# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
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data_20211020-lfp-lyl-101202_sq
_database_code_depnum_ccdc_archive 'CCDC 2194449'
loop_
_audit_author_name
_audit_author_address
'Zhong-Hong Zhu'
;Guangxi Normal University
China
;
_audit_update_record             
;
2022-09-06 deposited with the CCDC.	2022-09-25 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT430_20211020-lfp-lyl-101202_sq 
;
PROBLEM: _ALERT_2_A Short Inter D...A Contact O4AA ..O4AA . 2.03 Ang. 
RESPONSE: All such alerts generally involve disordered atoms 
and/or partially occupied sites.
;
_vrf_PLAT306_20211020-lfp-lyl-101202_sq 
;
PROBLEM: ALERT_2_B Isolated Oxygen Atom (H-atoms Missing ?) ....... O4AA Check
RESPONSE: The oxygen atom is assigned to be adisordered water molecule.
Consequently, no particular effort has been applied to 
determine possible hydrogen atom position.
;
_vrf_PLAT420_20211020-lfp-lyl-101202_sq 
;
PROBLEM: ALERT_2_B D-H Bond Without Acceptor O10 --H10 . Please Check 
RESPONSE: This problem may arise from the disordered nature of O10 and H10 atoms.
;
# Added during the CSD deposition process: Sunday August 28 2022 09:36 AM
# end Validation Reply Form


_audit_creation_date             2022-07-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C120 H92 Dy4 N16 O33, 2(Cl), 2(C H3 O2), 2(O)'
_chemical_formula_sum            'C122 H116 Cl2 Dy4 N16 O39'
_chemical_formula_weight         3151.20
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C120 H112 Dy8 N84 O102 '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           23
_space_group_name_H-M_alt        'I 2 2 2'
_space_group_name_Hall           'I 2 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x, -y, -z'
'-x, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'

_cell_length_a                   17.8403(2)
_cell_length_b                   21.5396(2)
_cell_length_c                   16.8287(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6466.81(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    15347
_cell_measurement_temperature    99.97(10)
_cell_measurement_theta_max      74.8680
_cell_measurement_theta_min      3.2040
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    13.266
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65962
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3140
_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  0.0363
_diffrn_reflns_av_unetI/netI     0.0311
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22022
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.679
_diffrn_reflns_theta_min         3.217
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.97(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     21.00  67.00   0.50    0.30    --   43.18  57.00 -30.00   92
  2  ω     85.00 110.00   0.50    0.30    --   43.18  57.00 -30.00   50
  3  ω     79.00 174.00   0.50    1.20    --  109.26  80.00 -22.00  190
  4  ω    114.00 167.00   0.50    1.20    --  109.26  61.00 -60.00  106
  5  ω     37.00 105.00   0.50    1.20    --  109.26 -94.00-180.00  136
  6  ω     38.00  93.00   0.50    0.30    --   43.18-125.00-150.00  110
  7  ω     42.00  98.00   0.50    1.20    --  109.26 -94.00   0.00  112
  8  ω     64.00  98.00   0.50    1.20    --  109.26 -94.00 150.00   68
  9  ω     73.00 106.00   0.50    1.20    --  109.26 -77.00   0.00   66
 10  ω     35.00 101.00   0.50    1.20    --  109.26 -77.00  90.00  132
 11  ω     35.00  60.00   0.50    1.20    --  109.26 -61.00 120.00   50
 12  ω     38.00  70.00   0.50    1.20    --  109.26 -61.00  90.00   64
 13  ω     36.00  70.00   0.50    1.20    --  109.26 -61.00   0.00   68
 14  ω     97.00 122.00   0.50    1.20    --  109.26 125.00  30.00   50
 15  ω    111.00 166.00   0.50    1.20    --  109.26 113.00  57.00  110
 16  ω    126.00 176.00   0.50    1.20    --  109.26 125.00  30.00  100
 17  ω    -82.00  -4.00   0.50    0.30    --  -43.18 113.00  57.00  156
 18  ω    -83.00 -15.00   0.50    1.20    --  -90.25 113.00  57.00  136
 19  ω   -120.00 -16.00   0.50    1.20    --  -90.25  80.00 -22.00  208
 20  ω    -26.00  37.00   0.50    0.30    --  -43.18  19.00 -90.00  126
 21  ω   -163.00-102.00   0.50    1.20    --  -90.25 -43.00  42.00  122
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0071974000
_diffrn_orient_matrix_UB_12      0.0183553000
_diffrn_orient_matrix_UB_13      -0.0881423000
_diffrn_orient_matrix_UB_21      -0.0736236000
_diffrn_orient_matrix_UB_22      -0.0344812000
_diffrn_orient_matrix_UB_23      -0.0184835000
_diffrn_orient_matrix_UB_31      -0.0445681000
_diffrn_orient_matrix_UB_32      0.0599220000
_diffrn_orient_matrix_UB_33      0.0163070000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.785
_reflns_Friedel_fraction_full    0.990
_reflns_Friedel_fraction_max     0.937
_reflns_number_gt                6334
_reflns_number_total             6499
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         3.607
_refine_diff_density_min         -1.888
_refine_diff_density_rms         0.199
_refine_ls_abs_structure_details 
;
 Flack x determined using 2589 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.006(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         6499
_refine_ls_number_restraints     648
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0569
_refine_ls_restrained_S_all      1.084
_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)+(0.1035P)²+63.1508P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1571
_refine_ls_wR_factor_ref         0.1580
_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 O(H) groups
2. Restrained distances
 O10-C31
 1.3 with sigma of 0.02
3. Rigid bond restraints
 C17, C18, C19, C16
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C24 \\sim C27 \\sim C29 \\sim C23 \\sim C6 \\sim C30 \\sim C8 \\sim C25 \\sim
C28 \\sim C7 \\sim C26 \\sim C5 \\sim C1 \\sim C9 \\sim C22 \\sim C4 \\sim C10
\\sim C11 \\sim C15 \\sim C12 \\sim C13 \\sim C14 \\sim C3 \\sim C2 \\sim C18
\\sim C19 \\sim C20 \\sim C21 \\sim C16 \\sim C17: within 3.8A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 3.8A
Uanis(C2) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O10) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O4AA) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C18) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C16)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O1) \\sim Ueq, Uanis(O3) \\sim Ueq, Uanis(O8) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.002
Uanis(O5) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
5.a Aromatic/amide H refined with riding coordinates:
 N16(H16), C30(H30), C25(H25), C28(H28), C26(H26), C9(H9), C15(H15), C12(H12),
 C13(H13), C2(H2), C3(H3a), C4(H4), C5(H5a), C1(H1a), C18(H18), C19(H19),
 C20(H20), C16(H16a), C17(H17), C31(H31)
5.b Fitted hexagon refined as free rotating group:
 C2(C3,C4,C5,C6,C1), C18(C19,C20,C21,C16,C17)
5.c Idealised tetrahedral OH refined as rotating group:
 O1(H1), O5(H5), O3(H3), O8(H8), O10(H10)
;
_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
Dy6 Dy 0.90026(2) 0.00106(3) 0.39458(2) 0.01459(18) Uani 1 1 d . . . . .
O4 O 0.9957(4) 0.0675(2) 0.3649(3) 0.0172(11) Uani 1 1 d . . . . .
O7 O 0.8713(3) 0.0682(2) 0.5046(5) 0.0188(11) Uani 1 1 d . . . . .
O9 O 1.000000 0.000000 0.500000 0.023(2) Uani 1 4 d S T P . .
C24 C 0.8265(5) 0.1181(4) 0.5014(7) 0.0239(15) Uani 1 1 d . U . . .
O2 O 0.8483(4) -0.0750(3) 0.3054(4) 0.0197(13) Uani 1 1 d . . . . .
O6 O 0.8179(4) 0.0786(3) 0.3376(4) 0.0189(13) Uani 1 1 d . . . . .
N6 N 0.7546(5) -0.0167(3) 0.4084(5) 0.0235(17) Uani 1 1 d . . . . .
O1 O 0.8289(5) -0.1129(5) 0.1029(6) 0.046(2) Uani 1 1 d . U . . .
H1 H 0.864194 -0.134031 0.087394 0.070 Uiso 1 1 calc R U . . .
N13 N 0.7110(5) 0.0294(4) 0.3743(5) 0.0247(17) Uani 1 1 d . . . . .
C27 C 0.7288(7) 0.2203(5) 0.4803(6) 0.037(2) Uani 1 1 d . U . . .
N16 N 0.8823(5) -0.0259(4) 0.1927(5) 0.0292(19) Uani 1 1 d . . . . .
H16 H 0.882279 -0.023974 0.141638 0.035 Uiso 1 1 calc R U . . .
C29 C 0.7529(6) 0.1184(5) 0.5323(6) 0.0271(17) Uani 1 1 d . U . . .
C23 C 0.7488(6) 0.0769(5) 0.3410(6) 0.0298(18) Uani 1 1 d . U . . .
C30 C 0.7187(6) 0.0652(5) 0.5717(6) 0.0281(18) Uani 1 1 d . U . . .
H30 H 0.667685 0.066908 0.582892 0.034 Uiso 1 1 calc R U . . .
C8 C 0.8504(6) -0.0724(5) 0.2323(6) 0.0257(18) Uani 1 1 d . U . . .
C25 C 0.8505(6) 0.1735(4) 0.4646(6) 0.0271(17) Uani 1 1 d . U . . .
H25 H 0.899614 0.176344 0.446429 0.033 Uiso 1 1 calc R U . . .
C28 C 0.7051(7) 0.1689(5) 0.5193(6) 0.0345(19) Uani 1 1 d . U . . .
H28 H 0.656017 0.167146 0.537797 0.041 Uiso 1 1 calc R U . . .
C7 C 0.8164(6) -0.1242(5) 0.1826(7) 0.034(2) Uani 1 1 d . U . . .
C26 C 0.8033(7) 0.2236(5) 0.4549(7) 0.035(2) Uani 1 1 d . U . . .
H26 H 0.821049 0.259719 0.431207 0.042 Uiso 1 1 calc R U . . .
O5 O 0.6268(5) 0.1210(4) 0.3353(5) 0.0397(18) Uani 1 1 d . U . . .
H5 H 0.599910 0.149074 0.319003 0.060 Uiso 1 1 calc R U . . .
N4 N 0.9158(4) 0.0195(3) 0.2397(5) 0.0199(16) Uani 1 1 d . . . . .
C9 C 0.9402(6) 0.0677(5) 0.2013(6) 0.0280(17) Uani 1 1 d . U . . .
H9 H 0.933772 0.069073 0.146467 0.034 Uiso 1 1 calc R U . . .
C22 C 0.7005(7) 0.1282(6) 0.3037(8) 0.039(2) Uani 1 1 d . U . . .
C10 C 0.9767(5) 0.1192(4) 0.2399(5) 0.0211(16) Uani 1 1 d . U . . .
C11 C 1.0005(7) 0.1186(3) 0.3195(4) 0.0190(13) Uani 1 1 d . U . . .
C15 C 0.9906(6) 0.1725(4) 0.1924(5) 0.0236(16) Uani 1 1 d . U . . .
H15 H 0.975973 0.172571 0.139384 0.028 Uiso 1 1 calc R U . . .
O3 O 1.0411(4) 0.2749(3) 0.1765(4) 0.0254(14) Uani 1 1 d . U . . .
H3 H 1.030876 0.267439 0.129968 0.038 Uiso 1 1 calc R U . . .
C12 C 1.0355(6) 0.1724(4) 0.3492(6) 0.0209(16) Uani 1 1 d . U . . .
H12 H 1.050483 0.173344 0.402134 0.025 Uiso 1 1 calc R U . . .
C13 C 1.0484(5) 0.2237(4) 0.3023(5) 0.0210(16) Uani 1 1 d . U . . .
H13 H 1.072510 0.258391 0.323035 0.025 Uiso 1 1 calc R U . . .
C14 C 1.0248(5) 0.2231(4) 0.2231(6) 0.0226(16) Uani 1 1 d . U . . .
C2 C 0.6088(4) -0.0882(4) 0.1890(7) 0.060(3) Uani 1 1 d G U . . .
H2 H 0.576019 -0.058560 0.168803 0.072 Uiso 1 1 calc R U . . .
C3 C 0.5816(4) -0.1362(5) 0.2361(7) 0.060(3) Uani 1 1 d G U . . .
H3A H 0.530652 -0.138626 0.247482 0.072 Uiso 1 1 calc R U . . .
C4 C 0.6305(5) -0.1805(4) 0.2663(6) 0.055(3) Uani 1 1 d G U . . .
H4 H 0.612345 -0.212611 0.297857 0.065 Uiso 1 1 calc R U . . .
C5 C 0.7067(4) -0.1769(4) 0.2494(6) 0.046(2) Uani 1 1 d G U . . .
H5A H 0.739405 -0.206532 0.269552 0.056 Uiso 1 1 calc R U . . .
C6 C 0.7338(3) -0.1289(4) 0.2022(6) 0.040(2) Uani 1 1 d G U . . .
C1 C 0.6849(5) -0.0846(4) 0.1720(6) 0.051(2) Uani 1 1 d G U . . .
H1A H 0.703081 -0.052481 0.140497 0.061 Uiso 1 1 calc R U . . .
O8 O 0.6814(6) 0.2692(5) 0.4657(7) 0.051(2) Uani 1 1 d . U . . .
H8 H 0.697912 0.300630 0.486944 0.077 Uiso 1 1 calc R U . . .
Cl1 Cl 1.000000 0.26179(19) 0.000000 0.0503(9) Uani 1 2 d S TU P . .
O10 O 0.5553(14) 0.0016(15) 0.3889(14) 0.167(9) Uani 1 1 d D U . . .
H10 H 0.543118 0.026762 0.423204 0.251 Uiso 1 1 calc R U . . .
O4AA O 0.9432(4) 0.000000 0.000000 0.0177(14) Uani 1 2 d S TU P . .
C18 C 0.7103(7) 0.0933(6) 0.0517(5) 0.077(3) Uani 1 1 d G U . . .
H18 H 0.712418 0.084584 -0.002352 0.093 Uiso 1 1 calc R U . . .
C19 C 0.6437(6) 0.0849(6) 0.0932(6) 0.073(3) Uani 1 1 d G U . . .
H19 H 0.601247 0.070612 0.066901 0.088 Uiso 1 1 calc R U . . .
C20 C 0.6405(5) 0.0980(6) 0.1740(6) 0.060(3) Uani 1 1 d G U . . .
H20 H 0.595966 0.092402 0.201793 0.072 Uiso 1 1 calc R U . . .
C21 C 0.7040(6) 0.1194(5) 0.2134(4) 0.052(2) Uani 1 1 d G U . . .
C16 C 0.7706(5) 0.1278(6) 0.1719(6) 0.063(2) Uani 1 1 d G U . . .
H16A H 0.813028 0.142135 0.198184 0.076 Uiso 1 1 calc R U . . .
C17 C 0.7737(5) 0.1147(6) 0.0911(6) 0.072(3) Uani 1 1 d G U . . .
H17 H 0.818310 0.120346 0.063291 0.087 Uiso 1 1 calc R U . . .
C31 C 0.500000 0.000000 0.3292(15) 0.106(11) Uani 1 2 d DS T P . .
H31 H 0.499999 0.000000 0.273897 0.127 Uiso 1 2 calc R U P . .


_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
Dy6 Dy6 3.5590(8) 2_755 ?
Dy6 Dy6 3.5485(8) 3_556 ?
Dy6 O4 2.280(7) . ?
Dy6 O4 2.423(7) 2_755 ?
Dy6 O7 2.317(7) 3_556 ?
Dy6 O7 2.405(7) . ?
Dy6 O9 2.5128(4) . ?
Dy6 O2 2.407(6) . ?
Dy6 O6 2.423(6) . ?
Dy6 N6 2.637(9) . ?
Dy6 N4 2.651(8) . ?
O4 C11 1.344(9) . ?
O7 C24 1.341(10) . ?
C24 C29 1.413(14) . ?
C24 C25 1.411(13) . ?
O2 C8 1.232(12) . ?
O6 C23 1.234(13) . ?
N6 N13 1.385(11) . ?
N6 C30 1.272(13) 3_556 ?
O1 H1 0.8200 . ?
O1 C7 1.382(15) . ?
N13 C23 1.347(14) . ?
C27 C28 1.355(16) . ?
C27 C26 1.398(17) . ?
C27 O8 1.373(14) . ?
N16 H16 0.8600 . ?
N16 C8 1.332(13) . ?
N16 N4 1.391(11) . ?
C29 C30 1.457(15) . ?
C29 C28 1.399(14) . ?
C23 C22 1.535(14) . ?
C30 H30 0.9300 . ?
C8 C7 1.522(14) . ?
C25 H25 0.9300 . ?
C25 C26 1.378(14) . ?
C28 H28 0.9300 . ?
C7 C6 1.513(13) . ?
C26 H26 0.9300 . ?
O5 H5 0.8200 . ?
O5 C22 1.427(15) . ?
N4 C9 1.298(13) . ?
C9 H9 0.9300 . ?
C9 C10 1.440(13) . ?
C22 C21 1.533(15) . ?
C10 C11 1.406(12) . ?
C10 C15 1.421(12) . ?
C11 C12 1.408(12) . ?
C15 H15 0.9300 . ?
C15 C14 1.352(13) . ?
O3 H3 0.8200 . ?
O3 C14 1.395(11) . ?
C12 H12 0.9300 . ?
C12 C13 1.378(13) . ?
C13 H13 0.9300 . ?
C13 C14 1.397(13) . ?
C2 H2 0.9300 . ?
C2 C3 1.3900 . ?
C2 C1 1.3900 . ?
C3 H3A 0.9300 . ?
C3 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C5 1.3900 . ?
C5 H5A 0.9300 . ?
C5 C6 1.3900 . ?
C6 C1 1.3900 . ?
C1 H1A 0.9300 . ?
O8 H8 0.8200 . ?
O10 H10 0.8200 . ?
O10 C31 1.41(2) . ?
C18 H18 0.9300 . ?
C18 C19 1.3900 . ?
C18 C17 1.3900 . ?
C19 H19 0.9300 . ?
C19 C20 1.3900 . ?
C20 H20 0.9300 . ?
C20 C21 1.3900 . ?
C21 C16 1.3900 . ?
C16 H16A 0.9300 . ?
C16 C17 1.3900 . ?
C17 H17 0.9300 . ?
C31 H31 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
Dy6 Dy6 Dy6 90.0 3_556 2_755 ?
O4 Dy6 Dy6 103.13(13) . 3_556 ?
O4 Dy6 Dy6 42.35(16) . 2_755 ?
O4 Dy6 Dy6 101.43(13) 2_755 3_556 ?
O4 Dy6 Dy6 39.33(15) 2_755 2_755 ?
O4 Dy6 O4 76.4(2) . 2_755 ?
O4 Dy6 O7 87.2(2) . . ?
O4 Dy6 O7 137.0(2) . 3_556 ?
O4 Dy6 O9 66.28(13) 2_755 . ?
O4 Dy6 O9 68.36(15) . . ?
O4 Dy6 O2 125.3(2) . . ?
O4 Dy6 O6 143.4(2) 2_755 . ?
O4 Dy6 O6 86.2(2) . . ?
O4 Dy6 N6 133.2(2) 2_755 . ?
O4 Dy6 N6 147.8(2) . . ?
O4 Dy6 N4 67.2(2) . . ?
O4 Dy6 N4 79.0(2) 2_755 . ?
O7 Dy6 Dy6 102.39(14) 3_556 2_755 ?
O7 Dy6 Dy6 102.85(14) . 2_755 ?
O7 Dy6 Dy6 40.35(15) . 3_556 ?
O7 Dy6 Dy6 42.24(17) 3_556 3_556 ?
O7 Dy6 O4 133.56(19) . 2_755 ?
O7 Dy6 O4 85.9(2) 3_556 2_755 ?
O7 Dy6 O7 77.0(2) 3_556 . ?
O7 Dy6 O9 68.60(16) 3_556 . ?
O7 Dy6 O9 67.29(14) . . ?
O7 Dy6 O2 143.7(2) . . ?
O7 Dy6 O2 86.1(2) 3_556 . ?
O7 Dy6 O6 76.1(2) . . ?
O7 Dy6 O6 126.8(2) 3_556 . ?
O7 Dy6 N6 67.8(2) 3_556 . ?
O7 Dy6 N6 78.9(2) . . ?
O7 Dy6 N4 147.1(2) 3_556 . ?
O7 Dy6 N4 133.6(2) . . ?
O9 Dy6 Dy6 45.082(9) . 3_556 ?
O9 Dy6 Dy6 44.914(9) . 2_755 ?
O9 Dy6 N6 129.38(17) . . ?
O9 Dy6 N4 128.44(17) . . ?
O2 Dy6 Dy6 112.09(16) . 2_755 ?
O2 Dy6 Dy6 127.92(16) . 3_556 ?
O2 Dy6 O4 75.6(2) . 2_755 ?
O2 Dy6 O9 134.95(16) . . ?
O2 Dy6 O6 89.4(2) . . ?
O2 Dy6 N6 65.0(2) . . ?
O2 Dy6 N4 61.9(2) . . ?
O6 Dy6 Dy6 113.88(15) . 3_556 ?
O6 Dy6 Dy6 127.99(15) . 2_755 ?
O6 Dy6 O9 135.68(15) . . ?
O6 Dy6 N6 62.4(2) . . ?
O6 Dy6 N4 64.6(2) . . ?
N6 Dy6 Dy6 169.61(16) . 2_755 ?
N6 Dy6 Dy6 84.85(17) . 3_556 ?
N6 Dy6 N4 102.2(2) . . ?
N4 Dy6 Dy6 84.12(17) . 2_755 ?
N4 Dy6 Dy6 170.09(15) . 3_556 ?
Dy6 O4 Dy6 98.33(19) . 2_755 ?
C11 O4 Dy6 133.3(7) . . ?
C11 O4 Dy6 124.6(7) . 2_755 ?
Dy6 O7 Dy6 97.41(19) 3_556 . ?
C24 O7 Dy6 132.8(7) . 3_556 ?
C24 O7 Dy6 125.4(7) . . ?
Dy6 O9 Dy6 90.173(18) . 2_755 ?
Dy6 O9 Dy6 178.96(2) . 4_756 ?
Dy6 O9 Dy6 89.837(18) 4_756 2_755 ?
Dy6 O9 Dy6 178.95(2) 2_755 3_556 ?
Dy6 O9 Dy6 90.172(18) 4_756 3_556 ?
Dy6 O9 Dy6 89.836(18) . 3_556 ?
O7 C24 C29 122.9(8) . . ?
O7 C24 C25 121.1(9) . . ?
C25 C24 C29 116.1(8) . . ?
C8 O2 Dy6 125.4(6) . . ?
C23 O6 Dy6 124.6(6) . . ?
N13 N6 Dy6 114.4(6) . . ?
C30 N6 Dy6 129.7(7) 3_556 . ?
C30 N6 N13 114.6(9) 3_556 . ?
C7 O1 H1 109.5 . . ?
C23 N13 N6 115.8(8) . . ?
C28 C27 C26 119.1(10) . . ?
C28 C27 O8 121.4(11) . . ?
O8 C27 C26 119.5(10) . . ?
C8 N16 H16 122.4 . . ?
C8 N16 N4 115.3(8) . . ?
N4 N16 H16 122.4 . . ?
C24 C29 C30 123.6(9) . . ?
C28 C29 C24 120.8(10) . . ?
C28 C29 C30 115.3(10) . . ?
O6 C23 N13 122.7(9) . . ?
O6 C23 C22 121.4(10) . . ?
N13 C23 C22 115.8(10) . . ?
N6 C30 C29 123.8(10) 3_556 . ?
N6 C30 H30 118.1 3_556 . ?
C29 C30 H30 118.1 . . ?
O2 C8 N16 123.2(9) . . ?
O2 C8 C7 120.2(9) . . ?
N16 C8 C7 116.6(9) . . ?
C24 C25 H25 119.0 . . ?
C26 C25 C24 121.9(10) . . ?
C26 C25 H25 119.0 . . ?
C27 C28 C29 121.4(11) . . ?
C27 C28 H28 119.3 . . ?
C29 C28 H28 119.3 . . ?
O1 C7 C8 109.8(9) . . ?
O1 C7 C6 112.4(9) . . ?
C6 C7 C8 108.5(9) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 C27 120.4(10) . . ?
C25 C26 H26 119.8 . . ?
C22 O5 H5 109.5 . . ?
N16 N4 Dy6 114.2(6) . . ?
C9 N4 Dy6 130.1(6) . . ?
C9 N4 N16 115.0(8) . . ?
N4 C9 H9 118.6 . . ?
N4 C9 C10 122.9(9) . . ?
C10 C9 H9 118.6 . . ?
O5 C22 C23 106.6(9) . . ?
O5 C22 C21 113.2(10) . . ?
C21 C22 C23 107.1(10) . . ?
C11 C10 C9 124.1(8) . . ?
C11 C10 C15 119.3(8) . . ?
C15 C10 C9 116.6(8) . . ?
O4 C11 C10 122.0(8) . . ?
O4 C11 C12 120.1(8) . . ?
C10 C11 C12 117.8(7) . . ?
C10 C15 H15 119.5 . . ?
C14 C15 C10 121.1(8) . . ?
C14 C15 H15 119.5 . . ?
C14 O3 H3 109.5 . . ?
C11 C12 H12 119.0 . . ?
C13 C12 C11 122.0(8) . . ?
C13 C12 H12 119.0 . . ?
C12 C13 H13 120.4 . . ?
C12 C13 C14 119.3(9) . . ?
C14 C13 H13 120.4 . . ?
C15 C14 O3 121.6(8) . . ?
C15 C14 C13 120.5(9) . . ?
O3 C14 C13 117.8(8) . . ?
C3 C2 H2 120.0 . . ?
C3 C2 C1 120.0 . . ?
C1 C2 H2 120.0 . . ?
C2 C3 H3A 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3A 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5A 120.0 . . ?
C6 C5 C4 120.0 . . ?
C6 C5 H5A 120.0 . . ?
C5 C6 C7 120.9(7) . . ?
C5 C6 C1 120.0 . . ?
C1 C6 C7 119.1(7) . . ?
C2 C1 H1A 120.0 . . ?
C6 C1 C2 120.0 . . ?
C6 C1 H1A 120.0 . . ?
C27 O8 H8 109.5 . . ?
C31 O10 H10 109.5 . . ?
C19 C18 H18 120.0 . . ?
C19 C18 C17 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C20 C21 C22 118.7(8) . . ?
C20 C21 C16 120.0 . . ?
C16 C21 C22 121.1(8) . . ?
C21 C16 H16A 120.0 . . ?
C21 C16 C17 120.0 . . ?
C17 C16 H16A 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 C18 120.0 . . ?
C16 C17 H17 120.0 . . ?
O10 C31 O10 89(3) 2_655 . ?
O10 C31 H31 135.5 2_655 . ?
O10 C31 H31 135.5 . . ?

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
Dy6 O4 C11 C10 100.9(11) 2_755 . . . ?
Dy6 O4 C11 C10 -52.5(13) . . . . ?
Dy6 O4 C11 C12 -74.0(10) 2_755 . . . ?
Dy6 O4 C11 C12 132.6(9) . . . . ?
Dy6 O7 C24 C29 104.5(12) . . . . ?
Dy6 O7 C24 C29 -46.1(14) 3_556 . . . ?
Dy6 O7 C24 C25 135.4(9) 3_556 . . . ?
Dy6 O7 C24 C25 -74.0(11) . . . . ?
Dy6 O2 C8 N16 -0.2(15) . . . . ?
Dy6 O2 C8 C7 179.0(7) . . . . ?
Dy6 O6 C23 N13 -3.1(15) . . . . ?
Dy6 O6 C23 C22 179.6(8) . . . . ?
Dy6 N6 N13 C23 -1.4(11) . . . . ?
Dy6 N4 C9 C10 11.1(16) . . . . ?
O4 C11 C12 C13 173.4(9) . . . . ?
O7 C24 C29 C30 1.1(18) . . . . ?
O7 C24 C29 C28 -172.3(10) . . . . ?
O7 C24 C25 C26 174.5(10) . . . . ?
C24 C29 C30 N6 9.8(18) . . . 3_556 ?
C24 C29 C28 C27 -3.3(18) . . . . ?
C24 C25 C26 C27 -1.1(18) . . . . ?
O2 C8 C7 O1 -176.9(10) . . . . ?
O2 C8 C7 C6 60.0(13) . . . . ?
O6 C23 C22 O5 -165.3(10) . . . . ?
O6 C23 C22 C21 73.2(13) . . . . ?
N6 N13 C23 O6 3.0(16) . . . . ?
N6 N13 C23 C22 -179.7(9) . . . . ?
O1 C7 C6 C5 133.6(9) . . . . ?
O1 C7 C6 C1 -46.1(12) . . . . ?
N13 C23 C22 O5 17.2(14) . . . . ?
N13 C23 C22 C21 -104.2(11) . . . . ?
N16 C8 C7 O1 2.4(14) . . . . ?
N16 C8 C7 C6 -120.8(11) . . . . ?
N16 N4 C9 C10 -179.7(9) . . . . ?
C29 C24 C25 C26 -4.0(17) . . . . ?
C23 C22 C21 C20 108.9(10) . . . . ?
C23 C22 C21 C16 -66.0(12) . . . . ?
C30 N6 N13 C23 -169.6(10) 3_556 . . . ?
