)
 Fixed X: O7(0.476093)
 Fixed Y: O7(0.627316)
 Fixed Z: O7(0.223487)
8.a Riding coordinates:
 O1(H1A,H1B), O14(H14A,H14B), O13(H13A,H13B)
8.b Free rotating group:
 O3(H3A,H3B), O2(H2A,H2B)
8.c Rotating group:
 O4(H4A,H4B)
8.d Aromatic/amide H refined with riding coordinates:
 C011(H011), C017(H017), C01B(H01B), C01J(H01J), C01P(H01P), C01Q(H01Q),
 C01U(H01U), C01V(H01V), C01W(H01W), C01X(H01X), C01Y(H01Y), C020(H020),
 C021(H021), C022(H022), C023(H023), C024(H024), C025(H025), C026(H026),
 C027(H027), C028(H028), C029(H029), C02A(H02A), C02B(H02B), C02C(H02C),
 C02D(H02D), C02E(H02E), C02F(H02F), C02G(H02G), C02H(H02H), C02I(H02I),
 C02J(H02J), C02K(H02K), C02L(H02L), C02M(H02M), C02N(H02N), C02P(H02P),
 C02Q(H02Q), C02R(H02R), C02S(H02S), C02U(H02U)
8.e Tetrahedral OH refined with riding coordinates:
 O12(H12)
;
_atom_sites_solution_hydrogens   mixed
_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 0.48795(2) 0.35706(2) 0.28303(2) 0.04290(11) Uani 1 1 d D . . . .
O3 O 0.5368(3) 0.2592(3) 0.2197(3) 0.0543(10) Uani 1 1 d G . . . .
H3A H 0.525536 0.202853 0.239805 0.081 Uiso 1 1 d DG U . . .
H3B H 0.575031 0.269522 0.174244 0.081 Uiso 1 1 d DG U . . .
O4 O 0.4572(3) 0.2046(3) 0.3940(3) 0.0588(10) Uani 1 1 d . . . . .
H4A H 0.400923 0.201379 0.420153 0.088 Uiso 1 1 d R U . . .
H4B H 0.479743 0.233832 0.417616 0.088 Uiso 1 1 d R U . . .
O2 O 0.6110(3) 0.4220(3) 0.1724(3) 0.0619(11) Uani 1 1 d G . . . .
H2A H 0.619798 0.478477 0.141418 0.093 Uiso 1 1 d DG U . . .
H2B H 0.661149 0.396048 0.162867 0.093 Uiso 1 1 d DG U . . .
O6 O 0.5128(3) 0.4867(3) 0.2992(3) 0.0678(11) Uani 1 1 d . U . A 1
O7 O 0.476093 0.627316 0.223487 0.150(5) Uani 0.555(9) 1 d D U P A 1
C4 C 0.5509(9) 0.6142(9) 0.3128(10) 0.067(3) Uani 0.555(9) 1 d . U P A 1
F4 F 0.5234(8) 0.5692(7) 0.4020(6) 0.117(3) Uani 0.555(9) 1 d D U P A 1
F5 F 0.5095(10) 0.6879(9) 0.2942(9) 0.156(4) Uani 0.555(9) 1 d D U P A 1
F6 F 0.6326(6) 0.6266(8) 0.3096(8) 0.122(4) Uani 0.555(9) 1 d D U P A 1
N1 N 0.3507(3) 0.3750(3) 0.3850(3) 0.0420(10) Uani 1 1 d . . . . .
O1 O 0.4274(3) 0.4785(3) 0.1673(3) 0.0710(13) Uani 1 1 d . . . . .
H1A H 0.387043 0.467519 0.144646 0.107 Uiso 1 1 d R U . . .
H1B H 0.402084 0.516971 0.185558 0.107 Uiso 1 1 d R U . . .
N2 N 0.3357(3) 0.3102(3) 0.2679(3) 0.0416(10) Uani 1 1 d . . . . .
N13 N 0.2375(3) 0.6796(3) -0.1415(3) 0.0462(11) Uani 1 1 d . . . . .
N10 N 0.2597(3) 0.5700(4) 0.2359(3) 0.0591(13) Uani 1 1 d . . . . .
N9 N 0.2489(3) 0.5082(3) 0.1159(3) 0.0549(12) Uani 1 1 d . . . . .
O5 O 0.5902(3) 0.3106(3) 0.3775(3) 0.0763(14) Uani 1 1 d D . . . .
N5 N 0.2929(4) 0.1077(3) 0.4569(3) 0.0527(12) Uani 1 1 d . . . . .
N6 N 0.3273(4) 0.1520(4) 0.5828(3) 0.0631(14) Uani 1 1 d . . . . .
N3 N 0.0086(3) 0.3171(4) 0.3373(3) 0.0563(13) Uani 1 1 d . . . . .
N14 N 0.3588(4) 0.7223(4) -0.0651(3) 0.0626(14) Uani 1 1 d . . . . .
C00I C 0.1879(3) 0.3717(4) 0.4301(3) 0.0398(11) Uani 1 1 d . . . . .
N15 N -0.0122(4) 0.7625(3) 0.0296(3) 0.0603(13) Uani 1 1 d . . . . .
C00K C 0.2663(3) 0.3582(3) 0.3776(3) 0.0390(11) Uani 1 1 d . . . . .
N17 N 0.6870(4) 0.0374(4) 0.1840(3) 0.0636(14) Uani 1 1 d . . . . .
N11 N -0.0789(4) 0.5338(4) 0.1661(4) 0.0653(14) Uani 1 1 d . . . . .
N4 N 0.0244(3) 0.3765(4) 0.4640(3) 0.0577(13) Uani 1 1 d . . . . .
N19 N 1.0303(4) 0.0831(4) 0.2377(3) 0.0642(14) Uani 1 1 d . . . . .
C00P C 0.2578(3) 0.3255(3) 0.3141(3) 0.0382(11) Uani 1 1 d . . . . .
C00Q C 0.0911(3) 0.3284(4) 0.3536(3) 0.0432(12) Uani 1 1 d . . . . .
N7 N -0.0298(4) 0.1181(4) 0.5511(4) 0.0684(15) Uani 1 1 d . . . . .
C00S C 0.2045(4) 0.7108(3) -0.0813(3) 0.0450(12) Uani 1 1 d . . . . .
N18 N 0.7038(4) 0.0884(4) 0.3098(4) 0.0668(15) Uani 1 1 d . . . . .
C00U C 0.1103(4) 0.7226(3) -0.0581(3) 0.0434(12) Uani 1 1 d . . . . .
C00V C 0.0850(4) 0.5206(4) 0.1377(3) 0.0457(12) Uani 1 1 d . . . . .
N20 N 1.0123(4) 0.0223(4) 0.1130(3) 0.0611(13) Uani 1 1 d . . . . .
C00X C 0.1699(4) 0.5289(4) 0.1565(3) 0.0462(13) Uani 1 1 d . . . . .
C00Y C 0.1718(4) 0.3092(4) 0.3027(3) 0.0421(12) Uani 1 1 d . . . . .
N16 N 0.1117(5) 0.7996(4) 0.1132(3) 0.0677(15) Uani 1 1 d . . . . .
C010 C 0.2692(4) 0.7307(4) -0.0385(3) 0.0476(13) Uani 1 1 d . . . . .
C011 C 0.1994(4) 0.3998(4) 0.4931(3) 0.0508(14) Uani 1 1 d . . . . .
H011 H 0.149331 0.408676 0.529159 0.061 Uiso 1 1 calc R U . . .
C012 C 0.0982(3) 0.3575(4) 0.4158(3) 0.0436(12) Uani 1 1 d . . . . .
C013 C 0.0027(4) 0.5426(4) 0.1853(4) 0.0486(13) Uani 1 1 d . . . . .
N12 N -0.0670(4) 0.5924(4) 0.2940(4) 0.0674(15) Uani 1 1 d . . . . .
C016 C 0.1757(4) 0.5601(4) 0.2217(4) 0.0460(13) Uani 1 1 d . . . . .
C017 C 0.3591(4) 0.4014(4) 0.4446(4) 0.0522(14) Uani 1 1 d . . . . .
H017 H 0.417053 0.412432 0.449812 0.063 Uiso 1 1 calc R U . . .
N8 N 0.0045(4) 0.1721(4) 0.6761(4) 0.0709(16) Uani 1 1 d . . . . .
C019 C 0.0964(4) 0.5815(4) 0.2671(4) 0.0486(13) Uani 1 1 d . . . . .
C01A C 0.2212(4) 0.1201(4) 0.5110(3) 0.0477(13) Uani 1 1 d . . . . .
C01B C 0.2847(4) 0.4137(5) 0.5006(4) 0.0545(15) Uani 1 1 d . . . . .
H01B H 0.293786 0.431294 0.542591 0.065 Uiso 1 1 calc R U . . .
C01C C 0.0787(4) 0.7529(4) 0.0089(3) 0.0485(13) Uani 1 1 d . . . . .
C01D C 0.8495(4) 0.0287(4) 0.1463(4) 0.0518(14) Uani 1 1 d . . . . .
C01E C 0.7720(4) 0.0458(4) 0.1957(4) 0.0529(14) Uani 1 1 d . . . . .
C01F C 0.0564(4) 0.1272(4) 0.5608(4) 0.0505(14) Uani 1 1 d . . . . .
C01G C 0.9473(4) 0.0702(4) 0.2235(4) 0.0526(14) Uani 1 1 d . . . . .
C01H C 0.2344(4) 0.7592(4) 0.0271(3) 0.0548(15) Uani 1 1 d D . . . .
C01I C 0.8666(5) 0.0870(4) 0.2762(4) 0.0531(14) Uani 1 1 d . . . . .
C01J C 0.0500(4) 0.7046(4) -0.1023(4) 0.0537(14) Uani 1 1 d . . . . .
H01J H -0.012431 0.711936 -0.088786 0.064 Uiso 1 1 calc R U . . .
C01K C 0.2388(4) 0.1468(4) 0.5758(3) 0.0484(13) Uani 1 1 d . . . . .
C01L C 0.1417(4) 0.7704(4) 0.0506(3) 0.0510(14) Uani 1 1 d D . . . .
C01M C 0.9386(4) 0.0408(4) 0.1611(3) 0.0494(13) Uani 1 1 d . . . . .
C01N C 0.0085(4) 0.5717(4) 0.2491(4) 0.0516(14) Uani 1 1 d . . . . .
C01O C 0.1308(4) 0.1081(4) 0.5051(3) 0.0477(13) Uani 1 1 d . . . . .
C01P C 0.0822(5) 0.4915(4) 0.0749(4) 0.0550(15) Uani 1 1 d . . . . .
H01P H 0.026595 0.485004 0.061548 0.066 Uiso 1 1 calc R U . . .
C01Q C 0.1782(4) 0.6644(4) -0.1818(4) 0.0515(14) Uani 1 1 d . . . . .
H01Q H 0.200831 0.644411 -0.224110 0.062 Uiso 1 1 calc R U . . .
C01R C 0.7807(5) 0.0743(4) 0.2628(4) 0.0537(14) Uani 1 1 d . . . . .
C01S C 0.0733(4) 0.1549(4) 0.6217(4) 0.0536(14) Uani 1 1 d . . . . .
C01T C 0.1666(4) 0.1645(4) 0.6298(3) 0.0508(14) Uani 1 1 d . . . . .
C01U C 0.1676(4) 0.2764(4) 0.2423(4) 0.0483(13) Uani 1 1 d . . . . .
H01U H 0.111605 0.264540 0.233527 0.058 Uiso 1 1 calc R U . . .
C01V C -0.0539(4) 0.3647(5) 0.4461(4) 0.0663(18) Uani 1 1 d . . . . .
H01V H -0.106952 0.375741 0.477568 0.080 Uiso 1 1 calc R U . . .
