# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 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_20220113-lfp-lyl-4942-2
_database_code_depnum_ccdc_archive 'CCDC 2217384'
loop_
_audit_author_name
_audit_author_address
'Zhong-Hong Zhu'
;Guangxi Normal University
China
;
_audit_update_record             
;
2022-11-04 deposited with the CCDC.	2022-11-28 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT097_20220113-lfp-lyl-4942-2 
;
PROBLEM: ALERT_2_B Large Reported Max. (Positive) Residual Density 7.72 eA-3
RESPONSE:Poor crystals - many collected - best result presented.
;
_vrf_PLAT420_20220113-lfp-lyl-4942-2 
;
PROBLEM: ALERT_2_B D-H Bond Without Acceptor O63 --H63 . Please Check
ALERT_2_B D-H Bond Without Acceptor O72 --H72 . Please Check
ALERT_2_B D-H Bond Without Acceptor O74 --H74A . Please Check
ALERT_2_B D-H Bond Without Acceptor O75 --H75 . Please Check
RESPONSE: No acceptable             
;

# Added during the CSD deposition process: Friday August 09 2022 21:36 PM
# end Validation Reply Form



_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C78 H134 Dy8 N20 O46'
_chemical_formula_weight         3388.04

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'
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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.7519(2)
_cell_length_b                   15.0363(2)
_cell_length_c                   17.3580(3)
_cell_angle_alpha                71.4304(13)
_cell_angle_beta                 81.7596(16)
_cell_angle_gamma                84.3800(14)
_cell_volume                     2628.60(8)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    13592
_cell_measurement_theta_min      3.0600
_cell_measurement_theta_max      74.8730

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.140
_exptl_crystal_F_000             1638
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    30.668
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33758
_diffrn_reflns_av_unetI/netI     0.0561
_diffrn_reflns_av_R_equivalents  0.0770
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.705
_diffrn_reflns_theta_max         75.784
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             10572
_reflns_number_gt                9170
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1958P)²+1.3300P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10572
_refine_ls_number_parameters     718
_refine_ls_number_restraints     25
_refine_ls_R_factor_all          0.0927
_refine_ls_R_factor_gt           0.0857
_refine_ls_wR_factor_ref         0.2326
_refine_ls_wR_factor_gt          0.2240
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.53245(5) 0.72700(3) 0.41095(3) 0.01255(17) Uani 1 1 d . . . . .
Dy1 Dy 0.33250(5) 0.51479(3) 0.51861(3) 0.01263(17) Uani 1 1 d D . . . .
Dy3 Dy 0.37565(5) 0.82389(3) 0.21887(3) 0.01468(17) Uani 1 1 d D . . . .
Dy2 Dy 0.48839(5) 0.56384(3) 0.30370(3) 0.01310(17) Uani 1 1 d . . . . .
O5 O 0.4983(6) 0.5764(4) 0.4292(3) 0.0103(11) Uani 1 1 d . . . . .
O6 O 0.3182(6) 0.6676(4) 0.2653(4) 0.0179(13) Uani 1 1 d . . . . .
O29 O 0.3214(6) 0.5117(4) 0.6565(4) 0.0153(12) Uani 1 1 d . . . . .
O30 O 0.5494(6) 0.7197(4) 0.2755(4) 0.0138(12) Uani 1 1 d . . . . .
O32 O 0.2229(6) 0.6426(4) 0.4211(4) 0.0170(12) Uani 1 1 d D . . . .
H32A H 0.227(10) 0.646(4) 0.3712(18) 0.026 Uiso 1 1 d D U . . .
H32B H 0.224(10) 0.6996(18) 0.420(4) 0.026 Uiso 1 1 d D U . . .
O54 O 0.2812(6) 0.3579(4) 0.5563(4) 0.0154(12) Uani 1 1 d . . . . .
O44 O 0.5557(6) 0.5947(4) 0.1695(4) 0.0179(13) Uani 1 1 d . . . . .
O55 O 0.4773(7) 0.7704(4) 0.1103(4) 0.0235(14) Uani 1 1 d D . . . .
H55 H 0.524(7) 0.720(4) 0.1223(18) 0.035 Uiso 1 1 d D U . . .
O18 O 0.3807(6) 0.6709(4) 0.5306(3) 0.0160(12) Uani 1 1 d . . . . .
O57 O 0.1407(6) 0.8227(5) 0.2699(4) 0.0247(14) Uani 1 1 d . . . . .
O61 O 0.3626(6) 0.8131(4) 0.3535(4) 0.0163(12) Uani 1 1 d . . . . .
O63 O 0.1073(6) 0.5285(5) 0.5568(4) 0.0221(14) Uani 1 1 d D . . . .
H63 H 0.065(3) 0.579(3) 0.535(4) 0.033 Uiso 1 1 d D U . . .
O65 O 0.5414(7) 0.9236(4) 0.2111(4) 0.0236(14) Uani 1 1 d D . . . .
H65A H 0.573(9) 0.925(6) 0.252(3) 0.035 Uiso 1 1 d D U . . .
H65B H 0.552(7) 0.976(3) 0.174(3) 0.035 Uiso 1 1 d D U . . .
O19 O 0.6373(6) 0.8588(4) 0.3544(4) 0.0181(13) Uani 1 1 d . . . . .
O43 O 0.3374(6) 0.4694(4) 0.3972(4) 0.0148(12) Uani 1 1 d . . . . .
N16 N 0.4369(7) 0.7752(5) 0.5885(4) 0.0156(15) Uani 1 1 d . . . . .
H16 H 0.4296 0.7987 0.6282 0.019 Uiso 1 1 calc DR U . . .
O66 O 0.2933(8) 1.1022(5) 0.0878(5) 0.0369(18) Uani 1 1 d . . . . .
O69 O 0.3844(7) 0.9658(5) 0.0895(4) 0.0255(14) Uani 1 1 d . . . . .
N40 N 0.4358(7) 0.4299(5) 0.2669(4) 0.0172(15) Uani 1 1 d . . . . .
N41 N 0.3482(8) 0.3679(5) 0.3204(5) 0.0209(16) Uani 1 1 d . . . . .
H41 H 0.3272 0.3184 0.3118 0.025 Uiso 1 1 calc R U . . .
O60 O 0.1934(7) 0.8351(5) 0.1418(4) 0.0283(15) Uani 1 1 d . . . . .
O68 O 0.2801(6) 0.9851(4) 0.2007(4) 0.0217(13) Uani 1 1 d . . . . .
N15 N 0.5224(7) 0.8085(5) 0.5156(4) 0.0165(15) Uani 1 1 d . . . . .
O59 O -0.0048(8) 0.8255(6) 0.1929(6) 0.045(2) Uani 1 1 d . . . . .
O70 O 0.4537(9) 0.8499(9) 0.7140(6) 0.059(3) Uani 1 1 d . . . . .
H70 H 0.4044 0.8097 0.7520 0.071 Uiso 1 1 d DR U . . .
C24 C 0.2616(9) 0.5724(6) 0.6938(5) 0.0165(17) Uani 1 1 d . . . . .
N67 N 0.3177(8) 1.0210(5) 0.1250(5) 0.0243(17) Uani 1 1 d . . . . .
N20 N 0.9751(8) 1.0617(6) 0.2852(5) 0.0236(17) Uani 1 1 d . . . . .
N58 N 0.1083(8) 0.8290(6) 0.2010(6) 0.0265(18) Uani 1 1 d . . . . .
N45 N 0.7852(10) 0.5880(6) -0.0852(5) 0.034(2) Uani 1 1 d . . . . .
C51 C 0.0147(9) 0.2280(6) 0.5477(6) 0.0197(18) Uani 1 1 d . . . . .
H51 H -0.0467 0.1909 0.5833 0.024 Uiso 1 1 calc R U . . .
O72 O 0.6887(8) 0.9933(7) 0.0694(5) 0.046(2) Uani 1 1 d . . . . .
H72 H 0.6470 0.9515 0.0674 0.069 Uiso 1 1 calc DR U . . .
C47 C 0.8177(11) 0.5399(8) -0.1462(6) 0.029(2) Uani 1 1 d . . . . .
H47A H 0.8783 0.4890 -0.1274 0.043 Uiso 1 1 calc R U . . .
H47B H 0.8530 0.5832 -0.1965 0.043 Uiso 1 1 calc R U . . .
H47C H 0.7435 0.5158 -0.1552 0.043 Uiso 1 1 calc R U . . .
C7 C 0.2319(9) 0.6293(7) 0.2314(6) 0.022(2) Uani 1 1 d . . . . .
H7A H 0.1486 0.6554 0.2421 0.033 Uiso 1 1 calc R U . . .
H7B H 0.2340 0.5623 0.2558 0.033 Uiso 1 1 calc R U . . .
H7C H 0.2549 0.6443 0.1733 0.033 Uiso 1 1 calc R U . . .
C34 C 0.6106(9) 0.4049(7) 0.0782(6) 0.0207(19) Uani 1 1 d . . . . .
H34 H 0.5913 0.3427 0.0897 0.025 Uiso 1 1 calc R U . . .
C62 C 0.3015(9) 0.8825(6) 0.3869(6) 0.0217(19) Uani 1 1 d . . . . .
H62A H 0.2729 0.8540 0.4438 0.033 Uiso 1 1 calc R U . . .
H62B H 0.2308 0.9112 0.3581 0.033 Uiso 1 1 calc R U . . .
H62C H 0.3593 0.9295 0.3816 0.033 Uiso 1 1 calc R U . . .
C22 C 0.9858(9) 1.0646(7) 0.2011(6) 0.0219(19) Uani 1 1 d . . . . .
H22A H 1.0078 1.0027 0.1971 0.033 Uiso 1 1 calc R U . . .
H22B H 1.0500 1.1061 0.1698 0.033 Uiso 1 1 calc R U . . .
H22C H 0.9069 1.0871 0.1801 0.033 Uiso 1 1 calc R U . . .
C39 C 0.4815(8) 0.4026(6) 0.2042(6) 0.0175(18) Uani 1 1 d . . . . .
H39 H 0.4582 0.3443 0.2050 0.021 Uiso 1 1 calc R U . . .
C37 C 0.6699(9) 0.5901(6) 0.0449(5) 0.0185(18) Uani 1 1 d . . . . .
H37 H 0.6915 0.6515 0.0345 0.022 Uiso 1 1 calc R U . . .
C10 C 0.7667(9) 0.9756(6) 0.4769(6) 0.0223(19) Uani 1 1 d . . . . .
H10 H 0.7540 0.9817 0.5292 0.027 Uiso 1 1 calc R U . . .
C53 C 0.1927(8) 0.3230(6) 0.5268(5) 0.0141(16) Uani 1 1 d . . . . .
O74 O 0.3111(16) 0.8437(11) 0.8514(9) 0.119(6) Uani 1 1 d . . . . .
H74A H 0.3700 0.8493 0.8633 0.179 Uiso 1 1 d DR U . . .
H74B H 0.2596 0.8293 0.9040 0.179 Uiso 1 1 d DR U . . .
C11 C 0.8630(9) 1.0227(6) 0.4218(6) 0.0214(19) Uani 1 1 d . . . . .
H11 H 0.9148 1.0581 0.4378 0.026 Uiso 1 1 calc R U . . .
C8 C 0.7069(8) 0.9129(6) 0.3756(5) 0.0141(16) Uani 1 1 d . U . . .
C48 C 0.2002(8) 0.3378(6) 0.4415(5) 0.0151(17) Uani 1 1 d . . . . .
N13 N 0.8001(8) 0.9630(6) 0.3196(5) 0.0263(18) Uani 1 1 d . . . . .
H13 H 0.8083 0.9613 0.2701 0.032 Uiso 1 1 calc R U . . .
C23 C 0.2798(8) 0.6686(6) 0.6642(5) 0.0154(17) Uani 1 1 d . . . . .
C17 C 0.3700(8) 0.7055(6) 0.5896(5) 0.0136(16) Uani 1 1 d . . . . .
C12 C 0.8823(9) 1.0169(6) 0.3411(6) 0.0199(18) Uani 1 1 d . . . . .
C64 C 0.0296(9) 0.4742(7) 0.6288(6) 0.025(2) Uani 1 1 d D . . . .
H64A H -0.0450 0.4585 0.6127 0.037 Uiso 1 1 calc R U . . .
H64B H 0.0065 0.5107 0.6656 0.037 Uiso 1 1 calc R U . . .
H64C H 0.0759 0.4176 0.6557 0.037 Uiso 1 1 calc R U . . .
C25 C 0.1829(8) 0.5381(6) 0.7689(5) 0.0184(18) Uani 1 1 d . . . . .
H25 H 0.1678 0.4745 0.7892 0.022 Uiso 1 1 calc R U . . .
C9 C 0.6877(9) 0.9194(6) 0.4576(6) 0.0184(18) Uani 1 1 d . . . . .
C50 C 0.0206(9) 0.2450(6) 0.4622(6) 0.0211(19) Uani 1 1 d . . . . .
H50 H -0.0377 0.2203 0.4410 0.025 Uiso 1 1 calc R U . . .
C49 C 0.1133(9) 0.2983(6) 0.4114(6) 0.0199(18) Uani 1 1 d . . . . .
H49 H 0.1186 0.3086 0.3553 0.024 Uiso 1 1 calc R U . . .
C21 C 1.0713(10) 1.1068(7) 0.3095(6) 0.025(2) Uani 1 1 d . . . . .
H21A H 1.1475 1.1082 0.2728 0.037 Uiso 1 1 calc R U . . .
H21B H 1.0875 1.0720 0.3642 0.037 Uiso 1 1 calc R U . . .
H21C H 1.0420 1.1699 0.3072 0.037 Uiso 1 1 calc R U . . .
C28 C 0.2215(9) 0.7293(6) 0.7081(6) 0.0196(18) Uani 1 1 d . . . . .
H28 H 0.2342 0.7933 0.6876 0.024 Uiso 1 1 calc R U . . .
C38 C 0.5957(9) 0.5469(6) 0.1171(5) 0.0158(17) Uani 1 1 d . . . . .