C30 C29 C28 C27 -177.3(11) . . . . ?
C8 N16 N4 Dy6 -2.4(11) . . . . ?
C8 N16 N4 C9 -173.4(10) . . . . ?
C8 C7 C6 C5 -104.8(10) . . . . ?
C8 C7 C6 C1 75.5(11) . . . . ?
C25 C24 C29 C30 179.6(10) . . . . ?
C25 C24 C29 C28 6.2(17) . . . . ?
C28 C27 C26 C25 4.3(18) . . . . ?
C28 C29 C30 N6 -176.4(10) . . . 3_556 ?
C7 C6 C1 C2 179.6(9) . . . . ?
C26 C27 C28 C29 -2.0(18) . . . . ?
O5 C22 C21 C20 -8.3(13) . . . . ?
O5 C22 C21 C16 176.8(8) . . . . ?
N4 N16 C8 O2 1.9(15) . . . . ?
N4 N16 C8 C7 -177.3(9) . . . . ?
N4 C9 C10 C11 10.7(17) . . . . ?
N4 C9 C10 C15 -171.2(10) . . . . ?
C9 C10 C11 O4 4.9(16) . . . . ?
C9 C10 C11 C12 179.9(10) . . . . ?
C9 C10 C15 C14 -179.8(10) . . . . ?
C22 C21 C16 C17 174.9(11) . . . . ?
C10 C11 C12 C13 -1.7(15) . . . . ?
C10 C15 C14 O3 177.8(9) . . . . ?
C10 C15 C14 C13 1.0(16) . . . . ?
C11 C10 C15 C14 -1.5(16) . . . . ?
C11 C12 C13 C14 1.2(15) . . . . ?
C15 C10 C11 O4 -173.2(9) . . . . ?
C15 C10 C11 C12 1.8(15) . . . . ?
C12 C13 C14 C15 -0.8(15) . . . . ?
C12 C13 C14 O3 -177.8(9) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C2 C1 C6 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C7 -179.6(10) . . . . ?
C4 C5 C6 C1 0.0 . . . . ?
C5 C6 C1 C2 0.0 . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
O8 C27 C28 C29 178.2(11) . . . . ?
O8 C27 C26 C25 -176.0(11) . . . . ?
C18 C19 C20 C21 0.0 . . . . ?
C19 C18 C17 C16 0.0 . . . . ?
C19 C20 C21 C22 -175.0(10) . . . . ?
C19 C20 C21 C16 0.0 . . . . ?
C20 C21 C16 C17 0.0 . . . . ?
C21 C16 C17 C18 0.0 . . . . ?
C17 C18 C19 C20 0.0 . . . . ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_platon_squeeze_details          ?
_platon_squeeze_special_details  ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.182 0.000 71 8 ' '
2 0.500 0.818 0.000 70 8 ' '
3 0.500 0.000 0.000 22 4 ' '
4 0.000 0.318 0.500 70 8 ' '
5 0.000 0.682 0.500 71 8 ' '
6 0.000 0.500 0.500 22 4 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.999
_oxdiff_exptl_absorpt_empirical_full_min 0.560
####################################################################### 
# 
# 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_20210722-lfp-lbf-050106_sq_sq
_database_code_depnum_ccdc_archive 'CCDC 2194450'
loop_
_audit_author_name
_audit_author_address
'Zhong-Hong Zhu'
;Guangxi Normal University
China
;
_audit_update_record             
;
2022-09-06 deposited with the CCDC.	2022-09-25 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT430_20210722-lfp-lbf-050106_sq_sq 
;
PROBLEM: ALERT_2_A Short Inter D...A Contact O10 ..O10 . 2.04 Ang. 
RESPONSE: All such alerts generally involve disordered atoms 
and/or partially occupied sites. 
;
_vrf_PLAT306_20210722-lfp-lbf-050106_sq_sq 
;
PROBLEM: ALERT_2_B Isolated Oxygen Atom (H-atoms Missing ?) ....... O10 Check
RESPONSE: The oxygen atom is assigned to be adisordered water molecule.
Consequently, no particular effort has been applied to 
determine possible hydrogen atom position. 
;
_vrf_PLAT420_20210722-lfp-lbf-050106_sq_sq 
;
PROBLEM: ALERT_2_B D-H Bond Without Acceptor O1 --H1 . Please Check
ALERT_2_B D-H Bond Without Acceptor O43 --H43 . Please Check
RESPONSE: This problem may arise from the disordered nature of O and H atoms.
;
# Added during the CSD deposition process: Sunday August 28 2022 10:36 AM
# end Validation Reply Form


_audit_creation_date             2022-07-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C120 H104 Dy4 N16 O33, 2(Cl), 2(C H4 O2), 2(O)'
_chemical_formula_sum            'C122 H112 Cl2 Dy4 N16 O39'
_chemical_formula_weight         3147.17
_chemical_absolute_configuration S
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C148 H128 Cl8 Dy8 N64 O78 '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           23
_space_group_name_H-M_alt        'I 2 2 2'
_space_group_name_Hall           'I 2 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'

_cell_length_a                   21.5282(2)
_cell_length_b                   16.8445(2)
_cell_length_c                   17.8785(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6483.31(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    15339
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      75.6540
_cell_measurement_theta_min      3.2060
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    13.232
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53199
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3132
_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  0.0330
_diffrn_reflns_av_unetI/netI     0.0297
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22126
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.899
_diffrn_reflns_theta_min         3.213
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     21.00 117.00   0.50    0.50    --   43.18  57.00 -18.00  192
  2  ω     87.00 176.00   0.50    1.30    --  109.26  45.00 -90.00  178
  3  ω    135.00 178.00   0.50    1.30    --  109.26  57.00 -18.00   86
  4  ω     92.00 118.00   0.50    1.30    --  109.26  45.00 150.00   52
  5  ω    -65.00  31.00   0.50    0.50    --  -43.18  57.00 -18.00  192
  6  ω    -50.00 -20.00   0.50    1.30    --  -90.25  45.00 150.00   60
  7  ω    -49.00 -23.00   0.50    1.30    --  -90.25  45.00 120.00   52
  8  ω    -51.00 -25.00   0.50    1.30    --  -90.25  57.00 -18.00   52
  9  ω    -50.00 -16.00   0.50    1.30    --  -90.25  45.00-180.00   68
 10  ω   -117.00 -20.00   0.50    0.50    --  -43.18 -57.00-159.00  194
 11  ω   -156.00-115.00   0.50    1.30    --  -90.25 -57.00-159.00   82
 12  ω     36.00  64.00   0.50    1.30    --  109.26 -61.00 120.00   56
 13  ω     45.00  71.00   0.50    1.30    --  109.26 -61.00  60.00   52
 14  ω     44.00  70.00   0.50    1.30    --  109.26 -61.00  30.00   52
 15  ω     38.00  70.00   0.50    1.30    --  109.26 -61.00 -30.00   64
 16  ω     35.00  69.00   0.50    1.30    --  109.26 -61.00 -90.00   68
 17  ω     37.00  65.00   0.50    1.30    --  109.26 -57.00-159.00   56
 18  ω     35.00  66.00   0.50    1.30    --  109.26 -61.00-180.00   62
 19  ω     35.00  78.00   0.50    0.50    --   43.18-125.00  60.00   86
 20  ω     48.00  97.00   0.50    1.30    --  109.26 -94.00 120.00   98
 21  ω     82.00 108.00   0.50    1.30    --  109.26-125.00  30.00   52
 22  ω     48.00  94.00   0.50    1.30    --  109.26 -94.00 150.00   92
 23  ω     38.00  74.00   0.50    1.30    --  109.26-125.00  30.00   72
 24  ω     36.00 103.00   0.50    1.30    --  109.26 -94.00 -90.00  134
 25  ω     36.00 105.00   0.50    1.30    --  109.26 -94.00-180.00  138
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0008444000
_diffrn_orient_matrix_UB_12      -0.0775367000
_diffrn_orient_matrix_UB_13      0.0457575000
_diffrn_orient_matrix_UB_21      0.0490658000
_diffrn_orient_matrix_UB_22      -0.0359241000
_diffrn_orient_matrix_UB_23      -0.0528112000
_diffrn_orient_matrix_UB_31      0.0520424000
_diffrn_orient_matrix_UB_32      0.0326030000
_diffrn_orient_matrix_UB_33      0.0504743000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.791
_reflns_Friedel_fraction_full    0.991
_reflns_Friedel_fraction_max     0.941
_reflns_number_gt                6334
_reflns_number_total             6533
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         3.664
_refine_diff_density_min         -1.245
_refine_diff_density_rms         0.171
_refine_ls_abs_structure_details 
;
 Flack x determined using 2583 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.012(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         6533
_refine_ls_number_restraints     635
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0546
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0925P)²+76.2894P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1490
_refine_ls_wR_factor_ref         0.1501
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All O(H) groups
2. Restrained distances
 O43-C44
 1.45 with sigma of 0.02
 C44-O43
 1.3 with sigma of 0.02
 H3a-H43
 2.3 with sigma of 0.02
 H3-H5_$1
 2.1 with sigma of 0.02
3. Rigid bond restraints
 O7, C27
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C27, O7
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C6 \\sim C30 \\sim C10 \\sim C15 \\sim C24 \\sim C25 \\sim C31 \\sim C8 \\sim
C7 \\sim C27 \\sim C12 \\sim C23 \\sim C26 \\sim C29 \\sim C9 \\sim C22 \\sim
C14 \\sim C28 \\sim C13 \\sim C4 \\sim C3 \\sim C5 \\sim C1 \\sim C44 \\sim C2
\\sim C17 \\sim C16 \\sim C21 \\sim C20 \\sim C19 \\sim C18: within 3.8A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 3.8A
Uanis(C16) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C19)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O43) \\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(Cl1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O3) \\sim Ueq: with sigma of 0.0001 and sigma for terminal atoms of 0.0002
Uanis(O7) \\sim Ueq, Uanis(O1) \\sim Ueq: with sigma of 0.0001 and sigma for
terminal atoms of 0.0002
Uanis(O10) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C27) \\sim Ueq, Uanis(O7) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
5. Others
 Fixed Sof: H44a(0.5) H44b(0.5)
6.a Ternary CH refined with riding coordinates:
 C7(H7), C22(H22)
6.b Secondary CH2 refined with riding coordinates:
 C44(H44a,H44b)
6.c Aromatic/amide H refined with riding coordinates:
 C26(H26), C28(H28), C29(H29), C24(H24), C31(H31), C9(H9), N3(H3a), C14(H14),
 N1(H1a), C13(H13), C4(H4), C3(H3b), C5(H5a), C1(H1b), C2(H2), C17(H17),
 C16(H16), C20(H20), C19(H19), C18(H18)
6.d Fitted hexagon refined as free rotating group:
 C30(C25,C26,C27,C28,C29), C17(C16,C21,C20,C19,C18)
6.e Idealised tetrahedral OH refined as rotating group:
 O1(H1), O3(H3), O5(H5), O7(H7a), O43(H43)
;
_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 0.50108(3) 0.60534(2) 0.40047(2) 0.01388(17) Uani 1 1 d . . . . .
Cl1 Cl 0.26214(19) 0.500000 0.000000 0.0522(9) Uani 1 2 d S TU P . .
O4 O 0.5675(2) 0.6348(3) 0.4957(4) 0.0166(11) Uani 1 1 d . . . . .
O8 O 0.4317(2) 0.5048(5) 0.3716(3) 0.0179(11) Uani 1 1 d . . . . .
O2 O 0.4249(3) 0.6943(4) 0.3487(4) 0.0193(13) Uani 1 1 d . . . . .
O9 O 0.500000 0.500000 0.500000 0.022(2) Uani 1 4 d S T P . .
C6 C 0.3714(6) 0.7979(8) 0.2330(7) 0.041(2) Uani 1 1 d . U . . .
C30 C 0.3800(2) 0.5030(4) 0.3261(3) 0.0230(15) Uani 1 1 d G U . . .
C25 C 0.3824(2) 0.5310(4) 0.2531(3) 0.0290(18) Uani 1 1 d G U . . .
C26 C 0.3320(3) 0.5203(4) 0.2056(3) 0.034(2) Uani 1 1 d G U . . .
H26 H 0.333570 0.539078 0.156759 0.041 Uiso 1 1 calc R U . . .
C27 C 0.2791(3) 0.4815(4) 0.2313(4) 0.039(2) Uani 1 1 d G U . . .
C28 C 0.2767(2) 0.4535(4) 0.3043(4) 0.035(2) Uani 1 1 d G U . . .
H28 H 0.241270 0.427556 0.321452 0.042 Uiso 1 1 calc R U . . .
C29 C 0.3271(3) 0.4642(4) 0.3518(3) 0.0277(18) Uani 1 1 d G U . . .
H29 H 0.325491 0.445432 0.400637 0.033 Uiso 1 1 calc R U . . .
C10 C 0.6195(4) 0.7606(5) 0.4767(5) 0.0207(16) Uani 1 1 d . U . . .
C15 C 0.6189(3) 0.6809(5) 0.5013(7) 0.0182(13) Uani 1 1 d . U . . .
O6 O 0.5785(3) 0.6619(4) 0.3177(4) 0.0196(13) Uani 1 1 d . . . . .
C24 C 0.4349(5) 0.5714(6) 0.2199(6) 0.0278(18) Uani 1 1 d . U . . .
H24 H 0.433038 0.583548 0.169198 0.033 Uiso 1 1 calc R U . . .
O1 O 0.3873(5) 0.8974(6) 0.3287(5) 0.047(2) Uani 1 1 d . U . . .
H1 H 0.374156 0.910054 0.370038 0.070 Uiso 1 1 calc R U . . .
O3 O 0.7750(3) 0.8232(4) 0.5407(4) 0.0259(14) Uani 1 1 d . U . . .
H3 H 0.764307 0.863177 0.563489 0.039 Uiso 1 1 calc DR U . . .
C31 C 0.6726(4) 0.8077(5) 0.4911(6) 0.0235(17) Uani 1 1 d . U . . .
H31 H 0.672569 0.860758 0.476736 0.028 Uiso 1 1 calc R U . . .
C8 C 0.4279(4) 0.7672(6) 0.3497(6) 0.0250(18) Uani 1 1 d . U . . .
C7 C 0.3760(6) 0.8167(8) 0.3166(7) 0.037(2) Uani 1 1 d . U . . .
H7 H 0.336823 0.802139 0.340844 0.044 Uiso 1 1 calc R U . . .
O5 O 0.6211(4) 0.6652(6) 0.1274(5) 0.041(2) Uani 1 1 d . . . . .
H5 H 0.650064 0.680397 0.101221 0.061 Uiso 1 1 calc R U . . .
C12 C 0.7234(4) 0.7772(6) 0.5253(5) 0.0211(16) Uani 1 1 d . U . . .
C23 C 0.5769(5) 0.6590(7) 0.2492(6) 0.031(2) Uani 1 1 d . U . . .
O7 O 0.2304(5) 0.4657(6) 0.1815(6) 0.052(2) Uani 1 1 d . U . . .
H7A H 0.200488 0.493669 0.192008 0.079 Uiso 1 1 calc R U . . .
C9 C 0.5675(5) 0.7986(6) 0.4409(6) 0.0274(17) Uani 1 1 d . U . . .
H9 H 0.568037 0.853516 0.435848 0.033 Uiso 1 1 calc R U . . .
N4 N 0.4834(3) 0.5911(5) 0.2556(5) 0.0228(17) Uani 1 1 d . . . . .
N3 N 0.5293(4) 0.6260(5) 0.2122(4) 0.0240(17) Uani 1 1 d . . . . .
H3A H 0.527381 0.626523 0.164133 0.029 Uiso 1 1 calc DR U . . .
C22 C 0.6278(6) 0.6962(8) 0.2003(7) 0.042(2) Uani 1 1 d . U . . .
H22 H 0.668673 0.681525 0.220154 0.050 Uiso 1 1 calc R U . . .
C14 C 0.6725(4) 0.6511(6) 0.5356(5) 0.0211(16) Uani 1 1 d . U . . .
H14 H 0.673315 0.598156 0.550241 0.025 Uiso 1 1 calc R U . . .
N1 N 0.4745(4) 0.8070(5) 0.3821(5) 0.0263(18) Uani 1 1 d . . . . .
H1A H 0.476322 0.857974 0.382307 0.032 Uiso 1 1 calc R U . . .
C13 C 0.7242(4) 0.6974(6) 0.5483(5) 0.0211(17) Uani 1 1 d . U . . .
H13 H 0.759040 0.676223 0.571708 0.025 Uiso 1 1 calc R U . . .
C4 C 0.3212(7) 0.7350(10) 0.1314(9) 0.054(2) Uani 1 1 d . U . . .
H4 H 0.290516 0.701099 0.113463 0.065 Uiso 1 1 calc R U . . .
C3 C 0.3609(8) 0.7667(11) 0.0836(9) 0.060(3) Uani 1 1 d . U . . .
H3B H 0.354407 0.761288 0.032381 0.072 Uiso 1 1 calc R U . . .
C5 C 0.3238(6) 0.7509(9) 0.2077(8) 0.047(2) Uani 1 1 d . U . . .
H5A H 0.294375 0.730293 0.240461 0.056 Uiso 1 1 calc R U . . .
N2 N 0.5197(3) 0.7600(5) 0.4152(4) 0.0192(16) Uani 1 1 d . . . . .
C1 C 0.4148(7) 0.8256(10) 0.1866(8) 0.051(2) Uani 1 1 d . U . . .
H1B H 0.446869 0.856808 0.205189 0.061 Uiso 1 1 calc R U . . .
O43 O 0.5023(12) 0.6094(13) 0.0549(10) 0.160(8) Uani 1 1 d D U . . .
H43 H 0.529766 0.577678 0.044089 0.240 Uiso 1 1 calc DR U . . .
C44 C 0.500000 0.6704(13) 0.000000 0.072(4) Uani 1 2 d DS TU P . .
H44A H 0.462855 0.702940 0.002256 0.087 Uiso 0.5 1 calc R U P . .
H44B H 0.537143 0.702944 -0.002256 0.087 Uiso 0.5 1 calc R U P . .
C2 C 0.4123(8) 0.8080(11) 0.1097(9) 0.060(3) Uani 1 1 d . U . . .
H2 H 0.444018 0.823530 0.077487 0.072 Uiso 1 1 calc R U . . .
C17 C 0.6165(6) 0.9083(6) 0.2736(5) 0.073(3) Uani 1 1 d G U . . .
H17 H 0.622662 0.936056 0.317982 0.087 Uiso 1 1 calc R U . . .
C16 C 0.6294(6) 0.8276(6) 0.2702(5) 0.063(3) Uani 1 1 d G U . . .
H16 H 0.644096 0.801209 0.312370 0.076 Uiso 1 1 calc R U . . .
C21 C 0.6202(5) 0.7861(4) 0.2039(6) 0.052(2) Uani 1 1 d G U . . .
C20 C 0.5981(6) 0.8255(6) 0.1410(5) 0.060(3) Uani 1 1 d G U . . .
H20 H 0.591968 0.797790 0.096579 0.071 Uiso 1 1 calc R U . . .
C19 C 0.5853(6) 0.9063(6) 0.1443(6) 0.071(3) Uani 1 1 d G U . . .
H19 H 0.570533 0.932636 0.102189 0.085 Uiso 1 1 calc R U . . .
C18 C 0.5945(6) 0.9477(5) 0.2106(7) 0.078(3) Uani 1 1 d G U . . .
H18 H 0.585880 1.001771 0.212890 0.094 Uiso 1 1 calc R U . . .
O10 O 0.500000 1.000000 0.4429(4) 0.0200(15) Uani 1 2 d S TU P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy1 3.5592(8) 3_656 ?
Dy1 Dy1 3.5490(8) 2_665 ?
Dy1 O4 2.278(7) . ?
Dy1 O4 2.424(7) 3_656 ?
Dy1 O8 2.316(7) . ?
Dy1 O8 2.408(7) 2_665 ?
Dy1 O2 2.406(6) . ?
Dy1 O9 2.5130(4) . ?
Dy1 O6 2.424(7) . ?
Dy1 N4 2.629(8) . ?
Dy1 N2 2.649(8) . ?
O4 C15 1.355(9) . ?
O8 C30 1.380(6) . ?
O2 C8 1.230(13) . ?
C6 C7 1.531(17) . ?
C6 C5 1.371(19) . ?
C6 C1 1.33(2) . ?
C30 C25 1.3900 . ?
C30 C29 1.3900 . ?
C25 C26 1.3900 . ?
C25 C24 1.447(12) . ?
C26 H26 0.9300 . ?
C26 C27 1.3900 . ?
C27 C28 1.3900 . ?
C27 O7 1.400(11) . ?
C28 H28 0.9300 . ?
C28 C29 1.3900 . ?
C29 H29 0.9300 . ?
C10 C15 1.413(12) . ?
C10 C31 1.414(12) . ?
C10 C9 1.441(14) . ?
C15 C14 1.400(13) . ?
O6 C23 1.226(13) . ?
C24 H24 0.9300 . ?
C24 N4 1.268(13) . ?
O1 H1 0.8200 . ?
O1 C7 1.397(16) . ?
O3 H3 0.8200 . ?
O3 C12 1.382(12) . ?
C31 H31 0.9300 . ?
C31 C12 1.355(13) . ?
C8 C7 1.513(14) . ?
C8 N1 1.338(13) . ?
C7 H7 0.9800 . ?
O5 H5 0.8200 . ?
O5 C22 1.413(15) . ?
C12 C13 1.406(13) . ?
C23 N3 1.339(14) . ?
C23 C22 1.536(16) . ?
O7 H7A 0.8200 . ?
C9 H9 0.9300 . ?
C9 N2 1.300(13) . ?
N4 N3 1.388(11) . ?
N3 H3A 0.8600 . ?
C22 H22 0.9800 . ?
C22 C21 1.525(16) . ?
C14 H14 0.9300 . ?
C14 C13 1.377(13) . ?
N1 H1A 0.8600 . ?
N1 N2 1.387(11) . ?
C13 H13 0.9300 . ?
C4 H4 0.9300 . ?
C4 C3 1.32(2) . ?
C4 C5 1.39(2) . ?
C3 H3B 0.9300 . ?
C3 C2 1.39(2) . ?
C5 H5A 0.9300 . ?
C1 H1B 0.9300 . ?
C1 C2 1.41(2) . ?
O43 H43 0.8200 . ?
O43 C44 1.422(16) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C2 H2 0.9300 . ?
C17 H17 0.9300 . ?
C17 C16 1.3900 . ?
C17 C18 1.3900 . ?
C16 H16 0.9300 . ?
C16 C21 1.3900 . ?
C21 C20 1.3900 . ?
C20 H20 0.9300 . ?
C20 C19 1.3900 . ?
C19 H19 0.9300 . ?
C19 C18 1.3900 . ?
C18 H18 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
Dy1 Dy1 Dy1 90.0 2_665 3_656 ?
O4 Dy1 Dy1 103.08(14) . 2_665 ?
O4 Dy1 Dy1 101.36(13) 3_656 2_665 ?
O4 Dy1 Dy1 39.30(15) 3_656 3_656 ?
O4 Dy1 Dy1 42.35(16) . 3_656 ?
O4 Dy1 O4 76.4(2) . 3_656 ?
O4 Dy1 O8 87.2(2) . 2_665 ?
O4 Dy1 O8 136.9(2) . . ?
O4 Dy1 O2 125.4(2) . . ?
O4 Dy1 O9 68.33(15) . . ?
O4 Dy1 O9 66.22(14) 3_656 . ?
O4 Dy1 O6 86.5(2) . . ?
O4 Dy1 O6 143.7(2) 3_656 . ?
O4 Dy1 N4 147.9(2) . . ?
O4 Dy1 N4 133.3(2) 3_656 . ?
O4 Dy1 N2 79.3(2) 3_656 . ?
O4 Dy1 N2 67.4(2) . . ?
O8 Dy1 Dy1 102.36(14) . 3_656 ?
O8 Dy1 Dy1 40.33(15) 2_665 2_665 ?
O8 Dy1 Dy1 42.28(17) . 2_665 ?
O8 Dy1 Dy1 102.82(14) 2_665 3_656 ?
O8 Dy1 O4 133.5(2) 2_665 3_656 ?
O8 Dy1 O4 85.9(2) . 3_656 ?
O8 Dy1 O8 77.1(2) . 2_665 ?
O8 Dy1 O2 86.0(2) . . ?
O8 Dy1 O9 67.25(15) 2_665 . ?
O8 Dy1 O9 68.60(15) . . ?
O8 Dy1 O6 126.5(2) . . ?
O8 Dy1 O6 76.1(2) 2_665 . ?
O8 Dy1 N4 78.8(2) 2_665 . ?
O8 Dy1 N4 67.7(2) . . ?
O8 Dy1 N2 147.0(2) . . ?
O8 Dy1 N2 133.5(2) 2_665 . ?
O2 Dy1 Dy1 127.87(17) . 2_665 ?
O2 Dy1 Dy1 112.06(16) . 3_656 ?
O2 Dy1 O4 75.6(2) . 3_656 ?
O2 Dy1 O8 143.8(2) . 2_665 ?
O2 Dy1 O9 134.89(16) . . ?
O2 Dy1 O6 89.4(2) . . ?
O2 Dy1 N4 65.1(2) . . ?
O2 Dy1 N2 61.9(2) . . ?
O9 Dy1 Dy1 45.080(9) . 2_665 ?
O9 Dy1 Dy1 44.916(9) . 3_656 ?
O9 Dy1 N4 129.20(18) . . ?
O9 Dy1 N2 128.70(17) . . ?
O6 Dy1 Dy1 113.70(16) . 2_665 ?
O6 Dy1 Dy1 128.28(15) . 3_656 ?
O6 Dy1 O9 135.74(16) . . ?
O6 Dy1 N4 62.2(2) . . ?
O6 Dy1 N2 64.5(2) . . ?
N4 Dy1 Dy1 84.67(18) . 2_665 ?
N4 Dy1 Dy1 169.53(17) . 3_656 ?
N4 Dy1 N2 102.1(2) . . ?
N2 Dy1 Dy1 170.18(15) . 2_665 ?
N2 Dy1 Dy1 84.40(17) . 3_656 ?
Dy1 O4 Dy1 98.35(19) . 3_656 ?
C15 O4 Dy1 133.8(7) . . ?
C15 O4 Dy1 123.9(7) . 3_656 ?
Dy1 O8 Dy1 97.40(18) . 2_665 ?
C30 O8 Dy1 126.5(5) . 2_665 ?
C30 O8 Dy1 131.9(6) . . ?
C8 O2 Dy1 125.6(6) . . ?
Dy1 O9 Dy1 89.840(19) 3_656 4_566 ?
Dy1 O9 Dy1 178.94(3) 3_656 2_665 ?
Dy1 O9 Dy1 178.94(3) . 4_566 ?
Dy1 O9 Dy1 90.169(19) . 3_656 ?
Dy1 O9 Dy1 89.841(19) . 2_665 ?
Dy1 O9 Dy1 90.170(19) 2_665 4_566 ?
C5 C6 C7 119.3(13) . . ?
C1 C6 C7 119.3(12) . . ?
C1 C6 C5 121.3(13) . . ?
O8 C30 C25 121.1(5) . . ?
O8 C30 C29 118.5(5) . . ?
C25 C30 C29 120.0 . . ?
C30 C25 C26 120.0 . . ?
C30 C25 C24 125.1(6) . . ?
C26 C25 C24 114.9(6) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 O7 119.6(6) . . ?
C28 C27 C26 120.0 . . ?
C28 C27 O7 120.3(6) . . ?
C27 C28 H28 120.0 . . ?
C27 C28 C29 120.0 . . ?
C29 C28 H28 120.0 . . ?
C30 C29 H29 120.0 . . ?
C28 C29 C30 120.0 . . ?
C28 C29 H29 120.0 . . ?
C15 C10 C31 118.9(8) . . ?
C15 C10 C9 123.6(8) . . ?
C31 C10 C9 117.4(9) . . ?
O4 C15 C10 121.9(8) . . ?
O4 C15 C14 120.0(8) . . ?
C14 C15 C10 118.0(8) . . ?
C23 O6 Dy1 125.1(7) . . ?
C25 C24 H24 118.0 . . ?
N4 C24 C25 124.1(9) . . ?
N4 C24 H24 118.0 . . ?
C7 O1 H1 109.5 . . ?
C12 O3 H3 109.5 . . ?
C10 C31 H31 119.2 . . ?
C12 C31 C10 121.5(9) . . ?
C12 C31 H31 119.2 . . ?
O2 C8 C7 120.4(9) . . ?
O2 C8 N1 123.0(9) . . ?
N1 C8 C7 116.5(10) . . ?
C6 C7 H7 108.9 . . ?
O1 C7 C6 111.3(10) . . ?
O1 C7 C8 110.3(10) . . ?
O1 C7 H7 108.9 . . ?
C8 C7 C6 108.4(10) . . ?
C8 C7 H7 108.9 . . ?
C22 O5 H5 109.5 . . ?
O3 C12 C13 117.9(8) . . ?
C31 C12 O3 121.8(8) . . ?
C31 C12 C13 120.2(9) . . ?
O6 C23 N3 122.1(10) . . ?
O6 C23 C22 122.1(10) . . ?
N3 C23 C22 115.7(10) . . ?
C27 O7 H7A 109.5 . . ?
C10 C9 H9 118.3 . . ?
N2 C9 C10 123.4(9) . . ?