C01W C 0.8373(5) 0.0016(4) 0.0835(4) 0.0610(16) Uani 1 1 d . . . . .
H01W H 0.887378 -0.010253 0.049374 0.073 Uiso 1 1 calc R U . . .
C01X C 0.0843(4) 0.6765(4) -0.1650(4) 0.0549(14) Uani 1 1 d . . . . .
H01X H 0.045893 0.665506 -0.195785 0.066 Uiso 1 1 calc R U . . .
C01Y C 0.3423(6) 0.1760(5) 0.6438(5) 0.075(2) Uani 1 1 d . . . . .
H01Y H 0.402292 0.178544 0.650075 0.090 Uiso 1 1 calc R U . . .
O8 O 0.7224(4) 0.3764(5) 0.3537(4) 0.109(2) Uani 1 1 d D . . . .
C020 C 0.3279(4) 0.2796(4) 0.2109(3) 0.0500(13) Uani 1 1 d . . . . .
H020 H 0.380919 0.269283 0.178856 0.060 Uiso 1 1 calc R U . . .
C021 C 0.8710(5) 0.1147(4) 0.3400(4) 0.0638(17) Uani 1 1 d . . . . .
H021 H 0.927200 0.123569 0.350751 0.077 Uiso 1 1 calc R U . . .
C022 C 0.7517(6) -0.0073(5) 0.0725(5) 0.073(2) Uani 1 1 d . . . . .
H022 H 0.742619 -0.025529 0.030891 0.088 Uiso 1 1 calc R U . . .
C023 C -0.0620(4) 0.3369(5) 0.3834(4) 0.0668(18) Uani 1 1 d . . . . .
H023 H -0.119896 0.331953 0.373559 0.080 Uiso 1 1 calc R U . . .
C024 C 0.1062(5) 0.6157(4) 0.3262(4) 0.0629(16) Uani 1 1 d . . . . .
H024 H 0.055170 0.630771 0.357232 0.075 Uiso 1 1 calc R U . . .
C025 C 0.2455(4) 0.2617(4) 0.1959(4) 0.0527(14) Uani 1 1 d . . . . .
H025 H 0.243740 0.240095 0.154921 0.063 Uiso 1 1 calc R U . . .
C026 C 0.2427(5) 0.4815(4) 0.0555(4) 0.0645(17) Uani 1 1 d . . . . .
H026 H 0.296435 0.467885 0.026573 0.077 Uiso 1 1 calc R U . . .
C027 C 0.3014(6) 0.7763(5) 0.0663(4) 0.0703(19) Uani 1 1 d . . . . .
H027 H 0.283114 0.795509 0.109855 0.084 Uiso 1 1 calc R U . . .
C028 C 0.2773(5) 0.0790(4) 0.4006(4) 0.0636(17) Uani 1 1 d . . . . .
H028 H 0.326696 0.070292 0.363885 0.076 Uiso 1 1 calc R U . . .
C029 C 0.1168(5) 0.0777(4) 0.4452(4) 0.0592(16) Uani 1 1 d . . . . .
H029 H 0.058188 0.068623 0.440011 0.071 Uiso 1 1 calc R U . . .
C02A C -0.1514(5) 0.5548(5) 0.2118(5) 0.074(2) Uani 1 1 d . . . . .
H02A H -0.208811 0.550294 0.200747 0.088 Uiso 1 1 calc R U . . .
C02B C -0.0954(5) 0.1355(5) 0.6046(6) 0.081(2) Uani 1 1 d . . . . .
H02B H -0.155430 0.130126 0.600339 0.097 Uiso 1 1 calc R U . . .
C02C C 0.2742(7) 0.1971(5) 0.6979(4) 0.077(2) Uani 1 1 d . . . . .
H02C H 0.288758 0.214950 0.737927 0.093 Uiso 1 1 calc R U . . .
C02D C 0.6788(5) 0.0109(5) 0.1236(5) 0.074(2) Uani 1 1 d . . . . .
H02D H 0.620562 0.004448 0.115405 0.089 Uiso 1 1 calc R U . . .
C02E C -0.0785(6) 0.1612(5) 0.6665(5) 0.079(2) Uani 1 1 d . . . . .
H02E H -0.127592 0.171217 0.702737 0.094 Uiso 1 1 calc R U . . .
C02F C 0.2659(5) 0.6022(5) 0.2915(5) 0.073(2) Uani 1 1 d . . . . .
H02F H 0.323605 0.609041 0.300411 0.087 Uiso 1 1 calc R U . . .
C02G C 1.1013(5) 0.0662(5) 0.1886(5) 0.0724(19) Uani 1 1 d . . . . .
H02G H 1.159420 0.075257 0.194922 0.087 Uiso 1 1 calc R U . . .
C02H C 0.1912(5) 0.0610(5) 0.3933(4) 0.0653(18) Uani 1 1 d . . . . .
H02H H 0.183517 0.038338 0.354503 0.078 Uiso 1 1 calc R U . . .
C02I C 0.1613(5) 0.4724(4) 0.0325(4) 0.0651(18) Uani 1 1 d . . . . .
H02I H 0.160832 0.453718 -0.010693 0.078 Uiso 1 1 calc R U . . .
C02J C -0.0384(6) 0.7908(5) 0.0910(5) 0.074(2) Uani 1 1 d . . . . .
H02J H -0.100246 0.798452 0.107049 0.089 Uiso 1 1 calc R U . . .
C02K C 1.0915(5) 0.0355(5) 0.1279(4) 0.074(2) Uani 1 1 d . . . . .
H02K H 1.143750 0.023596 0.096116 0.089 Uiso 1 1 calc R U . . .
C02L C 0.1852(6) 0.1915(4) 0.6917(4) 0.0654(18) Uani 1 1 d . . . . .
H02L H 0.138237 0.205134 0.727462 0.078 Uiso 1 1 calc R U . . .
C02M C -0.1453(5) 0.5826(6) 0.2740(6) 0.080(2) Uani 1 1 d . . . . .
H02M H -0.198861 0.595265 0.303812 0.096 Uiso 1 1 calc R U . . .
C02N C 0.1914(6) 0.6267(5) 0.3378(5) 0.078(2) Uani 1 1 d . . . . .
H02N H 0.199306 0.650177 0.376062 0.093 Uiso 1 1 calc R U . . .
C1 C 0.6553(4) 0.3341(5) 0.3983(4) 0.0680(17) Uani 1 1 d D U . . .
C02P C 0.4168(5) 0.7395(6) -0.0255(5) 0.081(2) Uani 1 1 d . . . . .
H02P H 0.478697 0.734027 -0.043366 0.097 Uiso 1 1 calc R U . . .
C02Q C 0.0211(6) 0.8090(5) 0.1314(5) 0.077(2) Uani 1 1 d . . . . .
H02Q H -0.001783 0.828964 0.173689 0.092 Uiso 1 1 calc R U . . .
C02R C 0.7934(6) 0.1290(5) 0.3869(4) 0.071(2) Uani 1 1 d . . . . .
H02R H 0.795672 0.148340 0.429357 0.086 Uiso 1 1 calc R U . . .
C02S C 0.3898(6) 0.7655(6) 0.0421(5) 0.086(2) Uani 1 1 d . . . . .
H02S H 0.432902 0.775020 0.069632 0.103 Uiso 1 1 calc R U . . .
C02U C 0.7119(6) 0.1144(5) 0.3706(5) 0.075(2) Uani 1 1 d . . . . .
H02U H 0.659099 0.123195 0.403799 0.090 Uiso 1 1 calc R U . . .
C2 C 0.6487(6) 0.3058(7) 0.4947(5) 0.095(2) Uani 1 1 d D U . . .
O14 O 0.5119(3) 0.0793(3) 0.2716(3) 0.0773(13) Uani 1 1 d . . . . .
H14A H 0.460281 0.083855 0.256038 0.116 Uiso 1 1 d R U . . .
H14B H 0.546975 0.056627 0.241292 0.116 Uiso 1 1 d R U . . .
O13 O 0.4962(4) 0.0449(5) 0.5524(4) 0.107(2) Uani 1 1 d D . . . .
H13A H 0.473491 0.095754 0.520330 0.161 Uiso 1 1 d DR U . . .
H13B H 0.468421 0.033526 0.602814 0.161 Uiso 1 1 d DR U . . .
F3A F 0.5634(17) 0.283(2) 0.547(2) 0.108(6) Uani 0.30(2) 1 d D U P B 1
O12 O 0.6767(10) 0.5959(10) 0.1048(10) 0.119(4) Uani 0.5 1 d D U P C 1
H12 H 0.627627 0.574359 0.132607 0.179 Uiso 0.5 1 calc R U P C 1
O11 O 0.6209(9) 0.6890(11) -0.0072(8) 0.113(4) Uani 0.5 1 d D U P C 1
F7 F 0.7291(10) 0.7384(10) 0.1301(8) 0.151(4) Uani 0.5 1 d D U P C 1
C5 C 0.6642(18) 0.6744(12) 0.0488(14) 0.145(5) Uani 0.5 1 d D U P C 1
F8 F 0.7727(10) 0.7752(12) -0.0053(9) 0.179(5) Uani 0.5 1 d D U P C 1
C6 C 0.7027(11) 0.7537(13) 0.0572(10) 0.153(5) Uani 0.5 1 d D U P C 1
F9 F 0.6356(12) 0.8149(12) 0.0457(11) 0.205(6) Uani 0.5 1 d D U P C 1
O9 O 0.3956(10) 0.1060(10) 0.1570(10) 0.117(4) Uani 0.5 1 d D U P D 2
C7 C 0.3609(10) 0.0572(9) 0.1369(11) 0.144(7) Uani 0.5 1 d D U P D 2
O10 O 0.3108(12) 0.0919(14) 0.0781(12) 0.163(6) Uani 0.5 1 d D U P D 2
F10 F 0.4421(11) -0.0751(11) 0.2077(18) 0.282(15) Uani 0.5 1 d D . P D 2
F11 F 0.335(2) -0.0857(13) 0.153(2) 0.36(2) Uani 0.5 1 d D . P D 2
C8 C 0.3637(10) -0.0436(12) 0.1911(13) 0.173(14) Uani 0.5 1 d D . P D 2
F12 F 0.3094(17) -0.0641(16) 0.2628(14) 0.35(2) Uani 0.5 1 d D . P D 2
O15 O 0.4826(11) 0.4574(10) 0.0085(10) 0.128(5) Uani 0.5 1 d . U P E -1
C4A C 0.5162(10) 0.5663(9) 0.2711(10) 0.076(3) Uani 0.555(9) 1 d D U P A 1
F2B F 0.635(2) 0.3826(15) 0.5047(15) 0.118(7) Uani 0.30(2) 1 d D U P B 1
F1B F 0.7272(13) 0.275(2) 0.5144(15) 0.109(8) Uani 0.30(2) 1 d D U P B 1
F3B F 0.681(2) 0.2159(15) 0.5309(9) 0.263(13) Uani 0.70(2) 1 d D U P B 2
F2C F 0.5699(14) 0.288(2) 0.5320(13) 0.241(12) Uani 0.70(2) 1 d D U P B 2
F1C F 0.6925(15) 0.3469(17) 0.5191(9) 0.215(9) Uani 0.70(2) 1 d D . P B 2
C4B C 0.5627(12) 0.5527(11) 0.2575(10) 0.066(4) Uiso 0.445(9) 1 d D . P A 2
O7A O 0.6206(9) 0.5708(9) 0.1952(9) 0.094(4) Uiso 0.445(9) 1 d D . P A 2
F6A F 0.4719(15) 0.6219(16) 0.3437(15) 0.173(8) Uiso 0.445(9) 1 d D . P A 2
F4A F 0.577(2) 0.7018(17) 0.2464(18) 0.243(12) Uiso 0.445(9) 1 d D . P A 2
F5A F 0.594(2) 0.592(2) 0.353(2) 0.283(19) Uiso 0.445(9) 1 d D . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O3 2.307(4) . ?