C35 C 0.6857(10) 0.4475(7) 0.0055(6) 0.026(2) Uani 1 1 d . . . . .
H35 H 0.7171 0.4138 -0.0303 0.032 Uiso 1 1 calc R U . . .
C14 C 0.5933(9) 0.8713(6) 0.5200(5) 0.0193(18) Uani 1 1 d . . . . .
H14 H 0.5818 0.8866 0.5685 0.023 Uiso 1 1 calc R U . . .
C52 C 0.1009(9) 0.2669(6) 0.5778(5) 0.0186(18) Uani 1 1 d . . . . .
H52 H 0.0969 0.2549 0.6341 0.022 Uiso 1 1 calc R U . . .
C27 C 0.1462(9) 0.6946(7) 0.7811(6) 0.0216(19) Uani 1 1 d . . . . .
H27 H 0.1075 0.7350 0.8094 0.026 Uiso 1 1 calc R U . . .
C26 C 0.1284(9) 0.5977(7) 0.8124(6) 0.025(2) Uani 1 1 d . . . . .
H26 H 0.0798 0.5735 0.8624 0.029 Uiso 1 1 calc R U . . .
C36 C 0.7134(9) 0.5428(6) -0.0131(5) 0.0209(19) Uani 1 1 d . . . . .
C46 C 0.7955(11) 0.6865(7) -0.1088(6) 0.031(2) Uani 1 1 d . . . . .
H46A H 0.8730 0.7029 -0.1436 0.047 Uiso 1 1 calc R U . . .
H46B H 0.7945 0.7056 -0.0609 0.047 Uiso 1 1 calc R U . . .
H46C H 0.7260 0.7177 -0.1378 0.047 Uiso 1 1 calc R U . . .
C42 C 0.3021(8) 0.3938(6) 0.3847(5) 0.0140(16) Uani 1 1 d . . . . .
C73 C 0.8220(14) 0.9691(13) 0.0518(9) 0.060(4) Uani 1 1 d . . . . .
H73A H 0.8661 1.0256 0.0262 0.091 Uiso 1 1 calc R U . . .
H73B H 0.8322 0.9313 0.0157 0.091 Uiso 1 1 calc R U . . .
H73C H 0.8554 0.9345 0.1019 0.091 Uiso 1 1 calc R U . . .
C33 C 0.5643(10) 0.4519(6) 0.1332(6) 0.0216(19) Uani 1 1 d . . . . .
O75 O 0.1418(17) 0.7632(12) 1.0104(12) 0.112(5) Uani 1 1 d . . . . .
H75 H 0.1965 0.7214 1.0096 0.169 Uiso 1 1 calc DR U . . .
C71 C 0.5653(17) 0.8571(11) 0.7430(9) 0.067(5) Uani 1 1 d . . . . .
H71A H 0.6329 0.8238 0.7193 0.101 Uiso 1 1 calc R U . . .
H71B H 0.5566 0.8305 0.8015 0.101 Uiso 1 1 calc R U . . .
H71C H 0.5835 0.9221 0.7282 0.101 Uiso 1 1 calc R U . . .
C31 C 0.6792(11) 0.7324(7) 0.2335(6) 0.032(2) Uani 1 1 d . . . . .
H31A H 0.7198 0.7738 0.2529 0.049 Uiso 1 1 calc R U . . .
H31B H 0.6767 0.7589 0.1756 0.049 Uiso 1 1 calc R U . . .
H31C H 0.7253 0.6725 0.2448 0.049 Uiso 1 1 calc R U . . .
C56 C 0.4484(13) 0.7861(9) 0.0285(7) 0.042(3) Uani 1 1 d D . . . .
H56A H 0.5059 0.8287 -0.0097 0.063 Uiso 1 1 calc R U . . .
H56B H 0.3638 0.8127 0.0239 0.063 Uiso 1 1 calc R U . . .
H56C H 0.4560 0.7275 0.0167 0.063 Uiso 1 1 calc R U . . .
C76 C 0.025(2) 0.7259(17) 1.0281(15) 0.095(8) Uani 1 1 d . . . . .
H76A H -0.0394 0.7760 1.0183 0.143 Uiso 1 1 calc R U . . .
H76B H 0.0131 0.6881 1.0845 0.143 Uiso 1 1 calc R U . . .
H76C H 0.0192 0.6878 0.9938 0.143 Uiso 1 1 calc DR 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 O5 2.243(5) . ?
Dy4 O19 2.246(6) . ?
Dy4 O61 2.289(6) . ?
Dy4 O54 2.309(6) 2_666 ?
Dy4 O30 2.368(6) . ?
Dy4 O18 2.423(6) . ?
Dy4 N15 2.480(7) . ?
Dy4 Dy1 3.6695(6) 2_666 ?
Dy1 O5 2.250(6) . ?
Dy1 O5 2.281(6) 2_666 ?
Dy1 O54 2.339(6) . ?
Dy1 O29 2.365(6) . ?
Dy1 O43 2.406(6) . ?
Dy1 O63 2.424(7) . ?
Dy1 O32 2.451(6) . ?
Dy1 O18 2.530(6) . ?
Dy1 Dy1 3.5766(10) 2_666 ?
Dy1 Dy4 3.6695(6) 2_666 ?
Dy1 Dy2 3.6815(6) 2_666 ?
Dy3 O61 2.276(6) . ?
Dy3 O6 2.343(6) . ?
Dy3 O55 2.366(6) . ?
Dy3 O65 2.402(7) . ?
Dy3 O30 2.425(6) . ?
Dy3 O68 2.479(6) . ?
Dy3 O60 2.491(7) . ?
Dy3 O57 2.554(7) . ?
Dy3 O69 2.555(7) . ?
Dy2 O44 2.249(6) . ?
Dy2 O5 2.265(6) . ?
Dy2 O6 2.314(6) . ?
Dy2 O29 2.324(6) 2_666 ?
Dy2 O43 2.348(6) . ?
Dy2 O30 2.376(6) . ?
Dy2 N40 2.436(7) . ?
Dy2 Dy1 3.6816(6) 2_666 ?
O5 Dy1 2.281(6) 2_666 ?
O6 C7 1.419(11) . ?
O29 C24 1.344(11) . ?
O29 Dy2 2.324(6) 2_666 ?
O30 C31 1.479(13) . ?
O32 H32A 0.84(2) . ?
O32 H32B 0.85(2) . ?
O54 C53 1.361(10) . ?
O54 Dy4 2.309(6) 2_666 ?
O44 C38 1.332(10) . ?
O55 C56 1.437(12) . ?
O55 H55 0.853(10) . ?
O18 C17 1.276(10) . ?
O57 N58 1.265(11) . ?
O61 C62 1.414(11) . ?
O63 C64 1.453(11) . ?
O63 H63 0.853(10) . ?
O65 H65A 0.84(2) . ?
O65 H65B 0.84(2) . ?
O19 C8 1.321(10) . ?
O43 C42 1.323(10) . ?
N16 C17 1.321(11) . ?
N16 N15 1.432(10) . ?
N16 H16 0.8600 . ?
O66 N67 1.207(11) . ?
O69 N67 1.291(11) . ?
N40 C39 1.298(11) . ?
N40 N41 1.410(11) . ?
N41 C42 1.313(12) . ?
N41 H41 0.8600 . ?
O60 N58 1.261(12) . ?
O68 N67 1.273(11) . ?
N15 C14 1.297(12) . ?
O59 N58 1.252(11) . ?
O70 C71 1.393(17) . ?
O70 H70 0.8882 . ?
C24 C23 1.396(12) . ?
C24 C25 1.422(12) . ?
N20 C12 1.352(13) . ?
N20 C22 1.435(12) . ?
N20 C21 1.468(12) . ?
N45 C36 1.381(12) . ?
N45 C46 1.416(13) . ?
N45 C47 1.449(12) . ?
C51 C52 1.383(13) . ?
C51 C50 1.416(13) . ?
C51 H51 0.9300 . ?
O72 C73 1.457(17) . ?
O72 H72 0.8200 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C34 C33 1.372(13) . ?
C34 C35 1.396(13) . ?
C34 H34 0.9300 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C39 C33 1.448(13) . ?
C39 H39 0.9300 . ?
C37 C38 1.387(12) . ?
C37 C36 1.412(12) . ?
C37 H37 0.9300 . ?
C10 C11 1.384(14) . ?
C10 C9 1.396(13) . ?
C10 H10 0.9300 . ?
C53 C52 1.381(12) . ?
C53 C48 1.416(12) . ?
O74 H74A 0.7139 . ?
O74 H74B 0.9685 . ?
C11 C12 1.417(14) . ?
C11 H11 0.9300 . ?
C8 N13 1.386(12) . ?
C8 C9 1.442(12) . ?
C48 C49 1.394(13) . ?
C48 C42 1.492(12) . ?
N13 C12 1.416(12) . ?
N13 H13 0.8600 . ?
C23 C28 1.416(11) . ?
C23 C17 1.487(11) . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C25 C26 1.384(13) . ?
C25 H25 0.9300 . ?
C9 C14 1.434(13) . ?
C50 C49 1.367(14) . ?
C50 H50 0.9300 . ?
C49 H49 0.9300 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C28 C27 1.378(13) . ?
C28 H28 0.9300 . ?
C38 C33 1.431(12) . ?
C35 C36 1.416(13) . ?
C35 H35 0.9300 . ?
C14 H14 0.9300 . ?
C52 H52 0.9300 . ?
C27 C26 1.407(13) . ?
C27 H27 0.9300 . ?
C26 H26 0.9300 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
O75 C76 1.38(2) . ?
O75 H75 0.8200 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C76 H76A 0.9600 . ?
C76 H76B 0.9600 . ?
C76 H76C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O5 Dy4 O19 153.8(2) . . ?
O5 Dy4 O61 105.8(2) . . ?
O19 Dy4 O61 86.2(2) . . ?
O5 Dy4 O54 73.6(2) . 2_666 ?
O19 Dy4 O54 90.1(2) . 2_666 ?
O61 Dy4 O54 169.2(2) . 2_666 ?
O5 Dy4 O30 76.8(2) . . ?
O19 Dy4 O30 85.0(2) . . ?
O61 Dy4 O30 73.2(2) . . ?
O54 Dy4 O30 96.3(2) 2_666 . ?
O5 Dy4 O18 70.7(2) . . ?
O19 Dy4 O18 134.6(2) . . ?
O61 Dy4 O18 84.1(2) . . ?
O54 Dy4 O18 105.6(2) 2_666 . ?
O30 Dy4 O18 133.1(2) . . ?
O5 Dy4 N15 128.5(2) . . ?
O19 Dy4 N15 72.1(2) . . ?
O61 Dy4 N15 93.6(2) . . ?
O54 Dy4 N15 95.0(2) 2_666 . ?
O30 Dy4 N15 154.4(2) . . ?
O18 Dy4 N15 64.4(2) . . ?
O5 Dy4 Dy1 36.14(15) . 2_666 ?
O19 Dy4 Dy1 127.23(17) . 2_666 ?
O61 Dy4 Dy1 141.94(16) . 2_666 ?
O54 Dy4 Dy1 38.14(15) 2_666 2_666 ?
O30 Dy4 Dy1 90.48(14) . 2_666 ?
O18 Dy4 Dy1 82.82(14) . 2_666 ?
N15 Dy4 Dy1 112.25(17) . 2_666 ?
O5 Dy1 O5 75.7(2) . 2_666 ?
O5 Dy1 O54 124.8(2) . . ?
O5 Dy1 O54 72.4(2) 2_666 . ?
O5 Dy1 O29 119.5(2) . . ?
O5 Dy1 O29 73.1(2) 2_666 . ?
O54 Dy1 O29 92.5(2) . . ?
O5 Dy1 O43 70.8(2) . . ?
O5 Dy1 O43 98.6(2) 2_666 . ?
O54 Dy1 O43 70.9(2) . . ?
O29 Dy1 O43 163.2(2) . . ?
O5 Dy1 O63 146.3(2) . . ?
O5 Dy1 O63 137.8(2) 2_666 . ?
O54 Dy1 O63 78.8(2) . . ?
O29 Dy1 O63 78.1(2) . . ?
O43 Dy1 O63 100.4(2) . . ?
O5 Dy1 O32 80.4(2) . . ?
O5 Dy1 O32 156.2(2) 2_666 . ?
O54 Dy1 O32 123.1(2) . . ?
O29 Dy1 O32 120.1(2) . . ?
O43 Dy1 O32 73.2(2) . . ?
O63 Dy1 O32 66.0(2) . . ?
O5 Dy1 O18 68.6(2) . . ?
O5 Dy1 O18 100.31(19) 2_666 . ?
O54 Dy1 O18 160.3(2) . . ?
O29 Dy1 O18 67.82(19) . . ?
O43 Dy1 O18 128.76(19) . . ?
O63 Dy1 O18 96.5(2) . . ?
O32 Dy1 O18 70.5(2) . . ?
O5 Dy1 Dy1 38.17(15) . 2_666 ?
O5 Dy1 Dy1 37.56(14) 2_666 2_666 ?
O54 Dy1 Dy1 99.54(15) . 2_666 ?
O29 Dy1 Dy1 97.13(15) . 2_666 ?
O43 Dy1 Dy1 83.60(15) . 2_666 ?
O63 Dy1 Dy1 174.86(15) . 2_666 ?
O32 Dy1 Dy1 118.62(15) . 2_666 ?
O18 Dy1 Dy1 83.40(14) . 2_666 ?
O5 Dy1 Dy4 97.19(15) . 2_666 ?
O5 Dy1 Dy4 35.45(14) 2_666 2_666 ?
O54 Dy1 Dy4 37.56(15) . 2_666 ?
O29 Dy1 Dy4 85.75(14) . 2_666 ?
O43 Dy1 Dy4 79.50(14) . 2_666 ?
O63 Dy1 Dy4 113.45(16) . 2_666 ?
O32 Dy1 Dy4 151.81(14) . 2_666 ?
O18 Dy1 Dy4 135.04(14) . 2_666 ?
Dy1 Dy1 Dy4 63.851(15) 2_666 2_666 ?
O5 Dy1 Dy2 94.32(14) . 2_666 ?