N2 C9 H9 118.3 . . ?
C24 N4 Dy1 129.7(7) . . ?
C24 N4 N3 114.6(9) . . ?
N3 N4 Dy1 114.2(6) . . ?
C23 N3 N4 116.3(8) . . ?
C23 N3 H3A 121.8 . . ?
N4 N3 H3A 121.8 . . ?
O5 C22 C23 107.5(10) . . ?
O5 C22 H22 109.4 . . ?
O5 C22 C21 113.2(10) . . ?
C23 C22 H22 109.4 . . ?
C21 C22 C23 107.7(11) . . ?
C21 C22 H22 109.4 . . ?
C15 C14 H14 118.8 . . ?
C13 C14 C15 122.4(9) . . ?
C13 C14 H14 118.8 . . ?
C8 N1 H1A 122.4 . . ?
C8 N1 N2 115.2(9) . . ?
N2 N1 H1A 122.4 . . ?
C12 C13 H13 120.5 . . ?
C14 C13 C12 118.9(9) . . ?
C14 C13 H13 120.5 . . ?
C3 C4 H4 119.0 . . ?
C3 C4 C5 122.0(15) . . ?
C5 C4 H4 119.0 . . ?
C4 C3 H3B 120.0 . . ?
C4 C3 C2 120.0(15) . . ?
C2 C3 H3B 120.0 . . ?
C6 C5 C4 117.7(14) . . ?
C6 C5 H5A 121.2 . . ?
C4 C5 H5A 121.2 . . ?
C9 N2 Dy1 130.3(6) . . ?
C9 N2 N1 114.8(8) . . ?
N1 N2 Dy1 114.4(6) . . ?
C6 C1 H1B 119.7 . . ?
C6 C1 C2 120.6(14) . . ?
C2 C1 H1B 119.7 . . ?
C44 O43 H43 109.5 . . ?
O43 C44 O43 87(2) 3_655 . ?
O43 C44 H44A 114.1 3_655 . ?
O43 C44 H44A 114.1 . . ?
O43 C44 H44B 114.1 . . ?
O43 C44 H44B 114.1 3_655 . ?
H44A C44 H44B 111.3 . . ?
C3 C2 C1 117.6(15) . . ?
C3 C2 H2 121.2 . . ?
C1 C2 H2 121.2 . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C16 H16 120.0 . . ?
C17 C16 C21 120.0 . . ?
C21 C16 H16 120.0 . . ?
C16 C21 C22 121.3(8) . . ?
C20 C21 C22 118.5(8) . . ?
C20 C21 C16 120.0 . . ?
C21 C20 H20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C19 H19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.0 . . ?
C19 C18 H18 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O4 C15 C10 -101.8(10) 3_656 . . . ?
Dy1 O4 C15 C10 50.9(13) . . . . ?
Dy1 O4 C15 C14 75.1(10) 3_656 . . . ?
Dy1 O4 C15 C14 -132.2(9) . . . . ?
Dy1 O8 C30 C25 50.2(8) . . . . ?
Dy1 O8 C30 C25 -101.2(6) 2_665 . . . ?
Dy1 O8 C30 C29 -137.1(5) . . . . ?
Dy1 O8 C30 C29 71.5(6) 2_665 . . . ?
Dy1 O2 C8 C7 -178.6(7) . . . . ?
Dy1 O2 C8 N1 -1.5(14) . . . . ?
Dy1 O6 C23 N3 3.0(16) . . . . ?
Dy1 O6 C23 C22 -179.9(9) . . . . ?
Dy1 N4 N3 C23 2.5(11) . . . . ?
O4 C15 C14 C13 -174.5(9) . . . . ?
O8 C30 C25 C26 172.6(7) . . . . ?
O8 C30 C25 C24 -6.7(9) . . . . ?
O8 C30 C29 C28 -172.8(7) . . . . ?
O2 C8 C7 C6 -62.0(14) . . . . ?
O2 C8 C7 O1 175.9(10) . . . . ?
O2 C8 N1 N2 -0.4(15) . . . . ?
C6 C1 C2 C3 5(3) . . . . ?
C30 C25 C26 C27 0.0 . . . . ?
C30 C25 C24 N4 -5.5(15) . . . . ?
C25 C30 C29 C28 0.0 . . . . ?
C25 C26 C27 C28 0.0 . . . . ?
C25 C26 C27 O7 -175.1(8) . . . . ?
C25 C24 N4 Dy1 -17.9(15) . . . . ?
C25 C24 N4 N3 177.2(9) . . . . ?
C26 C25 C24 N4 175.2(9) . . . . ?
C26 C27 C28 C29 0.0 . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C29 C30 C25 C26 0.0 . . . . ?
C29 C30 C25 C24 -179.3(9) . . . . ?
C10 C15 C14 C13 2.5(15) . . . . ?
C10 C31 C12 O3 -178.9(9) . . . . ?
C10 C31 C12 C13 -0.8(16) . . . . ?
C10 C9 N2 Dy1 -8.3(16) . . . . ?
C10 C9 N2 N1 -179.5(9) . . . . ?
C15 C10 C31 C12 2.5(16) . . . . ?
C15 C10 C9 N2 -13.4(17) . . . . ?
C15 C14 C13 C12 -0.8(15) . . . . ?
O6 C23 N3 N4 -3.6(16) . . . . ?
O6 C23 C22 O5 165.0(11) . . . . ?
O6 C23 C22 C21 -72.6(14) . . . . ?
C24 C25 C26 C27 179.4(8) . . . . ?
C24 N4 N3 C23 169.8(10) . . . . ?
O3 C12 C13 C14 178.1(9) . . . . ?
C31 C10 C15 O4 173.6(9) . . . . ?
C31 C10 C15 C14 -3.3(15) . . . . ?
C31 C10 C9 N2 170.1(10) . . . . ?
C31 C12 C13 C14 -0.1(15) . . . . ?
C8 N1 N2 Dy1 1.7(11) . . . . ?
C8 N1 N2 C9 174.3(10) . . . . ?
C7 C6 C5 C4 -180.0(13) . . . . ?
C7 C6 C1 C2 178.8(14) . . . . ?
C7 C8 N1 N2 176.9(9) . . . . ?
O5 C22 C21 C16 -175.6(8) . . . . ?
O5 C22 C21 C20 10.2(14) . . . . ?
C23 C22 C21 C16 65.6(12) . . . . ?
C23 C22 C21 C20 -108.6(10) . . . . ?
O7 C27 C28 C29 175.1(8) . . . . ?
C9 C10 C15 O4 -2.8(16) . . . . ?
C9 C10 C15 C14 -179.8(10) . . . . ?
C9 C10 C31 C12 179.2(10) . . . . ?
N3 C23 C22 O5 -17.7(15) . . . . ?
N3 C23 C22 C21 104.7(12) . . . . ?
C22 C23 N3 N4 179.1(10) . . . . ?
C22 C21 C20 C19 174.2(11) . . . . ?
N1 C8 C7 C6 120.7(12) . . . . ?
N1 C8 C7 O1 -1.4(15) . . . . ?
C4 C3 C2 C1 -10(3) . . . . ?
C3 C4 C5 C6 -3(3) . . . . ?
C5 C6 C7 O1 -134.0(13) . . . . ?
C5 C6 C7 C8 104.5(14) . . . . ?
C5 C6 C1 C2 1(2) . . . . ?
C5 C4 C3 C2 9(3) . . . . ?
C1 C6 C7 O1 48.0(17) . . . . ?
C1 C6 C7 C8 -73.5(16) . . . . ?
C1 C6 C5 C4 -2(2) . . . . ?
C17 C16 C21 C22 -174.0(11) . . . . ?
C17 C16 C21 C20 0.0 . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
C16 C21 C20 C19 0.0 . . . . ?
C21 C20 C19 C18 0.0 . . . . ?
C20 C19 C18 C17 0.0 . . . . ?
C18 C17 C16 C21 0.0 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.618
_oxdiff_exptl_absorpt_empirical_full_min 0.750
####################################################################### 
# 
# 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_20220113-lfp-lbf-010901_sq
_database_code_depnum_ccdc_archive 'CCDC 2194452'
loop_
_audit_author_name
_audit_author_address
'Zhong-Hong Zhu'
;Guangxi Normal University
China
;
_audit_update_record             
;
2022-09-06 deposited with the CCDC.	2022-09-25 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT342_20220113-lfp-lbf-010901_sq 
;
PROBLEM: ALERT_3_B Low Bond Precision on C-C Bonds ............... 0.02365 Ang. 
RESPONSE: This problem arised from the weak X-ray diffraction of 
the crystal at high angles. 
;
_vrf_PLAT420_20220113-lfp-lbf-010901_sq 
;
PROBLEM: ALERT_2_B D-H Bond Without Acceptor O27 --H27B . Please Check
ALERT_2_B D-H Bond Without Acceptor O32 --H32A . Please Check
ALERT_2_B D-H Bond Without Acceptor O32 --H32B . Please Check
ALERT_2_B D-H Bond Without Acceptor O37 --H37A . Please Check
ALERT_2_B D-H Bond Without Acceptor O37 --H37B . Please Check
RESPONSE: This problem may arise from the disordered nature of O and H atoms.
;
# Added during the CSD deposition process: Sunday August 28 2022 10:36 AM
# end Validation Reply Form


_audit_creation_date             2022-07-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C63 H61 Dy6 N6 O37, 2(C H4 O)'
_chemical_formula_sum            'C65 H69 Dy6 N6 O39'
_chemical_formula_weight         2533.26
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N Dy'
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           5
_space_group_name_H-M_alt        'I 1 2 1'
_space_group_name_Hall           'I 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'

_cell_length_a                   20.6111(5)
_cell_length_b                   21.5996(3)
_cell_length_c                   23.8049(6)
_cell_angle_alpha                90
_cell_angle_beta                 114.780(3)
_cell_angle_gamma                90
_cell_volume                     9621.9(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    28869
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.8970
_cell_measurement_theta_min      2.5560
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.680
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52107
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.749
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4836
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.787
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            48073
_diffrn_reflns_point_group_measured_fraction_full 0.936
_diffrn_reflns_point_group_measured_fraction_max 0.696
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.954
_diffrn_reflns_theta_min         2.177
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.787
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      1.00  26.00   0.50   25.00    --    6.48  37.00   0.00   50
  2  ω     35.00  61.00   0.50   25.00    --    6.48  37.00   0.00   52
  3  ω    -19.00  19.00   0.50   25.00    --   -5.54  84.00 -61.00   76
  4  ω    -41.00 -10.00   0.50   25.00    --   -5.54 -84.00 178.00   62
  5  ω    -42.00  30.00   0.50   25.00    --    6.48 -84.00 178.00  144
  6  ω    -22.00  10.00   0.50   25.00    --   -5.54 -99.00  60.00   64
  7  ω    -23.00  29.00   0.50   25.00    --   -5.54 -99.00   0.00  104
  8  ω     -9.00  17.00   0.50   25.00    --   -5.54 -99.00 -60.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0331957000
_diffrn_orient_matrix_UB_12      0.0152312000
_diffrn_orient_matrix_UB_13      -0.0160867000
_diffrn_orient_matrix_UB_21      0.0116015000
_diffrn_orient_matrix_UB_22      0.0245923000
_diffrn_orient_matrix_UB_23      0.0217321000
_diffrn_orient_matrix_UB_31      0.0141505000
_diffrn_orient_matrix_UB_32      0.0155354000
_diffrn_orient_matrix_UB_33      -0.0186264000
_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              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.728
_reflns_Friedel_fraction_full    0.870
_reflns_Friedel_fraction_max     0.601
_reflns_number_gt                18478
_reflns_number_total             21295
_reflns_odcompleteness_completeness 99.83
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         4.101
_refine_diff_density_min         -1.329
_refine_diff_density_rms         0.202
_refine_ls_abs_structure_details 
;
 Flack x determined using 7214 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.001(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1026
_refine_ls_number_reflns         21295
_refine_ls_number_restraints     1292
_refine_ls_R_factor_all          0.0585
_refine_ls_R_factor_gt           0.0478
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0705P)²+121.3725P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1248
_refine_ls_wR_factor_ref         0.1344
_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, All O(H) groups, All O(H,H) groups
2. Restrained distances
 C1-C7
 1.2 with sigma of 0.02
 C7-C8
 1.2 with sigma of 0.02
 C37-C36
 1.2 with sigma of 0.02
 C36-C37
 1.2 with sigma of 0.02
 C38-C37
 1.2 with sigma of 0.02
 C23-C22 = C22-C21
 1.2 with sigma of 0.02
 C46-C47 = C51-C50
 1.2 with sigma of 0.02
 C49-C48
 1.3 with sigma of 0.02
 C53-C52
 1.3 with sigma of 0.02
 C54-C55
 1.3 with sigma of 0.02
 C58-C59
 1.3 with sigma of 0.02
 C56-C57
 1.3 with sigma of 0.02
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C1, C7
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(C1) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C4) \\sim
Ueq, Uanis(C3) \\sim Ueq, Uanis(C2) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C16) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C19)
\\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C21) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C31) \\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C34)
\\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C32) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(O11) \\sim Ueq, Uanis(C49) \\sim Ueq, Uanis(C63) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.002
Uanis(C62) \\sim Ueq, Uanis(C63) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C54) \\sim Ueq, Uanis(C55) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C47) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C59) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C11) \\sim Ueq, Uanis(C46) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C10)
\\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C43) \\sim Ueq,
Uanis(C27) \\sim Ueq, Uanis(C51) \\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(C1B)
\\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C41) \\sim Ueq,
Uanis(C39) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C12)
\\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C30) \\sim Ueq,
Uanis(C26) \\sim Ueq, Uanis(C57) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C42)
\\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C36) \\sim Ueq,
Uanis(C31) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C34)
\\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C9) \\sim Ueq,
Uanis(C8) \\sim Ueq, Uanis(C60) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C37)
\\sim Ueq, Uanis(C48) \\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C58) \\sim Ueq,
Uanis(C2I) \\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C47) \\sim Ueq, Uanis(C56)
\\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C16) \\sim Ueq,
Uanis(C21) \\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C18)
\\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C49) \\sim Ueq,
Uanis(C55) \\sim Ueq, Uanis(C62) \\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(C2)
\\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C5) \\sim Ueq,
Uanis(C4) \\sim Ueq, Uanis(C3) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O29) \\sim Ueq, Uanis(O17) \\sim Ueq, Uanis(O14) \\sim Ueq, Uanis(O9)
\\sim Ueq, Uanis(O21) \\sim Ueq, Uanis(O8) \\sim Ueq, Uanis(O6AA) \\sim Ueq,
Uanis(O12) \\sim Ueq, Uanis(O15) \\sim Ueq, Uanis(O13) \\sim Ueq, Uanis(O22)
\\sim Ueq, Uanis(O4) \\sim Ueq, Uanis(O23) \\sim Ueq, Uanis(O16) \\sim Ueq,
Uanis(O3) \\sim Ueq, Uanis(O10) \\sim Ueq, Uanis(O25) \\sim Ueq, Uanis(O19)
\\sim Ueq, Uanis(O30) \\sim Ueq, Uanis(O20) \\sim Ueq, Uanis(O24) \\sim Ueq,
Uanis(O26) \\sim Ueq, Uanis(O5) \\sim Ueq, Uanis(O18) \\sim Ueq, Uanis(O33)
\\sim Ueq, Uanis(O37) \\sim Ueq, Uanis(O1) \\sim Ueq, Uanis(O2) \\sim Ueq,
Uanis(O34) \\sim Ueq, Uanis(O32) \\sim Ueq, Uanis(O7) \\sim Ueq, Uanis(O27)
\\sim Ueq, Uanis(O31) \\sim Ueq, Uanis(O36) \\sim Ueq, Uanis(O6) \\sim Ueq,
Uanis(O1X) \\sim Ueq, Uanis(O35) \\sim Ueq, Uanis(O11) \\sim Ueq, Uanis(O28)
\\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(N4) \\sim Ueq, Uanis(N2) \\sim Ueq, Uanis(N3) \\sim Ueq, Uanis(N5) \\sim
Ueq, Uanis(N1) \\sim Ueq, Uanis(N6) \\sim Ueq: with sigma of 0.001 and sigma
for terminal atoms of 0.002
Uanis(C1) \\sim Ueq, Uanis(C7) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
Uanis(C7) \\sim Ueq, Uanis(C1) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
5.a Rotating group:
 O37(H37a,H37b), O32(H32a,H32b), O27(H27a,H27b)
5.b Aromatic/amide H refined with riding coordinates:
 C27(H27), N4(H4), C13(H13), C24(H24), C41(H41), C39(H39), C12(H12), C26(H26),
 C42(H42), C35(H35), C31(H31), C32(H32), C33(H33), C34(H34), C9(H9), N1(H1),
 N6(H6a), C16(H16), C20(H20), C19(H19), C18(H18), C17(H17), C2(H2), C6(H6b),
 C5(H5), C4(H4a), C3(H3)
5.c Fitted hexagon refined as free rotating group:
 C35(C36,C31,C32,C33,C34), C16(C21,C20,C19,C18,C17), C2(C1,C6,C5,C4,C3)
5.d Idealised Me refined as rotating group:
 C1B(H1Ba,H1Bb,H1Bc), C57(H57a,H57b,H57c), C50(H50a,H50b,H50c), C53(H53a,H53b,
 H53c), C2I(H2Ia,H2Ib,H2Ic), C61(H61a,H61b,H61c), C47(H47a,H47b,H47c), C59(H59a,
 H59b,H59c), C49(H49a,H49b,H49c), C55(H55a,H55b,H55c), C63(H63a,H63b,H63c)
5.e Idealised tetrahedral OH refined as rotating group:
 O6AA(H6AA), O6(H6), O1X(H1X)
;
_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
Dy4 Dy 0.44279(4) 0.48594(3) 0.70035(4) 0.04051(18) Uani 1 1 d . U . . .
Dy5 Dy 0.38810(4) 0.18822(3) 0.58910(3) 0.03302(14) Uani 1 1 d . U . . .
Dy2 Dy 0.35148(3) 0.40403(3) 0.78921(3) 0.03467(13) Uani 1 1 d . U . . .
Dy1 Dy 0.17824(3) 0.40566(3) 0.79322(3) 0.03738(14) Uani 1 1 d . U . . .
Dy3 Dy 0.43728(3) 0.30984(2) 0.70332(3) 0.02978(14) Uani 1 1 d . U . . .
Dy6 Dy 0.39153(5) 0.60639(3) 0.58432(5) 0.0516(2) Uani 1 1 d . U . . .
O29 O 0.4925(5) 0.2145(4) 0.6940(5) 0.0367(17) Uani 1 1 d . U . . .
O17 O 0.4198(6) 0.3236(5) 0.8521(5) 0.047(2) Uani 1 1 d . U . . .
O14 O 0.3381(6) 0.4706(5) 0.7119(5) 0.0367(17) Uani 1 1 d . U . . .
O9 O 0.4055(4) 0.3979(5) 0.6430(4) 0.0367(15) Uani 1 1 d . U . . .
C11 C 0.1871(8) 0.2443(7) 0.7216(7) 0.039(3) Uani 1 1 d . U . . .
O21 O 0.5503(5) 0.3436(5) 0.7152(5) 0.0392(19) Uani 1 1 d . U . . .
O8 O 0.4165(5) 0.2894(4) 0.5987(4) 0.0348(16) Uani 1 1 d . U . . .
O6AA O 0.3858(4) 0.9011(6) 0.4081(4) 0.0369(16) Uani 1 1 d . U . . .
H6AA H 0.383883 0.879767 0.435828 0.055 Uiso 1 1 calc R U . . .
O12 O 0.3804(7) 0.7036(6) 0.5344(6) 0.064(2) Uani 1 1 d . U . . .
O15 O 0.2462(6) 0.4711(5) 0.7635(5) 0.0421(18) Uani 1 1 d . U . . .
O13 O 0.3590(6) 0.5694(5) 0.6558(5) 0.0474(19) Uani 1 1 d . U . . .
O22 O 0.4539(4) 0.4001(5) 0.7662(4) 0.0369(14) Uani 1 1 d . U . . .
O4 O 0.3360(5) 0.3314(4) 0.7140(4) 0.0315(16) Uani 1 1 d . U . . .
O23 O 0.3131(5) 0.4057(5) 0.8721(4) 0.0443(17) Uani 1 1 d . U . . .
O16 O 0.4693(6) 0.2673(5) 0.8017(5) 0.043(2) Uani 1 1 d . U . . .
O3 O 0.2454(5) 0.3430(4) 0.7650(4) 0.0358(17) Uani 1 1 d . U . . .
O10 O 0.4199(7) 0.5036(5) 0.5916(6) 0.052(2) Uani 1 1 d . U . . .
O25 O 0.1065(6) 0.3997(8) 0.6810(5) 0.068(2) Uani 1 1 d . U . . .
O19 O 0.4800(7) 0.5302(6) 0.7997(6) 0.058(2) Uani 1 1 d . U . . .
O30 O 0.2770(7) 0.2312(6) 0.5097(6) 0.061(2) Uani 1 1 d . U . . .
C46 C 0.4571(9) 0.2762(8) 0.8501(8) 0.049(3) Uani 1 1 d D U . . .
O20 O 0.5544(7) 0.4455(5) 0.7139(6) 0.050(2) Uani 1 1 d . U . . .
C15 C 0.2889(8) 0.2864(6) 0.7063(6) 0.034(2) Uani 1 1 d . U . . .
O24 O 0.2386(6) 0.3470(5) 0.8902(5) 0.045(2) Uani 1 1 d . U . . .
C10 C 0.2386(7) 0.2927(6) 0.7300(6) 0.034(2) Uani 1 1 d . U . . .
O26 O 0.0799(6) 0.4740(5) 0.7287(5) 0.053(2) Uani 1 1 d . U . . .
C14 C 0.2952(8) 0.2306(6) 0.6762(6) 0.035(2) Uani 1 1 d . U . . .
O5 O 0.3487(5) 0.2277(4) 0.6584(5) 0.0376(17) Uani 1 1 d . U . . .
C44 C 0.2934(9) 0.5214(7) 0.7035(7) 0.042(3) Uani 1 1 d . U . . .
C43 C 0.2443(8) 0.5194(7) 0.7289(7) 0.041(3) Uani 1 1 d . U . . .
O18 O 0.4239(6) 0.4840(6) 0.8507(6) 0.052(2) Uani 1 1 d . U . . .
O33 O 0.4620(6) 0.6754(5) 0.6700(5) 0.055(2) Uani 1 1 d . U . . .
C27 C 0.4176(11) 0.4470(10) 0.5020(10) 0.065(4) Uani 1 1 d . U . . .
H27 H 0.421503 0.482896 0.482048 0.078 Uiso 1 1 calc R U . . .
C51 C 0.5833(6) 0.3930(8) 0.7144(6) 0.043(3) Uani 1 1 d D U . . .
O37 O 0.4950(7) 0.6195(6) 0.5667(6) 0.059(2) Uani 1 1 d . U . . .
H37A H 0.544888 0.614958 0.604917 0.089 Uiso 1 1 d R U . . .
H37B H 0.505557 0.664265 0.553434 0.089 Uiso 1 1 d R U . . .
O1 O 0.0001(7) 0.3759(6) 0.8834(6) 0.067(3) Uani 1 1 d . U . . .
O2 O 0.0824(5) 0.3891(5) 0.8226(4) 0.0440(19) Uani 1 1 d . U . . .
C45 C 0.3026(8) 0.5704(7) 0.6700(7) 0.042(3) Uani 1 1 d . U . . .
N4 N 0.4166(6) 0.1738(5) 0.4594(5) 0.038(2) Uani 1 1 d . U . . .
H4 H 0.426590 0.180701 0.428283 0.045 Uiso 1 1 calc R U . . .
O34 O 0.5003(7) 0.5794(6) 0.6899(6) 0.051(2) Uani 1 1 d . U . . .
C1B C 0.3186(7) 0.8971(9) 0.3539(6) 0.043(3) Uani 1 1 d . U . . .
H1BA H 0.319456 0.924465 0.322488 0.065 Uiso 1 1 calc R U . . .
H1BB H 0.280283 0.908696 0.364698 0.065 Uiso 1 1 calc R U . . .
H1BC H 0.311341 0.855344 0.338588 0.065 Uiso 1 1 calc R U . . .
O32 O 0.4135(6) 0.0965(5) 0.6487(5) 0.047(2) Uani 1 1 d . U . . .
H32A H 0.451124 0.100115 0.691913 0.071 Uiso 1 1 d R U . . .
H32B H 0.435333 0.062116 0.634506 0.071 Uiso 1 1 d R U . . .
C13 C 0.2431(8) 0.1829(7) 0.6674(7) 0.044(3) Uani 1 1 d . U . . .
H13 H 0.243705 0.146695 0.646553 0.053 Uiso 1 1 calc R U . . .
O7 O 0.3957(6) 0.1074(5) 0.5236(5) 0.0426(19) Uani 1 1 d . U . . .
C24 C 0.4145(9) 0.2786(7) 0.4741(8) 0.049(3) Uani 1 1 d . U . . .
H24 H 0.419179 0.280506 0.436895 0.059 Uiso 1 1 calc R U . . .
C41 C 0.2041(9) 0.6208(8) 0.6819(8) 0.050(3) Uani 1 1 d . U . . .
H41 H 0.172047 0.653537 0.673594 0.060 Uiso 1 1 calc R U . . .
C39 C 0.2639(8) 0.6768(7) 0.6258(7) 0.046(3) Uani 1 1 d . U . . .
H39 H 0.236835 0.711443 0.625135 0.056 Uiso 1 1 calc R U . . .
O27 O 0.1870(6) 0.4812(5) 0.8672(5) 0.051(2) Uani 1 1 d . U . . .
H27A H 0.235362 0.491870 0.894775 0.076 Uiso 1 1 d R U . . .
H27B H 0.169619 0.468603 0.897301 0.076 Uiso 1 1 d R U . . .
C40 C 0.2555(9) 0.6226(8) 0.6578(8) 0.048(3) Uani 1 1 d . U . . .
C28 C 0.4168(10) 0.4517(8) 0.5609(9) 0.052(3) Uani 1 1 d . U . . .
C12 C 0.1927(9) 0.1913(8) 0.6900(7) 0.048(3) Uani 1 1 d . U . . .
H12 H 0.159887 0.159587 0.683979 0.058 Uiso 1 1 calc R U . . .
N2 N 0.1245(6) 0.2972(5) 0.7740(5) 0.039(2) Uani 1 1 d . U . . .
C22 C 0.4039(7) 0.0662(6) 0.4340(6) 0.042(3) Uani 1 1 d D U . . .
C29 C 0.4112(7) 0.3944(8) 0.5878(6) 0.044(2) Uani 1 1 d . U . . .
O31 O 0.2711(6) 0.1376(5) 0.5423(5) 0.051(2) Uani 1 1 d . U . . .
N3 N 0.4096(6) 0.2231(6) 0.4962(5) 0.041(2) Uani 1 1 d . U . . .
C30 C 0.4112(8) 0.3387(7) 0.5628(7) 0.041(3) Uani 1 1 d . U . . .
C26 C 0.4130(9) 0.3928(11) 0.4746(8) 0.066(4) Uani 1 1 d . U . . .
H26 H 0.409567 0.392117 0.434354 0.079 Uiso 1 1 calc R U . . .
C57 C 0.6151(8) 0.2038(8) 0.7164(8) 0.054(3) Uani 1 1 d D U . . .
H57A H 0.641993 0.183154 0.697403 0.080 Uiso 1 1 calc R U . . .
H57B H 0.624811 0.184827 0.755604 0.080 Uiso 1 1 calc R U . . .
H57C H 0.628602 0.246664 0.722631 0.080 Uiso 1 1 calc R U . . .
O36 O 0.3415(8) 0.5858(7) 0.4748(7) 0.076(3) Uani 1 1 d . U . . .
C23 C 0.4069(7) 0.1157(6) 0.4754(6) 0.037(2) Uani 1 1 d D U . . .
C42 C 0.1993(9) 0.5701(7) 0.7189(7) 0.046(3) Uani 1 1 d . U . . .
H42 H 0.166303 0.571169 0.736125 0.055 Uiso 1 1 calc R U . . .
N5 N 0.3049(7) 0.6812(7) 0.5985(6) 0.052(2) Uani 1 1 d . U . . .
O6 O 0.4265(6) 0.0101(5) 0.4682(5) 0.044(2) Uani 1 1 d . U . . .
H6 H 0.391491 -0.009086 0.466607 0.067 Uiso 1 1 calc R U . . .
C54 C 0.0716(10) 0.4477(9) 0.6793(8) 0.061(3) Uani 1 1 d D U . . .
C35 C 0.2577(6) 0.8959(6) 0.4779(5) 0.070(4) Uani 1 1 d G U . . .
H35 H 0.290248 0.918234 0.511127 0.084 Uiso 1 1 calc R U . . .
C36 C 0.2724(6) 0.8349(6) 0.4685(6) 0.068(4) Uani 1 1 d DG U . . .
C31 C 0.2237(7) 0.8015(5) 0.4188(7) 0.081(4) Uani 1 1 d G U . . .
H31 H 0.233585 0.760758 0.412502 0.097 Uiso 1 1 calc R U . . .
C32 C 0.1602(7) 0.8290(6) 0.3785(6) 0.075(4) Uani 1 1 d G U . . .
H32 H 0.127640 0.806675 0.345315 0.090 Uiso 1 1 calc R U . . .