Dy1 O4 2.418(4) . ?
Dy1 H4B 2.3220 . ?
Dy1 O2 2.358(4) . ?
Dy1 O6 2.324(4) . ?
Dy1 N1 2.547(4) . ?
Dy1 O1 2.371(4) . ?
Dy1 N2 2.564(4) . ?
Dy1 O5 2.284(4) . ?
O3 H3A 0.8504 . ?
O3 H3B 0.8502 . ?
O4 H4A 0.8765 . ?
O4 H4B 0.8743 . ?
O2 H2A 0.8497 . ?
O2 H2B 0.8502 . ?
O6 C4A 1.174(14) . ?
O7 C4A 1.174(13) . ?
C4 F4 1.401(18) . ?
C4 F5 1.232(16) . ?
C4 F6 1.245(16) . ?
C4 C4A 1.455(17) . ?
N1 C00K 1.357(6) . ?
N1 C017 1.316(7) . ?
O1 H1A 0.8500 . ?
O1 H1B 0.8500 . ?
N2 C00P 1.359(7) . ?
N2 C020 1.319(7) . ?
N13 C00S 1.355(7) . ?
N13 C01Q 1.328(7) . ?
N10 C016 1.361(7) . ?
N10 C02F 1.307(9) . ?
N9 C00X 1.356(7) . ?
N9 C026 1.325(9) . ?
O5 C1 1.244(6) . ?
N5 C01A 1.356(7) . ?
N5 C028 1.320(8) . ?
N6 C01K 1.366(8) . ?
N6 C01Y 1.341(9) . ?
N3 C00Q 1.362(7) . ?
N3 C023 1.311(8) . ?
N14 C010 1.351(8) . ?
N14 C02P 1.318(9) . ?
C00I C00K 1.415(7) . ?
C00I C011 1.404(8) . ?
C00I C012 1.465(7) . ?
N15 C01C 1.354(8) . ?
N15 C02J 1.325(9) . ?
C00K C00P 1.450(7) . ?
N17 C01E 1.352(8) . ?
N17 C02D 1.329(9) . ?
N11 C013 1.358(7) . ?
N11 C02A 1.334(9) . ?
N4 C012 1.360(7) . ?
N4 C01V 1.317(8) . ?
N19 C01G 1.362(8) . ?
N19 C02G 1.326(9) . ?
C00P C00Y 1.405(7) . ?
C00Q C00Y 1.458(7) . ?
C00Q C012 1.384(8) . ?
N7 C01F 1.361(8) . ?
N7 C02B 1.326(10) . ?
C00S C00U 1.412(8) . ?
C00S C010 1.460(8) . ?
N18 C01R 1.349(8) . ?
N18 C02U 1.329(9) . ?
C00U C01C 1.447(7) . ?
C00U C01J 1.411(8) . ?
C00V C00X 1.400(8) . ?
C00V C013 1.462(8) . ?
C00V C01P 1.379(8) . ?
N20 C01M 1.353(8) . ?
N20 C02K 1.313(9) . ?
C00X C016 1.452(8) . ?
C00Y C01U 1.387(8) . ?
N16 C01L 1.361(7) . ?
N16 C02Q 1.343(10) . ?
C010 C01H 1.413(8) . ?
C011 H011 0.9300 . ?
C011 C01B 1.356(8) . ?
C013 C01N 1.407(8) . ?
N12 C01N 1.355(8) . ?
N12 C02M 1.323(9) . ?
C016 C019 1.406(8) . ?
C017 H017 0.9300 . ?
C017 C01B 1.404(8) . ?
N8 C01S 1.365(8) . ?
N8 C02E 1.321(10) . ?
C019 C01N 1.444(8) . ?
C019 C024 1.404(9) . ?
C01A C01K 1.448(8) . ?
C01A C01O 1.413(8) . ?
C01B H01B 0.9300 . ?
C01C C01L 1.407(9) . ?
C01D C01E 1.397(9) . ?
C01D C01M 1.450(9) . ?
C01D C01W 1.392(9) . ?
C01E C01R 1.464(9) . ?
C01F C01O 1.444(8) . ?
C01F C01S 1.390(8) . ?
C01G C01I 1.460(9) . ?
C01G C01M 1.396(8) . ?
C01H C01L 1.391(7) . ?
C01H C027 1.421(9) . ?
C01I C01R 1.397(9) . ?
C01I C021 1.386(9) . ?
C01J H01J 0.9300 . ?
C01J C01X 1.364(8) . ?
C01K C01T 1.396(8) . ?
C01O C029 1.390(8) . ?
C01P H01P 0.9300 . ?
C01P C02I 1.364(10) . ?
C01Q H01Q 0.9300 . ?
C01Q C01X 1.394(9) . ?
C01S C01T 1.458(9) . ?
C01T C02L 1.408(8) . ?
C01U H01U 0.9300 . ?
C01U C025 1.359(8) . ?
C01V H01V 0.9300 . ?
C01V C023 1.381(10) . ?
C01W H01W 0.9300 . ?
C01W C022 1.359(10) . ?
C01X H01X 0.9300 . ?
C01Y H01Y 0.9300 . ?
C01Y C02C 1.384(11) . ?
O8 C1 1.215(7) . ?
C020 H020 0.9300 . ?
C020 C025 1.388(8) . ?
C021 H021 0.9300 . ?
C021 C02R 1.357(10) . ?
C022 H022 0.9300 . ?
C022 C02D 1.375(11) . ?
C023 H023 0.9300 . ?
C024 H024 0.9300 . ?
C024 C02N 1.366(10) . ?
C025 H025 0.9300 . ?
C026 H026 0.9300 . ?
C026 C02I 1.388(10) . ?
C027 H027 0.9300 . ?
C027 C02S 1.333(11) . ?
C028 H028 0.9300 . ?
C028 C02H 1.388(10) . ?
C029 H029 0.9300 . ?
C029 C02H 1.386(10) . ?
C02A H02A 0.9300 . ?
C02A C02M 1.365(11) . ?
C02B H02B 0.9300 . ?
C02B C02E 1.386(11) . ?
C02C H02C 0.9300 . ?
C02C C02L 1.370(11) . ?
C02D H02D 0.9300 . ?
C02E H02E 0.9300 . ?
C02F H02F 0.9300 . ?
C02F C02N 1.388(11) . ?
C02G H02G 0.9300 . ?
C02G C02K 1.387(10) . ?
C02H H02H 0.9300 . ?
C02I H02I 0.9300 . ?
C02J H02J 0.9300 . ?
C02J C02Q 1.355(12) . ?
C02K H02K 0.9300 . ?
C02L H02L 0.9300 . ?
C02M H02M 0.9300 . ?
C02N H02N 0.9300 . ?
C1 C2 1.523(8) . ?
C02P H02P 0.9300 . ?
C02P C02S 1.403(11) . ?
C02Q H02Q 0.9300 . ?
C02R H02R 0.9300 . ?
C02R C02U 1.366(11) . ?
C02S H02S 0.9300 . ?
C02U H02U 0.9300 . ?
C2 F3A 1.41(2) . ?
C2 F2B 1.33(2) . ?
C2 F1B 1.275(18) . ?
C2 F3B 1.395(16) . ?
C2 F2C 1.235(19) . ?
C2 F1C 1.224(13) . ?
O14 H14A 0.8503 . ?
O14 H14B 0.8506 . ?
O13 H13A 0.8500 . ?
O13 H13B 0.8501 . ?
O12 H12 0.8200 . ?
O12 C5 1.246(10) . ?
O11 C5 1.192(10) . ?
F7 C6 1.312(10) . ?
C5 C6 1.539(11) . ?
F8 C6 1.317(10) . ?
C6 F9 1.319(10) . ?
O9 C7 1.190(9) . ?
C7 O10 1.272(10) . ?
C7 C8 1.497(11) . ?
F10 C8 1.263(9) . ?
F11 C8 1.279(10) . ?
C8 F12 1.288(10) . ?
C4B O7A 1.205(15) . ?

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 O4 73.52(15) . . ?
O3 Dy1 H4B 89.3 . . ?
O3 Dy1 O2 70.82(15) . . ?
O3 Dy1 O6 148.55(16) . . ?
O3 Dy1 N1 137.40(14) . . ?
O3 Dy1 O1 99.89(17) . . ?
O3 Dy1 N2 79.08(14) . . ?
O4 Dy1 H4B 21.1 . . ?
O4 Dy1 N1 74.83(15) . . ?
O4 Dy1 N2 72.09(14) . . ?
O2 Dy1 O4 133.59(15) . . ?
O2 Dy1 H4B 132.1 . . ?
O2 Dy1 N1 149.76(15) . . ?
O2 Dy1 O1 72.96(16) . . ?
O2 Dy1 N2 127.10(16) . . ?
O6 Dy1 O4 128.30(16) . . ?
O6 Dy1 H4B 107.9 . . ?
O6 Dy1 O2 78.23(16) . . ?
O6 Dy1 N1 74.03(15) . . ?
O6 Dy1 O1 75.68(18) . . ?
O6 Dy1 N2 126.11(15) . . ?
N1 Dy1 H4B 69.4 . . ?
N1 Dy1 N2 64.45(13) . . ?
O1 Dy1 O4 142.75(15) . . ?
O1 Dy1 H4B 154.9 . . ?
O1 Dy1 N1 88.56(15) . . ?
O1 Dy1 N2 70.66(15) . . ?
N2 Dy1 H4B 88.5 . . ?
O5 Dy1 O3 97.23(18) . . ?
O5 Dy1 O4 68.86(16) . . ?
O5 Dy1 H4B 51.6 . . ?
O5 Dy1 O2 87.13(18) . . ?
O5 Dy1 O6 75.35(18) . . ?
O5 Dy1 N1 97.19(17) . . ?
O5 Dy1 O1 147.57(18) . . ?
O5 Dy1 N2 140.10(16) . . ?
Dy1 O3 H3A 127.5 . . ?
Dy1 O3 H3B 127.7 . . ?
H3A O3 H3B 104.5 . . ?
Dy1 O4 H4A 110.5 . . ?
Dy1 O4 H4B 73.3 . . ?
H4A O4 H4B 98.4 . . ?
Dy1 O2 H2A 126.6 . . ?
Dy1 O2 H2B 127.5 . . ?
H2A O2 H2B 104.6 . . ?
C4A O6 Dy1 150.0(8) . . ?
F4 C4 C4A 109.0(11) . . ?
F5 C4 F4 102.2(11) . . ?
F5 C4 F6 108.4(12) . . ?
F5 C4 C4A 108.1(14) . . ?
F6 C4 F4 101.1(11) . . ?
F6 C4 C4A 125.6(12) . . ?
C00K N1 Dy1 119.8(3) . . ?
C017 N1 Dy1 121.6(3) . . ?
C017 N1 C00K 118.7(4) . . ?
Dy1 O1 H1A 119.3 . . ?
Dy1 O1 H1B 107.9 . . ?
H1A O1 H1B 104.5 . . ?
C00P N2 Dy1 119.3(3) . . ?
C020 N2 Dy1 122.8(3) . . ?
C020 N2 C00P 117.6(5) . . ?
C01Q N13 C00S 117.7(5) . . ?
C02F N10 C016 118.7(6) . . ?
C026 N9 C00X 117.0(5) . . ?
C1 O5 Dy1 144.9(5) . . ?
C028 N5 C01A 118.5(6) . . ?
C01Y N6 C01K 117.0(6) . . ?
C023 N3 C00Q 115.4(6) . . ?