O5 Dy1 Dy2 35.76(14) 2_666 2_666 ?
O54 Dy1 Dy2 85.08(15) . 2_666 ?
O29 Dy1 Dy2 37.88(14) . 2_666 ?
O43 Dy1 Dy2 134.09(14) . 2_666 ?
O63 Dy1 Dy2 112.95(15) . 2_666 ?
O32 Dy1 Dy2 148.95(14) . 2_666 ?
O18 Dy1 Dy2 79.10(13) . 2_666 ?
Dy1 Dy1 Dy2 61.962(15) 2_666 2_666 ?
Dy4 Dy1 Dy2 58.985(12) 2_666 2_666 ?
O61 Dy3 O6 86.0(2) . . ?
O61 Dy3 O55 147.3(2) . . ?
O6 Dy3 O55 79.7(2) . . ?
O61 Dy3 O65 80.9(2) . . ?
O6 Dy3 O65 143.6(2) . . ?
O55 Dy3 O65 93.6(2) . . ?
O61 Dy3 O30 72.4(2) . . ?
O6 Dy3 O30 69.7(2) . . ?
O55 Dy3 O30 75.2(2) . . ?
O65 Dy3 O30 74.1(2) . . ?
O61 Dy3 O68 85.1(2) . . ?
O6 Dy3 O68 140.1(2) . . ?
O55 Dy3 O68 124.0(2) . . ?
O65 Dy3 O68 72.4(2) . . ?
O30 Dy3 O68 142.0(2) . . ?
O61 Dy3 O60 125.4(2) . . ?
O6 Dy3 O60 79.0(2) . . ?
O55 Dy3 O60 80.5(2) . . ?
O65 Dy3 O60 135.5(2) . . ?
O30 Dy3 O60 143.0(2) . . ?
O68 Dy3 O60 75.0(2) . . ?
O61 Dy3 O57 74.6(2) . . ?
O6 Dy3 O57 71.9(2) . . ?
O55 Dy3 O57 126.7(2) . . ?
O65 Dy3 O57 134.8(2) . . ?
O30 Dy3 O57 130.3(2) . . ?
O68 Dy3 O57 68.3(2) . . ?
O60 Dy3 O57 50.9(2) . . ?
O61 Dy3 O69 131.5(2) . . ?
O6 Dy3 O69 140.1(2) . . ?
O55 Dy3 O69 73.1(2) . . ?
O65 Dy3 O69 67.8(2) . . ?
O30 Dy3 O69 127.8(2) . . ?
O68 Dy3 O69 51.2(2) . . ?
O60 Dy3 O69 68.3(2) . . ?
O57 Dy3 O69 102.0(2) . . ?
O44 Dy2 O5 152.6(2) . . ?
O44 Dy2 O6 87.1(2) . . ?
O5 Dy2 O6 100.0(2) . . ?
O44 Dy2 O29 93.4(2) . 2_666 ?
O5 Dy2 O29 74.2(2) . 2_666 ?
O6 Dy2 O29 167.6(2) . 2_666 ?
O44 Dy2 O43 135.8(2) . . ?
O5 Dy2 O43 71.6(2) . . ?
O6 Dy2 O43 84.5(2) . . ?
O29 Dy2 O43 103.5(2) 2_666 . ?
O44 Dy2 O30 81.2(2) . . ?
O5 Dy2 O30 76.2(2) . . ?
O6 Dy2 O30 71.0(2) . . ?
O29 Dy2 O30 96.8(2) 2_666 . ?
O43 Dy2 O30 135.1(2) . . ?
O44 Dy2 N40 74.1(2) . . ?
O5 Dy2 N40 129.2(2) . . ?
O6 Dy2 N40 101.0(2) . . ?
O29 Dy2 N40 91.1(2) 2_666 . ?
O43 Dy2 N40 65.1(2) . . ?
O30 Dy2 N40 154.5(2) . . ?
O44 Dy2 Dy1 130.02(17) . 2_666 ?
O5 Dy2 Dy1 36.06(15) . 2_666 ?
O6 Dy2 Dy1 136.01(16) . 2_666 ?
O29 Dy2 Dy1 38.68(15) 2_666 2_666 ?
O43 Dy2 Dy1 82.01(15) . 2_666 ?
O30 Dy2 Dy1 90.06(14) . 2_666 ?
N40 Dy2 Dy1 110.63(17) . 2_666 ?
Dy4 O5 Dy1 117.1(3) . . ?
Dy4 O5 Dy2 106.8(2) . . ?
Dy1 O5 Dy2 111.8(2) . . ?
Dy4 O5 Dy1 108.4(2) . 2_666 ?
Dy1 O5 Dy1 104.3(2) . 2_666 ?
Dy2 O5 Dy1 108.2(2) . 2_666 ?
C7 O6 Dy2 111.9(5) . . ?
C7 O6 Dy3 125.7(5) . . ?
Dy2 O6 Dy3 111.6(3) . . ?
C24 O29 Dy2 119.9(5) . 2_666 ?
C24 O29 Dy1 129.7(5) . . ?
Dy2 O29 Dy1 103.4(2) 2_666 . ?
C31 O30 Dy4 112.3(5) . . ?
C31 O30 Dy2 111.9(5) . . ?
Dy4 O30 Dy2 99.5(2) . . ?
C31 O30 Dy3 120.8(5) . . ?
Dy4 O30 Dy3 103.2(2) . . ?
Dy2 O30 Dy3 106.7(2) . . ?
Dy1 O32 H32A 122(4) . . ?
Dy1 O32 H32B 121(4) . . ?
H32A O32 H32B 104(5) . . ?
C53 O54 Dy4 121.2(5) . 2_666 ?
C53 O54 Dy1 126.7(5) . . ?
Dy4 O54 Dy1 104.3(2) 2_666 . ?
C38 O44 Dy2 138.1(5) . . ?
C56 O55 Dy3 132.0(7) . . ?
C56 O55 H55 106.4(19) . . ?
Dy3 O55 H55 118.1(18) . . ?
C17 O18 Dy4 121.1(5) . . ?
C17 O18 Dy1 134.1(5) . . ?
Dy4 O18 Dy1 101.4(2) . . ?
N58 O57 Dy3 93.9(6) . . ?
C62 O61 Dy3 123.8(5) . . ?
C62 O61 Dy4 118.7(5) . . ?
Dy3 O61 Dy4 110.8(3) . . ?
C64 O63 Dy1 129.8(5) . . ?
C64 O63 H63 107.8(18) . . ?
Dy1 O63 H63 120.1(18) . . ?
Dy3 O65 H65A 124(4) . . ?
Dy3 O65 H65B 123(4) . . ?
H65A O65 H65B 108(5) . . ?
C8 O19 Dy4 139.6(5) . . ?
C42 O43 Dy2 120.7(5) . . ?
C42 O43 Dy1 132.7(5) . . ?
Dy2 O43 Dy1 103.7(2) . . ?
C17 N16 N15 114.4(7) . . ?
C17 N16 H16 122.8 . . ?
N15 N16 H16 122.8 . . ?
N67 O69 Dy3 94.2(5) . . ?
C39 N40 N41 111.9(7) . . ?
C39 N40 Dy2 129.1(6) . . ?
N41 N40 Dy2 118.9(5) . . ?
C42 N41 N40 112.8(7) . . ?
C42 N41 H41 123.6 . . ?
N40 N41 H41 123.6 . . ?
N58 O60 Dy3 97.0(5) . . ?
N67 O68 Dy3 98.4(5) . . ?
C14 N15 N16 112.3(7) . . ?
C14 N15 Dy4 130.0(6) . . ?
N16 N15 Dy4 117.2(5) . . ?
C71 O70 H70 111.1 . . ?
O29 C24 C23 122.2(8) . . ?
O29 C24 C25 119.8(8) . . ?
C23 C24 C25 117.8(8) . . ?
O66 N67 O68 122.5(9) . . ?
O66 N67 O69 121.3(9) . . ?
O68 N67 O69 116.2(7) . . ?
C12 N20 C22 121.8(8) . . ?
C12 N20 C21 120.7(8) . . ?
C22 N20 C21 117.5(8) . . ?
O59 N58 O60 121.0(9) . . ?
O59 N58 O57 120.7(9) . . ?
O60 N58 O57 118.2(8) . . ?
C36 N45 C46 120.1(8) . . ?
C36 N45 C47 118.4(9) . . ?
C46 N45 C47 119.1(9) . . ?
C52 C51 C50 119.6(9) . . ?
C52 C51 H51 120.2 . . ?
C50 C51 H51 120.2 . . ?
C73 O72 H72 109.5 . . ?
N45 C47 H47A 109.5 . . ?
N45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
N45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O6 C7 H7A 109.5 . . ?
O6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C33 C34 C35 122.1(9) . . ?
C33 C34 H34 119.0 . . ?
C35 C34 H34 119.0 . . ?
O61 C62 H62A 109.5 . . ?
O61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
O61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N20 C22 H22A 109.5 . . ?
N20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N40 C39 C33 127.8(8) . . ?
N40 C39 H39 116.1 . . ?
C33 C39 H39 116.1 . . ?
C38 C37 C36 121.5(8) . . ?
C38 C37 H37 119.2 . . ?
C36 C37 H37 119.2 . . ?
C11 C10 C9 123.1(9) . . ?
C11 C10 H10 118.5 . . ?
C9 C10 H10 118.5 . . ?
O54 C53 C52 122.1(8) . . ?
O54 C53 C48 119.5(8) . . ?
C52 C53 C48 118.2(8) . . ?
H74A O74 H74B 100.2 . . ?
C10 C11 C12 119.7(9) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
O19 C8 N13 120.3(8) . . ?
O19 C8 C9 120.4(8) . . ?
N13 C8 C9 119.3(8) . . ?
C49 C48 C53 119.6(8) . . ?
C49 C48 C42 120.4(8) . . ?
C53 C48 C42 120.0(8) . . ?
C8 N13 C12 122.3(8) . . ?
C8 N13 H13 118.9 . . ?
C12 N13 H13 118.9 . . ?
C24 C23 C28 120.5(8) . . ?
C24 C23 C17 119.2(7) . . ?
C28 C23 C17 120.1(8) . . ?
O18 C17 N16 122.7(8) . . ?
O18 C17 C23 120.9(8) . . ?
N16 C17 C23 116.4(7) . . ?
N20 C12 N13 120.2(9) . . ?
N20 C12 C11 121.9(8) . . ?
N13 C12 C11 117.9(9) . . ?
O63 C64 H64A 109.5 . . ?
O63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
O63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C26 C25 C24 121.3(8) . . ?
C26 C25 H25 119.4 . . ?
C24 C25 H25 119.4 . . ?
C10 C9 C14 118.6(8) . . ?
C10 C9 C8 117.6(9) . . ?
C14 C9 C8 123.8(8) . . ?
C49 C50 C51 118.9(9) . . ?
C49 C50 H50 120.6 . . ?
C51 C50 H50 120.6 . . ?
C50 C49 C48 121.7(9) . . ?
C50 C49 H49 119.2 . . ?
C48 C49 H49 119.2 . . ?
N20 C21 H21A 109.5 . . ?
N20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C27 C28 C23 120.7(8) . . ?
C27 C28 H28 119.7 . . ?
C23 C28 H28 119.7 . . ?
O44 C38 C37 119.4(8) . . ?
O44 C38 C33 121.7(8) . . ?
C37 C38 C33 118.9(8) . . ?
C34 C35 C36 119.3(8) . . ?
C34 C35 H35 120.4 . . ?
C36 C35 H35 120.4 . . ?
N15 C14 C9 126.6(8) . . ?
N15 C14 H14 116.7 . . ?
C9 C14 H14 116.7 . . ?
C53 C52 C51 121.9(8) . . ?
C53 C52 H52 119.0 . . ?
C51 C52 H52 119.0 . . ?
C28 C27 C26 119.5(8) . . ?
C28 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
C25 C26 C27 120.2(9) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
N45 C36 C37 120.3(8) . . ?
N45 C36 C35 121.0(8) . . ?
C37 C36 C35 118.7(8) . . ?
N45 C46 H46A 109.5 . . ?
N45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
N45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
N41 C42 O43 122.5(8) . . ?
N41 C42 C48 117.1(8) . . ?
O43 C42 C48 120.3(7) . . ?
O72 C73 H73A 109.5 . . ?
O72 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
O72 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C34 C33 C38 119.5(9) . . ?
C34 C33 C39 117.4(8) . . ?
C38 C33 C39 123.1(8) . . ?
C76 O75 H75 109.5 . . ?
O70 C71 H71A 109.5 . . ?
O70 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
O70 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
O30 C31 H31A 109.5 . . ?
O30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
O30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O55 C56 H56A 109.5 . . ?
O55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
O55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
O75 C76 H76A 109.5 . . ?
O75 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
O75 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C39 N40 N41 C42 179.2(8) . . . . ?
Dy2 N40 N41 C42 2.0(9) . . . . ?
C17 N16 N15 C14 -174.6(8) . . . . ?
C17 N16 N15 Dy4 -1.9(9) . . . . ?
Dy2 O29 C24 C23 92.3(9) 2_666 . . . ?
Dy1 O29 C24 C23 -53.5(11) . . . . ?
Dy2 O29 C24 C25 -83.6(9) 2_666 . . . ?
Dy1 O29 C24 C25 130.7(7) . . . . ?
Dy3 O68 N67 O66 -179.6(8) . . . . ?
Dy3 O68 N67 O69 0.1(8) . . . . ?
Dy3 O69 N67 O66 179.6(8) . . . . ?
Dy3 O69 N67 O68 -0.1(8) . . . . ?
Dy3 O60 N58 O59 -175.5(8) . . . . ?
Dy3 O60 N58 O57 1.8(9) . . . . ?
Dy3 O57 N58 O59 175.6(8) . . . . ?
Dy3 O57 N58 O60 -1.7(8) . . . . ?
N41 N40 C39 C33 173.9(9) . . . . ?
Dy2 N40 C39 C33 -9.2(14) . . . . ?
Dy4 O54 C53 C52 87.6(9) 2_666 . . . ?
Dy1 O54 C53 C52 -128.3(7) . . . . ?