C33 C 0.1455(6) 0.8900(7) 0.3880(6) 0.088(5) Uani 1 1 d G U . . .
H33 H 0.102997 0.908372 0.361033 0.106 Uiso 1 1 calc R U . . .
C34 C 0.1942(7) 0.9234(5) 0.4376(7) 0.086(5) Uani 1 1 d G U . . .
H34 H 0.184301 0.964152 0.443939 0.104 Uiso 1 1 calc R U . . .
C50 C 0.6523(7) 0.3892(8) 0.7157(7) 0.051(3) Uani 1 1 d D U . . .
H50A H 0.669836 0.430118 0.714594 0.077 Uiso 1 1 calc R U . . .
H50B H 0.650090 0.366155 0.680455 0.077 Uiso 1 1 calc R U . . .
H50C H 0.683840 0.368661 0.752934 0.077 Uiso 1 1 calc R U . . .
O1X O 0.2995(9) 0.5334(8) 0.9575(7) 0.081(4) Uani 1 1 d . U . . .
H1X H 0.289995 0.565592 0.970728 0.121 Uiso 1 1 calc R U . . .
O35 O 0.2723(9) 0.5663(7) 0.5262(7) 0.077(3) Uani 1 1 d . U . . .
C7 C -0.0065(9) 0.3304(9) 0.8366(9) 0.064(3) Uani 1 1 d D U . . .
C9 C 0.1357(8) 0.2485(7) 0.7467(6) 0.040(3) Uani 1 1 d . U . . .
H9 H 0.107652 0.213777 0.743345 0.048 Uiso 1 1 calc R U . . .
N1 N 0.0710(6) 0.2883(6) 0.7957(5) 0.042(2) Uani 1 1 d . U . . .
H1 H 0.050818 0.252901 0.792783 0.050 Uiso 1 1 calc R U . . .
N6 N 0.3040(8) 0.7405(7) 0.5725(6) 0.052(3) Uani 1 1 d . U . . .
H6A H 0.279301 0.769824 0.578344 0.063 Uiso 1 1 calc R U . . .
C8 C 0.0529(8) 0.3370(7) 0.8211(7) 0.045(3) Uani 1 1 d D U . . .
C60 C 0.5052(9) 0.6357(8) 0.7077(8) 0.053(3) Uani 1 1 d . U . . .
O11 O 0.3940(9) 0.8109(8) 0.4900(7) 0.081(4) Uani 1 1 d . U . . .
C53 C 0.3616(9) 0.3426(9) 0.9592(8) 0.059(4) Uani 1 1 d D U . . .
H53A H 0.394909 0.323441 0.945948 0.088 Uiso 1 1 calc R U . . .
H53B H 0.345198 0.312590 0.979993 0.088 Uiso 1 1 calc R U . . .
H53C H 0.384725 0.376055 0.986904 0.088 Uiso 1 1 calc R U . . .
C37 C 0.3364(8) 0.8101(7) 0.5116(7) 0.055(3) Uani 1 1 d D U . . .
C48 C 0.4678(12) 0.5239(10) 0.8468(9) 0.067(4) Uani 1 1 d D U . . .
C52 C 0.3021(8) 0.3660(7) 0.9065(7) 0.045(2) Uani 1 1 d D U . . .
C58 C 0.2411(9) 0.1841(8) 0.5082(8) 0.055(3) Uani 1 1 d D U . . .
C2I C 0.3494(13) 0.5467(12) 0.9295(11) 0.083(6) Uani 1 1 d . U . . .
H2IA H 0.322901 0.556043 0.886379 0.125 Uiso 1 1 calc R U . . .
H2IB H 0.379144 0.511206 0.933752 0.125 Uiso 1 1 calc R U . . .
H2IC H 0.378709 0.581503 0.949974 0.125 Uiso 1 1 calc R U . . .
C61 C 0.5534(10) 0.6536(9) 0.7710(9) 0.061(4) Uani 1 1 d . U . . .
H61A H 0.600362 0.660914 0.773203 0.091 Uiso 1 1 calc R U . . .
H61B H 0.555466 0.620871 0.798996 0.091 Uiso 1 1 calc R U . . .
H61C H 0.535957 0.690634 0.782177 0.091 Uiso 1 1 calc R U . . .
C47 C 0.4875(13) 0.2372(10) 0.8992(10) 0.076(5) Uani 1 1 d D U . . .
H47A H 0.492809 0.196868 0.884761 0.114 Uiso 1 1 calc R U . . .
H47B H 0.457597 0.234489 0.921029 0.114 Uiso 1 1 calc R U . . .
H47C H 0.533644 0.252824 0.926574 0.114 Uiso 1 1 calc R U . . .
C56 C 0.5404(7) 0.1990(6) 0.6771(6) 0.037(2) Uani 1 1 d D U . . .
C25 C 0.4130(10) 0.3353(8) 0.5042(8) 0.052(3) Uani 1 1 d . U . . .
C38 C 0.3415(10) 0.7513(8) 0.5389(9) 0.061(3) Uani 1 1 d D U . . .
O28 O 0.5192(5) 0.1785(5) 0.6208(4) 0.0402(18) Uani 1 1 d . U . . .
C16 C 0.2761(7) 0.0509(7) 0.3989(5) 0.073(4) Uani 1 1 d G U . . .
H16 H 0.283440 0.048366 0.440152 0.088 Uiso 1 1 calc R U . . .
C21 C 0.3337(5) 0.0605(7) 0.3840(5) 0.066(4) Uani 1 1 d DG U . . .
C20 C 0.3228(6) 0.0642(7) 0.3224(6) 0.082(4) Uani 1 1 d G U . . .
H20 H 0.361343 0.070722 0.312433 0.098 Uiso 1 1 calc R U . . .
C19 C 0.2543(8) 0.0583(8) 0.2757(5) 0.086(5) Uani 1 1 d G U . . .
H19 H 0.246956 0.060761 0.234444 0.104 Uiso 1 1 calc R U . . .
C18 C 0.1967(6) 0.0486(8) 0.2906(6) 0.090(5) Uani 1 1 d G U . . .
H18 H 0.150810 0.044603 0.259307 0.108 Uiso 1 1 calc R U . . .
C17 C 0.2076(6) 0.0449(8) 0.3522(7) 0.083(5) Uani 1 1 d G U . . .
H17 H 0.169051 0.038405 0.362161 0.100 Uiso 1 1 calc R U . . .
C59 C 0.1686(11) 0.1794(12) 0.4676(11) 0.087(5) Uani 1 1 d D U . . .
H59A H 0.158423 0.137994 0.451673 0.131 Uiso 1 1 calc R U . . .
H59B H 0.158038 0.207944 0.433972 0.131 Uiso 1 1 calc R U . . .
H59C H 0.139818 0.189112 0.489325 0.131 Uiso 1 1 calc R U . . .
C49 C 0.5072(15) 0.5575(13) 0.9038(11) 0.092(6) Uani 1 1 d D U . . .
H49A H 0.495636 0.541150 0.936021 0.138 Uiso 1 1 calc R U . . .
H49B H 0.494527 0.600531 0.897763 0.138 Uiso 1 1 calc R U . . .
H49C H 0.557564 0.553067 0.915484 0.138 Uiso 1 1 calc R U . . .
C55 C 0.0198(14) 0.4721(13) 0.6231(11) 0.097(5) Uani 1 1 d D U . . .
H55A H -0.026047 0.472644 0.624618 0.145 Uiso 1 1 calc R U . . .
H55B H 0.017400 0.446651 0.589256 0.145 Uiso 1 1 calc R U . . .
H55C H 0.032901 0.513497 0.617455 0.145 Uiso 1 1 calc R U . . .
C62 C 0.2809(13) 0.5667(11) 0.4736(11) 0.079(3) Uani 1 1 d . U . . .
C63 C 0.2249(17) 0.5467(15) 0.4145(14) 0.113(6) Uani 1 1 d . U . . .
H63A H 0.239812 0.509514 0.401124 0.170 Uiso 1 1 calc R U . . .
H63B H 0.216478 0.578590 0.384164 0.170 Uiso 1 1 calc R U . . .
H63C H 0.181748 0.538796 0.419391 0.170 Uiso 1 1 calc R U . . .
C2 C -0.1089(11) 0.3347(9) 0.7415(10) 0.117(6) Uani 1 1 d G U . . .
H2 H -0.087307 0.368572 0.732255 0.141 Uiso 1 1 calc R U . . .
C1 C -0.0739(9) 0.3035(10) 0.7972(8) 0.097(4) Uani 1 1 d DG U . . .
C6 C -0.1063(11) 0.2529(9) 0.8111(8) 0.117(6) Uani 1 1 d G U . . .
H6B H -0.082857 0.231937 0.848378 0.140 Uiso 1 1 calc R U . . .
C5 C -0.1736(11) 0.2335(9) 0.7693(11) 0.130(7) Uani 1 1 d G U . . .
H5 H -0.195186 0.199647 0.778592 0.156 Uiso 1 1 calc R U . . .
C4 C -0.2085(9) 0.2648(11) 0.7136(10) 0.132(7) Uani 1 1 d G U . . .
H4A H -0.253576 0.251819 0.685636 0.159 Uiso 1 1 calc R U . . .
C3 C -0.1762(11) 0.3154(10) 0.6997(8) 0.127(7) Uani 1 1 d G U . . .
H3 H -0.199638 0.336282 0.662467 0.152 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
Dy4 Dy2 3.8058(9) . ?
Dy4 Dy3 3.8069(7) . ?
Dy4 Dy6 3.6151(12) . ?
Dy4 O14 2.311(10) . ?
Dy4 O9 2.278(11) . ?
Dy4 O13 2.414(11) . ?
Dy4 O22 2.377(10) . ?
Dy4 O10 2.458(12) . ?
Dy4 O19 2.362(13) . ?
Dy4 O20 2.352(12) . ?
Dy4 O34 2.407(12) . ?
Dy5 Dy3 3.6070(8) . ?
Dy5 O29 2.586(10) . ?
Dy5 O8 2.249(9) . ?
Dy5 O30 2.459(13) . ?
Dy5 O5 2.287(10) . ?
Dy5 O32 2.364(11) . ?
Dy5 O7 2.389(10) . ?
Dy5 O31 2.450(11) . ?
Dy5 N3 2.545(12) . ?
Dy5 C58 2.829(16) . ?
Dy5 C56 2.964(12) . ?
Dy5 O28 2.491(10) . ?
Dy2 Dy1 3.6119(7) . ?
Dy2 Dy3 3.8050(7) . ?
Dy2 O17 2.340(11) . ?
Dy2 O14 2.260(10) . ?
Dy2 O15 2.463(10) . ?
Dy2 O22 2.394(8) . ?
Dy2 O4 2.301(9) . ?
Dy2 O23 2.413(9) . ?
Dy2 O3 2.406(10) . ?
Dy2 O18 2.350(12) . ?
Dy1 O15 2.301(10) . ?
Dy1 O23 2.622(9) . ?
Dy1 O3 2.232(10) . ?
Dy1 O25 2.455(11) . ?
Dy1 O24 2.464(10) . ?
Dy1 O26 2.457(11) . ?
Dy1 O2 2.382(9) . ?
Dy1 O27 2.353(11) . ?
Dy1 N2 2.550(12) . ?
Dy1 C54 2.831(17) . ?
Dy1 C52 2.958(14) . ?
Dy3 O29 2.407(10) . ?
Dy3 O9 2.307(10) . ?
Dy3 O21 2.343(10) . ?
Dy3 O8 2.386(9) . ?
Dy3 O22 2.394(11) . ?
Dy3 O4 2.254(9) . ?
Dy3 O16 2.339(11) . ?
Dy3 O5 2.448(10) . ?
Dy6 O12 2.375(13) . ?
Dy6 O13 2.223(11) . ?
Dy6 O10 2.284(12) . ?
Dy6 O33 2.452(12) . ?
Dy6 O37 2.356(12) . ?
Dy6 O34 2.638(13) . ?
Dy6 O36 2.410(15) . ?
Dy6 N5 2.533(14) . ?
Dy6 O35 2.420(16) . ?
Dy6 C60 2.959(17) . ?
Dy6 C62 2.80(2) . ?
O29 C56 1.258(16) . ?
O17 C46 1.29(2) . ?
O14 C44 1.391(18) . ?
O9 C29 1.367(15) . ?
C11 C10 1.443(19) . ?
C11 C12 1.40(2) . ?
C11 C9 1.42(2) . ?
O21 C51 1.270(18) . ?
O8 C30 1.340(18) . ?
O6AA H6AA 0.8200 . ?
O6AA C1B 1.446(14) . ?
O12 C38 1.34(2) . ?
O15 C43 1.319(18) . ?
O13 C45 1.339(19) . ?
O4 C15 1.332(16) . ?
O23 C52 1.270(18) . ?
O16 C46 1.29(2) . ?
O3 C10 1.339(16) . ?
O10 C28 1.33(2) . ?
O25 C54 1.25(2) . ?
O19 C48 1.25(2) . ?
O30 C58 1.25(2) . ?
C46 C47 1.363(19) . ?
O20 C51 1.279(19) . ?
C15 C10 1.379(19) . ?
C15 C14 1.436(19) . ?
O24 C52 1.268(18) . ?
O26 C54 1.25(2) . ?
C14 O5 1.338(17) . ?
C14 C13 1.44(2) . ?
C44 C43 1.38(2) . ?
C44 C45 1.39(2) . ?
C43 C42 1.39(2) . ?
O18 C48 1.28(2) . ?
O33 C60 1.29(2) . ?
C27 H27 0.9300 . ?
C27 C28 1.41(3) . ?
C27 C26 1.33(3) . ?
C51 C50 1.412(16) . ?
O37 H37A 1.0544 . ?
O37 H37B 1.0680 . ?
O1 C7 1.45(2) . ?
O2 C8 1.273(18) . ?
C45 C40 1.43(2) . ?
N4 H4 0.8600 . ?
N4 N3 1.425(16) . ?
N4 C23 1.351(18) . ?
O34 C60 1.28(2) . ?
C1B H1BA 0.9600 . ?
C1B H1BB 0.9600 . ?
C1B H1BC 0.9600 . ?
O32 H32A 0.9982 . ?
O32 H32B 0.9982 . ?
C13 H13 0.9300 . ?
C13 C12 1.37(2) . ?
O7 C23 1.275(17) . ?
C24 H24 0.9300 . ?
C24 N3 1.33(2) . ?
C24 C25 1.43(2) . ?
C41 H41 0.9300 . ?
C41 C40 1.40(2) . ?
C41 C42 1.44(2) . ?
C39 H39 0.9300 . ?
C39 C40 1.45(2) . ?
C39 N5 1.27(2) . ?
O27 H27A 0.9628 . ?
O27 H27B 0.9648 . ?
C28 C29 1.42(2) . ?
C12 H12 0.9300 . ?
N2 C9 1.307(18) . ?
N2 N1 1.411(17) . ?
C22 C23 1.439(16) . ?
C22 O6 1.423(17) . ?
C22 C21 1.441(15) . ?
C29 C30 1.34(2) . ?
O31 C58 1.28(2) . ?
C30 C25 1.41(2) . ?
C26 H26 0.9300 . ?
C26 C25 1.43(3) . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C57 C56 1.432(17) . ?
O36 C62 1.30(3) . ?
C42 H42 0.9300 . ?
N5 N6 1.419(19) . ?
O6 H6 0.8200 . ?
C54 C55 1.42(2) . ?
C35 H35 0.9300 . ?
C35 C36 1.3900 . ?
C35 C34 1.3900 . ?
C36 C31 1.3900 . ?
C36 C37 1.396(14) . ?
C31 H31 0.9300 . ?
C31 C32 1.3900 . ?
C32 H32 0.9300 . ?
C32 C33 1.3900 . ?
C33 H33 0.9300 . ?
C33 C34 1.3900 . ?
C34 H34 0.9300 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
O1X H1X 0.8200 . ?
O1X C2I 1.47(3) . ?
O35 C62 1.34(3) . ?
C7 C8 1.426(18) . ?
C7 C1 1.434(18) . ?
C9 H9 0.9300 . ?
N1 H1 0.8600 . ?
N1 C8 1.341(19) . ?
N6 H6A 0.8600 . ?
N6 C38 1.34(2) . ?
C60 C61 1.47(2) . ?
O11 C37 1.48(2) . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C53 C52 1.429(18) . ?
C37 C38 1.411(18) . ?
C48 C49 1.45(2) . ?
C58 C59 1.40(2) . ?
C2I H2IA 0.9600 . ?
C2I H2IB 0.9600 . ?
C2I H2IC 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C56 O28 1.302(16) . ?
C16 H16 0.9300 . ?
C16 C21 1.3900 . ?
C16 C17 1.3900 . ?
C21 C20 1.3900 . ?
C20 H20 0.9300 . ?
C20 C19 1.3900 . ?
C19 H19 0.9300 . ?
C19 C18 1.3900 . ?
C18 H18 0.9300 . ?
C18 C17 1.3900 . ?
C17 H17 0.9300 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C62 C63 1.46(4) . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C2 H2 0.9300 . ?
C2 C1 1.3900 . ?
C2 C3 1.3900 . ?
C1 C6 1.3900 . ?
C6 H6B 0.9300 . ?
C6 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C4 1.3900 . ?
C4 H4A 0.9300 . ?
C4 C3 1.3900 . ?
C3 H3 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Dy2 Dy4 Dy3 59.976(16) . . ?
Dy6 Dy4 Dy2 134.83(3) . . ?
Dy6 Dy4 Dy3 137.04(3) . . ?
O14 Dy4 Dy2 33.2(3) . . ?
O14 Dy4 Dy3 79.5(2) . . ?
O14 Dy4 Dy6 101.9(3) . . ?
O14 Dy4 O13 68.1(4) . . ?
O14 Dy4 O22 69.3(3) . . ?
O14 Dy4 O10 111.7(4) . . ?
O14 Dy4 O19 82.3(4) . . ?
O14 Dy4 O20 147.0(4) . . ?
O14 Dy4 O34 131.1(4) . . ?
O9 Dy4 Dy2 79.9(2) . . ?
O9 Dy4 Dy3 34.1(2) . . ?
O9 Dy4 Dy6 103.0(2) . . ?
O9 Dy4 O14 81.7(3) . . ?
O9 Dy4 O13 111.2(4) . . ?
O9 Dy4 O22 70.1(3) . . ?
O9 Dy4 O10 68.3(4) . . ?
O9 Dy4 O19 145.6(4) . . ?
O9 Dy4 O20 80.6(4) . . ?
O9 Dy4 O34 134.0(4) . . ?
O13 Dy4 Dy2 99.3(3) . . ?
O13 Dy4 Dy3 137.2(3) . . ?
O13 Dy4 Dy6 36.9(3) . . ?
O13 Dy4 O10 68.6(4) . . ?
O22 Dy4 Dy2 37.2(2) . . ?
O22 Dy4 Dy3 37.2(2) . . ?
O22 Dy4 Dy6 169.1(2) . . ?
O22 Dy4 O13 136.5(3) . . ?
O22 Dy4 O10 137.6(4) . . ?
O22 Dy4 O34 143.9(4) . . ?
O10 Dy4 Dy2 137.4(3) . . ?
O10 Dy4 Dy3 100.4(3) . . ?
O10 Dy4 Dy6 38.6(3) . . ?
O19 Dy4 Dy2 70.1(3) . . ?
O19 Dy4 Dy3 112.7(3) . . ?
O19 Dy4 Dy6 110.0(3) . . ?
O19 Dy4 O13 90.5(4) . . ?
O19 Dy4 O22 75.8(4) . . ?
O19 Dy4 O10 146.1(4) . . ?
O19 Dy4 O34 78.3(4) . . ?
O20 Dy4 Dy2 115.7(3) . . ?
O20 Dy4 Dy3 70.2(3) . . ?
O20 Dy4 Dy6 109.2(3) . . ?
O20 Dy4 O13 144.7(4) . . ?
O20 Dy4 O22 78.5(4) . . ?
O20 Dy4 O10 87.0(4) . . ?
O20 Dy4 O19 97.2(4) . . ?
O20 Dy4 O34 80.3(4) . . ?
O34 Dy4 Dy2 145.8(3) . . ?
O34 Dy4 Dy3 149.3(3) . . ?
O34 Dy4 Dy6 46.8(3) . . ?
O34 Dy4 O13 67.7(4) . . ?
O34 Dy4 O10 69.3(4) . . ?
O29 Dy5 Dy3 41.8(2) . . ?
O29 Dy5 C58 152.2(4) . . ?
O29 Dy5 C56 25.0(3) . . ?
O8 Dy5 Dy3 40.3(2) . . ?
O8 Dy5 O29 67.2(3) . . ?
O8 Dy5 O30 80.2(4) . . ?
O8 Dy5 O5 73.8(3) . . ?
O8 Dy5 O32 140.4(4) . . ?
O8 Dy5 O7 133.7(3) . . ?
O8 Dy5 O31 130.2(4) . . ?
O8 Dy5 N3 70.6(4) . . ?
O8 Dy5 C58 105.0(4) . . ?
O8 Dy5 C56 72.4(4) . . ?
O8 Dy5 O28 81.3(3) . . ?
O30 Dy5 Dy3 100.4(3) . . ?
O30 Dy5 O29 142.1(4) . . ?
O30 Dy5 N3 70.5(4) . . ?
O30 Dy5 C58 26.2(5) . . ?
O30 Dy5 C56 151.9(4) . . ?
O30 Dy5 O28 143.8(4) . . ?
O5 Dy5 Dy3 42.1(2) . . ?
O5 Dy5 O29 68.0(3) . . ?
O5 Dy5 O30 85.1(4) . . ?
O5 Dy5 O32 86.3(4) . . ?
O5 Dy5 O7 152.0(4) . . ?
O5 Dy5 O31 85.1(4) . . ?
O5 Dy5 N3 139.5(4) . . ?
O5 Dy5 C58 84.2(4) . . ?
O5 Dy5 C56 93.0(4) . . ?
O5 Dy5 O28 118.8(3) . . ?
O32 Dy5 Dy3 103.7(3) . . ?
O32 Dy5 O29 73.7(3) . . ?
O32 Dy5 O30 132.7(4) . . ?
O32 Dy5 O7 73.8(4) . . ?
O32 Dy5 O31 80.0(4) . . ?
O32 Dy5 N3 134.0(4) . . ?
O32 Dy5 C58 106.7(5) . . ?
O32 Dy5 C56 74.9(4) . . ?
O32 Dy5 O28 78.9(3) . . ?
O7 Dy5 Dy3 161.7(3) . . ?
O7 Dy5 O29 122.4(3) . . ?
O7 Dy5 O30 94.0(4) . . ?
O7 Dy5 O31 72.4(4) . . ?
O7 Dy5 N3 64.3(4) . . ?
O7 Dy5 C58 82.9(4) . . ?
O7 Dy5 C56 100.3(4) . . ?
O7 Dy5 O28 77.1(3) . . ?
O31 Dy5 Dy3 125.5(3) . . ?
O31 Dy5 O29 143.1(3) . . ?
O31 Dy5 O30 52.9(4) . . ?
O31 Dy5 N3 103.5(4) . . ?
O31 Dy5 C58 26.8(4) . . ?
O31 Dy5 C56 154.9(4) . . ?
O31 Dy5 O28 146.7(3) . . ?
N3 Dy5 Dy3 110.0(3) . . ?
N3 Dy5 O29 113.4(3) . . ?
N3 Dy5 C58 86.9(5) . . ?
N3 Dy5 C56 94.1(4) . . ?
C58 Dy5 Dy3 114.7(4) . . ?
C58 Dy5 C56 176.7(4) . . ?
C56 Dy5 Dy3 62.0(3) . . ?
O28 Dy5 Dy3 84.7(2) . . ?
O28 Dy5 O29 50.8(3) . . ?
O28 Dy5 N3 74.1(3) . . ?
O28 Dy5 C58 156.9(4) . . ?
O28 Dy5 C56 25.8(3) . . ?
Dy1 Dy2 Dy4 137.29(3) . . ?
Dy1 Dy2 Dy3 134.97(2) . . ?
Dy3 Dy2 Dy4 60.025(13) . . ?
O17 Dy2 Dy4 113.3(3) . . ?
O17 Dy2 Dy1 109.1(3) . . ?
O17 Dy2 Dy3 69.9(3) . . ?
O17 Dy2 O15 145.8(4) . . ?
O17 Dy2 O22 76.6(4) . . ?
O17 Dy2 O23 78.7(4) . . ?
O17 Dy2 O3 89.4(4) . . ?
O17 Dy2 O18 95.3(3) . . ?
O14 Dy2 Dy4 34.1(3) . . ?
O14 Dy2 Dy1 103.3(3) . . ?
O14 Dy2 Dy3 80.1(2) . . ?
O14 Dy2 O17 146.0(4) . . ?
O14 Dy2 O15 68.2(4) . . ?
O14 Dy2 O22 69.8(4) . . ?
O14 Dy2 O4 82.5(3) . . ?
O14 Dy2 O23 133.3(4) . . ?
O14 Dy2 O3 111.4(4) . . ?
O14 Dy2 O18 82.4(4) . . ?
O15 Dy2 Dy4 100.2(2) . . ?
O15 Dy2 Dy1 39.1(2) . . ?
O15 Dy2 Dy3 137.7(2) . . ?
O22 Dy2 Dy4 36.9(3) . . ?
O22 Dy2 Dy1 169.28(19) . . ?
O22 Dy2 Dy3 37.4(3) . . ?
O22 Dy2 O15 137.1(4) . . ?
O22 Dy2 O23 144.1(3) . . ?
O22 Dy2 O3 136.5(3) . . ?
O4 Dy2 Dy4 79.8(2) . . ?
O4 Dy2 Dy1 102.2(2) . . ?
O4 Dy2 Dy3 32.9(2) . . ?
O4 Dy2 O17 80.9(4) . . ?
O4 Dy2 O15 112.8(3) . . ?
O4 Dy2 O22 69.2(3) . . ?
O4 Dy2 O23 131.3(4) . . ?
O4 Dy2 O3 67.9(3) . . ?
O4 Dy2 O18 146.1(4) . . ?
O23 Dy2 Dy4 148.8(3) . . ?
O23 Dy2 Dy1 46.5(2) . . ?
O23 Dy2 Dy3 146.3(3) . . ?
O23 Dy2 O15 68.8(3) . . ?
O3 Dy2 Dy4 137.1(2) . . ?
O3 Dy2 Dy1 37.2(2) . . ?
O3 Dy2 Dy3 99.1(2) . . ?
O3 Dy2 O15 69.2(3) . . ?
O3 Dy2 O23 68.2(3) . . ?
O18 Dy2 Dy4 70.8(3) . . ?
O18 Dy2 Dy1 110.7(3) . . ?
O18 Dy2 Dy3 114.2(3) . . ?
O18 Dy2 O15 89.2(4) . . ?
O18 Dy2 O22 77.1(4) . . ?
O18 Dy2 O23 79.7(4) . . ?
O18 Dy2 O3 145.9(4) . . ?
O15 Dy1 Dy2 42.4(3) . . ?
O15 Dy1 O23 67.7(4) . . ?
O15 Dy1 O25 82.2(4) . . ?
O15 Dy1 O24 118.1(4) . . ?
O15 Dy1 O26 83.6(4) . . ?
O15 Dy1 O2 150.4(4) . . ?
O15 Dy1 O27 86.5(4) . . ?
O15 Dy1 N2 141.7(4) . . ?
O15 Dy1 C54 80.6(5) . . ?
O15 Dy1 C52 93.1(4) . . ?
O23 Dy1 Dy2 41.91(19) . . ?
O23 Dy1 C54 148.2(5) . . ?
O23 Dy1 C52 25.4(4) . . ?
O3 Dy1 Dy2 40.6(2) . . ?
O3 Dy1 O15 75.2(3) . . ?
O3 Dy1 O23 67.1(3) . . ?
O3 Dy1 O25 78.9(4) . . ?
O3 Dy1 O24 80.6(3) . . ?
O3 Dy1 O26 129.0(4) . . ?
O3 Dy1 O2 133.8(4) . . ?
O3 Dy1 O27 141.6(4) . . ?
O3 Dy1 N2 70.6(4) . . ?
O3 Dy1 C54 103.7(5) . . ?
O3 Dy1 C52 72.0(4) . . ?
O25 Dy1 Dy2 97.0(3) . . ?
O25 Dy1 O23 138.9(3) . . ?
O25 Dy1 O24 146.0(5) . . ?
O25 Dy1 O26 52.3(5) . . ?
O25 Dy1 N2 74.8(5) . . ?
O25 Dy1 C54 26.2(5) . . ?
O25 Dy1 C52 150.8(5) . . ?
O24 Dy1 Dy2 84.4(2) . . ?
O24 Dy1 O23 50.4(3) . . ?
O24 Dy1 N2 72.9(4) . . ?
O24 Dy1 C54 161.2(5) . . ?
O24 Dy1 C52 25.0(4) . . ?
O26 Dy1 Dy2 123.7(3) . . ?
O26 Dy1 O23 142.8(4) . . ?
O26 Dy1 O24 148.7(4) . . ?
O26 Dy1 N2 104.9(4) . . ?
O26 Dy1 C54 26.1(5) . . ?
O26 Dy1 C52 156.1(4) . . ?
O2 Dy1 Dy2 163.1(2) . . ?
O2 Dy1 O23 123.4(3) . . ?
O2 Dy1 O25 96.6(4) . . ?