C02P N14 C010 117.6(6) . . ?
C00K C00I C012 119.0(5) . . ?
C011 C00I C00K 118.3(5) . . ?
C011 C00I C012 122.7(5) . . ?
C02J N15 C01C 115.9(6) . . ?
N1 C00K C00I 121.5(5) . . ?
N1 C00K C00P 118.3(4) . . ?
C00I C00K C00P 120.2(4) . . ?
C02D N17 C01E 117.7(6) . . ?
C02A N11 C013 115.2(6) . . ?
C01V N4 C012 113.9(6) . . ?
C02G N19 C01G 115.6(6) . . ?
N2 C00P C00K 117.6(4) . . ?
N2 C00P C00Y 121.9(5) . . ?
C00Y C00P C00K 120.5(5) . . ?
N3 C00Q C00Y 117.5(5) . . ?
N3 C00Q C012 121.3(5) . . ?
C012 C00Q C00Y 121.1(5) . . ?
C02B N7 C01F 115.5(7) . . ?
N13 C00S C00U 121.9(5) . . ?
N13 C00S C010 118.2(5) . . ?
C00U C00S C010 119.8(5) . . ?
C02U N18 C01R 117.9(7) . . ?
C00S C00U C01C 119.6(5) . . ?
C01J C00U C00S 118.1(5) . . ?
C01J C00U C01C 122.3(5) . . ?
C00X C00V C013 119.1(5) . . ?
C01P C00V C00X 118.6(5) . . ?
C01P C00V C013 122.3(5) . . ?
C02K N20 C01M 115.7(6) . . ?
N9 C00X C00V 122.2(5) . . ?
N9 C00X C016 117.6(5) . . ?
C00V C00X C016 120.2(5) . . ?
C00P C00Y C00Q 118.9(5) . . ?
C01U C00Y C00P 118.2(5) . . ?
C01U C00Y C00Q 122.9(5) . . ?
C02Q N16 C01L 116.1(6) . . ?
N14 C010 C00S 117.9(5) . . ?
N14 C010 C01H 124.0(6) . . ?
C01H C010 C00S 118.1(5) . . ?
C00I C011 H011 120.6 . . ?
C01B C011 C00I 118.9(5) . . ?
C01B C011 H011 120.6 . . ?
N4 C012 C00I 117.2(5) . . ?
N4 C012 C00Q 122.7(5) . . ?
C00Q C012 C00I 120.2(5) . . ?
N11 C013 C00V 118.2(5) . . ?
N11 C013 C01N 121.3(6) . . ?
C01N C013 C00V 120.6(5) . . ?
C02M N12 C01N 115.7(6) . . ?
N10 C016 C00X 118.2(5) . . ?
N10 C016 C019 121.3(5) . . ?
C019 C016 C00X 120.5(5) . . ?
N1 C017 H017 118.5 . . ?
N1 C017 C01B 123.0(5) . . ?
C01B C017 H017 118.5 . . ?
C02E N8 C01S 115.5(7) . . ?
C016 C019 C01N 119.7(5) . . ?
C024 C019 C016 118.0(6) . . ?
C024 C019 C01N 122.2(6) . . ?
N5 C01A C01K 118.5(5) . . ?
N5 C01A C01O 121.7(5) . . ?
C01O C01A C01K 119.8(5) . . ?
C011 C01B C017 119.6(5) . . ?
C011 C01B H01B 120.2 . . ?
C017 C01B H01B 120.2 . . ?
N15 C01C C00U 117.7(6) . . ?
N15 C01C C01L 122.3(5) . . ?
C01L C01C C00U 120.0(5) . . ?
C01E C01D C01M 119.4(5) . . ?
C01W C01D C01E 117.9(6) . . ?
C01W C01D C01M 122.6(6) . . ?
N17 C01E C01D 122.2(6) . . ?
N17 C01E C01R 117.5(6) . . ?
C01D C01E C01R 120.3(6) . . ?
N7 C01F C01O 118.0(6) . . ?
N7 C01F C01S 121.5(6) . . ?
C01S C01F C01O 120.5(6) . . ?
N19 C01G C01I 118.1(5) . . ?
N19 C01G C01M 121.6(6) . . ?
C01M C01G C01I 120.3(6) . . ?
C010 C01H C027 114.8(6) . . ?
C01L C01H C010 122.5(5) . . ?
C01L C01H C027 122.7(6) . . ?
C01R C01I C01G 119.2(5) . . ?
C021 C01I C01G 122.9(6) . . ?
C021 C01I C01R 117.8(6) . . ?
C00U C01J H01J 120.3 . . ?
C01X C01J C00U 119.3(6) . . ?
C01X C01J H01J 120.3 . . ?
N6 C01K C01A 117.8(5) . . ?
N6 C01K C01T 122.0(5) . . ?
C01T C01K C01A 120.2(5) . . ?
N16 C01L C01C 119.8(6) . . ?
N16 C01L C01H 120.2(6) . . ?
C01H C01L C01C 120.0(5) . . ?
N20 C01M C01D 117.9(5) . . ?
N20 C01M C01G 121.5(6) . . ?
C01G C01M C01D 120.6(5) . . ?
C013 C01N C019 119.9(5) . . ?
N12 C01N C013 121.5(6) . . ?
N12 C01N C019 118.6(6) . . ?
C01A C01O C01F 119.7(5) . . ?
C029 C01O C01A 118.2(6) . . ?
C029 C01O C01F 122.1(6) . . ?
C00V C01P H01P 120.2 . . ?
C02I C01P C00V 119.5(6) . . ?
C02I C01P H01P 120.2 . . ?
N13 C01Q H01Q 117.8 . . ?
N13 C01Q C01X 124.4(5) . . ?
C01X C01Q H01Q 117.8 . . ?
N18 C01R C01E 118.0(6) . . ?
N18 C01R C01I 121.8(6) . . ?
C01I C01R C01E 120.1(5) . . ?
N8 C01S C01F 121.9(6) . . ?
N8 C01S C01T 118.1(6) . . ?
C01F C01S C01T 120.0(5) . . ?
C01K C01T C01S 119.8(5) . . ?
C01K C01T C02L 119.2(6) . . ?
C02L C01T C01S 120.9(6) . . ?
C00Y C01U H01U 120.2 . . ?
C025 C01U C00Y 119.7(5) . . ?
C025 C01U H01U 120.2 . . ?
N4 C01V H01V 118.0 . . ?
N4 C01V C023 124.0(6) . . ?
C023 C01V H01V 118.0 . . ?
C01D C01W H01W 120.2 . . ?
C022 C01W C01D 119.5(6) . . ?
C022 C01W H01W 120.2 . . ?
C01J C01X C01Q 118.4(6) . . ?
C01J C01X H01X 120.8 . . ?
C01Q C01X H01X 120.8 . . ?
N6 C01Y H01Y 117.9 . . ?
N6 C01Y C02C 124.2(7) . . ?
C02C C01Y H01Y 117.9 . . ?
N2 C020 H020 118.0 . . ?
N2 C020 C025 124.0(5) . . ?
C025 C020 H020 118.0 . . ?
C01I C021 H021 120.0 . . ?
C02R C021 C01I 120.0(7) . . ?
C02R C021 H021 120.0 . . ?
C01W C022 H022 120.4 . . ?
C01W C022 C02D 119.2(7) . . ?
C02D C022 H022 120.4 . . ?
N3 C023 C01V 122.7(6) . . ?
N3 C023 H023 118.7 . . ?
C01V C023 H023 118.7 . . ?
C019 C024 H024 120.3 . . ?
C02N C024 C019 119.4(7) . . ?
C02N C024 H024 120.3 . . ?
C01U C025 C020 118.7(5) . . ?
C01U C025 H025 120.7 . . ?
C020 C025 H025 120.7 . . ?
N9 C026 H026 117.9 . . ?
N9 C026 C02I 124.2(6) . . ?
C02I C026 H026 117.9 . . ?
C01H C027 H027 119.3 . . ?
C02S C027 C01H 121.5(6) . . ?
C02S C027 H027 119.3 . . ?
N5 C028 H028 118.2 . . ?
N5 C028 C02H 123.6(6) . . ?
C02H C028 H028 118.2 . . ?
C01O C029 H029 120.4 . . ?
C02H C029 C01O 119.3(6) . . ?
C02H C029 H029 120.4 . . ?
N11 C02A H02A 118.4 . . ?
N11 C02A C02M 123.2(6) . . ?
C02M C02A H02A 118.4 . . ?
N7 C02B H02B 118.5 . . ?
N7 C02B C02E 123.0(7) . . ?
C02E C02B H02B 118.5 . . ?
C01Y C02C H02C 120.4 . . ?
C02L C02C C01Y 119.2(6) . . ?
C02L C02C H02C 120.4 . . ?
N17 C02D C022 123.4(7) . . ?
N17 C02D H02D 118.3 . . ?
C022 C02D H02D 118.3 . . ?
N8 C02E C02B 122.7(7) . . ?
N8 C02E H02E 118.7 . . ?
C02B C02E H02E 118.7 . . ?
N10 C02F H02F 118.1 . . ?
N10 C02F C02N 123.9(7) . . ?
C02N C02F H02F 118.1 . . ?
N19 C02G H02G 119.0 . . ?
N19 C02G C02K 122.1(7) . . ?
C02K C02G H02G 119.0 . . ?
C028 C02H H02H 120.7 . . ?
C029 C02H C028 118.6(6) . . ?
C029 C02H H02H 120.7 . . ?
C01P C02I C026 118.4(6) . . ?
C01P C02I H02I 120.8 . . ?
C026 C02I H02I 120.8 . . ?
N15 C02J H02J 118.6 . . ?
N15 C02J C02Q 122.8(7) . . ?
C02Q C02J H02J 118.6 . . ?
N20 C02K C02G 123.5(7) . . ?
N20 C02K H02K 118.2 . . ?
C02G C02K H02K 118.2 . . ?
C01T C02L H02L 120.8 . . ?
C02C C02L C01T 118.3(7) . . ?
C02C C02L H02L 120.8 . . ?
N12 C02M C02A 123.2(7) . . ?
N12 C02M H02M 118.4 . . ?
C02A C02M H02M 118.4 . . ?
C024 C02N C02F 118.7(7) . . ?
C024 C02N H02N 120.7 . . ?
C02F C02N H02N 120.7 . . ?
O5 C1 C2 114.4(6) . . ?
O8 C1 O5 130.0(7) . . ?
O8 C1 C2 115.6(6) . . ?
N14 C02P H02P 118.4 . . ?
N14 C02P C02S 123.2(7) . . ?
C02S C02P H02P 118.4 . . ?
N16 C02Q C02J 123.1(7) . . ?
N16 C02Q H02Q 118.5 . . ?
C02J C02Q H02Q 118.5 . . ?
C021 C02R H02R 120.6 . . ?
C021 C02R C02U 118.8(7) . . ?
C02U C02R H02R 120.6 . . ?
C027 C02S C02P 118.8(7) . . ?
C027 C02S H02S 120.6 . . ?
C02P C02S H02S 120.6 . . ?
N18 C02U C02R 123.6(7) . . ?
N18 C02U H02U 118.2 . . ?
C02R C02U H02U 118.2 . . ?
F3A C2 C1 118.9(15) . . ?
F2B C2 C1 105.7(13) . . ?
F2B C2 F3A 84(2) . . ?
F1B C2 C1 106.7(13) . . ?
F1B C2 F3A 128.5(19) . . ?
F1B C2 F2B 106.5(17) . . ?
F3B C2 C1 106.9(9) . . ?
F2C C2 C1 111.5(12) . . ?
F2C C2 F3B 95.0(19) . . ?
F1C C2 C1 118.9(11) . . ?
F1C C2 F3B 104.6(15) . . ?
F1C C2 F2C 116.2(15) . . ?