Dy4 O54 C53 C48 -87.0(8) 2_666 . . . ?
Dy1 O54 C53 C48 57.1(10) . . . . ?
C9 C10 C11 C12 1.7(14) . . . . ?
Dy4 O19 C8 N13 150.3(7) . . . . ?
Dy4 O19 C8 C9 -29.0(13) . . . . ?
O54 C53 C48 C49 176.9(7) . . . . ?
C52 C53 C48 C49 2.1(12) . . . . ?
O54 C53 C48 C42 -2.0(11) . . . . ?
C52 C53 C48 C42 -176.8(8) . . . . ?
O19 C8 N13 C12 -175.8(8) . . . . ?
C9 C8 N13 C12 3.5(13) . . . . ?
O29 C24 C23 C28 -175.8(8) . . . . ?
C25 C24 C23 C28 0.1(13) . . . . ?
O29 C24 C23 C17 -1.1(13) . . . . ?
C25 C24 C23 C17 174.8(8) . . . . ?
Dy4 O18 C17 N16 2.3(11) . . . . ?
Dy1 O18 C17 N16 157.4(6) . . . . ?
Dy4 O18 C17 C23 -177.9(6) . . . . ?
Dy1 O18 C17 C23 -22.8(12) . . . . ?
N15 N16 C17 O18 -0.2(12) . . . . ?
N15 N16 C17 C23 180.0(7) . . . . ?
C24 C23 C17 O18 36.9(12) . . . . ?
C28 C23 C17 O18 -148.4(8) . . . . ?
C24 C23 C17 N16 -143.2(8) . . . . ?
C28 C23 C17 N16 31.5(12) . . . . ?
C22 N20 C12 N13 6.6(13) . . . . ?
C21 N20 C12 N13 -171.5(8) . . . . ?
C22 N20 C12 C11 -172.8(8) . . . . ?
C21 N20 C12 C11 9.1(13) . . . . ?
C8 N13 C12 N20 177.4(8) . . . . ?
C8 N13 C12 C11 -3.3(12) . . . . ?
C10 C11 C12 N20 -180.0(8) . . . . ?
C10 C11 C12 N13 0.6(13) . . . . ?
O29 C24 C25 C26 174.5(8) . . . . ?
C23 C24 C25 C26 -1.5(13) . . . . ?
C11 C10 C9 C14 178.0(9) . . . . ?
C11 C10 C9 C8 -1.5(13) . . . . ?
O19 C8 C9 C10 178.2(8) . . . . ?
N13 C8 C9 C10 -1.1(12) . . . . ?
O19 C8 C9 C14 -1.3(13) . . . . ?
N13 C8 C9 C14 179.4(8) . . . . ?
C52 C51 C50 C49 1.2(13) . . . . ?
C51 C50 C49 C48 -1.4(13) . . . . ?
C53 C48 C49 C50 -0.3(13) . . . . ?
C42 C48 C49 C50 178.6(8) . . . . ?
C24 C23 C28 C27 0.3(14) . . . . ?
C17 C23 C28 C27 -174.4(8) . . . . ?
Dy2 O44 C38 C37 -157.4(7) . . . . ?
Dy2 O44 C38 C33 22.5(14) . . . . ?
C36 C37 C38 O44 -179.2(8) . . . . ?
C36 C37 C38 C33 0.9(14) . . . . ?
C33 C34 C35 C36 -1.2(16) . . . . ?
N16 N15 C14 C9 -179.3(8) . . . . ?
Dy4 N15 C14 C9 9.2(14) . . . . ?
C10 C9 C14 N15 -171.5(9) . . . . ?
C8 C9 C14 N15 8.0(15) . . . . ?
O54 C53 C52 C51 -176.9(8) . . . . ?
C48 C53 C52 C51 -2.2(13) . . . . ?
C50 C51 C52 C53 0.6(13) . . . . ?
C23 C28 C27 C26 0.7(14) . . . . ?
C24 C25 C26 C27 2.4(15) . . . . ?
C28 C27 C26 C25 -2.0(15) . . . . ?
C46 N45 C36 C37 -12.2(16) . . . . ?
C47 N45 C36 C37 -174.3(9) . . . . ?
C46 N45 C36 C35 170.0(10) . . . . ?
C47 N45 C36 C35 8.0(16) . . . . ?
C38 C37 C36 N45 178.8(9) . . . . ?
C38 C37 C36 C35 -3.4(15) . . . . ?
C34 C35 C36 N45 -178.7(10) . . . . ?
C34 C35 C36 C37 3.6(15) . . . . ?
N40 N41 C42 O43 -1.2(12) . . . . ?
N40 N41 C42 C48 174.8(7) . . . . ?
Dy2 O43 C42 N41 -0.2(11) . . . . ?
Dy1 O43 C42 N41 -157.1(6) . . . . ?
Dy2 O43 C42 C48 -176.1(5) . . . . ?
Dy1 O43 C42 C48 27.0(11) . . . . ?
C49 C48 C42 N41 -33.8(11) . . . . ?
C53 C48 C42 N41 145.1(8) . . . . ?
C49 C48 C42 O43 142.3(8) . . . . ?
C53 C48 C42 O43 -38.8(11) . . . . ?
C35 C34 C33 C38 -1.4(15) . . . . ?
C35 C34 C33 C39 176.5(9) . . . . ?
O44 C38 C33 C34 -178.3(8) . . . . ?
C37 C38 C33 C34 1.6(14) . . . . ?
O44 C38 C33 C39 3.9(14) . . . . ?
C37 C38 C33 C39 -176.2(9) . . . . ?
N40 C39 C33 C34 173.7(9) . . . . ?
N40 C39 C33 C38 -8.5(16) . . . . ?

_refine_diff_density_max         7.725
_refine_diff_density_min         -4.473
_refine_diff_density_rms         0.415



####################################################################### 
# 
# 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_20221027-lfp-lyl-711-6-4_auto
_database_code_depnum_ccdc_archive 'CCDC 2217385'
loop_
_audit_author_name
_audit_author_address
'Zhong-Hong Zhu'
;Guangxi Normal University
China
;
_audit_update_record             
;
2022-11-04 deposited with the CCDC.	2022-11-28 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_DIFMN02_20221027-lfp-lyl-711-6-4_auto 
;
PROBLEM: ALERT_2_B The minimum difference density is < -0.1*ZMAX*1.00
 _refine_diff_density_min given = -11.699
 Test value = -6.600
RESPONSE:Poor crystals - many collected - best result presented.
;
_vrf_PLAT097_20221027-lfp-lyl-711-6-4_auto 
;
PROBLEM: ALERT_2_B Large Reported Max. (Positive) Residual Density 8.59 eA-3
RESPONSE: Poor crystals - many collected - best result presented.             
;
_vrf_PLAT098_20221027-lfp-lyl-711-6-4_auto 
;
PROBLEM: ALERT_2_B Large Reported Min. (Negative) Residual Density -11.70 eA-3
RESPONSE: Poor crystals - many collected - best result presented.             
;
_vrf_PLAT420_20221027-lfp-lyl-711-6-4_auto 
;
PROBLEM: ALERT_2_B D-H Bond Without Acceptor O24 --H24 . Please Check
ALERT_2_B D-H Bond Without Acceptor O60 --H60 . Please Check
RESPONSE: No acceptable             
;
# Added during the CSD deposition process: Thursday November 03 2022 23:45 PM
# end Validation Reply Form



_audit_creation_date             2022-11-03
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C84 H122 Dy8 N16 O40, 12(C H4 O)'
_chemical_formula_sum            'C92 H158.39 Dy8 N18 O52'
_chemical_formula_weight         3648.75
_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 0.0181 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'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   14.1647(4)
_cell_length_b                   14.3993(3)
_cell_length_c                   16.7338(4)
_cell_angle_alpha                82.531(2)
_cell_angle_beta                 75.268(2)
_cell_angle_gamma                82.046(2)
_cell_volume                     3253.05(14)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    25165
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      75.4940
_cell_measurement_theta_min      2.7360
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    24.866
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.22931
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.123a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.863
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1780
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0575
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            39484
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.960
_diffrn_reflns_theta_min         2.744
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -122.00 -16.00   0.50    4.50    --  -43.05 -23.00 -85.00  212
  2  ω    -29.00  37.00   0.50    4.50    --  -43.05  23.00  79.00  132
  3  ω     16.00 124.00   0.50    4.50    --   43.05  23.00  79.00  216
  4  ω   -171.00 -63.00   0.50   11.00    --  -90.25 -23.00 -85.00  216
  5  ω     82.00 178.00   0.50   11.00    --  109.26  23.00  79.00  192
  6  ω    -60.00 -21.00   0.50    4.50    --  -43.05  57.00  30.00   78
  7  ω    -41.00  33.00   0.50    4.50    --  -43.05  37.00 150.00  148
  8  ω    -19.00  28.00   0.50    4.50    --  -43.05  57.00  30.00   94
  9  ω    -27.00  37.00   0.50    4.50    --  -43.05  19.00 -90.00  128
 10  ω    -86.00 -41.00   0.50    4.50    --  -43.05 125.00-180.00   90
 11  ω     44.00  96.00   0.50    4.50    --   43.05-125.00-180.00  104
 12  ω    -28.00  -2.00   0.50    4.50    --   43.05 -23.00 -85.00   52
 13  ω    -49.00 -18.00   0.50   11.00    --  -90.25  45.00  60.00   62
 14  ω    -57.00 -23.00   0.50   11.00    --  -90.25  61.00 -90.00   68
 15  ω    -55.00 -16.00   0.50   11.00    --  -90.25  77.00-150.00   78
 16  ω   -106.00 -64.00   0.50   11.00    --  -90.25  77.00-150.00   84
 17  ω    -59.00 -27.00   0.50   11.00    --  -90.25  61.00  90.00   64
 18  ω    -65.00 -23.00   0.50   11.00    --  -90.25  61.00 -60.00   84
 19  ω     36.00  69.00   0.50   11.00    --  109.26-125.00 150.00   66
 20  ω     58.00  86.00   0.50   11.00    --  109.26-156.00 -48.11   56
 21  ω     40.00 104.00   0.50   11.00    --  109.26 -94.00  30.00  128
 22  ω     37.00  70.00   0.50   11.00    --  109.26 -61.00-180.00   66
 23  ω     75.00 167.00   0.50   11.00    --  109.26   0.00-120.00  184
 24  ω     33.00  64.00   0.50   11.00    --  109.26   0.00-120.00   62
 25  ω     57.00 100.00   0.50   11.00    --  109.26 -94.00 -60.00   86
 26  ω     87.00 159.00   0.50   11.00    --  109.26  45.00-180.00  144
 27  ω     71.00  99.00   0.50   11.00    --  109.26 -94.00 150.00   56
 28  ω     35.00  60.00   0.50   11.00    --  109.26 -61.00-120.00   50
 29  ω     35.00  60.00   0.50   11.00    --  109.26 -61.00  90.00   50
 30  ω     87.00 178.00   0.50   11.00    --  109.26  45.00 150.00  182
 31  ω     34.00 107.00   0.50   11.00    --  109.26-106.00  23.38  146
 32  ω     45.00  73.00   0.50   11.00    --  109.26 -94.00  60.00   56
 33  ω    115.00 143.00   0.50   11.00    --  109.26  77.00 -60.00   56
 34  ω     81.00 107.00   0.50   11.00    --  109.26-105.00-105.08   52
 35  ω     37.00 108.00   0.50   11.00    --  109.26-125.00 -30.00  142
 36  ω     37.00  84.00   0.50   11.00    --  109.26-125.00  30.00   94
 37  ω     43.00  69.00   0.50   11.00    --  109.26 -61.00 150.00   52
 38  ω     84.00 111.00   0.50   11.00    --  109.26  77.00 -60.00   54
 39  ω     97.00 177.00   0.50   11.00    --  109.26 125.00-150.00  160
 40  ω     41.00 104.00   0.50   11.00    --  109.26 -77.00 120.00  126
 41  ω     70.00 109.00   0.50   11.00    --  109.26-114.00-109.34   78
 42  ω     82.00 111.00   0.50   11.00    --  109.26-125.00 150.00   58
 43  ω     39.00  77.00   0.50   11.00    --  109.26-105.00-105.08   76
 44  ω     47.00  75.00   0.50   11.00    --  109.26-109.00 -15.62   56
 45  ω     77.00 107.00   0.50   11.00    --  109.26-109.00 -15.62   60
 46  ω     36.00  58.00   0.50   11.00    --  109.26 -61.00  60.00   44
;
_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      0.1109783000
_diffrn_orient_matrix_UB_12      -0.0301949000
_diffrn_orient_matrix_UB_13      -0.0289944000
_diffrn_orient_matrix_UB_21      0.0210489000
_diffrn_orient_matrix_UB_22      0.1019069000
_diffrn_orient_matrix_UB_23      0.0010977000
_diffrn_orient_matrix_UB_31      0.0064727000
_diffrn_orient_matrix_UB_32      -0.0221068000
_diffrn_orient_matrix_UB_33      0.0911555000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11961
_reflns_number_total             13042
_reflns_odcompleteness_completeness 99.84
_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.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         8.593
_refine_diff_density_min         -11.699