O2 Dy1 O24 78.7(3) . . ?
O2 Dy1 O26 72.9(4) . . ?
O2 Dy1 N2 64.1(4) . . ?
O2 Dy1 C54 85.6(5) . . ?
O2 Dy1 C52 101.2(4) . . ?
O27 Dy1 Dy2 105.1(3) . . ?
O27 Dy1 O23 74.8(4) . . ?
O27 Dy1 O25 132.3(5) . . ?
O27 Dy1 O24 78.8(4) . . ?
O27 Dy1 O26 80.6(4) . . ?
O27 Dy1 O2 72.4(4) . . ?
O27 Dy1 N2 131.5(4) . . ?
O27 Dy1 C54 106.2(5) . . ?
O27 Dy1 C52 75.7(4) . . ?
N2 Dy1 Dy2 110.3(3) . . ?
N2 Dy1 O23 112.3(4) . . ?
N2 Dy1 C54 91.1(5) . . ?
N2 Dy1 C52 92.4(4) . . ?
C54 Dy1 Dy2 110.9(4) . . ?
C54 Dy1 C52 173.2(5) . . ?
C52 Dy1 Dy2 62.4(3) . . ?
Dy5 Dy3 Dy4 135.63(3) . . ?
Dy5 Dy3 Dy2 138.37(2) . . ?
Dy2 Dy3 Dy4 59.998(16) . . ?
O29 Dy3 Dy4 146.5(2) . . ?
O29 Dy3 Dy5 45.8(2) . . ?
O29 Dy3 Dy2 148.3(2) . . ?
O29 Dy3 O5 68.6(3) . . ?
O9 Dy3 Dy4 33.6(2) . . ?
O9 Dy3 Dy5 102.4(2) . . ?
O9 Dy3 Dy2 79.6(2) . . ?
O9 Dy3 O29 132.0(3) . . ?
O9 Dy3 O21 80.0(3) . . ?
O9 Dy3 O8 67.8(3) . . ?
O9 Dy3 O22 69.3(3) . . ?
O9 Dy3 O16 146.6(3) . . ?
O9 Dy3 O5 111.1(3) . . ?
O21 Dy3 Dy4 69.9(2) . . ?
O21 Dy3 Dy5 105.6(2) . . ?
O21 Dy3 Dy2 115.6(2) . . ?
O21 Dy3 O29 78.0(3) . . ?
O21 Dy3 O8 85.3(3) . . ?
O21 Dy3 O22 78.3(3) . . ?
O21 Dy3 O5 143.2(3) . . ?
O8 Dy3 Dy4 99.2(2) . . ?
O8 Dy3 Dy5 37.6(2) . . ?
O8 Dy3 Dy2 137.7(2) . . ?
O8 Dy3 O29 68.3(3) . . ?
O8 Dy3 O22 136.1(3) . . ?
O8 Dy3 O5 68.6(3) . . ?
O22 Dy3 Dy4 36.9(2) . . ?
O22 Dy3 Dy5 170.4(2) . . ?
O22 Dy3 Dy2 37.36(19) . . ?
O22 Dy3 O29 143.6(3) . . ?
O22 Dy3 O5 138.5(3) . . ?
O4 Dy3 Dy4 80.3(2) . . ?
O4 Dy3 Dy5 104.7(2) . . ?
O4 Dy3 Dy2 33.7(2) . . ?
O4 Dy3 O29 133.1(3) . . ?
O4 Dy3 O9 82.3(3) . . ?
O4 Dy3 O21 147.5(3) . . ?
O4 Dy3 O8 112.7(3) . . ?
O4 Dy3 O22 70.0(3) . . ?
O4 Dy3 O16 81.6(4) . . ?
O4 Dy3 O5 69.0(3) . . ?
O16 Dy3 Dy4 114.4(3) . . ?
O16 Dy3 Dy5 110.0(3) . . ?
O16 Dy3 Dy2 70.8(3) . . ?
O16 Dy3 O29 79.1(4) . . ?
O16 Dy3 O21 98.8(4) . . ?
O16 Dy3 O8 145.6(3) . . ?
O16 Dy3 O22 77.7(3) . . ?
O16 Dy3 O5 89.9(4) . . ?
O5 Dy3 Dy4 137.6(2) . . ?
O5 Dy3 Dy5 38.8(2) . . ?
O5 Dy3 Dy2 101.1(2) . . ?
O12 Dy6 Dy4 162.6(3) . . ?
O12 Dy6 O33 77.2(4) . . ?
O12 Dy6 O34 122.5(4) . . ?
O12 Dy6 O36 73.4(5) . . ?
O12 Dy6 N5 65.0(5) . . ?
O12 Dy6 O35 99.7(5) . . ?
O12 Dy6 C60 100.2(5) . . ?
O12 Dy6 C62 86.0(6) . . ?
O13 Dy6 Dy4 40.7(3) . . ?
O13 Dy6 O12 134.7(4) . . ?
O13 Dy6 O10 75.1(4) . . ?
O13 Dy6 O33 81.1(4) . . ?
O13 Dy6 O37 140.0(4) . . ?
O13 Dy6 O34 66.4(4) . . ?
O13 Dy6 O36 129.2(5) . . ?
O13 Dy6 N5 70.8(4) . . ?
O13 Dy6 O35 75.5(5) . . ?
O13 Dy6 C60 71.6(5) . . ?
O13 Dy6 C62 102.9(6) . . ?
O10 Dy6 Dy4 42.1(3) . . ?
O10 Dy6 O12 149.9(4) . . ?
O10 Dy6 O33 119.0(4) . . ?
O10 Dy6 O37 84.8(4) . . ?
O10 Dy6 O34 68.0(4) . . ?
O10 Dy6 O36 83.3(5) . . ?
O10 Dy6 N5 141.4(4) . . ?
O10 Dy6 O35 82.1(5) . . ?
O10 Dy6 C60 93.5(5) . . ?
O10 Dy6 C62 81.7(6) . . ?
O33 Dy6 Dy4 85.4(3) . . ?
O33 Dy6 O34 51.0(4) . . ?
O33 Dy6 N5 72.9(4) . . ?
O33 Dy6 C60 25.5(4) . . ?
O33 Dy6 C62 159.1(6) . . ?
O37 Dy6 Dy4 103.1(3) . . ?
O37 Dy6 O12 73.1(5) . . ?
O37 Dy6 O33 79.1(4) . . ?
O37 Dy6 O34 74.1(4) . . ?
O37 Dy6 O36 80.7(5) . . ?
O37 Dy6 N5 133.5(4) . . ?
O37 Dy6 O35 136.0(5) . . ?
O37 Dy6 C60 75.6(5) . . ?
O37 Dy6 C62 108.0(6) . . ?
O34 Dy6 Dy4 41.7(3) . . ?
O34 Dy6 C60 25.6(4) . . ?
O34 Dy6 C62 149.4(6) . . ?
O36 Dy6 Dy4 123.3(4) . . ?
O36 Dy6 O33 148.0(5) . . ?
O36 Dy6 O34 142.9(5) . . ?
O36 Dy6 N5 104.9(5) . . ?
O36 Dy6 O35 56.2(5) . . ?
O36 Dy6 C60 156.3(5) . . ?
O36 Dy6 C62 27.7(6) . . ?
N5 Dy6 Dy4 110.7(3) . . ?
N5 Dy6 O34 112.2(4) . . ?
N5 Dy6 C60 92.3(5) . . ?
N5 Dy6 C62 88.8(6) . . ?
O35 Dy6 Dy4 94.6(4) . . ?
O35 Dy6 O33 143.0(5) . . ?
O35 Dy6 O34 136.0(5) . . ?
O35 Dy6 N5 72.6(5) . . ?
O35 Dy6 C60 146.8(5) . . ?
O35 Dy6 C62 28.5(6) . . ?
C60 Dy6 Dy4 62.6(3) . . ?
C62 Dy6 Dy4 111.1(5) . . ?
C62 Dy6 C60 173.5(6) . . ?
Dy3 O29 Dy5 92.4(3) . . ?
C56 O29 Dy5 94.5(8) . . ?
C56 O29 Dy3 136.2(9) . . ?
C46 O17 Dy2 140.5(10) . . ?
Dy2 O14 Dy4 112.7(4) . . ?
C44 O14 Dy4 117.7(9) . . ?
C44 O14 Dy2 117.8(9) . . ?
Dy4 O9 Dy3 112.2(3) . . ?
C29 O9 Dy4 118.6(9) . . ?
C29 O9 Dy3 115.8(10) . . ?
C12 C11 C10 116.5(13) . . ?
C12 C11 C9 121.4(14) . . ?
C9 C11 C10 122.1(13) . . ?
C51 O21 Dy3 140.4(9) . . ?
Dy5 O8 Dy3 102.2(4) . . ?
C30 O8 Dy5 139.4(9) . . ?
C30 O8 Dy3 116.7(8) . . ?
C1B O6AA H6AA 109.5 . . ?
C38 O12 Dy6 125.1(11) . . ?
Dy1 O15 Dy2 98.5(4) . . ?
C43 O15 Dy2 114.4(9) . . ?
C43 O15 Dy1 144.6(10) . . ?
Dy6 O13 Dy4 102.4(4) . . ?
C45 O13 Dy4 116.0(9) . . ?
C45 O13 Dy6 139.5(10) . . ?
Dy4 O22 Dy2 105.8(4) . . ?
Dy4 O22 Dy3 105.9(3) . . ?
Dy2 O22 Dy3 105.3(4) . . ?
Dy3 O4 Dy2 113.3(4) . . ?
C15 O4 Dy2 117.4(8) . . ?
C15 O4 Dy3 119.4(8) . . ?
Dy2 O23 Dy1 91.6(3) . . ?
C52 O23 Dy2 136.5(10) . . ?
C52 O23 Dy1 92.3(8) . . ?
C46 O16 Dy3 139.1(10) . . ?
Dy1 O3 Dy2 102.2(4) . . ?
C10 O3 Dy2 116.2(8) . . ?
C10 O3 Dy1 139.6(9) . . ?
Dy6 O10 Dy4 99.3(4) . . ?
C28 O10 Dy4 113.3(10) . . ?
C28 O10 Dy6 145.9(11) . . ?
C54 O25 Dy1 93.9(11) . . ?
C48 O19 Dy4 138.5(13) . . ?
C58 O30 Dy5 93.7(10) . . ?
O17 C46 C47 121.6(17) . . ?
O16 C46 O17 119.4(14) . . ?
O16 C46 C47 118.9(17) . . ?
C51 O20 Dy4 139.1(10) . . ?
O4 C15 C10 120.1(12) . . ?
O4 C15 C14 117.9(12) . . ?
C10 C15 C14 121.9(12) . . ?
C52 O24 Dy1 99.9(9) . . ?
O3 C10 C11 123.6(12) . . ?
O3 C10 C15 115.7(12) . . ?
C15 C10 C11 120.4(12) . . ?
C54 O26 Dy1 93.9(10) . . ?
C15 C14 C13 117.1(13) . . ?
O5 C14 C15 117.2(12) . . ?
O5 C14 C13 125.8(12) . . ?
Dy5 O5 Dy3 99.2(4) . . ?
C14 O5 Dy5 146.6(9) . . ?
C14 O5 Dy3 113.0(8) . . ?
C43 C44 O14 118.4(13) . . ?
C43 C44 C45 125.3(14) . . ?
C45 C44 O14 116.3(14) . . ?
O15 C43 C44 117.5(13) . . ?
O15 C43 C42 125.0(14) . . ?
C44 C43 C42 117.4(14) . . ?
C48 O18 Dy2 137.2(12) . . ?
C60 O33 Dy6 99.8(10) . . ?
C28 C27 H27 119.2 . . ?
C26 C27 H27 119.2 . . ?
C26 C27 C28 121.6(19) . . ?
O21 C51 O20 119.7(11) . . ?
O21 C51 C50 119.4(14) . . ?
O20 C51 C50 120.9(14) . . ?
Dy6 O37 H37A 117.6 . . ?
Dy6 O37 H37B 118.3 . . ?
H37A O37 H37B 95.3 . . ?
C8 O2 Dy1 124.8(9) . . ?
O13 C45 C44 118.4(14) . . ?
O13 C45 C40 123.0(14) . . ?
C44 C45 C40 118.3(14) . . ?
N3 N4 H4 121.5 . . ?
C23 N4 H4 121.5 . . ?
C23 N4 N3 117.1(11) . . ?
Dy4 O34 Dy6 91.4(4) . . ?
C60 O34 Dy4 137.6(11) . . ?
C60 O34 Dy6 91.4(10) . . ?
O6AA C1B H1BA 109.5 . . ?
O6AA C1B H1BB 109.5 . . ?
O6AA C1B H1BC 109.5 . . ?
H1BA C1B H1BB 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 109.5 . . ?
Dy5 O32 H32A 115.7 . . ?
Dy5 O32 H32B 116.0 . . ?
H32A O32 H32B 98.1 . . ?
C14 C13 H13 120.2 . . ?
C12 C13 C14 119.5(14) . . ?
C12 C13 H13 120.2 . . ?
C23 O7 Dy5 124.8(9) . . ?
N3 C24 H24 118.2 . . ?
N3 C24 C25 123.6(15) . . ?
C25 C24 H24 118.2 . . ?
C40 C41 H41 119.0 . . ?
C40 C41 C42 122.1(15) . . ?
C42 C41 H41 119.0 . . ?
C40 C39 H39 117.2 . . ?
N5 C39 H39 117.2 . . ?
N5 C39 C40 125.7(15) . . ?
Dy1 O27 H27A 114.1 . . ?
Dy1 O27 H27B 115.0 . . ?
H27A O27 H27B 99.4 . . ?
C45 C40 C39 121.6(15) . . ?
C41 C40 C45 117.3(15) . . ?
C41 C40 C39 121.0(15) . . ?
O10 C28 C27 126.3(17) . . ?
O10 C28 C29 118.7(15) . . ?
C27 C28 C29 115.0(16) . . ?
C11 C12 H12 117.8 . . ?
C13 C12 C11 124.4(15) . . ?
C13 C12 H12 117.8 . . ?
C9 N2 Dy1 132.4(10) . . ?
C9 N2 N1 113.6(12) . . ?
N1 N2 Dy1 114.0(8) . . ?
C23 C22 C21 111.6(12) . . ?
O6 C22 C23 109.3(11) . . ?
O6 C22 C21 112.0(12) . . ?
O9 C29 C28 116.1(15) . . ?
C30 C29 O9 119.5(14) . . ?
C30 C29 C28 124.4(13) . . ?
C58 O31 Dy5 93.4(9) . . ?
N4 N3 Dy5 114.3(8) . . ?
C24 N3 Dy5 133.0(10) . . ?
C24 N3 N4 112.7(12) . . ?
O8 C30 C29 116.4(13) . . ?
O8 C30 C25 124.0(14) . . ?
C29 C30 C25 119.3(14) . . ?
C27 C26 H26 118.7 . . ?
C27 C26 C25 122.7(17) . . ?
C25 C26 H26 118.7 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
C62 O36 Dy6 93.0(13) . . ?
N4 C23 C22 117.7(12) . . ?
O7 C23 N4 119.4(12) . . ?
O7 C23 C22 122.7(12) . . ?
C43 C42 C41 119.6(15) . . ?
C43 C42 H42 120.2 . . ?
C41 C42 H42 120.2 . . ?
C39 N5 Dy6 132.8(11) . . ?
C39 N5 N6 113.6(14) . . ?
N6 N5 Dy6 113.5(10) . . ?
C22 O6 H6 109.5 . . ?
O25 C54 Dy1 59.9(9) . . ?
O25 C54 C55 122.2(19) . . ?
O26 C54 Dy1 60.0(9) . . ?
O26 C54 O25 119.6(16) . . ?
O26 C54 C55 118.1(19) . . ?
C55 C54 Dy1 176.9(17) . . ?
C36 C35 H35 120.0 . . ?
C36 C35 C34 120.0 . . ?
C34 C35 H35 120.0 . . ?
C35 C36 C37 116.7(11) . . ?
C31 C36 C35 120.0 . . ?
C31 C36 C37 123.3(11) . . ?
C36 C31 H31 120.0 . . ?
C32 C31 C36 120.0 . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 120.0 . . ?
C34 C33 H33 120.0 . . ?
C35 C34 H34 120.0 . . ?
C33 C34 C35 120.0 . . ?
C33 C34 H34 120.0 . . ?
C51 C50 H50A 109.5 . . ?
C51 C50 H50B 109.5 . . ?
C51 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C2I O1X H1X 109.5 . . ?
C62 O35 Dy6 91.8(13) . . ?
C8 C7 O1 108.4(14) . . ?
C8 C7 C1 125.0(17) . . ?
C1 C7 O1 122.1(16) . . ?
C11 C9 H9 117.3 . . ?
N2 C9 C11 125.4(13) . . ?
N2 C9 H9 117.3 . . ?
N2 N1 H1 121.1 . . ?
C8 N1 N2 117.8(12) . . ?
C8 N1 H1 121.1 . . ?
N5 N6 H6A 119.7 . . ?
C38 N6 N5 120.6(14) . . ?
C38 N6 H6A 119.7 . . ?
O2 C8 C7 122.3(14) . . ?
O2 C8 N1 119.0(13) . . ?
N1 C8 C7 118.0(14) . . ?
O33 C60 Dy6 54.7(8) . . ?
O33 C60 C61 120.8(16) . . ?
O34 C60 Dy6 63.0(9) . . ?
O34 C60 O33 117.7(15) . . ?
O34 C60 C61 121.2(16) . . ?
C61 C60 Dy6 171.9(13) . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
C36 C37 O11 112.8(14) . . ?
C36 C37 C38 123.4(15) . . ?
C38 C37 O11 104.9(14) . . ?
O19 C48 O18 123.3(18) . . ?
O19 C48 C49 123(2) . . ?
O18 C48 C49 114(2) . . ?
O23 C52 Dy1 62.3(7) . . ?
O23 C52 C53 119.0(14) . . ?
O24 C52 Dy1 55.1(7) . . ?
O24 C52 O23 117.5(13) . . ?
O24 C52 C53 123.4(15) . . ?
C53 C52 Dy1 175.9(12) . . ?
O30 C58 Dy5 60.2(9) . . ?
O30 C58 O31 119.9(15) . . ?
O30 C58 C59 121.7(18) . . ?
O31 C58 Dy5 59.8(8) . . ?
O31 C58 C59 118.3(18) . . ?
C59 C58 Dy5 177.6(16) . . ?
O1X C2I H2IA 109.5 . . ?
O1X C2I H2IB 109.5 . . ?
O1X C2I H2IC 109.5 . . ?
H2IA C2I H2IB 109.5 . . ?
H2IA C2I H2IC 109.5 . . ?
H2IB C2I H2IC 109.5 . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O29 C56 Dy5 60.4(7) . . ?
O29 C56 C57 123.0(13) . . ?
O29 C56 O28 116.8(11) . . ?
C57 C56 Dy5 176.4(11) . . ?
O28 C56 Dy5 56.4(6) . . ?
O28 C56 C57 120.2(13) . . ?
C24 C25 C26 119.7(16) . . ?
C30 C25 C24 123.7(16) . . ?
C30 C25 C26 116.6(16) . . ?
O12 C38 N6 115.4(15) . . ?
O12 C38 C37 125.9(17) . . ?
N6 C38 C37 118.7(17) . . ?
C56 O28 Dy5 97.8(8) . . ?
C21 C16 H16 120.0 . . ?
C21 C16 C17 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C21 C22 118.1(11) . . ?
C20 C21 C22 121.9(11) . . ?
C20 C21 C16 120.0 . . ?
C21 C20 H20 120.0 . . ?
C19 C20 C21 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C19 H19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C18 H18 120.0 . . ?
C19 C18 C17 120.0 . . ?
C17 C18 H18 120.0 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
O36 C62 Dy6 59.2(11) . . ?
O36 C62 O35 119(2) . . ?
O36 C62 C63 118(2) . . ?
O35 C62 Dy6 59.7(12) . . ?
O35 C62 C63 123(2) . . ?
C63 C62 Dy6 178(2) . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C1 C2 H2 120.0 . . ?
C1 C2 C3 120.0 . . ?
C3 C2 H2 120.0 . . ?
C2 C1 C7 113.6(16) . . ?
C2 C1 C6 120.0 . . ?
C6 C1 C7 126.4(16) . . ?
C1 C6 H6B 120.0 . . ?
C1 C6 C5 120.0 . . ?
C5 C6 H6B 120.0 . . ?
C6 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C4 H4A 120.0 . . ?
C5 C4 C3 120.0 . . ?
C3 C4 H4A 120.0 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy4 O14 C44 C43 -159.3(11) . . . . ?
Dy4 O14 C44 C45 20.4(17) . . . . ?
Dy4 O9 C29 C28 -20.5(16) . . . . ?
Dy4 O9 C29 C30 159.4(11) . . . . ?
Dy4 O13 C45 C44 -6.0(18) . . . . ?
Dy4 O13 C45 C40 167.5(12) . . . . ?
Dy4 O10 C28 C27 -167.6(16) . . . . ?
Dy4 O10 C28 C29 13(2) . . . . ?
Dy4 O19 C48 O18 0(4) . . . . ?
Dy4 O19 C48 C49 174.3(17) . . . . ?
Dy4 O20 C51 O21 -11(2) . . . . ?
Dy4 O20 C51 C50 170.6(11) . . . . ?
Dy4 O34 C60 Dy6 -93.7(14) . . . . ?
Dy4 O34 C60 O33 -95.7(19) . . . . ?
Dy4 O34 C60 C61 78(2) . . . . ?
Dy5 O29 C56 C57 178.9(13) . . . . ?
Dy5 O29 C56 O28 -0.3(12) . . . . ?
Dy5 O8 C30 C29 155.2(11) . . . . ?
Dy5 O8 C30 C25 -31(2) . . . . ?
Dy5 O30 C58 O31 -1.4(17) . . . . ?
Dy5 O30 C58 C59 -178.2(18) . . . . ?
Dy5 O7 C23 N4 1.1(18) . . . . ?
Dy5 O7 C23 C22 -173.6(9) . . . . ?
Dy5 O31 C58 O30 1.4(17) . . . . ?
Dy5 O31 C58 C59 178.3(17) . . . . ?
Dy2 O17 C46 O16 7(3) . . . . ?
Dy2 O17 C46 C47 -176.8(15) . . . . ?
Dy2 O14 C44 C43 -18.9(18) . . . . ?
Dy2 O14 C44 C45 160.8(11) . . . . ?
Dy2 O15 C43 C44 10.0(17) . . . . ?
Dy2 O15 C43 C42 -166.0(12) . . . . ?
Dy2 O4 C15 C10 17.1(16) . . . . ?
Dy2 O4 C15 C14 -159.3(10) . . . . ?
Dy2 O23 C52 Dy1 -94.7(11) . . . . ?
Dy2 O23 C52 O24 -95.7(16) . . . . ?
Dy2 O23 C52 C53 80.9(18) . . . . ?
Dy2 O3 C10 C11 166.7(10) . . . . ?
Dy2 O3 C10 C15 -7.5(15) . . . . ?
Dy2 O18 C48 O19 4(3) . . . . ?
Dy2 O18 C48 C49 -171.0(15) . . . . ?
Dy1 O15 C43 C44 -146.8(13) . . . . ?
Dy1 O15 C43 C42 37(3) . . . . ?
Dy1 O23 C52 O24 -1.0(14) . . . . ?
Dy1 O23 C52 C53 175.6(14) . . . . ?
Dy1 O3 C10 C11 -33(2) . . . . ?
Dy1 O3 C10 C15 153.2(10) . . . . ?
Dy1 O25 C54 O26 -6.0(19) . . . . ?
Dy1 O25 C54 C55 177(2) . . . . ?
Dy1 O24 C52 O23 1.1(15) . . . . ?
Dy1 O24 C52 C53 -175.4(14) . . . . ?
Dy1 O26 C54 O25 6.0(19) . . . . ?
Dy1 O26 C54 C55 -177.2(19) . . . . ?
Dy1 O2 C8 C7 -177.1(11) . . . . ?
Dy1 O2 C8 N1 -7.0(19) . . . . ?
Dy1 N2 C9 C11 3(2) . . . . ?
Dy1 N2 N1 C8 2.5(15) . . . . ?
Dy3 O29 C56 Dy5 -98.3(11) . . . . ?
Dy3 O29 C56 C57 80.6(18) . . . . ?
Dy3 O29 C56 O28 -98.6(14) . . . . ?
Dy3 O9 C29 C28 -158.5(11) . . . . ?
Dy3 O9 C29 C30 21.3(15) . . . . ?
Dy3 O21 C51 O20 11(2) . . . . ?
Dy3 O21 C51 C50 -170.9(10) . . . . ?
Dy3 O8 C30 C29 -6.3(17) . . . . ?
Dy3 O8 C30 C25 167.1(13) . . . . ?
Dy3 O4 C15 C10 160.5(10) . . . . ?
Dy3 O4 C15 C14 -15.8(16) . . . . ?
Dy3 O16 C46 O17 -5(3) . . . . ?
Dy3 O16 C46 C47 178.5(14) . . . . ?
Dy6 O12 C38 N6 -3(2) . . . . ?
Dy6 O12 C38 C37 177.4(13) . . . . ?
Dy6 O13 C45 C44 153.4(12) . . . . ?
Dy6 O13 C45 C40 -33(2) . . . . ?
Dy6 O10 C28 C27 31(3) . . . . ?
Dy6 O10 C28 C29 -147.9(14) . . . . ?
Dy6 O33 C60 O34 2.3(17) . . . . ?
Dy6 O33 C60 C61 -171.9(14) . . . . ?
Dy6 O34 C60 O33 -2.1(16) . . . . ?
Dy6 O34 C60 C61 172.1(16) . . . . ?
Dy6 O36 C62 O35 0(2) . . . . ?
Dy6 O36 C62 C63 180(2) . . . . ?
Dy6 N5 N6 C38 6.0(18) . . . . ?
Dy6 O35 C62 O36 0(2) . . . . ?
Dy6 O35 C62 C63 -180(2) . . . . ?
O29 C56 O28 Dy5 0.4(13) . . . . ?
O14 C44 C43 O15 5(2) . . . . ?
O14 C44 C43 C42 -178.8(13) . . . . ?
O14 C44 C45 O13 -9(2) . . . . ?
O14 C44 C45 C40 177.2(13) . . . . ?
O9 C29 C30 O8 -10(2) . . . . ?
O9 C29 C30 C25 176.5(13) . . . . ?
O8 C30 C25 C24 6(3) . . . . ?
O8 C30 C25 C26 -174.6(15) . . . . ?
O15 C43 C42 C41 177.8(14) . . . . ?
O13 C45 C40 C41 -172.1(15) . . . . ?
O13 C45 C40 C39 4(2) . . . . ?
O4 C15 C10 C11 179.7(12) . . . . ?
O4 C15 C10 O3 -6.0(19) . . . . ?
O4 C15 C14 O5 0.5(19) . . . . ?
O4 C15 C14 C13 -179.0(12) . . . . ?
O10 C28 C29 O9 3(2) . . . . ?
O10 C28 C29 C30 -176.5(16) . . . . ?
C15 C14 O5 Dy5 -150.3(12) . . . . ?
C15 C14 O5 Dy3 13.1(15) . . . . ?
C15 C14 C13 C12 -3(2) . . . . ?
C10 C11 C12 C13 0(2) . . . . ?
C10 C11 C9 N2 7(2) . . . . ?
C10 C15 C14 O5 -175.8(13) . . . . ?
C10 C15 C14 C13 5(2) . . . . ?
C14 C15 C10 C11 -4(2) . . . . ?
C14 C15 C10 O3 170.2(12) . . . . ?
C14 C13 C12 C11 0(2) . . . . ?
O5 C14 C13 C12 177.7(14) . . . . ?
C44 C43 C42 C41 2(2) . . . . ?
C44 C45 C40 C41 1(2) . . . . ?
C44 C45 C40 C39 177.0(15) . . . . ?
C43 C44 C45 O13 170.6(15) . . . . ?
C43 C44 C45 C40 -3(2) . . . . ?
C27 C28 C29 O9 -175.8(15) . . . . ?
C27 C28 C29 C30 4(2) . . . . ?
C27 C26 C25 C24 -174(2) . . . . ?
C27 C26 C25 C30 6(2) . . . . ?
O1 C7 C8 O2 -32(2) . . . . ?
O1 C7 C8 N1 157.8(14) . . . . ?
O1 C7 C1 C2 92.6(19) . . . . ?
O1 C7 C1 C6 -85(2) . . . . ?
C45 C44 C43 O15 -174.8(15) . . . . ?
C45 C44 C43 C42 2(2) . . . . ?
C13 C14 O5 Dy5 29(2) . . . . ?
C13 C14 O5 Dy3 -167.4(12) . . . . ?
C39 N5 N6 C38 -176.0(16) . . . . ?
C40 C41 C42 C43 -3(2) . . . . ?
C40 C39 N5 Dy6 -1(3) . . . . ?
C40 C39 N5 N6 -178.2(15) . . . . ?
C28 C27 C26 C25 -5(3) . . . . ?
C28 C29 C30 O8 170.0(16) . . . . ?
C28 C29 C30 C25 -4(2) . . . . ?
C12 C11 C10 O3 -172.3(13) . . . . ?
C12 C11 C10 C15 2(2) . . . . ?
C12 C11 C9 N2 -176.4(14) . . . . ?