H14A O14 H14B 104.5 . . ?
H13A O13 H13B 104.5 . . ?
C5 O12 H12 109.5 . . ?
O12 C5 C6 117.3(15) . . ?
O11 C5 O12 122.2(19) . . ?
O11 C5 C6 120.5(16) . . ?
F7 C6 C5 118.8(16) . . ?
F7 C6 F8 110.3(13) . . ?
F7 C6 F9 106.8(12) . . ?
F8 C6 C5 100.6(17) . . ?
F8 C6 F9 116.0(14) . . ?
F9 C6 C5 104.7(17) . . ?
O9 C7 O10 119.3(16) . . ?
O9 C7 C8 119.2(14) . . ?
O10 C7 C8 120.6(14) . . ?
F10 C8 C7 113.5(10) . . ?
F10 C8 F11 107.9(13) . . ?
F10 C8 F12 108.5(13) . . ?
F11 C8 C7 110.4(10) . . ?
F11 C8 F12 106.1(13) . . ?
F12 C8 C7 110.2(10) . . ?
O6 C4A O7 134.0(12) . . ?
O6 C4A C4 124.3(13) . . ?
O7 C4A C4 98.6(11) . . ?

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 O6 C4A O7 34(3) . . . . ?
Dy1 O6 C4A C4 -170.6(8) . . . . ?
Dy1 N1 C00K C00I -176.9(4) . . . . ?
Dy1 N1 C00K C00P 3.3(6) . . . . ?
Dy1 N1 C017 C01B 178.7(5) . . . . ?
Dy1 N2 C00P C00K -7.0(6) . . . . ?
Dy1 N2 C00P C00Y 174.0(4) . . . . ?
Dy1 N2 C020 C025 -173.8(4) . . . . ?
Dy1 O5 C1 O8 -45.0(14) . . . . ?
Dy1 O5 C1 C2 134.5(8) . . . . ?
F4 C4 C4A O6 -38.5(19) . . . . ?
F4 C4 C4A O7 123.9(12) . . . . ?
F5 C4 C4A O6 -148.8(15) . . . . ?
F5 C4 C4A O7 13.6(16) . . . . ?
F6 C4 C4A O6 81(2) . . . . ?
F6 C4 C4A O7 -116.4(16) . . . . ?
N1 C00K C00P N2 2.5(7) . . . . ?
N1 C00K C00P C00Y -178.5(5) . . . . ?
N1 C017 C01B C011 -1.3(10) . . . . ?
N2 C00P C00Y C00Q -179.1(5) . . . . ?
N2 C00P C00Y C01U 0.1(7) . . . . ?
N2 C020 C025 C01U 0.0(9) . . . . ?
N13 C00S C00U C01C 177.7(5) . . . . ?
N13 C00S C00U C01J -2.7(8) . . . . ?
N13 C00S C010 N14 4.0(8) . . . . ?
N13 C00S C010 C01H -177.2(5) . . . . ?
N13 C01Q C01X C01J -0.8(9) . . . . ?
N10 C016 C019 C01N 178.9(5) . . . . ?
N10 C016 C019 C024 1.6(8) . . . . ?
N10 C02F C02N C024 0.9(12) . . . . ?
N9 C00X C016 N10 2.3(7) . . . . ?
N9 C00X C016 C019 -179.2(5) . . . . ?
N9 C026 C02I C01P -0.4(10) . . . . ?
O5 C1 C2 F3A -19.0(19) . . . . ?
O5 C1 C2 F2B -110.6(17) . . . . ?
O5 C1 C2 F1B 136.2(17) . . . . ?
O5 C1 C2 F3B 83.5(18) . . . . ?
O5 C1 C2 F2C -19(2) . . . . ?
O5 C1 C2 F1C -158.5(17) . . . . ?
N5 C01A C01K N6 -4.4(8) . . . . ?
N5 C01A C01K C01T 176.8(5) . . . . ?
N5 C01A C01O C01F -176.4(5) . . . . ?
N5 C01A C01O C029 3.8(8) . . . . ?
N5 C028 C02H C029 2.8(10) . . . . ?
N6 C01K C01T C01S -177.9(5) . . . . ?
N6 C01K C01T C02L 2.1(8) . . . . ?
N6 C01Y C02C C02L 1.8(11) . . . . ?
N3 C00Q C00Y C00P 176.1(5) . . . . ?
N3 C00Q C00Y C01U -3.1(8) . . . . ?
N3 C00Q C012 C00I -178.2(5) . . . . ?
N3 C00Q C012 N4 -0.1(8) . . . . ?
N14 C010 C01H C01L 177.5(6) . . . . ?
N14 C010 C01H C027 -1.9(9) . . . . ?
N14 C02P C02S C027 -2.1(14) . . . . ?
C00I C00K C00P N2 -177.3(5) . . . . ?
C00I C00K C00P C00Y 1.7(7) . . . . ?
C00I C011 C01B C017 1.1(9) . . . . ?
N15 C01C C01L N16 -1.1(8) . . . . ?
N15 C01C C01L C01H 179.9(5) . . . . ?
N15 C02J C02Q N16 -0.4(12) . . . . ?
C00K N1 C017 C01B -0.5(9) . . . . ?
C00K C00I C011 C01B 0.6(8) . . . . ?
C00K C00I C012 N4 -176.1(5) . . . . ?
C00K C00I C012 C00Q 2.2(7) . . . . ?
C00K C00P C00Y C00Q 1.9(7) . . . . ?
C00K C00P C00Y C01U -178.8(5) . . . . ?
N17 C01E C01R N18 1.5(8) . . . . ?
N17 C01E C01R C01I -178.0(5) . . . . ?
N11 C013 C01N N12 -0.2(9) . . . . ?
N11 C013 C01N C019 -179.2(5) . . . . ?
N11 C02A C02M N12 0.9(13) . . . . ?
N4 C01V C023 N3 2.0(11) . . . . ?
N19 C01G C01I C01R 179.9(5) . . . . ?
N19 C01G C01I C021 -0.6(8) . . . . ?
N19 C01G C01M N20 1.2(8) . . . . ?
N19 C01G C01M C01D -179.1(5) . . . . ?
N19 C02G C02K N20 1.3(12) . . . . ?
C00P N2 C020 C025 -0.4(8) . . . . ?
C00P C00Y C01U C025 -0.5(8) . . . . ?
C00Q N3 C023 C01V -1.8(9) . . . . ?
C00Q C00Y C01U C025 178.7(5) . . . . ?
N7 C01F C01O C01A 177.6(5) . . . . ?
N7 C01F C01O C029 -2.6(8) . . . . ?
N7 C01F C01S N8 1.8(9) . . . . ?
N7 C01F C01S C01T -179.6(5) . . . . ?
N7 C02B C02E N8 1.2(12) . . . . ?
C00S N13 C01Q C01X -1.5(9) . . . . ?
C00S C00U C01C N15 -179.4(5) . . . . ?
C00S C00U C01C C01L 0.1(8) . . . . ?
C00S C00U C01J C01X 0.2(8) . . . . ?
C00S C010 C01H C01L -1.2(8) . . . . ?
C00S C010 C01H C027 179.3(5) . . . . ?
C00U C00S C010 N14 -177.2(5) . . . . ?
C00U C00S C010 C01H 1.6(8) . . . . ?
C00U C01C C01L N16 179.4(5) . . . . ?
C00U C01C C01L C01H 0.4(8) . . . . ?
C00U C01J C01X C01Q 1.4(9) . . . . ?
C00V C00X C016 N10 -177.9(5) . . . . ?
C00V C00X C016 C019 0.6(8) . . . . ?
C00V C013 C01N N12 -179.9(5) . . . . ?
C00V C013 C01N C019 1.0(8) . . . . ?
C00V C01P C02I C026 1.1(9) . . . . ?
C00X N9 C026 C02I -0.8(9) . . . . ?
C00X C00V C013 N11 -179.8(5) . . . . ?
C00X C00V C013 C01N 0.0(8) . . . . ?
C00X C00V C01P C02I -0.5(8) . . . . ?
C00X C016 C019 C01N 0.4(8) . . . . ?
C00X C016 C019 C024 -176.8(5) . . . . ?
C00Y C00Q C012 C00I 1.5(8) . . . . ?
C00Y C00Q C012 N4 179.6(5) . . . . ?
C00Y C01U C025 C020 0.4(9) . . . . ?
C010 N14 C02P C02S 0.1(12) . . . . ?
C010 C00S C00U C01C -1.1(7) . . . . ?
C010 C00S C00U C01J 178.6(5) . . . . ?
C010 C01H C01L N16 -178.8(5) . . . . ?
C010 C01H C01L C01C 0.2(9) . . . . ?
C010 C01H C027 C02S -0.2(10) . . . . ?
C011 C00I C00K N1 -2.4(8) . . . . ?
C011 C00I C00K C00P 177.4(5) . . . . ?
C011 C00I C012 N4 2.8(8) . . . . ?
C011 C00I C012 C00Q -179.0(5) . . . . ?
C012 C00I C00K N1 176.5(5) . . . . ?
C012 C00I C00K C00P -3.7(7) . . . . ?
C012 C00I C011 C01B -178.2(5) . . . . ?
C012 N4 C01V C023 -0.9(10) . . . . ?
C012 C00Q C00Y C00P -3.5(7) . . . . ?
C012 C00Q C00Y C01U 177.3(5) . . . . ?
C013 N11 C02A C02M -0.5(11) . . . . ?
C013 C00V C00X N9 179.0(5) . . . . ?
C013 C00V C00X C016 -0.8(7) . . . . ?
C013 C00V C01P C02I 179.7(5) . . . . ?
C016 N10 C02F C02N 0.4(11) . . . . ?
C016 C019 C01N C013 -1.2(8) . . . . ?
C016 C019 C01N N12 179.7(5) . . . . ?
C016 C019 C024 C02N -0.2(9) . . . . ?
C017 N1 C00K C00I 2.3(8) . . . . ?
C017 N1 C00K C00P -177.5(5) . . . . ?
N8 C01S C01T C01K 179.4(5) . . . . ?
N8 C01S C01T C02L -0.5(8) . . . . ?
C019 C024 C02N C02F -1.0(11) . . . . ?
C01A N5 C028 C02H 0.3(9) . . . . ?
C01A C01K C01T C01S 0.9(8) . . . . ?
C01A C01K C01T C02L -179.2(5) . . . . ?
C01A C01O C029 C02H -0.5(8) . . . . ?
C01C N15 C02J C02Q -0.1(10) . . . . ?
C01C C00U C01J C01X 179.9(5) . . . . ?
C01D C01E C01R N18 -178.7(5) . . . . ?
C01D C01E C01R C01I 1.8(8) . . . . ?
C01D C01W C022 C02D 0.2(10) . . . . ?
C01E N17 C02D C022 -0.5(11) . . . . ?
C01E C01D C01M N20 179.1(5) . . . . ?
C01E C01D C01M C01G -0.7(8) . . . . ?
C01E C01D C01W C022 -0.1(9) . . . . ?
C01F N7 C02B C02E 0.0(10) . . . . ?
C01F C01O C029 C02H 179.7(6) . . . . ?
C01F C01S C01T C01K 0.7(8) . . . . ?
C01F C01S C01T C02L -179.3(5) . . . . ?
C01G N19 C02G C02K -1.3(10) . . . . ?
C01G C01I C01R N18 179.6(5) . . . . ?
C01G C01I C01R C01E -0.9(8) . . . . ?
C01G C01I C021 C02R -179.8(6) . . . . ?
C01H C027 C02S C02P 2.1(13) . . . . ?
C01I C01G C01M N20 -178.2(5) . . . . ?
C01I C01G C01M C01D 1.5(8) . . . . ?
C01I C021 C02R C02U 0.8(10) . . . . ?