_refine_diff_density_rms         0.432
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     807
_refine_ls_number_reflns         13042
_refine_ls_number_restraints     3166
_refine_ls_R_factor_all          0.1075
_refine_ls_R_factor_gt           0.1024
_refine_ls_restrained_S_all      1.028
_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)+(0.1783P)²+106.7234P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2773
_refine_ls_wR_factor_ref         0.2811
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O12-H12
 0.87 with sigma of 0.01
 O9-H9
 0.87 with sigma of 0.01
 O13-H13
 0.87 with sigma of 0.01
 H25-H60
 2.1 with sigma of 0.1
 C83-H9
 1.914743 with sigma of 0.02
 C23-H12
 1.917792 with sigma of 0.02
 Dy3-H12
 2.855657 with sigma of 0.02
 Dy1-H9
 2.926511 with sigma of 0.02
 C25-H13
 1.895994 with sigma of 0.02
 Dy3-H13
 2.94855 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
O60 \\sim O25 \\sim O24 \\sim O23 \\sim O21 \\sim O22: within 6.8A with sigma
of 0.01 and sigma for terminal atoms of 0.02 within 6.8A
O8 \\sim O11 \\sim O6 \\sim O4 \\sim O10 \\sim O3 \\sim O1 \\sim O12 \\sim O20
\\sim O5 \\sim O14 \\sim O7 \\sim O2 \\sim O9 \\sim O13 \\sim O18 \\sim O17
\\sim O15 \\sim O25 \\sim O19 \\sim O60 \\sim O22 \\sim O16 \\sim O21 \\sim O23
\\sim O24: within 6.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 6.8A
C35 \\sim C75 \\sim C41 \\sim C37 \\sim C84 \\sim C71 \\sim C53 \\sim C39 \\sim
C27 \\sim C19 \\sim C9 \\sim C73 \\sim C5 \\sim C77 \\sim C81 \\sim C12 \\sim
C20 \\sim C14 \\sim C36 \\sim C16 \\sim C26 \\sim C28 \\sim C32 \\sim C24 \\sim
C34 \\sim C30 \\sim C18 \\sim C38 \\sim C22 \\sim C40 \\sim C42 \\sim C51 \\sim
C83 \\sim C45 \\sim C13 \\sim C21 \\sim C80 \\sim C3 \\sim C76 \\sim C49 \\sim
C82 \\sim C25 \\sim C43 \\sim C11 \\sim C23 \\sim C74 \\sim C8 \\sim C1: within
6.1A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 6.1A
Uanis(C35) \\sim Ueq, Uanis(C75) \\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C37)
\\sim Ueq, Uanis(C84) \\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C53) \\sim Ueq,
Uanis(C39) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C9)
\\sim Ueq, Uanis(C73) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C77) \\sim Ueq,
Uanis(C81) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C14)
\\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C26) \\sim Ueq,
Uanis(C28) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C34)
\\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C38) \\sim Ueq,
Uanis(C22) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C42) \\sim Ueq, Uanis(C51)
\\sim Ueq, Uanis(C83) \\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(C13) \\sim Ueq,
Uanis(C21) \\sim Ueq, Uanis(C80) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C76)
\\sim Ueq, Uanis(C49) \\sim Ueq, Uanis(C82) \\sim Ueq, Uanis(C25) \\sim Ueq,
Uanis(C43) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C74)
\\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(Dy1) \\sim Ueq, Uanis(Dy2) \\sim Ueq, Uanis(Dy4) \\sim Ueq, Uanis(Dy3)
\\sim Ueq: with sigma of 0.00001 and sigma for terminal atoms of 0.00002
Uanis(O1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(N2) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O13) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O8) \\sim Ueq: with sigma of 0.0001 and sigma for terminal atoms of 0.0002
Uanis(N4) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O9) \\sim Ueq: with sigma of 0.0068 and sigma for terminal atoms of 0.0136
Uanis(C1) \\sim Ueq, Uanis(O24) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O12) \\sim Ueq, Uanis(O16) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O24) \\sim Ueq: with sigma of 0.0001 and sigma for terminal atoms of
0.0002
Uanis(N5) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
4.a Rotating group:
 O10(H10A,H10B)
4.b Secondary CH2 refined with riding coordinates:
 C28(H28A,H28B), C24(H24A,H24B), C22(H22A,H22B), C13(H13A,H13B)
4.c Aromatic/amide H refined with riding coordinates:
 N3(H3), N4(H4), C35(H35), C75(H75), C84(H84), C27(H27), C5(H5), C77(H77),
 C81(H81), C20(H20), C14(H14), C36(H36), C16(H16), C32(H32), C30(H30), C40(H40),
  C51(H51), C45(H45)
4.d Idealised Me refined as rotating group:
 C38(H38A,H38B,H38C), C42(H42A,H42B,H42C), C83(H83A,H83B,H83C), C21(H21A,H21B,
 H21C), C80(H80A,H80B,H80C), C3(H3A,H3B,H3C), C76(H76A,H76B,H76C), C49(H49A,
 H49B,H49C), C82(H82A,H82B,H82C), C25(H25A,H25B,H25C), C43(H43A,H43B,H43C),
 C11(H11A,H11B,H11C), C23(H23A,H23B,H23C), C74(H74A,H74B,H74C), C8(H8A,H8B,H8C),
  C1(H1A,H1B,H1C)
4.e Idealised tetrahedral OH refined as rotating group:
 O25(H25), O60(H60), O22(H22), O21(H21), O23(H23), O24(H24)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.54530(4) 0.55784(4) 0.56859(4) 0.00563(18) Uani 1 1 d D U . . .
Dy2 Dy 0.44062(4) 0.70015(4) 0.39682(4) 0.00605(18) Uani 1 1 d . U . . .
Dy4 Dy 0.67881(4) 0.56194(4) 0.34226(4) 0.00647(18) Uani 1 1 d . U . . .
Dy3 Dy 0.66490(4) 0.82538(4) 0.28122(4) 0.00895(19) Uani 1 1 d D U . . .
O8 O 0.5317(6) 0.5711(6) 0.4367(5) 0.0103(10) Uani 1 1 d . U . . .
O11 O 0.5359(6) 0.8154(6) 0.4011(5) 0.0125(11) Uani 1 1 d . U . . .
O6 O 0.3734(6) 0.7994(6) 0.3060(6) 0.0146(12) Uani 1 1 d . U . . .
O4 O 0.4053(6) 0.5546(6) 0.6820(5) 0.0115(13) Uani 1 1 d . U . . .
O10 O 0.6203(6) 0.7074(6) 0.5163(6) 0.0140(14) Uani 1 1 d . U . . .
H10A H 0.5822 0.7457 0.4902 0.021 Uiso 1 1 d R U . . .
H10B H 0.6745 0.6963 0.4782 0.021 Uiso 1 1 d R U . . .
O3 O 0.6273(6) 0.4250(6) 0.6286(5) 0.0116(13) Uani 1 1 d . U . . .
O1 O 0.7682(6) 0.5577(6) 0.2100(6) 0.0147(12) Uani 1 1 d . U . . .
O12 O 0.5257(6) 0.8906(6) 0.2284(6) 0.0168(12) Uani 1 1 d D U . . .
H12 H 0.4701(12) 0.876(7) 0.261(5) 0.025 Uiso 1 1 d D U . . .
O20 O 0.7209(6) 0.8847(6) 0.3974(6) 0.0160(12) Uani 1 1 d . U . . .
O5 O 0.4136(6) 0.6851(6) 0.5448(5) 0.0132(12) Uani 1 1 d . U . . .
O14 O 0.7424(6) 0.7006(6) 0.3417(6) 0.0136(12) Uani 1 1 d . U . . .
O7 O 0.5801(6) 0.6892(6) 0.2845(5) 0.0129(12) Uani 1 1 d . U . . .
O2 O 0.7047(6) 0.5203(6) 0.4771(5) 0.0133(12) Uani 1 1 d . U . . .
O9 O 0.5998(6) 0.6215(6) 0.6727(6) 0.0153(13) Uani 1 1 d D U . . .
H9 H 0.615(10) 0.679(4) 0.662(3) 0.023 Uiso 1 1 d D U . . .
O13 O 0.7517(6) 0.7405(6) 0.1614(6) 0.0170(12) Uani 1 1 d D U . . .
H13 H 0.782(10) 0.685(5) 0.1717(14) 0.025 Uiso 1 1 d D U . . .
O18 O 0.6505(6) 0.9892(6) 0.3198(6) 0.0176(13) Uani 1 1 d . U . . .
O17 O 0.8277(6) 0.8895(6) 0.2267(6) 0.0182(13) Uani 1 1 d . U . . .
O15 O 0.7173(6) 0.9376(6) 0.1587(6) 0.0177(13) Uani 1 1 d . U . . .
O25 O 0.9328(7) 0.1807(7) 0.3559(7) 0.027(2) Uani 1 1 d . U . . .
H25 H 0.9681 0.2087 0.3762 0.040 Uiso 1 1 calc DR U . . .
N3 N 0.8539(7) 0.4332(7) 0.4263(6) 0.0088(19) Uani 1 1 d . . . . .
H3 H 0.9083 0.3990 0.4333 0.011 Uiso 1 1 calc R U . . .
N2 N 0.8314(7) 0.4600(7) 0.3479(6) 0.0107(19) Uani 1 1 d . U . . .
N5 N 0.2775(7) 0.7665(7) 0.4724(6) 0.0101(19) Uani 1 1 d . U . . .
O19 O 0.7118(8) 1.0335(7) 0.4146(6) 0.0259(18) Uani 1 1 d . U . . .
O60 O 1.0101(7) 0.2905(7) 0.4315(7) 0.027(2) Uani 1 1 d . U . . .
H60 H 0.9985 0.2595 0.4784 0.041 Uiso 1 1 calc DR U . . .
O22 O 0.6152(7) 0.7997(7) 0.6856(7) 0.0253(18) Uani 1 1 d . U . . .
H22 H 0.6546 0.8247 0.6448 0.038 Uiso 1 1 calc R U . . .
N4 N 0.2589(7) 0.7556(7) 0.5588(6) 0.0099(19) Uani 1 1 d . U . . .
H4 H 0.2008 0.7746 0.5895 0.012 Uiso 1 1 calc R U . . .
O16 O 0.8583(7) 0.9921(7) 0.1177(7) 0.0272(19) Uani 1 1 d . U . . .
N1 N 0.9035(8) 0.4312(7) -0.0506(7) 0.015(2) Uani 1 1 d . . . . .
O21 O 0.7425(8) 0.8848(7) 0.5637(7) 0.0296(19) Uani 1 1 d . U . . .
H21 H 0.7498 0.8885 0.5120 0.044 Uiso 1 1 calc R U . . .
N7 N 0.6948(8) 0.9711(7) 0.3781(7) 0.017(2) Uani 1 1 d . . . . .
N6 N 0.1774(8) 0.9402(8) 0.1202(7) 0.019(2) Uani 1 1 d . . . . .
N8 N 0.8032(8) 0.9407(8) 0.1672(7) 0.018(2) Uani 1 1 d . . . . .
C35 C 0.8381(9) 0.4969(9) 0.0813(8) 0.0173(16) Uani 1 1 d . U . . .
H35 H 0.7967 0.5431 0.0565 0.021 Uiso 1 1 calc R U . . .
C75 C 0.2001(9) 0.7962(9) 0.4438(8) 0.0159(15) Uani 1 1 d . U . . .
H75 H 0.1385 0.7990 0.4833 0.019 Uiso 1 1 calc R U . . .
C41 C 0.8321(9) 0.4955(9) 0.1661(9) 0.0172(15) Uani 1 1 d . U . . .
C37 C 0.7184(8) 0.4191(8) 0.6389(8) 0.0127(15) Uani 1 1 d . U . . .
C84 C 0.7362(8) 0.3870(8) 0.7172(8) 0.0128(16) Uani 1 1 d . U . . .
H84 H 0.6832 0.3706 0.7622 0.015 Uiso 1 1 calc R U . . .
C71 C 0.9033(9) 0.4324(9) 0.0311(9) 0.0169(16) Uani 1 1 d . U . . .
C53 C 0.7995(8) 0.4408(8) 0.5721(8) 0.0132(16) Uani 1 1 d . U . . .
C39 C 0.3603(8) 0.6283(9) 0.7226(8) 0.0132(15) Uani 1 1 d . U . . .
C27 C 0.1062(9) 0.8536(9) 0.3408(8) 0.0170(16) Uani 1 1 d . U . . .
H27 H 0.0479 0.8478 0.3835 0.020 Uiso 1 1 calc R U . . .
C19 C 0.7835(8) 0.4658(9) 0.4872(8) 0.0129(15) Uani 1 1 d . U . . .
C9 C 0.2843(9) 0.8290(9) 0.2929(8) 0.0159(15) Uani 1 1 d . U . . .
C73 C 0.3170(8) 0.7110(8) 0.6822(8) 0.0132(16) Uani 1 1 d . U . . .
C5 C 0.8308(9) 0.3790(9) 0.7296(8) 0.0160(17) Uani 1 1 d . U . . .
H5 H 0.8418 0.3570 0.7829 0.019 Uiso 1 1 calc R U . . .
C77 C 0.9678(9) 0.3670(9) 0.0682(9) 0.0184(16) Uani 1 1 d . U . . .
H77 H 1.0145 0.3242 0.0358 0.022 Uiso 1 1 calc R U . . .
C81 C 0.3456(9) 0.6249(9) 0.8099(8) 0.0147(16) Uani 1 1 d . U . . .
H81 H 0.3713 0.5705 0.8394 0.018 Uiso 1 1 calc R U . . .
C12 C 0.3276(9) 0.7176(9) 0.5921(8) 0.0134(15) Uani 1 1 d . U . . .
C20 C 0.8937(9) 0.4319(9) 0.5867(8) 0.0143(16) Uani 1 1 d . U . . .
H20 H 0.9478 0.4461 0.5419 0.017 Uiso 1 1 calc R U . . .
C14 C 0.0977(9) 0.8897(9) 0.2632(9) 0.0178(16) Uani 1 1 d . U . . .
H14 H 0.0344 0.9089 0.2534 0.021 Uiso 1 1 calc R U . . .
C36 C 0.2757(9) 0.8659(9) 0.2142(9) 0.0172(16) Uani 1 1 d . U . . .
H36 H 0.3337 0.8692 0.1708 0.021 Uiso 1 1 calc R U . . .
C16 C 0.9621(9) 0.3662(9) 0.1513(9) 0.0182(16) Uani 1 1 d . U . . .
H16 H 1.0046 0.3209 0.1757 0.022 Uiso 1 1 calc R U . . .
C26 C 0.8959(9) 0.4295(9) 0.2024(8) 0.0153(15) Uani 1 1 d . U . . .
C28 C 0.9749(9) 0.3670(9) -0.1038(9) 0.0180(17) Uani 1 1 d . U . . .
H28A H 1.0400 0.3655 -0.0917 0.022 Uiso 1 1 calc R U . . .
H28B H 0.9809 0.3920 -0.1627 0.022 Uiso 1 1 calc R U . . .