N2 N1 C8 O2 2(2) . . . . ?
N2 N1 C8 C7 172.9(13) . . . . ?
C22 C21 C20 C19 179.7(14) . . . . ?
C29 C30 C25 C24 178.8(15) . . . . ?
C29 C30 C25 C26 -1(2) . . . . ?
N3 N4 C23 O7 -3.4(19) . . . . ?
N3 N4 C23 C22 171.5(11) . . . . ?
N3 C24 C25 C30 5(3) . . . . ?
N3 C24 C25 C26 -175.1(16) . . . . ?
C26 C27 C28 O10 -178.7(19) . . . . ?
C26 C27 C28 C29 0(3) . . . . ?
C57 C56 O28 Dy5 -178.9(12) . . . . ?
C23 N4 N3 Dy5 3.9(14) . . . . ?
C23 N4 N3 C24 -175.0(13) . . . . ?
C23 C22 C21 C16 -57.5(15) . . . . ?
C23 C22 C21 C20 122.8(12) . . . . ?
C42 C41 C40 C45 2(2) . . . . ?
C42 C41 C40 C39 -173.9(15) . . . . ?
N5 C39 C40 C45 10(3) . . . . ?
N5 C39 C40 C41 -174.4(16) . . . . ?
N5 N6 C38 O12 -2(2) . . . . ?
N5 N6 C38 C37 177.1(15) . . . . ?
O6 C22 C23 N4 153.2(12) . . . . ?
O6 C22 C23 O7 -32.0(18) . . . . ?
O6 C22 C21 C16 65.5(14) . . . . ?
O6 C22 C21 C20 -114.3(12) . . . . ?
C35 C36 C31 C32 0.0 . . . . ?
C35 C36 C37 O11 -99.3(15) . . . . ?
C35 C36 C37 C38 133.1(16) . . . . ?
C36 C35 C34 C33 0.0 . . . . ?
C36 C31 C32 C33 0.0 . . . . ?
C36 C37 C38 O12 119(2) . . . . ?
C36 C37 C38 N6 -61(2) . . . . ?
C31 C36 C37 O11 82.2(16) . . . . ?
C31 C36 C37 C38 -45(2) . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C33 C34 C35 0.0 . . . . ?
C34 C35 C36 C31 0.0 . . . . ?
C34 C35 C36 C37 -178.6(14) . . . . ?
C7 C1 C6 C5 177(2) . . . . ?
C9 C11 C10 O3 5(2) . . . . ?
C9 C11 C10 C15 178.5(13) . . . . ?
C9 C11 C12 C13 -176.7(15) . . . . ?
C9 N2 N1 C8 -176.1(13) . . . . ?
N1 N2 C9 C11 -178.8(13) . . . . ?
C8 C7 C1 C2 -61(2) . . . . ?
C8 C7 C1 C6 122(2) . . . . ?
O11 C37 C38 O12 -12(2) . . . . ?
O11 C37 C38 N6 168.6(16) . . . . ?
C37 C36 C31 C32 178.5(15) . . . . ?
C25 C24 N3 Dy5 5(2) . . . . ?
C25 C24 N3 N4 -176.6(14) . . . . ?
C16 C21 C20 C19 0.0 . . . . ?
C21 C22 C23 N4 -82.3(16) . . . . ?
C21 C22 C23 O7 92.5(17) . . . . ?
C21 C16 C17 C18 0.0 . . . . ?
C21 C20 C19 C18 0.0 . . . . ?
C20 C19 C18 C17 0.0 . . . . ?
C19 C18 C17 C16 0.0 . . . . ?
C17 C16 C21 C22 -179.7(14) . . . . ?
C17 C16 C21 C20 0.0 . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
C1 C7 C8 O2 124(2) . . . . ?
C1 C7 C8 N1 -46(3) . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C1 C6 C5 C4 0.0 . . . . ?
C6 C5 C4 C3 0.0 . . . . ?
C5 C4 C3 C2 0.0 . . . . ?
C3 C2 C1 C7 -177.4(19) . . . . ?
C3 C2 C1 C6 0.0 . . . . ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_platon_squeeze_details          ?
_platon_squeeze_special_details  ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.454 0.500 876 283 ' '
2 0.000 0.924 0.500 24 7 ' '
3 0.125 0.021 0.134 17 11 ' '
4 0.185 0.175 0.119 27 10 ' '
5 0.500 0.954 0.000 876 283 ' '
6 0.315 0.673 0.380 28 11 ' '
7 0.377 0.518 0.366 17 11 ' '
8 0.500 0.424 1.000 24 7 ' '
9 0.625 0.521 0.634 17 11 ' '
10 0.685 0.675 0.619 27 10 ' '
11 0.815 0.173 0.880 28 11 ' '
12 0.877 0.018 0.866 17 11 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.578
_oxdiff_exptl_absorpt_empirical_full_min 0.752
####################################################################### 
# 
# 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_20211231-lfp-lbf-121314_sq
_database_code_depnum_ccdc_archive 'CCDC 2194451'
loop_
_audit_author_name
_audit_author_address
'Zhong-Hong Zhu'
;Guangxi Normal University
China
;
_audit_update_record             
;
2022-09-06 deposited with the CCDC.	2022-09-25 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT420_20211231-lfp-lbf-121314_sq 
;
PROBLEM: ALERT_2_B D-H Bond Without Acceptor O27 --H27B . Please Check
ALERT_2_B D-H Bond Without Acceptor O32 --H32A . Please Check
ALERT_2_B D-H Bond Without Acceptor O37 --H37A . Please Check
RESPONSE: This problem may arise from the disordered nature of 
O27 and H27B, O32 and H32A, O37 and H37A atoms. 
;
_vrf_PLAT987_20211231-lfp-lbf-121314_sq 
;
PROBLEM: ALERT_1_B The Flack x is >> 0 - Do a BASF/TWIN Refinement Please Check 
RESPONSE: This alert may be caused by the low quality of data. 
;
# Added during the CSD deposition process: Tuesday February 09 2021 21:36 PM
# end Validation Reply Form


_audit_creation_date             2022-07-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C63 H60 Dy6 N6 O37, 2(C H4 O)'
_chemical_formula_sum            'C65 H68 Dy6 N6 O39'
_chemical_formula_weight         2532.25
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N Dy'
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           5
_space_group_name_H-M_alt        'I 1 2 1'
_space_group_name_Hall           'I 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'

_cell_length_a                   20.6231(3)
_cell_length_b                   21.5982(2)
_cell_length_c                   23.8030(4)
_cell_angle_alpha                90
_cell_angle_beta                 114.7848(19)
_cell_angle_gamma                90
_cell_volume                     9625.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    53011
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.7590
_cell_measurement_theta_min      2.1680
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.678
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55801
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.747
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4832
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_unetI/netI     0.0333
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.860
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            77906
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.820
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.542
_diffrn_reflns_theta_min         1.976
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.860
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -34.00  15.00   0.50   13.00    --   10.14 -37.00  30.00   98
  2  ω    -21.00  49.00   0.50   13.00    --   10.14 -99.00  30.00  140
  3  ω    -22.00  29.00   0.50   13.00    --   -9.36 -99.00 -90.00  102
  4  ω     11.00  49.00   0.50   13.00    --   10.14 -99.00-180.00   76
  5  ω    -49.00   5.00   0.50   13.00    --   10.14 -19.00 -90.00  108
  6  ω     21.00  84.00   0.50   13.00    --   10.14  67.00-170.00  126
  7  ω    -59.00  35.00   0.50   13.00    --   10.14 -67.00  55.00  188
  8  ω    -55.00   5.00   0.50   13.00    --   10.14 -19.00 150.00  120
  9  ω    -65.00  -4.00   0.50   13.00    --   10.14 -19.00  90.00  122
 10  ω    -67.00 -37.00   0.50   13.00    --   10.14 -37.00  30.00   60
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0117411000
_diffrn_orient_matrix_UB_12      -0.0134157000
_diffrn_orient_matrix_UB_13      -0.0213293000
_diffrn_orient_matrix_UB_21      0.0287273000
_diffrn_orient_matrix_UB_22      0.0213763000
_diffrn_orient_matrix_UB_23      0.0093553000
_diffrn_orient_matrix_UB_31      0.0217160000
_diffrn_orient_matrix_UB_32      -0.0210067000
_diffrn_orient_matrix_UB_33      0.0231275000
_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              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.863
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.779
_reflns_number_gt                21477
_reflns_number_total             24189
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         4.111
_refine_diff_density_min         -1.744
_refine_diff_density_rms         0.230
_refine_ls_abs_structure_details 
;
 Flack x determined using 9295 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.029(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1025
_refine_ls_number_reflns         24189
_refine_ls_number_restraints     1145
_refine_ls_R_factor_all          0.0494
_refine_ls_R_factor_gt           0.0420
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0953P)²+10.7745P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1254
_refine_ls_wR_factor_ref         0.1353
_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, All O(H) groups, All O(H,H) groups
2. Restrained distances
 C7-C6
 1.5 with sigma of 0.02
 C6-C7
 1.2 with sigma of 0.02
3. Rigid bond restraints
 C2, C3, C4, C5, C6, C1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C62, C63
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C6, C7
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C43 \\sim C10 \\sim C14 \\sim C45 \\sim C44 \\sim C15 \\sim C28 \\sim C50 \\sim
C12 \\sim C27 \\sim C13 \\sim C40 \\sim C56 \\sim C39 \\sim C9 \\sim C11 \\sim
C42 \\sim C24 \\sim C29 \\sim C23 \\sim C48 \\sim C41 \\sim C26 \\sim C25 \\sim
C46 \\sim C30 \\sim C61 \\sim C51 \\sim C22 \\sim C60 \\sim C53 \\sim C8 \\sim
C37 \\sim C57 \\sim C38 \\sim C58 \\sim C7 \\sim C21 \\sim C20 \\sim C19 \\sim
C18 \\sim C17 \\sim C16 \\sim C54 \\sim C52 \\sim C49 \\sim C64 \\sim C31 \\sim
C36 \\sim C35 \\sim C34 \\sim C33 \\sim C32 \\sim C47 \\sim C1 \\sim C2 \\sim
C3 \\sim C4 \\sim C5 \\sim C6 \\sim C59 \\sim C55 \\sim C4BA \\sim C62 \\sim
C63: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02 within
3.8A
Uanis(C47) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C6) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C3) \\sim
Ueq, Uanis(C4) \\sim Ueq, Uanis(C5) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C31) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C20) \\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C16)
\\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C19) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C36) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C33)
\\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C34) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C55) \\sim Ueq, Uanis(C54) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O11) \\sim Ueq, Uanis(C49) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O2AA) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C59) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C62) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C63) \\sim Ueq, Uanis(C62) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
Uanis(C63) \\sim Ueq, Uanis(C62) \\sim Ueq, Uanis(C46) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.002
Uanis(C7) \\sim Ueq, Uanis(C6) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(C6) \\sim Ueq, Uanis(C7) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
Uanis(O32) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O27) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O37) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O36) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C63) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O11) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O1) \\sim Ueq: with sigma of 0.0001 and sigma for terminal atoms of 0.0002
Uanis(C61) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
5.a Rotating group:
 O37(H37a,H37b), O32(H32a), O27(H27a,H27b)
5.b Me refined with riding coordinates:
 C63(H63a,H63b,H63c)
5.c Aromatic/amide H refined with riding coordinates:
 C14(H14), C15(H15), N2(H2), N6(H6a), N4(H4), C39(H39), C9(H9), C42(H42),
 C24(H24), C29(H29), C41(H41), C30(H30), C20(H20), C19(H19), C18(H18), C17(H17),
  C16(H16), C31(H31), C35(H35), C34(H34), C33(H33), C32(H32), C1(H1), C2(H2a),
 C3(H3), C4(H4a), C5(H5)
5.d Fitted hexagon refined as free rotating group:
 C21(C20,C19,C18,C17,C16), C31(C36,C35,C34,C33,C32), C1(C2,C3,C4,C5,C6)
5.e Idealised Me refined as rotating group:
 C51(H51a,H51b,H51c), C60(H60a,H60b,H60c), C57(H57a,H57b,H57c), C52(H52a,H52b,
 H52c), C49(H49a,H49b,H49c), C64(H64a,H64b,H64c), C47(H47a,H47b,H47c), C59(H59a,
 H59b,H59c), C55(H55a,H55b,H55c), C4BA(H4Bb,H4Bc,H4Bd)
5.f Idealised tetrahedral OH refined as rotating group:
 O6(H6), O2AA(H2AA), O4BA(H4BA)
;
_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
Dy6 Dy 0.88824(3) 0.77003(2) 0.58921(2) 0.03371(12) Uani 1 1 d . . . . .
Dy4 Dy 0.93736(2) 0.64845(2) 0.70334(2) 0.03026(11) Uani 1 1 d . . . . .
Dy2 Dy 0.85167(2) 0.55424(2) 0.78926(2) 0.03549(11) Uani 1 1 d . . . . .
Dy1 Dy 0.67852(2) 0.55255(2) 0.79345(2) 0.03794(12) Uani 1 1 d . . . . .
Dy3 Dy 0.94300(3) 0.47232(2) 0.70037(3) 0.04120(14) Uani 1 1 d . . . . .
Dy5 Dy 0.89149(4) 0.35194(2) 0.58421(4) 0.05250(18) Uani 1 1 d . . . . .
O30 O 0.9931(4) 0.7432(3) 0.6946(3) 0.0340(15) Uani 1 1 d . . . . .
O21 O 1.0531(5) 0.5123(4) 0.7122(6) 0.059(3) Uani 1 1 d . . . . .
O4 O 0.8352(4) 0.6264(3) 0.7132(3) 0.0320(15) Uani 1 1 d . . . . .
O15 O 0.7462(4) 0.4870(3) 0.7632(4) 0.0400(17) Uani 1 1 d . . . . .
O9 O 0.9059(4) 0.5595(4) 0.6430(3) 0.0411(15) Uani 1 1 d . . . . .
O14 O 0.8389(4) 0.4871(3) 0.7127(4) 0.0412(18) Uani 1 1 d . . . . .
O22 O 0.9545(3) 0.5582(4) 0.7668(3) 0.0378(14) Uani 1 1 d . . . . .
O8 O 0.9156(4) 0.6690(3) 0.5985(3) 0.0340(15) Uani 1 1 d . . . . .
O2 O 0.5840(4) 0.5695(3) 0.8228(4) 0.0461(19) Uani 1 1 d . . . . .
O13 O 0.8596(5) 0.3883(4) 0.6561(5) 0.049(2) Uani 1 1 d . . . . .
C43 C 0.7432(6) 0.4386(5) 0.7287(7) 0.045(2) Uani 1 1 d . U . . .
O19 O 0.9709(5) 0.6904(4) 0.8019(4) 0.0442(19) Uani 1 1 d . . . . .
O18 O 0.9189(5) 0.6342(4) 0.8508(4) 0.051(2) Uani 1 1 d . . . . .
C10 C 0.6882(6) 0.7145(5) 0.7232(6) 0.0409(19) Uani 1 1 d . U . . .
O10 O 0.9189(5) 0.4545(3) 0.5903(5) 0.051(2) Uani 1 1 d . . . . .
O5 O 0.8482(4) 0.7307(3) 0.6585(4) 0.0365(16) Uani 1 1 d . . . . .
O7 O 0.8963(5) 0.8515(4) 0.5238(4) 0.0420(18) Uani 1 1 d . . . . .
C14 C 0.7426(6) 0.7744(5) 0.6668(6) 0.0427(19) Uani 1 1 d . U . . .
H14 H 0.743416 0.810323 0.645607 0.051 Uiso 1 1 calc R U . . .
O25 O 0.8122(4) 0.5521(4) 0.8715(4) 0.0458(17) Uani 1 1 d . . . . .
O6 O 0.9264(5) 0.9486(3) 0.4686(4) 0.0439(18) Uani 1 1 d . . . . .
H6 H 0.890765 0.966728 0.466954 0.066 Uiso 1 1 calc R U . . .
C45 C 0.8045(6) 0.3876(5) 0.6717(7) 0.044(2) Uani 1 1 d . U . . .
O29 O 0.7707(5) 0.8217(5) 0.5434(4) 0.061(3) Uani 1 1 d . . . . .
O16 O 0.9784(6) 0.4270(5) 0.7984(6) 0.066(3) Uani 1 1 d . . . . .
C44 C 0.7941(7) 0.4358(5) 0.7035(7) 0.047(2) Uani 1 1 d . U . . .
O3 O 0.7448(4) 0.6152(3) 0.7649(4) 0.0368(16) Uani 1 1 d . . . . .
O23 O 0.6091(6) 0.5581(7) 0.6816(5) 0.078(3) Uani 1 1 d . . . . .
O31 O 1.0190(4) 0.7790(3) 0.6204(3) 0.0396(16) Uani 1 1 d . . . . .
C15 C 0.6917(6) 0.7677(5) 0.6900(6) 0.044(2) Uani 1 1 d . U . . .
H15 H 0.658646 0.799280 0.683482 0.052 Uiso 1 1 calc R U . . .
O35 O 0.7698(8) 0.3884(8) 0.5228(8) 0.097(4) Uani 1 1 d . . . . .
O17 O 0.9248(5) 0.4744(5) 0.8515(5) 0.063(3) Uani 1 1 d . . . . .
C28 C 0.9165(9) 0.5063(6) 0.5597(7) 0.059(2) Uani 1 1 d . U . . .
O26 O 0.7389(5) 0.6117(4) 0.8909(4) 0.0459(18) Uani 1 1 d . . . . .
O34 O 0.9615(5) 0.2820(3) 0.6698(5) 0.053(2) Uani 1 1 d . . . . .
C50 C 1.0809(5) 0.5654(6) 0.7149(5) 0.043(2) Uani 1 1 d . U . . .
O24 O 0.5789(5) 0.4831(5) 0.7293(5) 0.058(2) Uani 1 1 d . . . . .
N5 N 0.9089(5) 0.7340(4) 0.4950(4) 0.040(2) Uani 1 1 d . . . . .
C12 C 0.7891(6) 0.6718(5) 0.7060(5) 0.0349(17) Uani 1 1 d . U . . .
C27 C 0.9104(6) 0.5643(6) 0.5884(5) 0.0455(18) Uani 1 1 d . U . . .
N2 N 0.6364(7) 0.7097(5) 0.7487(6) 0.058(3) Uani 1 1 d . . . . .
H2 H 0.611536 0.742188 0.747024 0.070 Uiso 1 1 calc R U . . .
C13 C 0.7938(6) 0.7271(5) 0.6751(5) 0.0370(18) Uani 1 1 d . U . . .
O1 O 0.5016(6) 0.5819(5) 0.8843(5) 0.065(2) Uani 1 1 d . U . . .
N6 N 0.9146(5) 0.7837(4) 0.4589(4) 0.041(2) Uani 1 1 d . . . . .
H6A H 0.923345 0.777819 0.427057 0.049 Uiso 1 1 calc R U . . .
O20 O 1.0513(4) 0.6148(3) 0.7169(4) 0.0385(16) Uani 1 1 d . . . . .
N4 N 0.8037(6) 0.2174(5) 0.5725(6) 0.054(3) Uani 1 1 d . . . . .
H4 H 0.780039 0.186862 0.577831 0.065 Uiso 1 1 calc R U . . .
C40 C 0.7561(7) 0.3347(5) 0.6585(7) 0.049(2) Uani 1 1 d . U . . .
C56 C 1.0381(6) 0.7583(5) 0.6755(5) 0.037(2) Uani 1 1 d . U . . .
O33 O 0.9999(5) 0.3787(4) 0.6894(6) 0.062(3) Uani 1 1 d . . . . .
N1 N 0.6243(5) 0.6617(4) 0.7736(4) 0.0383(19) Uani 1 1 d . . . . .
C39 C 0.7643(7) 0.2808(5) 0.6263(7) 0.053(2) Uani 1 1 d . U . . .
H39 H 0.737547 0.246144 0.626269 0.063 Uiso 1 1 calc R U . . .
N3 N 0.8038(6) 0.2761(4) 0.5985(6) 0.051(2) Uani 1 1 d . . . . .
C9 C 0.5727(6) 0.6697(5) 0.7968(5) 0.0410(19) Uani 1 1 d . U . . .
H9 H 0.551297 0.707940 0.795260 0.049 Uiso 1 1 calc R U . . .
C11 C 0.7394(6) 0.6650(5) 0.7304(5) 0.0361(18) Uani 1 1 d . U . . .
O12 O 0.8802(7) 0.2550(4) 0.5352(7) 0.076(4) Uani 1 1 d . . . . .
O11 O 0.8953(7) 0.1459(7) 0.4922(6) 0.084(3) Uani 1 1 d . U . . .
O28 O 0.7774(5) 0.7249(5) 0.5102(6) 0.070(3) Uani 1 1 d . . . . .
C42 C 0.6998(7) 0.3865(5) 0.7180(7) 0.051(2) Uani 1 1 d . U . . .
H42 H 0.667126 0.384693 0.735501 0.061 Uiso 1 1 calc R U . . .
C24 C 0.9138(8) 0.6808(6) 0.4746(6) 0.053(2) Uani 1 1 d . U . . .
H24 H 0.916076 0.679185 0.436472 0.064 Uiso 1 1 calc R U . . .
C29 C 0.9176(9) 0.5111(7) 0.5009(7) 0.064(3) Uani 1 1 d . U . . .
H29 H 0.919555 0.475195 0.480085 0.076 Uiso 1 1 calc R U . . .
C23 C 0.9057(6) 0.8408(5) 0.4771(5) 0.0380(19) Uani 1 1 d . U . . .
C48 C 0.9572(7) 0.6789(6) 0.8491(5) 0.048(3) Uani 1 1 d . U . . .
C41 C 0.7038(7) 0.3369(5) 0.6818(7) 0.051(2) Uani 1 1 d . U . . .
H41 H 0.671210 0.304569 0.673034 0.062 Uiso 1 1 calc R U . . .
C26 C 0.9126(8) 0.6198(5) 0.5640(6) 0.046(2) Uani 1 1 d . U . . .
C25 C 0.9162(9) 0.6224(6) 0.5049(6) 0.055(2) Uani 1 1 d . U . . .
C46 C 0.9651(10) 0.4340(9) 0.8432(9) 0.072(4) Uani 1 1 d . U . . .
O2AA O 0.6998(7) 0.9236(7) 0.5422(6) 0.084(3) Uani 1 1 d . U . . .
H2AA H 0.700993 0.893729 0.521455 0.126 Uiso 1 1 calc R U . . .
C30 C 0.9160(8) 0.5663(7) 0.4746(6) 0.063(2) Uani 1 1 d . U . . .
H30 H 0.914616 0.567561 0.435116 0.075 Uiso 1 1 calc R U . . .
O37 O 0.9951(6) 0.3377(5) 0.5667(5) 0.062(2) Uani 1 1 d . U . . .
H37A H 1.043548 0.353915 0.591372 0.093 Uiso 1 1 d R U . . .
H37B H 0.965347 0.355079 0.531363 0.093 Uiso 1 1 d R U . . .
O36 O 0.8399(8) 0.3723(7) 0.4741(6) 0.089(4) Uani 1 1 d . U . . .
C61 C 1.0034(7) 0.3228(6) 0.7069(6) 0.049(3) Uani 1 1 d . U . . .
C51 C 1.1549(6) 0.5686(6) 0.7166(6) 0.049(3) Uani 1 1 d . U . . .
H51A H 1.154738 0.596658 0.685334 0.074 Uiso 1 1 calc R U . . .
H51B H 1.168912 0.528141 0.709138 0.074 Uiso 1 1 calc R U . . .
H51C H 1.187970 0.582943 0.756560 0.074 Uiso 1 1 calc R U . . .
C22 C 0.9061(7) 0.8934(6) 0.4348(6) 0.045(2) Uani 1 1 d . U . . .
C60 C 1.0542(7) 0.3043(7) 0.7723(8) 0.064(4) Uani 1 1 d . U . . .
H60A H 1.037410 0.266822 0.783549 0.096 Uiso 1 1 calc R U . . .
H60B H 1.056029 0.336680 0.800565 0.096 Uiso 1 1 calc R U . . .
H60C H 1.101042 0.297571 0.774198 0.096 Uiso 1 1 calc R U . . .
C53 C 0.8001(7) 0.5913(6) 0.9046(5) 0.046(3) Uani 1 1 d . U . . .
C8 C 0.5553(7) 0.6197(5) 0.8213(6) 0.046(2) Uani 1 1 d . U . . .
C37 C 0.8420(7) 0.1481(6) 0.5139(7) 0.054(2) Uani 1 1 d . U . . .
C57 C 1.1157(7) 0.7544(6) 0.7184(7) 0.060(3) Uani 1 1 d . U . . .
H57A H 1.130742 0.711919 0.722771 0.090 Uiso 1 1 calc R U . . .
H57B H 1.122962 0.770616 0.758202 0.090 Uiso 1 1 calc R U . . .
H57C H 1.143009 0.778071 0.701897 0.090 Uiso 1 1 calc R U . . .
C38 C 0.8419(8) 0.2110(7) 0.5390(7) 0.057(2) Uani 1 1 d . U . . .
C58 C 0.7416(8) 0.7744(8) 0.5084(8) 0.066(3) Uani 1 1 d . U . . .
C7 C 0.4927(7) 0.6278(7) 0.8393(7) 0.062(3) Uani 1 1 d D U . . .
C21 C 0.8333(4) 0.8981(5) 0.3837(4) 0.065(3) Uani 1 1 d G U . . .
C20 C 0.8228(5) 0.8955(5) 0.3221(5) 0.071(3) Uani 1 1 d G U . . .
H20 H 0.861432 0.889583 0.312276 0.085 Uiso 1 1 calc R U . . .
C19 C 0.7544(6) 0.9019(6) 0.2753(4) 0.080(3) Uani 1 1 d G U . . .
H19 H 0.747324 0.900230 0.234090 0.095 Uiso 1 1 calc R U . . .
C18 C 0.6966(4) 0.9108(6) 0.2900(5) 0.082(3) Uani 1 1 d G U . . .
H18 H 0.650849 0.915091 0.258707 0.099 Uiso 1 1 calc R U . . .
C17 C 0.7072(4) 0.9133(5) 0.3516(5) 0.077(3) Uani 1 1 d G U . . .
H17 H 0.668482 0.919304 0.361510 0.092 Uiso 1 1 calc R U . . .
C16 C 0.7755(5) 0.9070(5) 0.3985(4) 0.068(3) Uani 1 1 d G U . . .
H16 H 0.782589 0.908656 0.439697 0.082 Uiso 1 1 calc R U . . .
C54 C 0.5750(10) 0.5093(8) 0.6818(9) 0.071(3) Uani 1 1 d . U . . .
C52 C 0.8622(8) 0.6156(8) 0.9610(6) 0.062(3) Uani 1 1 d . U . . .
H52A H 0.898667 0.630347 0.949213 0.092 Uiso 1 1 calc R U . . .
H52B H 0.881163 0.582991 0.990830 0.092 Uiso 1 1 calc R U . . .
H52C H 0.846273 0.648969 0.978696 0.092 Uiso 1 1 calc R U . . .
C49 C 0.9865(10) 0.7260(9) 0.9022(8) 0.076(4) Uani 1 1 d . U . . .
H49A H 1.032176 0.712275 0.932254 0.113 Uiso 1 1 calc R U . . .
H49B H 0.953987 0.729529 0.921454 0.113 Uiso 1 1 calc R U . . .
H49C H 0.991609 0.765577 0.886212 0.113 Uiso 1 1 calc R U . . .
C64 C 0.6528(9) 0.9096(8) 0.5735(10) 0.078(4) Uani 1 1 d . U . . .
H64A H 0.632119 0.869253 0.561104 0.118 Uiso 1 1 calc R U . . .
H64B H 0.615537 0.939980 0.562075 0.118 Uiso 1 1 calc R U . . .
H64C H 0.680344 0.910328 0.617472 0.118 Uiso 1 1 calc R U . . .
C31 C 0.7205(6) 0.1550(4) 0.4174(5) 0.073(3) Uani 1 1 d G U . . .
H31 H 0.730078 0.195816 0.411140 0.087 Uiso 1 1 calc R U . . .
C36 C 0.7690(4) 0.1219(5) 0.4674(4) 0.065(2) Uani 1 1 d G U . . .
C35 C 0.7546(5) 0.0608(5) 0.4768(4) 0.066(2) Uani 1 1 d G U . . .
H35 H 0.787128 0.038652 0.510275 0.080 Uiso 1 1 calc R U . . .
C34 C 0.6917(5) 0.0329(4) 0.4362(5) 0.076(3) Uani 1 1 d G U . . .
H34 H 0.682072 -0.007985 0.442453 0.091 Uiso 1 1 calc R U . . .
C33 C 0.6431(5) 0.0660(5) 0.3862(5) 0.080(3) Uani 1 1 d G U . . .
H33 H 0.601018 0.047278 0.358974 0.096 Uiso 1 1 calc R U . . .
C32 C 0.6575(5) 0.1270(5) 0.3768(4) 0.071(3) Uani 1 1 d G U . . .
H32 H 0.625020 0.149178 0.343316 0.085 Uiso 1 1 calc R U . . .
C47 C 1.0117(13) 0.4051(12) 0.9092(11) 0.106(6) Uani 1 1 d . U . . .
H47A H 1.005428 0.429141 0.940516 0.159 Uiso 1 1 calc R U . . .
H47B H 1.061116 0.405315 0.916568 0.159 Uiso 1 1 calc R U . . .