C01J C00U C01C N15 0.9(8) . . . . ?
C01J C00U C01C C01L -179.6(5) . . . . ?
C01K N6 C01Y C02C -1.3(10) . . . . ?
C01K C01A C01O C01F 3.2(8) . . . . ?
C01K C01A C01O C029 -176.6(5) . . . . ?
C01K C01T C02L C02C -1.6(9) . . . . ?
C01L N16 C02Q C02J 0.1(10) . . . . ?
C01L C01H C027 C02S -179.7(7) . . . . ?
C01M N20 C02K C02G 0.0(10) . . . . ?
C01M C01D C01E N17 178.8(5) . . . . ?
C01M C01D C01E C01R -1.0(8) . . . . ?
C01M C01D C01W C022 -179.2(6) . . . . ?
C01M C01G C01I C01R -0.7(8) . . . . ?
C01M C01G C01I C021 178.8(5) . . . . ?
C01N N12 C02M C02A -0.8(11) . . . . ?
C01N C019 C024 C02N -177.4(6) . . . . ?
C01O C01A C01K N6 176.0(5) . . . . ?
C01O C01A C01K C01T -2.8(8) . . . . ?
C01O C01F C01S N8 -179.0(5) . . . . ?
C01O C01F C01S C01T -0.3(8) . . . . ?
C01O C029 C02H C028 -2.6(9) . . . . ?
C01P C00V C00X N9 -0.8(8) . . . . ?
C01P C00V C00X C016 179.4(5) . . . . ?
C01P C00V C013 N11 0.0(8) . . . . ?
C01P C00V C013 C01N 179.7(5) . . . . ?
C01Q N13 C00S C00U 3.2(8) . . . . ?
C01Q N13 C00S C010 -178.0(5) . . . . ?
C01R N18 C02U C02R 1.0(11) . . . . ?
C01R C01I C021 C02R -0.3(9) . . . . ?
C01S N8 C02E C02B -1.0(10) . . . . ?
C01S C01F C01O C01A -1.7(8) . . . . ?
C01S C01F C01O C029 178.1(5) . . . . ?
C01S C01T C02L C02C 178.4(6) . . . . ?
C01V N4 C012 C00I 178.2(5) . . . . ?
C01V N4 C012 C00Q 0.0(8) . . . . ?
C01W C01D C01E N17 -0.3(9) . . . . ?
C01W C01D C01E C01R 179.9(5) . . . . ?
C01W C01D C01M N20 -1.9(8) . . . . ?
C01W C01D C01M C01G 178.4(5) . . . . ?
C01W C022 C02D N17 0.1(12) . . . . ?
C01Y N6 C01K C01A -179.4(6) . . . . ?
C01Y N6 C01K C01T -0.6(9) . . . . ?
C01Y C02C C02L C01T -0.2(10) . . . . ?
O8 C1 C2 F3A 160.5(17) . . . . ?
O8 C1 C2 F2B 68.9(17) . . . . ?
O8 C1 C2 F1B -44.3(19) . . . . ?
O8 C1 C2 F3B -97.0(18) . . . . ?
O8 C1 C2 F2C 160.4(18) . . . . ?
O8 C1 C2 F1C 21(2) . . . . ?
C020 N2 C00P C00K 179.3(5) . . . . ?
C020 N2 C00P C00Y 0.3(7) . . . . ?
C021 C01I C01R N18 0.1(8) . . . . ?
C021 C01I C01R C01E 179.5(5) . . . . ?
C021 C02R C02U N18 -1.2(11) . . . . ?
C023 N3 C00Q C00Y -178.7(5) . . . . ?
C023 N3 C00Q C012 0.9(8) . . . . ?
C024 C019 C01N C013 175.9(6) . . . . ?
C024 C019 C01N N12 -3.2(9) . . . . ?
C026 N9 C00X C00V 1.4(8) . . . . ?
C026 N9 C00X C016 -178.8(5) . . . . ?
C027 C01H C01L N16 0.6(9) . . . . ?
C027 C01H C01L C01C 179.6(6) . . . . ?
C028 N5 C01A C01K 176.6(5) . . . . ?
C028 N5 C01A C01O -3.7(8) . . . . ?
C02A N11 C013 C00V 179.9(6) . . . . ?
C02A N11 C013 C01N 0.1(9) . . . . ?
C02B N7 C01F C01O 179.2(6) . . . . ?
C02B N7 C01F C01S -1.4(9) . . . . ?
C02D N17 C01E C01D 0.6(9) . . . . ?
C02D N17 C01E C01R -179.6(6) . . . . ?
C02E N8 C01S C01F -0.5(9) . . . . ?
C02E N8 C01S C01T -179.2(6) . . . . ?
C02F N10 C016 C00X 176.8(6) . . . . ?
C02F N10 C016 C019 -1.7(9) . . . . ?
C02G N19 C01G C01I 179.5(6) . . . . ?
C02G N19 C01G C01M 0.1(9) . . . . ?
C02J N15 C01C C00U -179.7(5) . . . . ?
C02J N15 C01C C01L 0.8(8) . . . . ?
C02K N20 C01M C01D 179.1(6) . . . . ?
C02K N20 C01M C01G -1.2(8) . . . . ?
C02M N12 C01N C013 0.5(9) . . . . ?
C02M N12 C01N C019 179.5(6) . . . . ?
C02P N14 C010 C00S -179.3(6) . . . . ?
C02P N14 C010 C01H 2.0(10) . . . . ?
C02Q N16 C01L C01C 0.6(8) . . . . ?
C02Q N16 C01L C01H 179.6(6) . . . . ?
C02U N18 C01R C01E -179.9(6) . . . . ?
C02U N18 C01R C01I -0.4(9) . . . . ?
O12 C5 C6 F7 -14(3) . . . . ?
O12 C5 C6 F8 106(3) . . . . ?
O12 C5 C6 F9 -133(2) . . . . ?
O11 C5 C6 F7 163(2) . . . . ?
O11 C5 C6 F8 -77(3) . . . . ?
O11 C5 C6 F9 44(3) . . . . ?
O9 C7 C8 F10 -49(2) . . . . ?
O9 C7 C8 F11 -171(2) . . . . ?
O9 C7 C8 F12 73(2) . . . . ?
O10 C7 C8 F10 141.3(19) . . . . ?
O10 C7 C8 F11 20(2) . . . . ?
O10 C7 C8 F12 -97(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_w20240415_zqy_2_0m
_audit_block_doi                 10.5517/ccdc.csd.cc2px0xk
_database_code_depnum_ccdc_archive 'CCDC 2499589'
loop_
_audit_author_name
_audit_author_address
LIUCHENYANG
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2025-11-01 deposited with the CCDC.	2026-02-10 downloaded from the CCDC.
;
_audit_creation_date             2025-10-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C58 H72 Dy2 N8 O12'
_chemical_formula_sum            'C58 H72 Dy2 N8 O12'
_chemical_formula_weight         1398.23
_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                   11.3142(12)
_cell_length_b                   11.9766(9)
_cell_length_c                   12.1483(10)
_cell_angle_alpha                84.533(2)
_cell_angle_beta                 67.499(3)
_cell_angle_gamma                83.682(3)
_cell_volume                     1509.1(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    8738
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      25.44
_cell_measurement_theta_min      3.13
_shelx_estimated_absorpt_T_max   0.769
_shelx_estimated_absorpt_T_min   0.735
_exptl_absorpt_coefficient_mu    2.522
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light colourless'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.2742
_diffrn_reflns_av_unetI/netI     0.1660
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            13592
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.879
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4485
_reflns_number_total             5285
_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       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve 1.5-alpha (Bourhis et al., 2015)'
_refine_diff_density_max         1.644
_refine_diff_density_min         -1.621
_refine_diff_density_rms         0.142
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5285
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0908
_refine_ls_R_factor_gt           0.0663
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+7.4213P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1084
_refine_ls_wR_factor_ref         0.1136
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N4(H4), C00H(H00H), C00L(H00L), C00N(H00N), C00P(H00P), C00Q(H00Q),
 C00T(H00T), C00U(H00U), C00W(H00W)
2.b Idealised Me refined as rotating group:
 C00V(H00A,H00B,H00C), C00X(H00D,H00E,H00F), C00Z(H00G,H00I,H00J), C010(H01A,
 H01B,H01C), C011(H01D,H01E,H01F), C1(H1A,H1B,H1C), C013(H01G,H01H,H01I),
 C014(H01J,H01K,H01L), C015(H01M,H01N,H01O)
;
_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 0.46643(3) 0.64131(3) 0.40854(3) 0.02716(13) Uani 1 1 d . . . . .
O2 O 0.4380(5) 0.4742(4) 0.3389(5) 0.0360(11) Uani 1 1 d . . . . .
O3 O 0.6429(4) 0.5225(4) 0.4023(5) 0.0384(12) Uani 1 1 d . . . . .
O1 O 0.5049(5) 0.3189(4) 0.4224(4) 0.0358(11) Uani 1 1 d . . . . .
O6 O 0.5890(5) 0.6641(5) 0.1961(5) 0.0463(13) Uani 1 1 d . . . . .
O4 O 0.7493(5) 0.3813(4) 0.4613(5) 0.0401(12) Uani 1 1 d . . . . .
N1 N 0.3486(5) 0.8452(5) 0.4522(6) 0.0336(13) Uani 1 1 d . . . . .
O5 O 0.6100(5) 0.7863(4) 0.3068(5) 0.0423(12) Uani 1 1 d . . . . .
C009 C 0.2674(6) 0.8870(6) 0.3974(6) 0.0309(15) Uani 1 1 d . . . . .
N2 N 0.3158(6) 0.7155(5) 0.2970(5) 0.0371(14) Uani 1 1 d . . . . .
C00B C 0.6296(7) 0.7536(7) 0.2047(7) 0.0389(18) Uani 1 1 d . . . . .
C00C C 0.4831(6) 0.3736(6) 0.3362(7) 0.0344(17) Uani 1 1 d . . . . .
C00D C 0.7479(6) 0.4740(6) 0.4038(6) 0.0335(16) Uani 1 1 d . . . . .
N4 N 0.0437(6) 1.1324(6) 0.3866(7) 0.0533(19) Uani 1 1 d . . . . .
H4 H 0.050865 1.173781 0.437442 0.064 Uiso 1 1 calc R U . . .
C00F C 0.2020(6) 0.9955(6) 0.4182(6) 0.0332(16) Uani 1 1 d . . . . .
C00G C 0.2499(6) 0.8175(6) 0.3152(6) 0.0304(15) Uani 1 1 d . . . . .
C00H C 0.2255(8) 0.6854(7) 0.1550(8) 0.049(2) Uani 1 1 d . . . . .
H00H H 0.219419 0.638280 0.101144 0.059 Uiso 1 1 calc R U . . .
C00I C 0.8709(7) 0.5303(7) 0.3387(8) 0.047(2) Uani 1 1 d . . . . .
N3 N 0.0198(6) 1.0010(6) 0.2192(7) 0.0539(19) Uani 1 1 d . . . . .
C00K C 0.5163(9) 0.3113(7) 0.2219(7) 0.047(2) Uani 1 1 d . . . . .
C00L C 0.3030(8) 0.6527(7) 0.2196(8) 0.046(2) Uani 1 1 d . . . . .
H00L H 0.348357 0.582404 0.207528 0.056 Uiso 1 1 calc R U . . .
C00M C 0.1130(7) 1.0331(6) 0.3591(7) 0.0413(19) Uani 1 1 d . . . . .
C00N C 0.3689(8) 0.9103(6) 0.5234(7) 0.0393(17) Uani 1 1 d . . . . .
H00N H 0.426846 0.883009 0.558879 0.047 Uiso 1 1 calc R U . . .