C32 C 0.8959(9) 0.4192(9) 0.2884(8) 0.0171(15) Uani 1 1 d . U . . .
H32 H 0.9482 0.3784 0.3040 0.021 Uiso 1 1 calc R U . . .
C24 C 0.8357(10) 0.4957(10) -0.0894(9) 0.0212(17) Uani 1 1 d . U . . .
H24A H 0.8610 0.4997 -0.1504 0.025 Uiso 1 1 calc R U . . .
H24B H 0.8325 0.5594 -0.0718 0.025 Uiso 1 1 calc R U . . .
C34 C 0.1835(9) 0.8992(9) 0.1957(9) 0.0190(16) Uani 1 1 d . U . . .
C30 C 0.9096(9) 0.4034(9) 0.6639(8) 0.0162(17) Uani 1 1 d . U . . .
H30 H 0.9736 0.4001 0.6728 0.019 Uiso 1 1 calc R U . . .
C18 C 0.1983(9) 0.8243(9) 0.3610(8) 0.0157(15) Uani 1 1 d . U . . .
C38 C 0.8410(9) 0.6957(9) 0.3463(9) 0.019(2) Uani 1 1 d . U . . .
H38A H 0.8545 0.6438 0.3874 0.028 Uiso 1 1 calc R U . . .
H38B H 0.8525 0.7551 0.3629 0.028 Uiso 1 1 calc R U . . .
H38C H 0.8846 0.6846 0.2919 0.028 Uiso 1 1 calc R U . . .
C22 C 0.0839(9) 0.9751(9) 0.0995(9) 0.0193(17) Uani 1 1 d . U . . .
H22A H 0.0317 0.9392 0.1359 0.023 Uiso 1 1 calc R U . . .
H22B H 0.0883 0.9645 0.0413 0.023 Uiso 1 1 calc R U . . .
C40 C 0.2527(9) 0.7786(9) 0.8130(8) 0.0170(18) Uani 1 1 d . U . . .
H40 H 0.2172 0.8289 0.8435 0.020 Uiso 1 1 calc R U . . .
C42 C 0.9467(10) 0.2659(10) -0.0918(9) 0.022(2) Uani 1 1 d . U . . .
H42A H 0.9972 0.2265 -0.1282 0.033 Uiso 1 1 calc R U . . .
H42B H 0.8834 0.2664 -0.1057 0.033 Uiso 1 1 calc R U . . .
H42C H 0.9414 0.2402 -0.0338 0.033 Uiso 1 1 calc R U . . .
C51 C 0.2629(9) 0.7838(9) 0.7282(8) 0.0147(16) Uani 1 1 d . U . . .
H51 H 0.2329 0.8374 0.7007 0.018 Uiso 1 1 calc R U . . .
C83 C 0.5969(10) 0.5888(9) 0.7565(8) 0.019(2) Uani 1 1 d D U . . .
H83A H 0.6639 0.5785 0.7645 0.029 Uiso 1 1 calc R U . . .
H83B H 0.5673 0.5294 0.7706 0.029 Uiso 1 1 calc R U . . .
H83C H 0.5576 0.6358 0.7924 0.029 Uiso 1 1 calc R U . . .
C45 C 0.2944(9) 0.6997(9) 0.8531(9) 0.0170(18) Uani 1 1 d . U . . .
H45 H 0.2880 0.6965 0.9112 0.020 Uiso 1 1 calc R U . . .
C13 C 0.2657(10) 0.9514(10) 0.0513(9) 0.0201(17) Uani 1 1 d . U . . .
H13A H 0.3195 0.9661 0.0738 0.024 Uiso 1 1 calc R U . . .
H13B H 0.2509 1.0052 0.0115 0.024 Uiso 1 1 calc R U . . .
C21 C 0.4844(9) 0.8919(9) 0.4445(9) 0.019(2) Uani 1 1 d . U . . .
H21A H 0.4677 0.9440 0.4048 0.029 Uiso 1 1 calc R U . . .
H21B H 0.5257 0.9128 0.4761 0.029 Uiso 1 1 calc R U . . .
H21C H 0.4241 0.8722 0.4826 0.029 Uiso 1 1 calc R U . . .
C80 C 0.0565(11) 1.0794(11) 0.1099(10) 0.026(2) Uani 1 1 d . U . . .
H80A H 0.1132 1.1138 0.0831 0.040 Uiso 1 1 calc R U . . .
H80B H 0.0367 1.0884 0.1691 0.040 Uiso 1 1 calc R U . . .
H80C H 0.0018 1.1034 0.0841 0.040 Uiso 1 1 calc R U . . .
C3 C 0.7319(11) 0.4651(11) -0.0668(10) 0.028(2) Uani 1 1 d . U . . .
H3A H 0.6905 0.5081 -0.0974 0.043 Uiso 1 1 calc R U . . .
H3B H 0.7040 0.4669 -0.0070 0.043 Uiso 1 1 calc R U . . .
H3C H 0.7350 0.4009 -0.0814 0.043 Uiso 1 1 calc R U . . .
C76 C 0.5177(11) 0.8467(11) 0.6903(11) 0.030(2) Uani 1 1 d . U . . .
H76A H 0.4972 0.8393 0.6400 0.045 Uiso 1 1 calc R U . . .
H76B H 0.5174 0.9139 0.6951 0.045 Uiso 1 1 calc R U . . .
H76C H 0.4721 0.8190 0.7390 0.045 Uiso 1 1 calc R U . . .
C49 C 0.2996(11) 0.8638(11) 0.0057(10) 0.029(2) Uani 1 1 d . U . . .
H49A H 0.3612 0.8725 -0.0358 0.043 Uiso 1 1 calc R U . . .
H49B H 0.2494 0.8528 -0.0219 0.043 Uiso 1 1 calc R U . . .
H49C H 0.3101 0.8094 0.0455 0.043 Uiso 1 1 calc R U . . .
C82 C 0.9648(12) 0.0849(12) 0.3596(12) 0.036(3) Uani 1 1 d . U . . .
H82A H 0.9247 0.0524 0.3347 0.054 Uiso 1 1 calc R U . . .
H82B H 0.9587 0.0594 0.4177 0.054 Uiso 1 1 calc R U . . .
H82C H 1.0337 0.0753 0.3290 0.054 Uiso 1 1 calc R U . . .
C25 C 0.7654(12) 0.7619(11) 0.0742(10) 0.031(2) Uani 1 1 d D U . . .
H25A H 0.8075 0.7103 0.0457 0.047 Uiso 1 1 calc R U . . .
H25B H 0.7967 0.8203 0.0568 0.047 Uiso 1 1 calc R U . . .
H25C H 0.7016 0.7701 0.0600 0.047 Uiso 1 1 calc R U . . .
C43 C 1.1056(11) 0.3223(12) 0.4142(11) 0.031(3) Uani 1 1 d . U . . .
H43A H 1.1135 0.3694 0.3658 0.047 Uiso 1 1 calc R U . . .
H43B H 1.1561 0.2687 0.4025 0.047 Uiso 1 1 calc R U . . .
H43C H 1.1125 0.3504 0.4624 0.047 Uiso 1 1 calc R U . . .
C11 C 0.7723(14) 0.9663(13) 0.5851(12) 0.041(3) Uani 1 1 d . U . . .
H11A H 0.8327 0.9825 0.5451 0.062 Uiso 1 1 calc R U . . .
H11B H 0.7842 0.9539 0.6409 0.062 Uiso 1 1 calc R U . . .
H11C H 0.7205 1.0189 0.5842 0.062 Uiso 1 1 calc R U . . .
C23 C 0.5054(12) 0.9654(11) 0.1666(10) 0.033(2) Uani 1 1 d D U . . .
H23A H 0.5147 0.9395 0.1134 0.050 Uiso 1 1 calc R U . . .
H23B H 0.5503 1.0133 0.1602 0.050 Uiso 1 1 calc R U . . .
H23C H 0.4375 0.9939 0.1842 0.050 Uiso 1 1 calc R U . . .
O23 O 0.6663(13) 0.7890(13) 0.8338(11) 0.066(3) Uani 1 1 d . U . . .
H23 H 0.6283 0.8243 0.8672 0.099 Uiso 1 1 calc R U . . .
C74 C 0.7593(18) 0.8083(19) 0.8229(17) 0.068(5) Uani 1 1 d . U . . .
H74A H 0.8023 0.7741 0.7779 0.102 Uiso 1 1 calc R U . . .
H74B H 0.7810 0.7887 0.8743 0.102 Uiso 1 1 calc R U . . .
H74C H 0.7625 0.8762 0.8085 0.102 Uiso 1 1 calc R U . . .
C8 C 0.5552(11) 0.6705(11) 0.2084(10) 0.026(2) Uani 1 1 d . U . . .
H8A H 0.5001 0.6322 0.2231 0.039 Uiso 1 1 calc R U . . .
H8B H 0.6122 0.6365 0.1733 0.039 Uiso 1 1 calc R U . . .
H8C H 0.5367 0.7303 0.1780 0.039 Uiso 1 1 calc R U . . .
C1 C 0.5114(15) 0.6556(14) -0.0026(13) 0.046(3) Uani 1 1 d . U . . .
H1A H 0.4528 0.6599 -0.0245 0.069 Uiso 1 1 calc R U . . .
H1B H 0.4959 0.6301 0.0559 0.069 Uiso 1 1 calc R U . . .
H1C H 0.5642 0.6140 -0.0345 0.069 Uiso 1 1 calc R U . . .
O24 O 0.5499(13) 0.7703(13) -0.0113(12) 0.071(3) Uani 1 1 d . U . . .
H24 H 0.5004 0.8100 0.0007 0.106 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy1 3.5742(12) 2_666 ?
Dy1 Dy2 3.6701(9) 2_666 ?
Dy1 Dy4 3.7034(8) 2_666 ?
Dy1 O8 2.301(8) 2_666 ?
Dy1 O8 2.246(9) . ?
Dy1 O4 2.371(8) . ?
Dy1 O10 2.491(8) . ?
Dy1 O3 2.344(8) . ?
Dy1 O5 2.498(8) . ?
Dy1 O2 2.419(8) . ?
Dy1 O9 2.401(9) . ?
Dy2 Dy1 3.6701(8) 2_666 ?
Dy2 O8 2.239(8) . ?
Dy2 O11 2.298(8) . ?
Dy2 O6 2.249(9) . ?
Dy2 O3 2.290(8) 2_666 ?
Dy2 O5 2.393(9) . ?
Dy2 O7 2.359(9) . ?
Dy2 N5 2.463(9) . ?
Dy4 Dy1 3.7034(8) 2_666 ?
Dy4 O8 2.271(8) . ?
Dy4 O4 2.319(8) 2_666 ?
Dy4 O1 2.257(9) . ?
Dy4 O14 2.299(8) . ?
Dy4 O7 2.401(9) . ?
Dy4 O2 2.364(9) . ?
Dy4 N2 2.455(10) . ?
Dy3 O11 2.349(8) . ?
Dy3 O12 2.389(9) . ?
Dy3 O20 2.557(9) . ?
Dy3 O14 2.237(9) . ?
Dy3 O7 2.426(8) . ?
Dy3 O13 2.448(9) . ?
Dy3 O18 2.494(9) . ?
Dy3 O17 2.511(9) . ?
Dy3 O15 2.462(9) . ?
O8 Dy1 2.301(8) 2_666 ?
O11 C21 1.411(15) . ?
O6 C9 1.338(15) . ?
O4 Dy4 2.319(8) 2_666 ?
O4 C39 1.332(14) . ?
O10 H10A 0.8729 . ?
O10 H10B 0.8738 . ?
O3 Dy2 2.290(8) 2_666 ?
O3 C37 1.334(14) . ?
O1 C41 1.329(15) . ?
O12 H12 0.872(10) . ?
O12 C23 1.445(18) . ?
O20 N7 1.272(14) . ?
O5 C12 1.334(14) . ?
O14 C38 1.410(15) . ?
O7 C8 1.471(17) . ?
O2 C19 1.308(15) . ?
O9 H9 0.875(10) . ?
O9 C83 1.412(16) . ?
O13 H13 0.870(10) . ?
O13 C25 1.420(17) . ?
O18 N7 1.270(15) . ?
O17 N8 1.253(15) . ?
O15 N8 1.268(14) . ?
O25 H25 0.8400 . ?
O25 C82 1.389(19) . ?
N3 H3 0.8800 . ?
N3 N2 1.421(14) . ?
N3 C19 1.316(15) . ?
N2 C32 1.309(16) . ?
N5 N4 1.394(14) . ?
N5 C75 1.304(16) . ?
O19 N7 1.232(15) . ?
O60 H60 0.8400 . ?
O60 C43 1.436(18) . ?
O22 H22 0.8400 . ?
O22 C76 1.440(18) . ?
N4 H4 0.8800 . ?
N4 C12 1.267(16) . ?
O16 N8 1.231(15) . ?
N1 C71 1.370(17) . ?
N1 C28 1.472(16) . ?
N1 C24 1.456(17) . ?
O21 H21 0.8400 . ?
O21 C11 1.42(2) . ?
N6 C34 1.342(18) . ?
N6 C22 1.460(16) . ?
N6 C13 1.481(17) . ?
C35 H35 0.9500 . ?
C35 C41 1.397(19) . ?
C35 C71 1.412(17) . ?
C75 H75 0.9500 . ?
C75 C18 1.399(19) . ?
C41 C26 1.408(18) . ?
C37 C84 1.404(18) . ?
C37 C53 1.421(17) . ?
C84 H84 0.9500 . ?
C84 C5 1.394(17) . ?
C71 C77 1.415(18) . ?
C53 C19 1.486(18) . ?
C53 C20 1.402(16) . ?
C39 C73 1.433(17) . ?
C39 C81 1.417(18) . ?
C27 H27 0.9500 . ?
C27 C14 1.36(2) . ?
C27 C18 1.424(17) . ?
C9 C36 1.382(19) . ?
C9 C18 1.444(17) . ?
C73 C12 1.468(18) . ?
C73 C51 1.402(16) . ?
C5 H5 0.9500 . ?