H47C H 0.996596 0.363245 0.910586 0.159 Uiso 1 1 calc R U . . .
C1 C 0.3875(7) 0.6224(6) 0.7394(7) 0.096(3) Uani 1 1 d G U . . .
H1 H 0.410672 0.589936 0.729761 0.115 Uiso 1 1 calc R U . . .
C2 C 0.3183(7) 0.6383(7) 0.6990(6) 0.105(4) Uani 1 1 d G U . . .
H2A H 0.295077 0.616486 0.662249 0.126 Uiso 1 1 calc R U . . .
C3 C 0.2837(6) 0.6869(8) 0.7134(7) 0.112(4) Uani 1 1 d G U . . .
H3 H 0.237383 0.697574 0.686312 0.134 Uiso 1 1 calc R U . . .
C4 C 0.3184(8) 0.7196(7) 0.7682(7) 0.110(4) Uani 1 1 d G U . . .
H4A H 0.295284 0.752112 0.777886 0.132 Uiso 1 1 calc R U . . .
C5 C 0.3877(8) 0.7037(7) 0.8087(6) 0.103(4) Uani 1 1 d G U . . .
H5 H 0.410878 0.725562 0.845398 0.123 Uiso 1 1 calc R U . . .
C6 C 0.4222(6) 0.6551(7) 0.7943(6) 0.091(3) Uani 1 1 d DG U . . .
C59 C 0.6633(12) 0.7803(12) 0.4692(11) 0.111(7) Uani 1 1 d . U . . .
H59A H 0.637521 0.772061 0.493940 0.167 Uiso 1 1 calc R U . . .
H59B H 0.649185 0.751052 0.435807 0.167 Uiso 1 1 calc R U . . .
H59C H 0.652803 0.821484 0.452779 0.167 Uiso 1 1 calc R U . . .
C55 C 0.5159(15) 0.4808(13) 0.6219(11) 0.122(8) Uani 1 1 d . U . . .
H55A H 0.530822 0.440513 0.614824 0.183 Uiso 1 1 calc R U . . .
H55B H 0.508410 0.507085 0.587245 0.183 Uiso 1 1 calc R U . . .
H55C H 0.472253 0.477097 0.626916 0.183 Uiso 1 1 calc R U . . .
O4BA O 0.8857(3) 0.0566(4) 0.4075(3) 0.0392(14) Uani 1 1 d . . . . .
H4BA H 0.885248 0.079584 0.434777 0.059 Uiso 1 1 calc R U . . .
C4BA C 0.8171(5) 0.0604(7) 0.3536(5) 0.044(2) Uani 1 1 d . U . . .
H4BB H 0.819545 0.037586 0.319987 0.066 Uiso 1 1 calc R U . . .
H4BC H 0.806242 0.102987 0.341735 0.066 Uiso 1 1 calc R U . . .
H4BD H 0.780403 0.043253 0.363763 0.066 Uiso 1 1 calc R U . . .
C62 C 0.7855(12) 0.3917(11) 0.4749(11) 0.093(4) Uani 1 1 d . U . . .
C63 C 0.7266(18) 0.4164(16) 0.4126(15) 0.148(8) Uani 1 1 d . U . . .
H63A H 0.686202 0.430401 0.419232 0.222 Uiso 1 1 calc R U . . .
H63B H 0.745471 0.450202 0.397850 0.222 Uiso 1 1 calc R U . . .
H63C H 0.712045 0.383751 0.382438 0.222 Uiso 1 1 calc R U . . .
O32 O 0.9145(5) 0.8616(4) 0.6486(4) 0.052(2) Uani 1 1 d . U . . .
H32A H 0.939934 0.856485 0.695308 0.078 Uiso 1 1 d R U . . .
O27 O 0.6874(5) 0.4772(5) 0.8683(4) 0.054(2) Uani 1 1 d . U . . .
H27A H 0.731239 0.464993 0.888400 0.081 Uiso 1 1 d R U . . .
H27B H 0.672623 0.447719 0.841608 0.081 Uiso 1 1 d 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
Dy6 Dy4 3.6047(6) . ?
Dy6 O30 2.599(7) . ?
Dy6 O8 2.241(7) . ?
Dy6 O5 2.294(7) . ?
Dy6 O7 2.400(7) . ?
Dy6 O29 2.469(9) . ?
Dy6 O31 2.487(8) . ?
Dy6 N5 2.573(9) . ?
Dy6 C56 2.918(11) . ?
Dy6 O28 2.471(11) . ?
Dy6 C58 2.824(15) . ?
Dy6 O32 2.359(9) . ?
Dy4 Dy2 3.8048(6) . ?
Dy4 Dy3 3.8074(6) . ?
Dy4 O30 2.398(7) . ?
Dy4 O4 2.266(7) . ?
Dy4 O9 2.322(9) . ?
Dy4 O22 2.400(8) . ?
Dy4 O8 2.384(7) . ?
Dy4 O19 2.333(8) . ?
Dy4 O5 2.456(7) . ?
Dy4 O20 2.350(8) . ?
Dy2 Dy1 3.6140(6) . ?
Dy2 Dy3 3.8075(7) . ?
Dy2 O4 2.303(7) . ?
Dy2 O15 2.467(8) . ?
Dy2 O14 2.255(9) . ?
Dy2 O22 2.396(6) . ?
Dy2 O18 2.313(10) . ?
Dy2 O25 2.416(7) . ?
Dy2 O3 2.420(7) . ?
Dy2 O17 2.360(8) . ?
Dy1 O15 2.306(7) . ?
Dy1 O2 2.359(7) . ?
Dy1 O25 2.599(8) . ?
Dy1 O3 2.223(7) . ?
Dy1 O23 2.441(10) . ?
Dy1 O26 2.478(9) . ?
Dy1 O24 2.485(9) . ?
Dy1 N1 2.568(8) . ?
Dy1 C53 2.903(13) . ?
Dy1 C54 2.782(18) . ?
Dy1 O27 2.362(9) . ?
Dy1 H27B 2.5636 . ?
Dy3 Dy5 3.6154(9) . ?
Dy3 O21 2.332(8) . ?
Dy3 O9 2.263(8) . ?
Dy3 O14 2.309(7) . ?
Dy3 O22 2.385(9) . ?
Dy3 O13 2.417(9) . ?
Dy3 O10 2.483(10) . ?
Dy3 O16 2.347(10) . ?
Dy3 O33 2.407(8) . ?
Dy5 O13 2.218(9) . ?
Dy5 O10 2.275(8) . ?
Dy5 O35 2.445(14) . ?
Dy5 O34 2.460(9) . ?
Dy5 O33 2.628(13) . ?
Dy5 N3 2.566(10) . ?
Dy5 O12 2.362(9) . ?
Dy5 O37 2.362(10) . ?
Dy5 H37B 2.3479 . ?
Dy5 O36 2.420(14) . ?
Dy5 C61 2.932(13) . ?
Dy5 C62 2.74(2) . ?
O30 C56 1.236(12) . ?
O21 C50 1.272(15) . ?
O4 C12 1.325(12) . ?
O15 C43 1.316(14) . ?
O9 C27 1.346(12) . ?
O14 C44 1.399(14) . ?
O8 C26 1.330(14) . ?
O2 C8 1.229(14) . ?
O13 C45 1.336(13) . ?
C43 C44 1.411(16) . ?
C43 C42 1.393(17) . ?
O19 C48 1.292(13) . ?
O18 C48 1.259(15) . ?
C10 C15 1.414(15) . ?
C10 N2 1.437(14) . ?
C10 C11 1.461(14) . ?
O10 C28 1.325(15) . ?
O5 C13 1.340(11) . ?
O7 C23 1.229(13) . ?
C14 H14 0.9300 . ?
C14 C15 1.382(15) . ?
C14 C13 1.422(15) . ?
O25 C53 1.250(15) . ?
O6 H6 0.8200 . ?
O6 C22 1.399(15) . ?
C45 C44 1.356(16) . ?
C45 C40 1.462(16) . ?
O29 C58 1.30(2) . ?
O16 C46 1.22(2) . ?
O3 C11 1.328(12) . ?
O23 C54 1.27(2) . ?
O31 C56 1.282(13) . ?
C15 H15 0.9300 . ?
O35 C62 1.31(3) . ?
O17 C46 1.28(2) . ?
C28 C27 1.457(19) . ?
C28 C29 1.41(2) . ?
O26 C53 1.245(15) . ?
O34 C61 1.289(16) . ?
C50 O20 1.240(14) . ?
C50 C51 1.511(14) . ?
O24 C54 1.24(2) . ?
N5 N6 1.410(12) . ?
N5 C24 1.267(16) . ?
C12 C13 1.426(14) . ?
C12 C11 1.383(13) . ?
C27 C26 1.340(16) . ?
N2 H2 0.8600 . ?
N2 N1 1.270(14) . ?
O1 C7 1.414(18) . ?
N6 H6A 0.8600 . ?
N6 C23 1.344(14) . ?
N4 H4 0.8600 . ?
N4 N3 1.411(14) . ?
N4 C38 1.343(17) . ?
C40 C39 1.443(17) . ?
C40 C41 1.403(16) . ?
C56 C57 1.496(17) . ?
O33 C61 1.268(15) . ?
N1 C9 1.399(12) . ?
C39 H39 0.9300 . ?
C39 N3 1.252(17) . ?
C9 H9 0.9300 . ?
C9 C8 1.346(15) . ?
O12 C38 1.261(17) . ?
O11 C37 1.398(18) . ?
O28 C58 1.29(2) . ?
C42 H42 0.9300 . ?
C42 C41 1.399(18) . ?
C24 H24 0.9300 . ?
C24 C25 1.442(17) . ?
C29 H29 0.9300 . ?
C29 C30 1.34(2) . ?
C23 C22 1.520(15) . ?
C48 C49 1.54(2) . ?
C41 H41 0.9300 . ?
C26 C25 1.440(17) . ?
C25 C30 1.410(19) . ?
C46 C47 1.59(3) . ?
O2AA H2AA 0.8200 . ?
O2AA C64 1.479(19) . ?
C30 H30 0.9300 . ?
O37 H37A 0.9868 . ?
O37 H37B 0.8905 . ?
O36 C62 1.21(3) . ?
C61 C60 1.522(19) . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C22 C21 1.487(15) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C53 C52 1.508(19) . ?
C8 C7 1.531(19) . ?
C37 C38 1.486(19) . ?
C37 C36 1.553(15) . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 C59 1.49(3) . ?
C7 C6 1.518(14) . ?
C21 C20 1.3900 . ?
C21 C16 1.3900 . ?
C20 H20 0.9300 . ?
C20 C19 1.3900 . ?
C19 H19 0.9300 . ?
C19 C18 1.3900 . ?
C18 H18 0.9300 . ?
C18 C17 1.3900 . ?
C17 H17 0.9300 . ?
C17 C16 1.3900 . ?
C16 H16 0.9300 . ?
C54 C55 1.56(3) . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C31 H31 0.9300 . ?
C31 C36 1.3900 . ?
C31 C32 1.3900 . ?
C36 C35 1.3900 . ?
C35 H35 0.9300 . ?
C35 C34 1.3900 . ?
C34 H34 0.9300 . ?
C34 C33 1.3900 . ?
C33 H33 0.9300 . ?
C33 C32 1.3900 . ?
C32 H32 0.9300 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C1 H1 0.9300 . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 H2A 0.9300 . ?
C2 C3 1.3900 . ?
C3 H3 0.9300 . ?
C3 C4 1.3900 . ?
C4 H4A 0.9300 . ?
C4 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C6 1.3900 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
O4BA H4BA 0.8200 . ?
O4BA C4BA 1.460(12) . ?
C4BA H4BB 0.9600 . ?
C4BA H4BC 0.9600 . ?
C4BA H4BD 0.9600 . ?
C62 C63 1.56(4) . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
O32 H32A 1.0168 . ?
O27 H27A 0.8678 . ?
O27 H27B 0.8602 . ?

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
O30 Dy6 Dy4 41.66(15) . . ?
O30 Dy6 C56 25.0(3) . . ?
O30 Dy6 C58 152.2(4) . . ?
O8 Dy6 Dy4 40.24(19) . . ?
O8 Dy6 O30 67.3(2) . . ?
O8 Dy6 O5 73.7(3) . . ?
O8 Dy6 O7 134.0(3) . . ?
O8 Dy6 O29 130.1(3) . . ?
O8 Dy6 O31 81.4(3) . . ?
O8 Dy6 N5 70.4(3) . . ?
O8 Dy6 C56 72.4(3) . . ?
O8 Dy6 O28 78.8(3) . . ?
O8 Dy6 C58 104.7(4) . . ?
O8 Dy6 O32 140.5(3) . . ?
O5 Dy6 Dy4 42.34(17) . . ?
O5 Dy6 O30 68.2(2) . . ?
O5 Dy6 O7 151.8(3) . . ?
O5 Dy6 O29 84.4(3) . . ?
O5 Dy6 O31 119.1(3) . . ?
O5 Dy6 N5 139.1(3) . . ?
O5 Dy6 C56 93.2(3) . . ?
O5 Dy6 O28 84.5(4) . . ?
O5 Dy6 C58 84.1(4) . . ?
O5 Dy6 O32 86.6(3) . . ?
O7 Dy6 Dy4 161.6(2) . . ?
O7 Dy6 O30 122.3(3) . . ?
O7 Dy6 O29 72.8(3) . . ?
O7 Dy6 O31 77.0(3) . . ?
O7 Dy6 N5 64.8(3) . . ?
O7 Dy6 C56 100.3(3) . . ?
O7 Dy6 O28 95.1(4) . . ?
O7 Dy6 C58 83.1(4) . . ?
O29 Dy6 Dy4 125.1(2) . . ?
O29 Dy6 O30 142.4(3) . . ?
O29 Dy6 O31 146.9(3) . . ?
O29 Dy6 N5 104.1(3) . . ?
O29 Dy6 C56 154.7(4) . . ?
O29 Dy6 O28 54.4(4) . . ?
O29 Dy6 C58 27.3(4) . . ?
O31 Dy6 Dy4 84.55(17) . . ?
O31 Dy6 O30 51.0(2) . . ?
O31 Dy6 N5 74.3(3) . . ?
O31 Dy6 C56 25.9(3) . . ?
O31 Dy6 C58 156.7(4) . . ?
N5 Dy6 Dy4 109.9(2) . . ?
N5 Dy6 O30 113.5(3) . . ?
N5 Dy6 C56 94.3(3) . . ?
N5 Dy6 C58 86.4(4) . . ?
C56 Dy6 Dy4 61.72(19) . . ?
O28 Dy6 Dy4 99.4(3) . . ?
O28 Dy6 O30 140.9(3) . . ?
O28 Dy6 O31 143.1(3) . . ?
O28 Dy6 N5 69.9(4) . . ?
O28 Dy6 C56 150.5(3) . . ?
O28 Dy6 C58 27.1(4) . . ?
C58 Dy6 Dy4 114.8(3) . . ?
C58 Dy6 C56 176.5(4) . . ?
O32 Dy6 Dy4 103.8(2) . . ?
O32 Dy6 O30 73.7(3) . . ?
O32 Dy6 O7 73.3(3) . . ?
O32 Dy6 O29 79.7(4) . . ?
O32 Dy6 O31 78.9(3) . . ?
O32 Dy6 N5 134.1(3) . . ?
O32 Dy6 C56 75.0(3) . . ?
O32 Dy6 O28 133.9(3) . . ?
O32 Dy6 C58 107.0(4) . . ?
Dy6 Dy4 Dy2 138.383(16) . . ?
Dy6 Dy4 Dy3 135.64(2) . . ?
Dy2 Dy4 Dy3 60.025(12) . . ?
O30 Dy4 Dy6 46.09(18) . . ?
O30 Dy4 Dy2 148.27(18) . . ?
O30 Dy4 Dy3 146.23(18) . . ?
O30 Dy4 O22 143.0(2) . . ?
O30 Dy4 O5 69.1(2) . . ?
O4 Dy4 Dy6 104.58(17) . . ?
O4 Dy4 Dy2 33.93(17) . . ?
O4 Dy4 Dy3 80.16(18) . . ?
O4 Dy4 O30 133.5(3) . . ?
O4 Dy4 O9 81.9(3) . . ?
O4 Dy4 O22 70.2(2) . . ?
O4 Dy4 O8 111.9(2) . . ?
O4 Dy4 O19 82.7(3) . . ?
O4 Dy4 O5 68.8(2) . . ?
O4 Dy4 O20 147.2(2) . . ?
O9 Dy4 Dy6 102.66(18) . . ?
O9 Dy4 Dy2 79.50(17) . . ?
O9 Dy4 Dy3 33.37(18) . . ?
O9 Dy4 O30 132.2(2) . . ?
O9 Dy4 O22 69.3(3) . . ?
O9 Dy4 O8 68.0(2) . . ?
O9 Dy4 O19 146.2(3) . . ?
O9 Dy4 O5 111.4(3) . . ?
O9 Dy4 O20 80.4(3) . . ?
O22 Dy4 Dy6 170.69(18) . . ?
O22 Dy4 Dy2 37.46(15) . . ?
O22 Dy4 Dy3 37.13(19) . . ?
O22 Dy4 O5 138.3(2) . . ?
O8 Dy4 Dy6 37.40(17) . . ?
O8 Dy4 Dy2 137.41(17) . . ?
O8 Dy4 Dy3 99.23(17) . . ?
O8 Dy4 O30 68.7(2) . . ?
O8 Dy4 O22 136.4(3) . . ?
O8 Dy4 O5 68.4(3) . . ?
O19 Dy4 Dy6 110.3(2) . . ?
O19 Dy4 Dy2 71.07(19) . . ?
O19 Dy4 Dy3 114.1(2) . . ?
O19 Dy4 O30 78.8(3) . . ?
O19 Dy4 O22 77.2(3) . . ?
O19 Dy4 O8 145.7(3) . . ?
O19 Dy4 O5 90.5(3) . . ?
O19 Dy4 O20 97.1(3) . . ?
O5 Dy4 Dy6 38.99(16) . . ?
O5 Dy4 Dy2 100.88(16) . . ?
O5 Dy4 Dy3 137.54(19) . . ?
O20 Dy4 Dy6 106.11(18) . . ?
O20 Dy4 Dy2 115.10(18) . . ?
O20 Dy4 Dy3 69.95(18) . . ?
O20 Dy4 O30 77.7(2) . . ?
O20 Dy4 O22 77.7(2) . . ?
O20 Dy4 O8 86.5(3) . . ?
O20 Dy4 O5 143.8(2) . . ?
Dy4 Dy2 Dy3 60.022(11) . . ?
Dy1 Dy2 Dy4 135.005(15) . . ?
Dy1 Dy2 Dy3 137.335(19) . . ?
O4 Dy2 Dy4 33.32(18) . . ?
O4 Dy2 Dy1 101.93(18) . . ?
O4 Dy2 Dy3 79.76(18) . . ?
O4 Dy2 O15 112.1(3) . . ?
O4 Dy2 O22 69.7(3) . . ?
O4 Dy2 O18 81.0(3) . . ?
O4 Dy2 O25 131.4(3) . . ?
O4 Dy2 O3 67.9(2) . . ?
O4 Dy2 O17 146.3(3) . . ?
O15 Dy2 Dy4 137.6(2) . . ?
O15 Dy2 Dy1 39.13(17) . . ?
O15 Dy2 Dy3 100.13(18) . . ?
O14 Dy2 Dy4 80.38(17) . . ?
O14 Dy2 Dy1 103.49(19) . . ?
O14 Dy2 Dy3 33.92(19) . . ?
O14 Dy2 O4 82.6(2) . . ?
O14 Dy2 O15 68.0(3) . . ?
O14 Dy2 O22 70.0(3) . . ?
O14 Dy2 O18 145.9(3) . . ?
O14 Dy2 O25 132.6(3) . . ?
O14 Dy2 O3 111.7(3) . . ?
O14 Dy2 O17 82.2(3) . . ?
O22 Dy2 Dy4 37.53(18) . . ?
O22 Dy2 Dy1 169.64(17) . . ?
O22 Dy2 Dy3 37.1(2) . . ?
O22 Dy2 O15 137.2(3) . . ?
O22 Dy2 O25 144.3(3) . . ?
O22 Dy2 O3 136.8(3) . . ?
O18 Dy2 Dy4 69.6(2) . . ?
O18 Dy2 Dy1 109.1(2) . . ?
O18 Dy2 Dy3 113.2(2) . . ?
O18 Dy2 O15 146.1(3) . . ?
O18 Dy2 O22 76.3(3) . . ?
O18 Dy2 O25 79.5(3) . . ?
O18 Dy2 O3 89.4(3) . . ?
O18 Dy2 O17 95.3(3) . . ?
O25 Dy2 Dy4 146.8(2) . . ?
O25 Dy2 Dy1 45.94(19) . . ?
O25 Dy2 Dy3 148.75(19) . . ?
O25 Dy2 O15 68.4(3) . . ?
O25 Dy2 O3 67.8(3) . . ?
O3 Dy2 Dy4 99.30(17) . . ?
O3 Dy2 Dy1 36.97(17) . . ?
O3 Dy2 Dy3 137.1(2) . . ?
O3 Dy2 O15 69.0(2) . . ?
O17 Dy2 Dy4 114.2(2) . . ?
O17 Dy2 Dy1 110.8(2) . . ?
O17 Dy2 Dy3 71.0(2) . . ?
O17 Dy2 O15 89.6(3) . . ?
O17 Dy2 O22 76.9(3) . . ?
O17 Dy2 O25 79.7(3) . . ?
O17 Dy2 O3 145.7(3) . . ?
Dy2 Dy1 H27B 104.7 . . ?
O15 Dy1 Dy2 42.49(19) . . ?
O15 Dy1 O2 150.7(3) . . ?
O15 Dy1 O25 67.8(3) . . ?
O15 Dy1 O23 81.0(4) . . ?
O15 Dy1 O26 118.4(3) . . ?
O15 Dy1 O24 83.7(3) . . ?
O15 Dy1 N1 141.3(3) . . ?
O15 Dy1 C53 93.3(3) . . ?
O15 Dy1 C54 79.5(4) . . ?
O15 Dy1 O27 87.0(3) . . ?
O15 Dy1 H27B 75.3 . . ?
O2 Dy1 Dy2 162.8(2) . . ?
O2 Dy1 O25 123.3(3) . . ?
O2 Dy1 O23 97.8(4) . . ?
O2 Dy1 O26 78.3(3) . . ?
O2 Dy1 O24 72.7(3) . . ?
O2 Dy1 N1 64.0(3) . . ?
O2 Dy1 C53 101.0(3) . . ?
O2 Dy1 C54 86.4(5) . . ?
O2 Dy1 O27 72.3(3) . . ?
O2 Dy1 H27B 78.7 . . ?
O25 Dy1 Dy2 41.91(16) . . ?
O25 Dy1 C53 25.5(3) . . ?
O25 Dy1 C54 147.2(4) . . ?
O25 Dy1 H27B 84.9 . . ?
O3 Dy1 Dy2 40.90(18) . . ?
O3 Dy1 O15 75.4(2) . . ?
O3 Dy1 O2 133.4(3) . . ?
O3 Dy1 O25 67.5(3) . . ?
O3 Dy1 O23 78.0(4) . . ?
O3 Dy1 O26 80.8(3) . . ?
O3 Dy1 O24 129.5(3) . . ?
O3 Dy1 N1 70.2(3) . . ?
O3 Dy1 C53 72.3(3) . . ?
O3 Dy1 C54 103.7(4) . . ?
O3 Dy1 O27 141.9(3) . . ?
O3 Dy1 H27B 145.6 . . ?
O23 Dy1 Dy2 96.0(3) . . ?
O23 Dy1 O25 137.9(3) . . ?
O23 Dy1 O26 146.1(4) . . ?
O23 Dy1 O24 53.3(4) . . ?
O23 Dy1 N1 75.1(4) . . ?
O23 Dy1 C53 150.2(4) . . ?
O23 Dy1 C54 27.1(5) . . ?
O23 Dy1 H27B 114.5 . . ?
O26 Dy1 Dy2 84.58(19) . . ?
O26 Dy1 O25 50.7(3) . . ?
O26 Dy1 O24 148.1(3) . . ?
O26 Dy1 N1 73.0(3) . . ?
O26 Dy1 C53 25.2(3) . . ?
O26 Dy1 C54 161.9(4) . . ?
O26 Dy1 H27B 97.9 . . ?
O24 Dy1 Dy2 124.1(2) . . ?
O24 Dy1 O25 142.5(3) . . ?
O24 Dy1 N1 104.9(3) . . ?
O24 Dy1 C53 155.5(3) . . ?
O24 Dy1 C54 26.4(4) . . ?
O24 Dy1 H27B 63.9 . . ?
N1 Dy1 Dy2 110.19(19) . . ?
N1 Dy1 O25 112.6(3) . . ?
N1 Dy1 C53 92.7(3) . . ?
N1 Dy1 C54 91.8(4) . . ?
N1 Dy1 H27B 142.6 . . ?
C53 Dy1 Dy2 62.4(2) . . ?
C53 Dy1 H27B 91.8 . . ?
C54 Dy1 Dy2 110.4(4) . . ?
C54 Dy1 C53 172.5(5) . . ?
C54 Dy1 H27B 88.3 . . ?
O27 Dy1 Dy2 105.2(2) . . ?
O27 Dy1 O25 74.6(3) . . ?
O27 Dy1 O23 132.9(4) . . ?
O27 Dy1 O26 78.5(3) . . ?
O27 Dy1 O24 80.3(3) . . ?
O27 Dy1 N1 131.4(3) . . ?
O27 Dy1 C53 75.3(3) . . ?
O27 Dy1 C54 106.0(5) . . ?
O27 Dy1 H27B 19.6 . . ?
Dy2 Dy3 Dy4 59.953(13) . . ?
Dy5 Dy3 Dy4 136.99(2) . . ?
Dy5 Dy3 Dy2 134.749(19) . . ?
O21 Dy3 Dy4 70.4(2) . . ?
O21 Dy3 Dy2 116.4(3) . . ?
O21 Dy3 Dy5 108.5(3) . . ?
O21 Dy3 O22 79.1(3) . . ?
O21 Dy3 O13 144.0(3) . . ?
O21 Dy3 O10 86.5(4) . . ?
O21 Dy3 O16 98.8(4) . . ?
O21 Dy3 O33 80.2(3) . . ?
O9 Dy3 Dy4 34.3(2) . . ?
O9 Dy3 Dy2 80.07(18) . . ?
O9 Dy3 Dy5 102.7(2) . . ?
O9 Dy3 O21 80.3(3) . . ?
O9 Dy3 O14 82.2(2) . . ?
O9 Dy3 O22 70.6(3) . . ?
O9 Dy3 O13 111.3(3) . . ?
O9 Dy3 O10 68.0(3) . . ?
O9 Dy3 O16 146.3(3) . . ?
O9 Dy3 O33 133.7(3) . . ?
O14 Dy3 Dy4 79.74(17) . . ?
O14 Dy3 Dy2 33.0(2) . . ?
O14 Dy3 Dy5 101.9(2) . . ?
O14 Dy3 O21 147.5(3) . . ?
O14 Dy3 O22 69.3(3) . . ?
O14 Dy3 O13 68.3(3) . . ?
O14 Dy3 O10 111.7(3) . . ?
O14 Dy3 O16 81.4(3) . . ?
O14 Dy3 O33 130.7(3) . . ?
O22 Dy3 Dy4 37.40(17) . . ?
O22 Dy3 Dy2 37.30(15) . . ?
O22 Dy3 Dy5 169.26(15) . . ?
O22 Dy3 O13 136.7(3) . . ?
O22 Dy3 O10 137.8(2) . . ?
O22 Dy3 O33 143.9(4) . . ?
O13 Dy3 Dy4 137.4(2) . . ?
O13 Dy3 Dy2 99.4(2) . . ?
O13 Dy3 Dy5 36.8(2) . . ?
O13 Dy3 O10 68.4(3) . . ?
O10 Dy3 Dy4 100.41(17) . . ?
O10 Dy3 Dy2 137.0(2) . . ?
O10 Dy3 Dy5 38.44(17) . . ?
O16 Dy3 Dy4 113.4(3) . . ?
O16 Dy3 Dy2 70.2(2) . . ?
O16 Dy3 Dy5 109.3(3) . . ?
O16 Dy3 O22 76.2(3) . . ?
O16 Dy3 O13 89.3(4) . . ?
O16 Dy3 O10 145.6(3) . . ?
O16 Dy3 O33 78.2(4) . . ?
O33 Dy3 Dy4 149.5(2) . . ?
O33 Dy3 Dy2 145.9(3) . . ?
O33 Dy3 Dy5 46.6(3) . . ?
O33 Dy3 O13 67.2(3) . . ?
O33 Dy3 O10 69.3(4) . . ?
Dy3 Dy5 H37B 109.9 . . ?
O13 Dy5 Dy3 40.8(2) . . ?
O13 Dy5 O10 75.6(3) . . ?
O13 Dy5 O35 77.6(4) . . ?
O13 Dy5 O34 80.7(3) . . ?
O13 Dy5 O33 66.2(3) . . ?
O13 Dy5 N3 70.8(3) . . ?
O13 Dy5 O12 134.1(3) . . ?
O13 Dy5 O37 139.9(4) . . ?
O13 Dy5 H37B 150.7 . . ?
O13 Dy5 O36 129.3(4) . . ?