C00O C 0.6972(9) 0.8289(8) 0.0943(8) 0.056(2) Uani 1 1 d . . . . .
C00P C 0.2241(8) 1.0594(7) 0.4949(8) 0.048(2) Uani 1 1 d . . . . .
H00P H 0.182231 1.130733 0.510743 0.057 Uiso 1 1 calc R U . . .
C00Q C -0.0469(9) 1.0988(8) 0.2488(10) 0.063(3) Uani 1 1 d . . . . .
H00Q H -0.103864 1.124911 0.211847 0.075 Uiso 1 1 calc R U . . .
C00R C 0.0997(7) 0.9667(7) 0.2777(7) 0.0418(19) Uani 1 1 d . . . . .
C00S C 0.1695(6) 0.8578(6) 0.2529(7) 0.0382(17) Uani 1 1 d . . . . .
C00T C 0.3087(8) 1.0177(7) 0.5486(8) 0.049(2) Uani 1 1 d . . . . .
H00T H 0.325082 1.060364 0.600456 0.059 Uiso 1 1 calc R U . . .
C00U C -0.0366(7) 1.1632(7) 0.3307(10) 0.059(3) Uani 1 1 d . . . . .
H00U H -0.087206 1.230803 0.348073 0.071 Uiso 1 1 calc R U . . .
C00V C 0.4959(10) 0.3871(7) 0.1237(8) 0.058(2) Uani 1 1 d . . . . .
H00A H 0.405709 0.406715 0.144369 0.088 Uiso 1 1 calc R U . . .
H00B H 0.529714 0.348776 0.050789 0.088 Uiso 1 1 calc R U . . .
H00C H 0.539156 0.454191 0.113348 0.088 Uiso 1 1 calc R U . . .
C00W C 0.1582(7) 0.7891(7) 0.1726(8) 0.0445(19) Uani 1 1 d . . . . .
H00W H 0.105268 0.813069 0.130788 0.053 Uiso 1 1 calc R U . . .
C00X C 0.7660(14) 0.7563(12) -0.0135(11) 0.102(4) Uani 1 1 d . . . . .
H00D H 0.840594 0.715656 -0.005656 0.153 Uiso 1 1 calc R U . . .
H00E H 0.791368 0.803935 -0.085510 0.153 Uiso 1 1 calc R U . . .
H00F H 0.708879 0.704134 -0.016579 0.153 Uiso 1 1 calc R U . . .
C00Z C 0.8904(10) 0.5457(12) 0.2061(11) 0.093(4) Uani 1 1 d . . . . .
H00G H 0.903402 0.473239 0.173723 0.139 Uiso 1 1 calc R U . . .
H00I H 0.964114 0.587123 0.163709 0.139 Uiso 1 1 calc R U . . .
H00J H 0.815785 0.586214 0.198103 0.139 Uiso 1 1 calc R U . . .
C010 C 0.8537(10) 0.6446(8) 0.3910(13) 0.077(3) Uani 1 1 d . . . . .
H01A H 0.780776 0.687685 0.382190 0.116 Uiso 1 1 calc R U . . .
H01B H 0.929212 0.684111 0.349606 0.116 Uiso 1 1 calc R U . . .
H01C H 0.840234 0.633936 0.474142 0.116 Uiso 1 1 calc R U . . .
C011 C 0.7948(17) 0.8933(15) 0.1123(14) 0.145(8) Uani 1 1 d . . . . .
H01D H 0.752620 0.940523 0.178072 0.217 Uiso 1 1 calc R U . . .
H01E H 0.836291 0.939017 0.041226 0.217 Uiso 1 1 calc R U . . .
H01F H 0.857568 0.841404 0.128958 0.217 Uiso 1 1 calc R U . . .
C1 C 0.9860(8) 0.4612(8) 0.3526(12) 0.073(3) Uani 1 1 d . . . . .
H1A H 0.964345 0.434558 0.434477 0.110 Uiso 1 1 calc R U . . .
H1B H 1.056901 0.507312 0.329062 0.110 Uiso 1 1 calc R U . . .
H1C H 1.009364 0.398267 0.303078 0.110 Uiso 1 1 calc R U . . .
C013 C 0.4373(15) 0.2105(10) 0.2531(12) 0.095(4) Uani 1 1 d . . . . .
H01G H 0.447348 0.167772 0.320381 0.142 Uiso 1 1 calc R U . . .
H01H H 0.465868 0.164031 0.186090 0.142 Uiso 1 1 calc R U . . .
H01I H 0.348456 0.235678 0.272580 0.142 Uiso 1 1 calc R U . . .
C014 C 0.6581(11) 0.2695(11) 0.1824(10) 0.092(4) Uani 1 1 d . . . . .
H01J H 0.709646 0.332502 0.155087 0.138 Uiso 1 1 calc R U . . .
H01K H 0.679785 0.219831 0.118769 0.138 Uiso 1 1 calc R U . . .
H01L H 0.673841 0.229806 0.248553 0.138 Uiso 1 1 calc R U . . .
C015 C 0.5935(15) 0.9023(12) 0.0668(15) 0.125(6) Uani 1 1 d . . . . .
H01M H 0.537591 0.855693 0.052515 0.188 Uiso 1 1 calc R U . . .
H01N H 0.632053 0.950565 -0.002972 0.188 Uiso 1 1 calc R U . . .
H01O H 0.545016 0.947211 0.133216 0.188 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 O2 2.345(5) . ?
Dy1 O3 2.301(4) . ?
Dy1 O3 2.856(5) 2_666 ?
Dy1 O1 2.298(5) 2_666 ?
Dy1 O6 2.423(6) . ?
Dy1 O4 2.375(5) 2_666 ?
Dy1 N1 2.648(5) . ?
Dy1 O5 2.420(5) . ?
Dy1 N2 2.596(6) . ?
O2 C00C 1.254(8) . ?
O3 C00D 1.270(8) . ?
O1 C00C 1.272(9) . ?
O6 C00B 1.240(9) . ?
O4 C00D 1.257(9) . ?
N1 C009 1.358(9) . ?
N1 C00N 1.314(9) . ?
O5 C00B 1.266(10) . ?
C009 C00F 1.416(9) . ?
C009 C00G 1.440(10) . ?
N2 C00G 1.350(8) . ?
N2 C00L 1.317(10) . ?
C00B C00O 1.528(12) . ?
C00C C00K 1.537(11) . ?
C00D C00I 1.510(11) . ?
N4 H4 0.8600 . ?
N4 C00M 1.346(10) . ?
N4 C00U 1.332(12) . ?
C00F C00M 1.458(10) . ?
C00F C00P 1.368(11) . ?
C00G C00S 1.412(10) . ?
C00H H00H 0.9300 . ?
C00H C00L 1.389(11) . ?
C00H C00W 1.373(11) . ?
C00I C00Z 1.535(15) . ?
C00I C010 1.526(13) . ?
C00I C1 1.521(11) . ?
N3 C00Q 1.323(12) . ?
N3 C00R 1.359(10) . ?
C00K C00V 1.503(11) . ?
C00K C013 1.514(14) . ?
C00K C014 1.527(14) . ?
C00L H00L 0.9300 . ?
C00M C00R 1.386(12) . ?
C00N H00N 0.9300 . ?
C00N C00T 1.391(10) . ?
C00O C00X 1.537(16) . ?
C00O C011 1.505(15) . ?
C00O C015 1.509(15) . ?
C00P H00P 0.9300 . ?
C00P C00T 1.378(12) . ?
C00Q H00Q 0.9300 . ?
C00Q C00U 1.361(15) . ?
C00R C00S 1.443(10) . ?
C00S C00W 1.385(11) . ?
C00T H00T 0.9300 . ?
C00U H00U 0.9300 . ?
C00V H00A 0.9600 . ?
C00V H00B 0.9600 . ?
C00V H00C 0.9600 . ?
C00W H00W 0.9300 . ?
C00X H00D 0.9600 . ?
C00X H00E 0.9600 . ?
C00X H00F 0.9600 . ?
C00Z H00G 0.9600 . ?
C00Z H00I 0.9600 . ?
C00Z H00J 0.9600 . ?
C010 H01A 0.9600 . ?
C010 H01B 0.9600 . ?
C010 H01C 0.9600 . ?
C011 H01D 0.9600 . ?
C011 H01E 0.9600 . ?
C011 H01F 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C013 H01G 0.9600 . ?
C013 H01H 0.9600 . ?
C013 H01I 0.9600 . ?
C014 H01J 0.9600 . ?
C014 H01K 0.9600 . ?
C014 H01L 0.9600 . ?
C015 H01M 0.9600 . ?
C015 H01N 0.9600 . ?
C015 H01O 0.9600 . ?

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 O3 67.54(16) . 2_666 ?
O2 Dy1 O6 77.64(19) . . ?
O2 Dy1 O4 81.21(18) . 2_666 ?
O2 Dy1 N1 138.26(16) . . ?
O2 Dy1 O5 130.02(18) . . ?
O2 Dy1 N2 78.95(17) . . ?
O3 Dy1 O2 75.27(16) . . ?
O3 Dy1 O3 77.66(17) . 2_666 ?
O3 Dy1 O6 82.22(19) . . ?
O3 Dy1 O4 126.08(17) . 2_666 ?
O3 Dy1 N1 146.42(18) . . ?
O3 Dy1 O5 88.39(18) . . ?
O3 Dy1 N2 145.32(18) . . ?
O1 Dy1 O2 132.97(17) 2_666 . ?
O1 Dy1 O3 69.65(16) 2_666 2_666 ?
O1 Dy1 O3 77.49(17) 2_666 . ?
O1 Dy1 O6 134.95(19) 2_666 . ?
O1 Dy1 O4 84.88(18) 2_666 2_666 ?
O1 Dy1 N1 77.09(17) 2_666 . ?
O1 Dy1 O5 86.19(18) 2_666 . ?
O1 Dy1 N2 137.04(17) 2_666 . ?
O6 Dy1 O3 143.11(17) . 2_666 ?
O6 Dy1 N1 100.85(19) . . ?
O6 Dy1 N2 69.80(19) . . ?
O4 Dy1 O3 48.48(14) 2_666 2_666 ?
O4 Dy1 O6 138.32(18) 2_666 . ?
O4 Dy1 N1 72.72(18) 2_666 . ?
O4 Dy1 O5 141.09(17) 2_666 . ?
O4 Dy1 N2 71.15(19) 2_666 . ?
N1 Dy1 O3 113.01(16) . 2_666 ?
O5 Dy1 O3 154.10(16) . 2_666 ?
O5 Dy1 O6 53.21(18) . . ?
O5 Dy1 N1 68.37(18) . . ?
O5 Dy1 N2 90.75(19) . . ?
N2 Dy1 O3 113.13(18) . 2_666 ?
N2 Dy1 N1 62.16(18) . . ?
C00C O2 Dy1 136.9(4) . . ?
Dy1 O3 Dy1 102.34(17) . 2_666 ?
C00D O3 Dy1 83.1(4) . 2_666 ?
C00D O3 Dy1 168.6(5) . . ?
C00C O1 Dy1 137.4(4) . 2_666 ?
C00B O6 Dy1 93.4(5) . . ?
C00D O4 Dy1 106.3(4) . 2_666 ?
C009 N1 Dy1 120.0(4) . . ?
C00N N1 Dy1 122.1(4) . . ?
C00N N1 C009 117.9(6) . . ?
C00B O5 Dy1 92.8(5) . . ?
N1 C009 C00F 122.0(6) . . ?
N1 C009 C00G 117.7(6) . . ?
C00F C009 C00G 120.3(6) . . ?
C00G N2 Dy1 122.0(5) . . ?
C00L N2 Dy1 119.5(5) . . ?
C00L N2 C00G 118.5(6) . . ?