C5 C30 1.401(18) . ?
C77 H77 0.9500 . ?
C77 C16 1.37(2) . ?
C81 H81 0.9500 . ?
C81 C45 1.388(17) . ?
C20 H20 0.9500 . ?
C20 C30 1.368(19) . ?
C14 H14 0.9500 . ?
C14 C34 1.441(18) . ?
C36 H36 0.9500 . ?
C36 C34 1.423(18) . ?
C16 H16 0.9500 . ?
C16 C26 1.414(17) . ?
C26 C32 1.426(19) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C42 1.538(18) . ?
C32 H32 0.9500 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C3 1.533(19) . ?
C30 H30 0.9500 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C80 1.520(19) . ?
C40 H40 0.9500 . ?
C40 C51 1.382(19) . ?
C40 C45 1.382(19) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C51 H51 0.9500 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C45 H45 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C49 1.52(2) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
O23 H23 0.8400 . ?
O23 C74 1.35(3) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 O24 1.79(3) . ?
O24 H24 0.8400 . ?

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 Dy2 63.30(2) 2_666 2_666 ?
Dy1 Dy1 Dy4 62.468(19) 2_666 2_666 ?
Dy2 Dy1 Dy4 59.100(16) 2_666 2_666 ?
O8 Dy1 Dy1 38.7(2) . 2_666 ?
O8 Dy1 Dy1 37.6(2) 2_666 2_666 ?
O8 Dy1 Dy2 35.5(2) 2_666 2_666 ?
O8 Dy1 Dy2 96.8(2) . 2_666 ?
O8 Dy1 Dy4 95.6(2) . 2_666 ?
O8 Dy1 Dy4 35.6(2) 2_666 2_666 ?
O8 Dy1 O8 76.4(3) . 2_666 ?
O8 Dy1 O4 121.5(3) . . ?
O8 Dy1 O4 72.3(3) 2_666 . ?
O8 Dy1 O10 80.6(3) . . ?
O8 Dy1 O10 156.9(3) 2_666 . ?
O8 Dy1 O3 122.8(3) . . ?
O8 Dy1 O3 72.1(3) 2_666 . ?
O8 Dy1 O5 68.9(3) . . ?
O8 Dy1 O5 99.0(3) 2_666 . ?
O8 Dy1 O2 101.1(3) 2_666 . ?
O8 Dy1 O2 70.2(3) . . ?
O8 Dy1 O9 135.9(3) 2_666 . ?
O8 Dy1 O9 147.8(3) . . ?
O4 Dy1 Dy1 97.63(19) . 2_666 ?
O4 Dy1 Dy2 84.9(2) . 2_666 ?
O4 Dy1 Dy4 37.35(19) . 2_666 ?
O4 Dy1 O10 120.2(3) . . ?
O4 Dy1 O5 69.0(3) . . ?
O4 Dy1 O2 163.0(3) . . ?
O4 Dy1 O9 78.0(3) . . ?
O10 Dy1 Dy1 119.3(2) . 2_666 ?
O10 Dy1 Dy2 152.2(2) . 2_666 ?
O10 Dy1 Dy4 148.6(2) . 2_666 ?
O10 Dy1 O5 71.1(3) . . ?
O3 Dy1 Dy1 98.2(2) . 2_666 ?
O3 Dy1 Dy2 37.13(19) . 2_666 ?
O3 Dy1 Dy4 85.3(2) . 2_666 ?
O3 Dy1 O4 92.2(3) . . ?
O3 Dy1 O10 123.1(3) . . ?
O3 Dy1 O5 161.1(3) . . ?
O3 Dy1 O2 70.8(3) . . ?
O3 Dy1 O9 77.3(3) . . ?
O5 Dy1 Dy1 82.81(19) . 2_666 ?
O5 Dy1 Dy2 133.99(19) . 2_666 ?
O5 Dy1 Dy4 78.37(19) . 2_666 ?
O2 Dy1 Dy1 84.9(2) . 2_666 ?
O2 Dy1 Dy2 81.3(2) . 2_666 ?
O2 Dy1 Dy4 136.4(2) . 2_666 ?
O2 Dy1 O10 71.8(3) . . ?
O2 Dy1 O5 128.0(3) . . ?
O9 Dy1 Dy1 173.5(2) . 2_666 ?
O9 Dy1 Dy2 111.2(2) . 2_666 ?
O9 Dy1 Dy4 112.1(2) . 2_666 ?
O9 Dy1 O10 67.2(3) . . ?
O9 Dy1 O5 99.9(3) . . ?
O9 Dy1 O2 97.9(3) . . ?
O8 Dy2 Dy1 36.6(2) . 2_666 ?
O8 Dy2 O11 100.8(3) . . ?
O8 Dy2 O6 155.1(3) . . ?
O8 Dy2 O3 74.2(3) . 2_666 ?
O8 Dy2 O5 70.9(3) . . ?
O8 Dy2 O7 76.7(3) . . ?
O8 Dy2 N5 127.3(3) . . ?
O11 Dy2 Dy1 137.4(2) . 2_666 ?
O11 Dy2 O5 84.3(3) . . ?
O11 Dy2 O7 72.0(3) . . ?
O11 Dy2 N5 101.4(3) . . ?
O6 Dy2 Dy1 129.3(2) . 2_666 ?
O6 Dy2 O11 88.1(3) . . ?
O6 Dy2 O3 92.4(3) . 2_666 ?
O6 Dy2 O5 133.5(3) . . ?
O6 Dy2 O7 84.2(3) . . ?
O6 Dy2 N5 72.2(3) . . ?
O3 Dy2 Dy1 38.2(2) 2_666 2_666 ?
O3 Dy2 O11 168.2(3) 2_666 . ?
O3 Dy2 O5 103.8(3) 2_666 . ?
O3 Dy2 O7 96.3(3) 2_666 . ?
O3 Dy2 N5 90.0(3) 2_666 . ?
O5 Dy2 Dy1 82.1(2) . 2_666 ?
O5 Dy2 N5 64.7(3) . . ?
O7 Dy2 Dy1 90.2(2) . 2_666 ?
O7 Dy2 O5 135.1(3) . . ?
O7 Dy2 N5 155.9(3) . . ?
N5 Dy2 Dy1 108.6(2) . 2_666 ?
O8 Dy4 Dy1 36.2(2) . 2_666 ?
O8 Dy4 O4 73.8(3) . 2_666 ?
O8 Dy4 O14 105.7(3) . . ?
O8 Dy4 O7 75.3(3) . . ?
O8 Dy4 O2 70.8(3) . . ?
O8 Dy4 N2 129.8(3) . . ?
O4 Dy4 Dy1 38.4(2) 2_666 2_666 ?
O4 Dy4 O7 94.6(3) 2_666 . ?
O4 Dy4 O2 106.0(3) 2_666 . ?
O4 Dy4 N2 96.1(3) 2_666 . ?
O1 Dy4 Dy1 124.6(2) . 2_666 ?
O1 Dy4 O8 150.7(3) . . ?
O1 Dy4 O4 87.5(3) . 2_666 ?
O1 Dy4 O14 86.7(3) . . ?
O1 Dy4 O7 84.2(3) . . ?
O1 Dy4 O2 137.4(3) . . ?
O1 Dy4 N2 73.5(3) . . ?
O14 Dy4 Dy1 141.6(2) . 2_666 ?
O14 Dy4 O4 165.1(3) . 2_666 ?
O14 Dy4 O7 71.2(3) . . ?
O14 Dy4 O2 87.5(3) . . ?
O14 Dy4 N2 95.4(3) . . ?
O7 Dy4 Dy1 88.8(2) . 2_666 ?
O7 Dy4 N2 154.7(3) . . ?
O2 Dy4 Dy1 82.7(2) . 2_666 ?
O2 Dy4 O7 132.9(3) . . ?
O2 Dy4 N2 65.1(3) . . ?
N2 Dy4 Dy1 113.5(2) . 2_666 ?
O11 Dy3 O12 78.1(3) . . ?
O11 Dy3 O20 72.7(3) . . ?
O11 Dy3 O7 69.9(3) . . ?
O11 Dy3 O13 142.0(3) . . ?
O11 Dy3 O18 80.8(3) . . ?
O11 Dy3 O17 141.2(3) . . ?
O11 Dy3 O15 138.6(3) . . ?
O12 Dy3 O20 126.4(3) . . ?
O12 Dy3 O7 76.7(3) . . ?
O12 Dy3 O13 96.7(3) . . ?
O12 Dy3 O18 81.3(3) . . ?
O12 Dy3 O17 121.2(3) . . ?
O12 Dy3 O15 70.7(3) . . ?
O14 Dy3 O11 86.5(3) . . ?
O14 Dy3 O12 148.1(3) . . ?
O14 Dy3 O20 73.4(3) . . ?
O14 Dy3 O7 71.8(3) . . ?
O14 Dy3 O13 78.5(3) . . ?
O14 Dy3 O18 123.9(3) . . ?
O14 Dy3 O17 88.1(3) . . ?
O14 Dy3 O15 133.5(3) . . ?
O7 Dy3 O20 129.6(3) . . ?
O7 Dy3 O13 72.2(3) . . ?
O7 Dy3 O18 146.3(3) . . ?
O7 Dy3 O17 142.9(3) . . ?
O7 Dy3 O15 125.5(3) . . ?
O13 Dy3 O20 133.2(3) . . ?
O13 Dy3 O18 136.2(3) . . ?
O13 Dy3 O17 73.5(3) . . ?
O13 Dy3 O15 69.8(3) . . ?
O18 Dy3 O20 50.7(3) . . ?
O18 Dy3 O17 70.7(3) . . ?
O17 Dy3 O20 68.9(3) . . ?
O15 Dy3 O20 104.9(3) . . ?
O15 Dy3 O18 68.3(3) . . ?
O15 Dy3 O17 51.2(3) . . ?
Dy1 O8 Dy1 103.6(3) . 2_666 ?
Dy1 O8 Dy4 113.4(3) . . ?
Dy2 O8 Dy1 107.9(3) . 2_666 ?
Dy2 O8 Dy1 115.9(3) . . ?
Dy2 O8 Dy4 107.4(3) . . ?
Dy4 O8 Dy1 108.2(3) . 2_666 ?
Dy2 O11 Dy3 110.8(3) . . ?
C21 O11 Dy2 114.4(7) . . ?
C21 O11 Dy3 125.6(7) . . ?
C9 O6 Dy2 138.5(8) . . ?
Dy4 O4 Dy1 104.3(3) 2_666 . ?
C39 O4 Dy1 125.3(7) . . ?
C39 O4 Dy4 122.7(7) . 2_666 ?
Dy1 O10 H10A 109.7 . . ?
Dy1 O10 H10B 109.6 . . ?
H10A O10 H10B 104.3 . . ?
Dy2 O3 Dy1 104.7(3) 2_666 . ?
C37 O3 Dy1 125.3(7) . . ?
C37 O3 Dy2 123.6(7) . 2_666 ?
C41 O1 Dy4 136.5(8) . . ?
Dy3 O12 H12 113.3(17) . . ?
C23 O12 Dy3 136.3(8) . . ?
C23 O12 H12 109(2) . . ?
N7 O20 Dy3 94.7(7) . . ?
Dy2 O5 Dy1 102.0(3) . . ?
C12 O5 Dy1 133.6(8) . . ?
C12 O5 Dy2 120.5(8) . . ?
Dy3 O14 Dy4 113.3(4) . . ?
C38 O14 Dy4 118.1(7) . . ?
C38 O14 Dy3 123.4(7) . . ?
Dy2 O7 Dy4 99.6(3) . . ?
Dy2 O7 Dy3 106.2(3) . . ?
Dy4 O7 Dy3 103.5(3) . . ?
C8 O7 Dy2 111.9(7) . . ?
C8 O7 Dy4 114.5(7) . . ?
C8 O7 Dy3 119.0(8) . . ?
Dy4 O2 Dy1 104.2(3) . . ?
C19 O2 Dy1 133.1(8) . . ?
C19 O2 Dy4 119.9(8) . . ?
Dy1 O9 H9 117.8(17) . . ?
C83 O9 Dy1 131.4(7) . . ?
C83 O9 H9 109.9(19) . . ?
Dy3 O13 H13 117.0(16) . . ?
C25 O13 Dy3 133.7(8) . . ?
C25 O13 H13 109.3(17) . . ?
N7 O18 Dy3 97.8(7) . . ?
N8 O17 Dy3 94.9(7) . . ?
N8 O15 Dy3 96.9(7) . . ?
C82 O25 H25 109.5 . . ?
N2 N3 H3 124.2 . . ?
C19 N3 H3 124.2 . . ?
C19 N3 N2 111.7(9) . . ?
N3 N2 Dy4 118.7(7) . . ?
C32 N2 Dy4 129.3(9) . . ?
C32 N2 N3 111.8(10) . . ?
N4 N5 Dy2 116.3(7) . . ?
C75 N5 Dy2 128.4(8) . . ?
C75 N5 N4 114.1(10) . . ?
C43 O60 H60 109.5 . . ?
C76 O22 H22 109.5 . . ?
N5 N4 H4 120.8 . . ?
C12 N4 N5 118.4(10) . . ?
C12 N4 H4 120.8 . . ?
C71 N1 C28 121.3(11) . . ?
C71 N1 C24 121.4(11) . . ?
C24 N1 C28 117.2(11) . . ?
C11 O21 H21 109.5 . . ?
O18 N7 O20 116.6(10) . . ?
O19 N7 O20 121.2(12) . . ?
O19 N7 O18 122.1(11) . . ?
C34 N6 C22 122.7(12) . . ?
C34 N6 C13 122.0(11) . . ?
C22 N6 C13 115.3(11) . . ?
O17 N8 O15 117.0(10) . . ?
O16 N8 O17 123.2(11) . . ?
O16 N8 O15 119.8(11) . . ?
C41 C35 H35 118.7 . . ?
C41 C35 C71 122.6(12) . . ?
C71 C35 H35 118.7 . . ?
N5 C75 H75 116.7 . . ?
N5 C75 C18 126.7(12) . . ?
C18 C75 H75 116.7 . . ?