O13 Dy5 C61 70.9(4) . . ?
O13 Dy5 C62 104.2(6) . . ?
O10 Dy5 Dy3 42.7(2) . . ?
O10 Dy5 O35 83.7(5) . . ?
O10 Dy5 O34 120.1(4) . . ?
O10 Dy5 O33 68.7(3) . . ?
O10 Dy5 N3 141.5(3) . . ?
O10 Dy5 O12 150.0(3) . . ?
O10 Dy5 O37 85.4(3) . . ?
O10 Dy5 H37B 78.9 . . ?
O10 Dy5 O36 82.9(4) . . ?
O10 Dy5 C61 94.3(4) . . ?
O10 Dy5 C62 80.4(6) . . ?
O35 Dy5 Dy3 97.1(4) . . ?
O35 Dy5 O34 142.4(4) . . ?
O35 Dy5 O33 138.5(5) . . ?
O35 Dy5 N3 71.4(4) . . ?
O35 Dy5 H37B 113.8 . . ?
O35 Dy5 C61 147.8(5) . . ?
O35 Dy5 C62 28.6(6) . . ?
O34 Dy5 Dy3 85.7(2) . . ?
O34 Dy5 O33 51.4(3) . . ?
O34 Dy5 N3 72.5(3) . . ?
O34 Dy5 H37B 100.0 . . ?
O34 Dy5 C61 25.8(3) . . ?
O34 Dy5 C62 159.4(5) . . ?
O33 Dy5 Dy3 41.73(18) . . ?
O33 Dy5 H37B 91.1 . . ?
O33 Dy5 C61 25.6(3) . . ?
O33 Dy5 C62 149.0(5) . . ?
N3 Dy5 Dy3 110.8(3) . . ?
N3 Dy5 O33 112.3(3) . . ?
N3 Dy5 H37B 137.8 . . ?
N3 Dy5 C61 92.0(4) . . ?
N3 Dy5 C62 90.0(6) . . ?
O12 Dy5 Dy3 162.3(4) . . ?
O12 Dy5 O35 97.3(5) . . ?
O12 Dy5 O34 76.5(4) . . ?
O12 Dy5 O33 122.3(4) . . ?
O12 Dy5 N3 64.5(3) . . ?
O12 Dy5 O37 72.9(3) . . ?
O12 Dy5 H37B 73.3 . . ?
O12 Dy5 O36 73.7(5) . . ?
O12 Dy5 C61 100.1(4) . . ?
O12 Dy5 C62 86.2(6) . . ?
O37 Dy5 Dy3 103.4(3) . . ?
O37 Dy5 O35 135.6(4) . . ?
O37 Dy5 O34 78.8(3) . . ?
O37 Dy5 O33 74.0(3) . . ?
O37 Dy5 N3 132.8(3) . . ?
O37 Dy5 H37B 21.8 . . ?
O37 Dy5 O36 81.5(5) . . ?
O37 Dy5 C61 75.8(4) . . ?
O37 Dy5 C62 107.1(6) . . ?
O36 Dy5 Dy3 123.5(3) . . ?
O36 Dy5 O35 54.5(5) . . ?
O36 Dy5 O34 148.0(4) . . ?
O36 Dy5 O33 143.5(4) . . ?
O36 Dy5 N3 104.2(5) . . ?
O36 Dy5 H37B 60.3 . . ?
O36 Dy5 C61 157.3(4) . . ?
O36 Dy5 C62 26.1(6) . . ?
C61 Dy5 Dy3 62.4(3) . . ?
C61 Dy5 H37B 97.1 . . ?
C62 Dy5 Dy3 111.2(5) . . ?
C62 Dy5 H37B 85.5 . . ?
C62 Dy5 C61 173.6(6) . . ?
Dy4 O30 Dy6 92.3(2) . . ?
C56 O30 Dy6 92.1(6) . . ?
C56 O30 Dy4 136.0(7) . . ?
C50 O21 Dy3 137.3(7) . . ?
Dy4 O4 Dy2 112.7(3) . . ?
C12 O4 Dy4 118.5(6) . . ?
C12 O4 Dy2 117.7(6) . . ?
Dy1 O15 Dy2 98.4(3) . . ?
C43 O15 Dy2 115.5(6) . . ?
C43 O15 Dy1 143.8(7) . . ?
Dy3 O9 Dy4 112.3(3) . . ?
C27 O9 Dy4 114.8(7) . . ?
C27 O9 Dy3 120.2(7) . . ?
Dy2 O14 Dy3 113.1(4) . . ?
C44 O14 Dy2 118.8(7) . . ?
C44 O14 Dy3 117.2(6) . . ?
Dy2 O22 Dy4 105.0(3) . . ?
Dy3 O22 Dy4 105.5(3) . . ?
Dy3 O22 Dy2 105.6(3) . . ?
Dy6 O8 Dy4 102.4(3) . . ?
C26 O8 Dy6 140.6(7) . . ?
C26 O8 Dy4 115.9(6) . . ?
C8 O2 Dy1 125.2(7) . . ?
Dy5 O13 Dy3 102.4(3) . . ?
C45 O13 Dy3 114.8(7) . . ?
C45 O13 Dy5 140.6(9) . . ?
O15 C43 C44 116.7(10) . . ?
O15 C43 C42 127.9(11) . . ?
C42 C43 C44 115.1(11) . . ?
C48 O19 Dy4 136.0(8) . . ?
C48 O18 Dy2 140.4(8) . . ?
C15 C10 N2 121.0(10) . . ?
C15 C10 C11 117.2(9) . . ?
N2 C10 C11 121.8(9) . . ?
Dy5 O10 Dy3 98.8(3) . . ?
C28 O10 Dy3 113.2(8) . . ?
C28 O10 Dy5 146.7(10) . . ?
Dy6 O5 Dy4 98.7(3) . . ?
C13 O5 Dy6 146.3(6) . . ?
C13 O5 Dy4 113.4(6) . . ?
C23 O7 Dy6 122.0(7) . . ?
C15 C14 H14 119.6 . . ?
C15 C14 C13 120.9(9) . . ?
C13 C14 H14 119.6 . . ?
Dy2 O25 Dy1 92.1(3) . . ?
C53 O25 Dy2 136.2(7) . . ?
C53 O25 Dy1 91.0(7) . . ?
C22 O6 H6 109.5 . . ?
O13 C45 C44 119.9(11) . . ?
O13 C45 C40 122.3(10) . . ?
C44 C45 C40 117.7(10) . . ?
C58 O29 Dy6 91.8(9) . . ?
C46 O16 Dy3 136.8(11) . . ?
O14 C44 C43 117.3(10) . . ?
C45 C44 O14 116.6(10) . . ?
C45 C44 C43 126.1(11) . . ?
Dy1 O3 Dy2 102.1(3) . . ?
C11 O3 Dy2 114.9(6) . . ?
C11 O3 Dy1 141.1(6) . . ?
C54 O23 Dy1 91.6(10) . . ?
C56 O31 Dy6 96.2(6) . . ?
C10 C15 H15 118.9 . . ?
C14 C15 C10 122.2(10) . . ?
C14 C15 H15 118.9 . . ?
C62 O35 Dy5 88.4(13) . . ?
C46 O17 Dy2 133.6(10) . . ?
O10 C28 C27 117.3(12) . . ?
O10 C28 C29 126.4(13) . . ?
C29 C28 C27 116.2(12) . . ?
C53 O26 Dy1 96.9(7) . . ?
C61 O34 Dy5 98.0(7) . . ?
O21 C50 C51 118.2(10) . . ?
O20 C50 O21 124.1(9) . . ?
O20 C50 C51 117.8(11) . . ?
C54 O24 Dy1 90.3(10) . . ?
N6 N5 Dy6 112.7(7) . . ?
C24 N5 Dy6 132.5(8) . . ?
C24 N5 N6 114.7(10) . . ?
O4 C12 C13 119.2(9) . . ?
O4 C12 C11 118.9(9) . . ?
C11 C12 C13 121.8(9) . . ?
O9 C27 C28 116.2(11) . . ?
C26 C27 O9 121.0(11) . . ?
C26 C27 C28 122.7(10) . . ?
C10 N2 H2 117.2 . . ?
N1 N2 C10 125.6(10) . . ?
N1 N2 H2 117.2 . . ?
O5 C13 C14 125.6(9) . . ?
O5 C13 C12 116.5(9) . . ?
C14 C13 C12 117.8(9) . . ?
N5 N6 H6A 121.8 . . ?
C23 N6 N5 116.5(9) . . ?
C23 N6 H6A 121.8 . . ?
C50 O20 Dy4 137.7(7) . . ?
N3 N4 H4 121.4 . . ?
C38 N4 H4 121.4 . . ?
C38 N4 N3 117.3(11) . . ?
C39 C40 C45 121.5(10) . . ?
C41 C40 C45 117.3(11) . . ?
C41 C40 C39 121.1(11) . . ?
O30 C56 Dy6 62.9(6) . . ?
O30 C56 O31 120.8(10) . . ?
O30 C56 C57 119.2(10) . . ?
O31 C56 Dy6 57.9(5) . . ?
O31 C56 C57 120.0(10) . . ?
C57 C56 Dy6 177.7(8) . . ?
Dy3 O33 Dy5 91.7(3) . . ?
C61 O33 Dy3 136.6(9) . . ?
C61 O33 Dy5 90.7(8) . . ?
N2 N1 Dy1 132.8(7) . . ?
N2 N1 C9 114.5(9) . . ?
C9 N1 Dy1 112.7(7) . . ?
C40 C39 H39 116.7 . . ?
N3 C39 C40 126.6(11) . . ?
N3 C39 H39 116.7 . . ?
N4 N3 Dy5 112.8(7) . . ?
C39 N3 Dy5 132.0(8) . . ?
C39 N3 N4 115.1(10) . . ?
N1 C9 H9 121.4 . . ?
C8 C9 N1 117.2(10) . . ?
C8 C9 H9 121.4 . . ?
O3 C11 C10 122.3(9) . . ?
O3 C11 C12 117.5(9) . . ?
C12 C11 C10 120.0(9) . . ?
C38 O12 Dy5 124.5(9) . . ?
C58 O28 Dy6 91.9(9) . . ?
C43 C42 H42 119.0 . . ?
C43 C42 C41 122.1(11) . . ?
C41 C42 H42 119.0 . . ?
N5 C24 H24 116.8 . . ?
N5 C24 C25 126.4(12) . . ?
C25 C24 H24 116.8 . . ?
C28 C29 H29 119.3 . . ?
C30 C29 C28 121.3(13) . . ?
C30 C29 H29 119.3 . . ?
O7 C23 N6 123.9(10) . . ?
O7 C23 C22 120.3(10) . . ?
N6 C23 C22 115.7(10) . . ?
O19 C48 C49 115.8(12) . . ?
O18 C48 O19 122.9(11) . . ?
O18 C48 C49 121.1(12) . . ?
C40 C41 H41 119.3 . . ?
C42 C41 C40 121.4(11) . . ?
C42 C41 H41 119.3 . . ?
O8 C26 C27 116.7(10) . . ?
O8 C26 C25 124.3(10) . . ?
C27 C26 C25 118.9(11) . . ?
C26 C25 C24 121.2(12) . . ?
C30 C25 C24 120.3(12) . . ?
C30 C25 C26 118.3(12) . . ?
O16 C46 O17 128.3(16) . . ?
O16 C46 C47 123.7(18) . . ?
O17 C46 C47 106.2(16) . . ?
C64 O2AA H2AA 109.5 . . ?
C29 C30 C25 122.2(12) . . ?
C29 C30 H30 118.9 . . ?
C25 C30 H30 118.9 . . ?
Dy5 O37 H37A 127.9 . . ?
Dy5 O37 H37B 78.2 . . ?
H37A O37 H37B 122.5 . . ?
C62 O36 Dy5 92.1(14) . . ?
O34 C61 Dy5 56.2(6) . . ?
O34 C61 C60 119.8(12) . . ?
O33 C61 Dy5 63.6(8) . . ?
O33 C61 O34 119.7(12) . . ?
O33 C61 C60 120.4(13) . . ?
C60 C61 Dy5 172.9(10) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O6 C22 C23 109.9(10) . . ?
O6 C22 C21 111.6(10) . . ?
C21 C22 C23 107.9(9) . . ?
C61 C60 H60A 109.5 . . ?
C61 C60 H60B 109.5 . . ?
C61 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O25 C53 Dy1 63.5(7) . . ?
O25 C53 C52 118.5(12) . . ?
O26 C53 Dy1 57.9(7) . . ?
O26 C53 O25 121.4(12) . . ?
O26 C53 C52 120.0(12) . . ?
C52 C53 Dy1 176.3(10) . . ?
O2 C8 C9 120.5(10) . . ?
O2 C8 C7 123.0(11) . . ?
C9 C8 C7 116.0(11) . . ?
O11 C37 C38 108.2(12) . . ?
O11 C37 C36 113.7(11) . . ?
C38 C37 C36 117.1(11) . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
N4 C38 C37 115.6(12) . . ?
O12 C38 N4 120.5(13) . . ?
O12 C38 C37 123.6(12) . . ?
O29 C58 Dy6 60.9(7) . . ?
O29 C58 C59 114.9(17) . . ?
O28 C58 Dy6 61.0(8) . . ?
O28 C58 O29 121.9(13) . . ?
O28 C58 C59 123.1(17) . . ?
C59 C58 Dy6 175.3(16) . . ?
O1 C7 C8 105.9(11) . . ?
O1 C7 C6 126.1(13) . . ?
C6 C7 C8 121.2(13) . . ?
C20 C21 C22 121.2(8) . . ?
C20 C21 C16 120.0 . . ?
C16 C21 C22 118.8(8) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 C21 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C19 H19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C18 H18 120.0 . . ?
C17 C18 C19 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C17 H17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C21 C16 H16 120.0 . . ?
C17 C16 C21 120.0 . . ?
C17 C16 H16 120.0 . . ?
O23 C54 Dy1 61.3(9) . . ?
O23 C54 C55 123.2(18) . . ?
O24 C54 Dy1 63.3(9) . . ?
O24 C54 O23 124.0(16) . . ?
O24 C54 C55 112.3(18) . . ?
C55 C54 Dy1 175.5(15) . . ?
C53 C52 H52A 109.5 . . ?
C53 C52 H52B 109.5 . . ?
C53 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
O2AA C64 H64A 109.5 . . ?
O2AA C64 H64B 109.5 . . ?
O2AA C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C36 C31 H31 120.0 . . ?
C36 C31 C32 120.0 . . ?
C32 C31 H31 120.0 . . ?
C31 C36 C37 123.9(8) . . ?
C35 C36 C37 116.1(8) . . ?
C35 C36 C31 120.0 . . ?
C36 C35 H35 120.0 . . ?
C36 C35 C34 120.0 . . ?
C34 C35 H35 120.0 . . ?
C35 C34 H34 120.0 . . ?
C33 C34 C35 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C33 H33 120.0 . . ?
C32 C33 C34 120.0 . . ?
C32 C33 H33 120.0 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32 120.0 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C2 C1 H1 120.0 . . ?
C2 C1 C6 120.0 . . ?
C6 C1 H1 120.0 . . ?
C1 C2 H2A 120.0 . . ?
C3 C2 C1 120.0 . . ?
C3 C2 H2A 120.0 . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4A 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4A 120.0 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C6 C5 H5 120.0 . . ?
C1 C6 C7 115.4(11) . . ?
C5 C6 C7 123.9(11) . . ?
C5 C6 C1 120.0 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C4BA O4BA H4BA 109.5 . . ?
O4BA C4BA H4BB 109.5 . . ?
O4BA C4BA H4BC 109.5 . . ?
O4BA C4BA H4BD 109.5 . . ?
H4BB C4BA H4BC 109.5 . . ?
H4BB C4BA H4BD 109.5 . . ?
H4BC C4BA H4BD 109.5 . . ?
O35 C62 Dy5 63.0(11) . . ?
O35 C62 C63 118(2) . . ?
O36 C62 Dy5 61.9(12) . . ?
O36 C62 O35 124(2) . . ?
O36 C62 C63 117(2) . . ?
C63 C62 Dy5 178(2) . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
Dy6 O32 H32A 116.6 . . ?
Dy1 O27 H27A 111.1 . . ?
Dy1 O27 H27B 93.6 . . ?
H27A O27 H27B 98.4 . . ?

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
Dy6 O30 C56 O31 0.9(10) . . . . ?
Dy6 O30 C56 C57 178.8(10) . . . . ?
Dy6 O8 C26 C27 -154.9(9) . . . . ?
Dy6 O8 C26 C25 29(2) . . . . ?
Dy6 O5 C13 C14 -32(2) . . . . ?
Dy6 O5 C13 C12 150.3(10) . . . . ?
Dy6 O7 C23 N6 -2.2(16) . . . . ?
Dy6 O7 C23 C22 176.4(8) . . . . ?
Dy6 O29 C58 O28 1.4(16) . . . . ?
Dy6 O29 C58 C59 177.7(15) . . . . ?
Dy6 O31 C56 O30 -1.0(11) . . . . ?
Dy6 O31 C56 C57 -178.8(10) . . . . ?
Dy6 N5 N6 C23 -2.7(12) . . . . ?
Dy6 N5 C24 C25 -7(2) . . . . ?
Dy6 O28 C58 O29 -1.4(16) . . . . ?
Dy6 O28 C58 C59 -177.4(18) . . . . ?
Dy4 O30 C56 Dy6 95.4(9) . . . . ?
Dy4 O30 C56 O31 96.3(12) . . . . ?
Dy4 O30 C56 C57 -85.8(14) . . . . ?
Dy4 O4 C12 C13 18.2(13) . . . . ?
Dy4 O4 C12 C11 -159.6(9) . . . . ?
Dy4 O9 C27 C28 158.7(10) . . . . ?
Dy4 O9 C27 C26 -18.2(14) . . . . ?
Dy4 O8 C26 C27 10.5(15) . . . . ?
Dy4 O8 C26 C25 -165.4(11) . . . . ?
Dy4 O19 C48 O18 3(2) . . . . ?
Dy4 O19 C48 C49 -172.9(10) . . . . ?
Dy4 O5 C13 C14 166.5(10) . . . . ?
Dy4 O5 C13 C12 -10.7(13) . . . . ?
Dy2 O4 C12 C13 159.8(8) . . . . ?
Dy2 O4 C12 C11 -18.1(14) . . . . ?
Dy2 O15 C43 C44 -9.0(14) . . . . ?
Dy2 O15 C43 C42 164.9(11) . . . . ?
Dy2 O14 C44 C43 19.3(15) . . . . ?
Dy2 O14 C44 C45 -160.1(10) . . . . ?
Dy2 O18 C48 O19 -2(2) . . . . ?
Dy2 O18 C48 C49 173.5(11) . . . . ?
Dy2 O25 C53 Dy1 94.1(9) . . . . ?
Dy2 O25 C53 O26 95.1(13) . . . . ?
Dy2 O25 C53 C52 -82.5(14) . . . . ?
Dy2 O3 C11 C10 -165.4(9) . . . . ?
Dy2 O3 C11 C12 8.3(13) . . . . ?
Dy2 O17 C46 O16 3(3) . . . . ?
Dy2 O17 C46 C47 167.5(13) . . . . ?
Dy1 O15 C43 C44 148.9(10) . . . . ?
Dy1 O15 C43 C42 -37(2) . . . . ?
Dy1 O2 C8 C9 6.1(19) . . . . ?
Dy1 O2 C8 C7 178.3(9) . . . . ?
Dy1 O25 C53 O26 1.0(11) . . . . ?
Dy1 O25 C53 C52 -176.6(10) . . . . ?
Dy1 O3 C11 C10 33.8(19) . . . . ?
Dy1 O3 C11 C12 -152.5(9) . . . . ?
Dy1 O23 C54 O24 8.5(18) . . . . ?
Dy1 O23 C54 C55 -179.9(19) . . . . ?
Dy1 O26 C53 O25 -1.1(11) . . . . ?
Dy1 O26 C53 C52 176.5(10) . . . . ?
Dy1 O24 C54 O23 -8.3(18) . . . . ?
Dy1 O24 C54 C55 179.2(16) . . . . ?
Dy1 N1 C9 C8 -4.6(14) . . . . ?
Dy3 O21 C50 O20 7(2) . . . . ?
Dy3 O21 C50 C51 -173.8(10) . . . . ?
Dy3 O9 C27 C28 19.9(14) . . . . ?
Dy3 O9 C27 C26 -157.0(10) . . . . ?
Dy3 O14 C44 C43 161.0(9) . . . . ?
Dy3 O14 C44 C45 -18.3(16) . . . . ?
Dy3 O13 C45 C44 7.7(16) . . . . ?
Dy3 O13 C45 C40 -168.8(10) . . . . ?
Dy3 O10 C28 C27 -14.7(17) . . . . ?
Dy3 O10 C28 C29 167.0(14) . . . . ?
Dy3 O16 C46 O17 -3(3) . . . . ?
Dy3 O16 C46 C47 -165.7(14) . . . . ?
Dy3 O33 C61 Dy5 93.2(12) . . . . ?
Dy3 O33 C61 O34 96.8(16) . . . . ?
Dy3 O33 C61 C60 -80.1(18) . . . . ?
Dy5 O13 C45 C44 -151.7(11) . . . . ?
Dy5 O13 C45 C40 32(2) . . . . ?
Dy5 O10 C28 C27 148.4(11) . . . . ?
Dy5 O10 C28 C29 -30(3) . . . . ?
Dy5 O35 C62 O36 8(2) . . . . ?
Dy5 O35 C62 C63 -178(2) . . . . ?
Dy5 O34 C61 O33 -3.8(13) . . . . ?
Dy5 O34 C61 C60 173.1(11) . . . . ?
Dy5 O33 C61 O34 3.6(12) . . . . ?
Dy5 O33 C61 C60 -173.3(12) . . . . ?
Dy5 O12 C38 N4 0(2) . . . . ?
Dy5 O12 C38 C37 -172.6(11) . . . . ?
Dy5 O36 C62 O35 -8(2) . . . . ?
Dy5 O36 C62 C63 178(2) . . . . ?
O21 C50 O20 Dy4 -11.2(18) . . . . ?
O4 C12 C13 O5 -3.8(16) . . . . ?
O4 C12 C13 C14 178.7(11) . . . . ?
O4 C12 C11 C10 179.8(11) . . . . ?
O4 C12 C11 O3 5.9(17) . . . . ?
O15 C43 C44 O14 -5.7(18) . . . . ?
O15 C43 C44 C45 173.6(13) . . . . ?
O15 C43 C42 C41 -177.6(13) . . . . ?
O9 C27 C26 O8 5.0(18) . . . . ?
O9 C27 C26 C25 -178.9(12) . . . . ?
O8 C26 C25 C24 -8(2) . . . . ?
O8 C26 C25 C30 176.9(13) . . . . ?
O2 C8 C7 O1 30.0(18) . . . . ?
O2 C8 C7 C6 -122.7(16) . . . . ?
O13 C45 C44 O14 6.5(19) . . . . ?
O13 C45 C44 C43 -172.8(13) . . . . ?
O13 C45 C40 C39 -2(2) . . . . ?
O13 C45 C40 C41 174.5(13) . . . . ?
C43 C42 C41 C40 5(2) . . . . ?
C10 N2 N1 Dy1 0(2) . . . . ?
C10 N2 N1 C9 178.0(12) . . . . ?
O10 C28 C27 O9 -1.6(19) . . . . ?
O10 C28 C27 C26 175.2(14) . . . . ?
O10 C28 C29 C30 -179.1(16) . . . . ?
O7 C23 C22 O6 26.0(15) . . . . ?
O7 C23 C22 C21 -95.9(13) . . . . ?
O6 C22 C21 C20 114.1(9) . . . . ?
O6 C22 C21 C16 -63.9(11) . . . . ?
C45 C40 C39 N3 -12(2) . . . . ?
C45 C40 C41 C42 -2(2) . . . . ?
C44 C43 C42 C41 -4(2) . . . . ?
C44 C45 C40 C39 -178.4(14) . . . . ?
C44 C45 C40 C41 -2(2) . . . . ?
C15 C10 N2 N1 172.4(13) . . . . ?
C15 C10 C11 O3 174.4(11) . . . . ?
C15 C10 C11 C12 0.9(18) . . . . ?
C15 C14 C13 O5 -175.0(12) . . . . ?
C15 C14 C13 C12 2.2(19) . . . . ?
C28 C27 C26 O8 -171.7(13) . . . . ?
C28 C27 C26 C25 4(2) . . . . ?
C28 C29 C30 C25 3(3) . . . . ?
N5 N6 C23 O7 3.4(17) . . . . ?
N5 N6 C23 C22 -175.3(9) . . . . ?
N5 C24 C25 C26 0(2) . . . . ?
N5 C24 C25 C30 174.9(15) . . . . ?
C27 C28 C29 C30 3(2) . . . . ?
C27 C26 C25 C24 175.8(14) . . . . ?
C27 C26 C25 C30 1(2) . . . . ?
N2 C10 C15 C14 177.6(13) . . . . ?
N2 C10 C11 O3 -5.4(19) . . . . ?
N2 C10 C11 C12 -179.0(12) . . . . ?
N2 N1 C9 C8 177.3(12) . . . . ?
C13 C14 C15 C10 1(2) . . . . ?
C13 C12 C11 C10 2.0(18) . . . . ?
C13 C12 C11 O3 -171.9(11) . . . . ?
O1 C7 C6 C1 -86.4(17) . . . . ?
O1 C7 C6 C5 84.1(18) . . . . ?
N6 N5 C24 C25 174.1(14) . . . . ?
N6 C23 C22 O6 -155.2(10) . . . . ?
N6 C23 C22 C21 82.8(12) . . . . ?
C40 C45 C44 O14 -176.8(12) . . . . ?
C40 C45 C44 C43 4(2) . . . . ?
C40 C39 N3 Dy5 2(2) . . . . ?
C40 C39 N3 N4 178.0(14) . . . . ?
N1 C9 C8 O2 -0.2(19) . . . . ?
N1 C9 C8 C7 -173.0(11) . . . . ?
C39 C40 C41 C42 174.0(14) . . . . ?
N3 N4 C38 O12 5(2) . . . . ?
N3 N4 C38 C37 178.3(12) . . . . ?
C9 C8 C7 O1 -157.4(12) . . . . ?
C9 C8 C7 C6 49.9(19) . . . . ?
C11 C10 C15 C14 -2.2(19) . . . . ?
C11 C10 N2 N1 -8(2) . . . . ?
C11 C12 C13 O5 173.9(11) . . . . ?
C11 C12 C13 C14 -3.5(18) . . . . ?
O11 C37 C38 N4 -167.5(13) . . . . ?
O11 C37 C38 O12 6(2) . . . . ?
O11 C37 C36 C31 -80.3(13) . . . . ?
O11 C37 C36 C35 97.3(13) . . . . ?
C42 C43 C44 O14 179.7(12) . . . . ?
C42 C43 C44 C45 -1(2) . . . . ?
C24 N5 N6 C23 176.4(12) . . . . ?
C24 C25 C30 C29 -179.5(17) . . . . ?
C29 C28 C27 O9 176.9(13) . . . . ?
C29 C28 C27 C26 -6(2) . . . . ?
C23 C22 C21 C20 -125.0(9) . . . . ?
C23 C22 C21 C16 57.0(11) . . . . ?
C41 C40 C39 N3 172.4(15) . . . . ?
C26 C25 C30 C29 -5(2) . . . . ?
C51 C50 O20 Dy4 169.7(8) . . . . ?
C22 C21 C20 C19 -178.0(10) . . . . ?
C22 C21 C16 C17 178.1(10) . . . . ?
C8 C7 C6 C1 60.5(17) . . . . ?
C8 C7 C6 C5 -128.9(13) . . . . ?
C37 C36 C35 C34 -177.8(10) . . . . ?
C38 N4 N3 Dy5 -6.9(15) . . . . ?
C38 N4 N3 C39 176.1(14) . . . . ?
C38 C37 C36 C31 47.1(15) . . . . ?
C38 C37 C36 C35 -135.2(11) . . . . ?
C21 C20 C19 C18 0.0 . . . . ?
C20 C21 C16 C17 0.0 . . . . ?
C20 C19 C18 C17 0.0 . . . . ?
C19 C18 C17 C16 0.0 . . . . ?
C18 C17 C16 C21 0.0 . . . . ?
C16 C21 C20 C19 0.0 . . . . ?
C31 C36 C35 C34 0.0 . . . . ?
C36 C37 C38 N4 62.4(17) . . . . ?
C36 C37 C38 O12 -124.4(16) . . . . ?
C36 C31 C32 C33 0.0 . . . . ?
C36 C35 C34 C33 0.0 . . . . ?
C35 C34 C33 C32 0.0 . . . . ?
C34 C33 C32 C31 0.0 . . . . ?
C32 C31 C36 C37 177.6(11) . . . . ?
C32 C31 C36 C35 0.0 . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C2 C1 C6 C7 170.9(14) . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C7 -170.1(16) . . . . ?
C4 C5 C6 C1 0.0 . . . . ?
C6 C1 C2 C3 0.0 . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 -0.014 0.000 1064.1 102.8 ?
2 0.000 0.541 0.000 29.1 6.5 ?
3 0.500 0.486 0.500 1064.1 102.8 ?
4 0.500 0.041 0.500 29.1 6.5 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.405
_oxdiff_exptl_absorpt_empirical_full_min 0.793