O6 C00B O5 119.9(8) . . ?
O6 C00B C00O 121.1(7) . . ?
O5 C00B C00O 118.9(8) . . ?
O2 C00C O1 124.1(6) . . ?
O2 C00C C00K 118.8(7) . . ?
O1 C00C C00K 117.0(6) . . ?
O3 C00D Dy1 72.0(4) . 2_666 ?
O3 C00D C00I 119.4(7) . . ?
O4 C00D Dy1 49.8(3) . 2_666 ?
O4 C00D O3 120.4(6) . . ?
O4 C00D C00I 120.2(6) . . ?
C00I C00D Dy1 162.9(5) . 2_666 ?
C00M N4 H4 121.8 . . ?
C00U N4 H4 121.8 . . ?
C00U N4 C00M 116.4(8) . . ?
C009 C00F C00M 118.8(7) . . ?
C00P C00F C009 118.1(7) . . ?
C00P C00F C00M 123.1(7) . . ?
N2 C00G C009 118.1(6) . . ?
N2 C00G C00S 121.6(7) . . ?
C00S C00G C009 120.3(6) . . ?
C00L C00H H00H 120.8 . . ?
C00W C00H H00H 120.8 . . ?
C00W C00H C00L 118.4(8) . . ?
C00D C00I C00Z 107.8(7) . . ?
C00D C00I C010 107.1(7) . . ?
C00D C00I C1 112.0(7) . . ?
C010 C00I C00Z 110.3(9) . . ?
C1 C00I C00Z 109.8(9) . . ?
C1 C00I C010 109.9(8) . . ?
C00Q N3 C00R 115.4(9) . . ?
C00V C00K C00C 112.0(6) . . ?
C00V C00K C013 112.1(8) . . ?
C00V C00K C014 109.2(8) . . ?
C013 C00K C00C 108.1(8) . . ?
C013 C00K C014 108.7(9) . . ?
C014 C00K C00C 106.6(7) . . ?
N2 C00L C00H 123.7(7) . . ?
N2 C00L H00L 118.1 . . ?
C00H C00L H00L 118.1 . . ?
N4 C00M C00F 118.5(8) . . ?
N4 C00M C00R 121.2(7) . . ?
C00R C00M C00F 120.3(6) . . ?
N1 C00N H00N 118.1 . . ?
N1 C00N C00T 123.7(7) . . ?
C00T C00N H00N 118.1 . . ?
C00B C00O C00X 109.6(8) . . ?
C011 C00O C00B 111.4(8) . . ?
C011 C00O C00X 108.6(11) . . ?
C011 C00O C015 114.1(12) . . ?
C015 C00O C00B 106.8(9) . . ?
C015 C00O C00X 106.2(10) . . ?
C00F C00P H00P 120.1 . . ?
C00F C00P C00T 119.8(7) . . ?
C00T C00P H00P 120.1 . . ?
N3 C00Q H00Q 118.3 . . ?
N3 C00Q C00U 123.4(9) . . ?
C00U C00Q H00Q 118.3 . . ?
N3 C00R C00M 121.5(7) . . ?
N3 C00R C00S 117.4(8) . . ?
C00M C00R C00S 121.1(6) . . ?
C00G C00S C00R 119.1(7) . . ?
C00W C00S C00G 118.3(7) . . ?
C00W C00S C00R 122.6(7) . . ?
C00N C00T H00T 120.8 . . ?
C00P C00T C00N 118.5(8) . . ?
C00P C00T H00T 120.8 . . ?
N4 C00U C00Q 122.0(8) . . ?
N4 C00U H00U 119.0 . . ?
C00Q C00U H00U 119.0 . . ?
C00K C00V H00A 109.5 . . ?
C00K C00V H00B 109.5 . . ?
C00K C00V H00C 109.5 . . ?
H00A C00V H00B 109.5 . . ?
H00A C00V H00C 109.5 . . ?
H00B C00V H00C 109.5 . . ?
C00H C00W C00S 119.6(7) . . ?
C00H C00W H00W 120.2 . . ?
C00S C00W H00W 120.2 . . ?
C00O C00X H00D 109.5 . . ?
C00O C00X H00E 109.5 . . ?
C00O C00X H00F 109.5 . . ?
H00D C00X H00E 109.5 . . ?
H00D C00X H00F 109.5 . . ?
H00E C00X H00F 109.5 . . ?
C00I C00Z H00G 109.5 . . ?
C00I C00Z H00I 109.5 . . ?
C00I C00Z H00J 109.5 . . ?
H00G C00Z H00I 109.5 . . ?
H00G C00Z H00J 109.5 . . ?
H00I C00Z H00J 109.5 . . ?
C00I C010 H01A 109.5 . . ?
C00I C010 H01B 109.5 . . ?
C00I C010 H01C 109.5 . . ?
H01A C010 H01B 109.5 . . ?
H01A C010 H01C 109.5 . . ?
H01B C010 H01C 109.5 . . ?
C00O C011 H01D 109.5 . . ?
C00O C011 H01E 109.5 . . ?
C00O C011 H01F 109.5 . . ?
H01D C011 H01E 109.5 . . ?
H01D C011 H01F 109.5 . . ?
H01E C011 H01F 109.5 . . ?
C00I C1 H1A 109.5 . . ?
C00I C1 H1B 109.5 . . ?
C00I C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C00K C013 H01G 109.5 . . ?
C00K C013 H01H 109.5 . . ?
C00K C013 H01I 109.5 . . ?
H01G C013 H01H 109.5 . . ?
H01G C013 H01I 109.5 . . ?
H01H C013 H01I 109.5 . . ?
C00K C014 H01J 109.5 . . ?
C00K C014 H01K 109.5 . . ?
C00K C014 H01L 109.5 . . ?
H01J C014 H01K 109.5 . . ?
H01J C014 H01L 109.5 . . ?
H01K C014 H01L 109.5 . . ?
C00O C015 H01M 109.5 . . ?
C00O C015 H01N 109.5 . . ?
C00O C015 H01O 109.5 . . ?
H01M C015 H01N 109.5 . . ?
H01M C015 H01O 109.5 . . ?
H01N C015 H01O 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 C00C O1 41.5(11) . . . . ?
Dy1 O2 C00C C00K -137.7(6) . . . . ?
Dy1 O3 C00D Dy1 119(2) . . . 2_666 ?
Dy1 O3 C00D O4 131(2) . . . . ?
Dy1 O3 C00D O4 12.3(6) 2_666 . . . ?
Dy1 O3 C00D C00I -166.0(7) 2_666 . . . ?
Dy1 O3 C00D C00I -47(3) . . . . ?
Dy1 O1 C00C O2 -19.6(11) 2_666 . . . ?
Dy1 O1 C00C C00K 159.7(6) 2_666 . . . ?
Dy1 O6 C00B O5 8.7(7) . . . . ?
Dy1 O6 C00B C00O -168.0(7) . . . . ?
Dy1 O4 C00D O3 -15.4(8) 2_666 . . . ?
Dy1 O4 C00D C00I 162.9(6) 2_666 . . . ?
Dy1 N1 C009 C00F 179.8(5) . . . . ?
Dy1 N1 C009 C00G -0.7(8) . . . . ?
Dy1 N1 C00N C00T -179.9(6) . . . . ?
Dy1 O5 C00B O6 -8.7(7) . . . . ?
Dy1 O5 C00B C00O 168.0(6) . . . . ?
Dy1 N2 C00G C009 1.5(8) . . . . ?
Dy1 N2 C00G C00S 179.1(5) . . . . ?
Dy1 N2 C00L C00H -179.5(7) . . . . ?
Dy1 C00D C00I C00Z 171.0(14) 2_666 . . . ?
Dy1 C00D C00I C010 -70.3(18) 2_666 . . . ?
Dy1 C00D C00I C1 50(2) 2_666 . . . ?
O2 C00C C00K C00V 3.7(11) . . . . ?
O2 C00C C00K C013 -120.3(9) . . . . ?
O2 C00C C00K C014 123.0(8) . . . . ?
O3 C00D C00I C00Z -60.4(10) . . . . ?
O3 C00D C00I C010 58.2(10) . . . . ?
O3 C00D C00I C1 178.7(8) . . . . ?
O1 C00C C00K C00V -175.6(7) . . . . ?
O1 C00C C00K C013 60.4(10) . . . . ?
O1 C00C C00K C014 -56.3(10) . . . . ?
O6 C00B C00O C00X -29.7(12) . . . . ?
O6 C00B C00O C011 -149.9(11) . . . . ?
O6 C00B C00O C015 84.9(11) . . . . ?
O4 C00D C00I C00Z 121.3(9) . . . . ?
O4 C00D C00I C010 -120.1(8) . . . . ?
O4 C00D C00I C1 0.5(11) . . . . ?
N1 C009 C00F C00M -178.0(6) . . . . ?
N1 C009 C00F C00P 1.0(10) . . . . ?
N1 C009 C00G N2 -0.4(9) . . . . ?
N1 C009 C00G C00S -178.1(6) . . . . ?
N1 C00N C00T C00P -0.9(13) . . . . ?
O5 C00B C00O C00X 153.6(9) . . . . ?
O5 C00B C00O C011 33.4(14) . . . . ?
O5 C00B C00O C015 -91.8(11) . . . . ?
C009 N1 C00N C00T 2.3(11) . . . . ?
C009 C00F C00M N4 174.8(7) . . . . ?
C009 C00F C00M C00R -4.4(11) . . . . ?
C009 C00F C00P C00T 0.4(11) . . . . ?
C009 C00G C00S C00R -3.5(10) . . . . ?
C009 C00G C00S C00W 178.4(7) . . . . ?
N2 C00G C00S C00R 178.9(7) . . . . ?
N2 C00G C00S C00W 0.8(11) . . . . ?
N4 C00M C00R N3 2.4(12) . . . . ?
N4 C00M C00R C00S -176.9(7) . . . . ?
C00F C009 C00G N2 179.0(6) . . . . ?
C00F C009 C00G C00S 1.3(10) . . . . ?
C00F C00M C00R N3 -178.3(7) . . . . ?
C00F C00M C00R C00S 2.3(11) . . . . ?
C00F C00P C00T C00N -0.4(12) . . . . ?
C00G C009 C00F C00M 2.6(10) . . . . ?
C00G C009 C00F C00P -178.5(7) . . . . ?
C00G N2 C00L C00H 0.2(13) . . . . ?
C00G C00S C00W C00H -0.6(12) . . . . ?
N3 C00Q C00U N4 0.8(15) . . . . ?
N3 C00R C00S C00G -177.7(7) . . . . ?
N3 C00R C00S C00W 0.3(11) . . . . ?
C00L N2 C00G C009 -178.2(7) . . . . ?
C00L N2 C00G C00S -0.5(11) . . . . ?
C00L C00H C00W C00S 0.3(13) . . . . ?
C00M N4 C00U C00Q -1.0(12) . . . . ?
C00M C00F C00P C00T 179.3(7) . . . . ?
C00M C00R C00S C00G 1.7(11) . . . . ?
C00M C00R C00S C00W 179.7(8) . . . . ?
C00N N1 C009 C00F -2.3(10) . . . . ?
C00N N1 C009 C00G 177.2(7) . . . . ?
C00P C00F C00M N4 -4.0(11) . . . . ?
C00P C00F C00M C00R 176.7(7) . . . . ?
C00Q N3 C00R C00M -2.5(12) . . . . ?
C00Q N3 C00R C00S 176.8(8) . . . . ?
C00R N3 C00Q C00U 1.0(14) . . . . ?
C00R C00S C00W C00H -178.7(8) . . . . ?
C00U N4 C00M C00F -179.8(7) . . . . ?
C00U N4 C00M C00R -0.6(11) . . . . ?
C00W C00H C00L N2 -0.1(14) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