O1 C41 C35 119.5(12) . . ?
O1 C41 C26 121.7(12) . . ?
C35 C41 C26 118.8(12) . . ?
O3 C37 C84 119.4(11) . . ?
O3 C37 C53 122.1(11) . . ?
C84 C37 C53 118.5(11) . . ?
C37 C84 H84 119.6 . . ?
C5 C84 C37 120.7(11) . . ?
C5 C84 H84 119.6 . . ?
N1 C71 C35 121.6(12) . . ?
N1 C71 C77 120.5(12) . . ?
C35 C71 C77 118.0(12) . . ?
C37 C53 C19 119.1(11) . . ?
C20 C53 C37 119.3(12) . . ?
C20 C53 C19 121.5(11) . . ?
O4 C39 C73 122.1(11) . . ?
O4 C39 C81 121.0(11) . . ?
C81 C39 C73 116.6(11) . . ?
C14 C27 H27 118.5 . . ?
C14 C27 C18 123.1(12) . . ?
C18 C27 H27 118.5 . . ?
O2 C19 N3 124.5(12) . . ?
O2 C19 C53 119.5(11) . . ?
N3 C19 C53 115.9(10) . . ?
O6 C9 C36 119.4(11) . . ?
O6 C9 C18 120.0(12) . . ?
C36 C9 C18 120.5(12) . . ?
C39 C73 C12 119.2(11) . . ?
C51 C73 C39 120.6(12) . . ?
C51 C73 C12 120.2(11) . . ?
C84 C5 H5 119.9 . . ?
C84 C5 C30 120.2(12) . . ?
C30 C5 H5 119.9 . . ?
C71 C77 H77 120.4 . . ?
C16 C77 C71 119.3(12) . . ?
C16 C77 H77 120.4 . . ?
C39 C81 H81 119.4 . . ?
C45 C81 C39 121.3(12) . . ?
C45 C81 H81 119.4 . . ?
O5 C12 C73 118.1(11) . . ?
N4 C12 O5 120.0(11) . . ?
N4 C12 C73 121.9(11) . . ?
C53 C20 H20 119.2 . . ?
C30 C20 C53 121.6(12) . . ?
C30 C20 H20 119.2 . . ?
C27 C14 H14 119.5 . . ?
C27 C14 C34 121.0(12) . . ?
C34 C14 H14 119.5 . . ?
C9 C36 H36 118.7 . . ?
C9 C36 C34 122.6(12) . . ?
C34 C36 H36 118.7 . . ?
C77 C16 H16 118.4 . . ?
C77 C16 C26 123.1(13) . . ?
C26 C16 H16 118.4 . . ?
C41 C26 C16 118.2(12) . . ?
C41 C26 C32 124.5(12) . . ?
C16 C26 C32 117.3(12) . . ?
N1 C28 H28A 108.9 . . ?
N1 C28 H28B 108.9 . . ?
N1 C28 C42 113.3(11) . . ?
H28A C28 H28B 107.7 . . ?
C42 C28 H28A 108.9 . . ?
C42 C28 H28B 108.9 . . ?
N2 C32 C26 126.9(12) . . ?
N2 C32 H32 116.5 . . ?
C26 C32 H32 116.5 . . ?
N1 C24 H24A 109.1 . . ?
N1 C24 H24B 109.1 . . ?
N1 C24 C3 112.7(12) . . ?
H24A C24 H24B 107.8 . . ?
C3 C24 H24A 109.1 . . ?
C3 C24 H24B 109.1 . . ?
N6 C34 C14 122.0(12) . . ?
N6 C34 C36 121.5(12) . . ?
C36 C34 C14 116.4(12) . . ?
C5 C30 H30 120.2 . . ?
C20 C30 C5 119.6(12) . . ?
C20 C30 H30 120.2 . . ?
C75 C18 C27 119.0(11) . . ?
C75 C18 C9 124.7(12) . . ?
C27 C18 C9 116.2(12) . . ?
O14 C38 H38A 109.5 . . ?
O14 C38 H38B 109.5 . . ?
O14 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N6 C22 H22A 109.2 . . ?
N6 C22 H22B 109.2 . . ?
N6 C22 C80 111.9(11) . . ?
H22A C22 H22B 107.9 . . ?
C80 C22 H22A 109.2 . . ?
C80 C22 H22B 109.2 . . ?
C51 C40 H40 120.2 . . ?
C51 C40 C45 119.5(12) . . ?
C45 C40 H40 120.2 . . ?
C28 C42 H42A 109.5 . . ?
C28 C42 H42B 109.5 . . ?
C28 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C73 C51 H51 119.6 . . ?
C40 C51 C73 120.7(12) . . ?
C40 C51 H51 119.6 . . ?
O9 C83 H83A 109.5 . . ?
O9 C83 H83B 109.5 . . ?
O9 C83 H83C 109.5 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C81 C45 H45 119.4 . . ?
C40 C45 C81 121.2(13) . . ?
C40 C45 H45 119.4 . . ?
N6 C13 H13A 109.1 . . ?
N6 C13 H13B 109.1 . . ?
N6 C13 C49 112.4(11) . . ?
H13A C13 H13B 107.8 . . ?
C49 C13 H13A 109.1 . . ?
C49 C13 H13B 109.1 . . ?
O11 C21 H21A 109.5 . . ?
O11 C21 H21B 109.5 . . ?
O11 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C22 C80 H80A 109.5 . . ?
C22 C80 H80B 109.5 . . ?
C22 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C24 C3 H3A 109.5 . . ?
C24 C3 H3B 109.5 . . ?
C24 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O22 C76 H76A 109.5 . . ?
O22 C76 H76B 109.5 . . ?
O22 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C13 C49 H49A 109.5 . . ?
C13 C49 H49B 109.5 . . ?
C13 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
O25 C82 H82A 109.5 . . ?
O25 C82 H82B 109.5 . . ?
O25 C82 H82C 109.5 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
O13 C25 H25A 109.5 . . ?
O13 C25 H25B 109.5 . . ?
O13 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O60 C43 H43A 109.5 . . ?
O60 C43 H43B 109.5 . . ?
O60 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O21 C11 H11A 109.5 . . ?
O21 C11 H11B 109.5 . . ?
O21 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O12 C23 H23A 109.5 . . ?
O12 C23 H23B 109.5 . . ?
O12 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C74 O23 H23 109.5 . . ?
O23 C74 H74A 109.5 . . ?
O23 C74 H74B 109.5 . . ?
O23 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
O7 C8 H8A 109.5 . . ?
O7 C8 H8B 109.5 . . ?
O7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O24 C1 H1A 109.5 . . ?
O24 C1 H1B 109.5 . . ?
O24 C1 H1C 109.5 . . ?
C1 O24 H24 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O4 C39 C73 60.8(14) . . . . ?
Dy1 O4 C39 C81 -124.8(10) . . . . ?
Dy1 O3 C37 C84 129.3(10) . . . . ?
Dy1 O3 C37 C53 -53.2(14) . . . . ?
Dy1 O5 C12 N4 -152.6(9) . . . . ?
Dy1 O5 C12 C73 29.6(16) . . . . ?
Dy1 O2 C19 N3 160.4(9) . . . . ?
Dy1 O2 C19 C53 -22.5(16) . . . . ?
Dy2 O6 C9 C36 -157.3(9) . . . . ?
Dy2 O6 C9 C18 24.2(18) . . . . ?
Dy2 O3 C37 C84 -83.3(12) 2_666 . . . ?
Dy2 O3 C37 C53 94.2(12) 2_666 . . . ?
Dy2 O5 C12 N4 1.0(15) . . . . ?
Dy2 O5 C12 C73 -176.8(8) . . . . ?
Dy2 N5 N4 C12 3.7(13) . . . . ?
Dy2 N5 C75 C18 -21.1(18) . . . . ?
Dy4 O4 C39 C73 -83.7(13) 2_666 . . . ?
Dy4 O4 C39 C81 90.7(12) 2_666 . . . ?
Dy4 O1 C41 C35 149.3(10) . . . . ?
Dy4 O1 C41 C26 -32.3(18) . . . . ?
Dy4 O2 C19 N3 2.3(15) . . . . ?
Dy4 O2 C19 C53 179.4(8) . . . . ?
Dy4 N2 C32 C26 4.5(19) . . . . ?
Dy3 O20 N7 O18 4.5(10) . . . . ?
Dy3 O20 N7 O19 -175.8(10) . . . . ?
Dy3 O18 N7 O20 -4.6(11) . . . . ?
Dy3 O18 N7 O19 175.6(10) . . . . ?
Dy3 O17 N8 O15 -1.5(11) . . . . ?
Dy3 O17 N8 O16 178.8(11) . . . . ?
Dy3 O15 N8 O17 1.6(11) . . . . ?
Dy3 O15 N8 O16 -178.8(10) . . . . ?
O6 C9 C36 C34 -179.7(11) . . . . ?
O6 C9 C18 C75 4.5(19) . . . . ?
O6 C9 C18 C27 -177.5(11) . . . . ?
O4 C39 C73 C12 -3.9(17) . . . . ?
O4 C39 C73 C51 174.4(11) . . . . ?
O4 C39 C81 C45 -176.7(11) . . . . ?
O3 C37 C84 C5 179.2(11) . . . . ?
O3 C37 C53 C19 -3.4(17) . . . . ?
O3 C37 C53 C20 -179.1(11) . . . . ?
O1 C41 C26 C16 -179.6(11) . . . . ?
O1 C41 C26 C32 3(2) . . . . ?
N3 N2 C32 C26 179.7(11) . . . . ?
N2 N3 C19 O2 -3.4(16) . . . . ?
N2 N3 C19 C53 179.4(9) . . . . ?
N5 N4 C12 O5 -3.2(16) . . . . ?
N5 N4 C12 C73 174.5(10) . . . . ?
N5 C75 C18 C27 179.1(12) . . . . ?
N5 C75 C18 C9 -3(2) . . . . ?
N4 N5 C75 C18 171.6(12) . . . . ?
N1 C71 C77 C16 -176.2(12) . . . . ?
C35 C41 C26 C16 -1.2(18) . . . . ?
C35 C41 C26 C32 -178.5(12) . . . . ?
C35 C71 C77 C16 2.5(18) . . . . ?
C75 N5 N4 C12 172.6(11) . . . . ?
C41 C35 C71 N1 175.7(12) . . . . ?
C41 C35 C71 C77 -3.0(19) . . . . ?
C41 C26 C32 N2 8(2) . . . . ?
C37 C84 C5 C30 0.3(18) . . . . ?
C37 C53 C19 O2 40.9(16) . . . . ?
C37 C53 C19 N3 -141.8(11) . . . . ?
C37 C53 C20 C30 -0.4(18) . . . . ?
C84 C37 C53 C19 174.1(11) . . . . ?
C84 C37 C53 C20 -1.6(17) . . . . ?
C84 C5 C30 C20 -2.3(19) . . . . ?
C71 N1 C28 C42 80.0(15) . . . . ?
C71 N1 C24 C3 -78.0(16) . . . . ?
C71 C35 C41 O1 -179.2(11) . . . . ?
C71 C35 C41 C26 2.4(19) . . . . ?
C71 C77 C16 C26 -2(2) . . . . ?
C53 C37 C84 C5 1.7(17) . . . . ?
C53 C20 C30 C5 2.3(19) . . . . ?
C39 C73 C12 O5 -39.5(16) . . . . ?
C39 C73 C12 N4 142.8(12) . . . . ?
C39 C73 C51 C40 1.9(18) . . . . ?
C39 C81 C45 C40 2.5(19) . . . . ?
C27 C14 C34 N6 -175.5(13) . . . . ?
C27 C14 C34 C36 2.2(19) . . . . ?
C19 N3 N2 Dy4 2.9(12) . . . . ?
C19 N3 N2 C32 -172.9(10) . . . . ?
C19 C53 C20 C30 -176.0(11) . . . . ?
C9 C36 C34 N6 175.7(12) . . . . ?
C9 C36 C34 C14 -2.0(19) . . . . ?
C73 C39 C81 C45 -2.0(17) . . . . ?
C77 C16 C26 C41 0.9(19) . . . . ?
C77 C16 C26 C32 178.4(12) . . . . ?
C81 C39 C73 C12 -178.5(11) . . . . ?
C81 C39 C73 C51 -0.1(17) . . . . ?
C12 C73 C51 C40 -179.8(11) . . . . ?
C20 C53 C19 O2 -143.5(12) . . . . ?
C20 C53 C19 N3 33.9(17) . . . . ?
C14 C27 C18 C75 174.3(12) . . . . ?
C14 C27 C18 C9 -3.8(19) . . . . ?
C36 C9 C18 C75 -174.0(12) . . . . ?
C36 C9 C18 C27 4.0(18) . . . . ?
C16 C26 C32 N2 -168.8(12) . . . . ?
C28 N1 C71 C35 176.9(11) . . . . ?
C28 N1 C71 C77 -4.4(18) . . . . ?
C28 N1 C24 C3 104.3(13) . . . . ?
C24 N1 C71 C35 -0.7(19) . . . . ?
C24 N1 C71 C77 178.0(11) . . . . ?
C24 N1 C28 C42 -102.2(14) . . . . ?
C34 N6 C22 C80 94.6(15) . . . . ?
C34 N6 C13 C49 83.9(16) . . . . ?
C18 C27 C14 C34 1(2) . . . . ?
C18 C9 C36 C34 -1.1(19) . . . . ?
C22 N6 C34 C14 -2(2) . . . . ?
C22 N6 C34 C36 -179.9(12) . . . . ?
C22 N6 C13 C49 -95.0(14) . . . . ?
C51 C73 C12 O5 142.1(11) . . . . ?
C51 C73 C12 N4 -35.6(18) . . . . ?
C51 C40 C45 C81 -0.7(19) . . . . ?
C45 C40 C51 C73 -1.5(18) . . . . ?
C13 N6 C34 C14 178.9(12) . . . . ?
C13 N6 C34 C36 1.3(19) . . . . ?
C13 N6 C22 C80 -86.5(14) . . . . ?

_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 3.167
_oxdiff_exptl_absorpt_empirical_full_min 0.416
