# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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_qww04-05_auto
_database_code_depnum_ccdc_archive 'CCDC 2283643'
loop_
_audit_author_name
_audit_author_address
'Zhong-Hong Zhu'
;Guangxi Normal University
China
;
_audit_update_record             
;
2023-07-22 deposited with the CCDC.	2023-09-18 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT342_qww04-05_auto       
;
PROBLEM: _ALERT_3_B Low Bond Precision on  C-C Bonds ...............    0.02437 Ang. 
RESPONSE:  The carbon atoms of C-C bonds in the structure don't 
have large disorder. Considering the relatively large R(int) of the 
dataset, the alert is most likely caused by poor data quality. 
;
_vrf_PLAT420_qww04-05_auto       
;
PROBLEM: _ALERT_2_B D-H Bond Without Acceptor  O8       --H8B      .     Please Check 
D-H Bond Without Acceptor  O14      --H14A     .     Please Check
D-H Bond Without Acceptor  O14      --H14B     .     Please Check 
RESPONSE:No acceptor atoms present in structure that would 
facilitate this.
;
# Added during the CSD deposition process: Wednesday May 04 2023 11:10 AM
# end Validation Reply Form

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C70 H94 Dy5.99 N14 O28'
_chemical_formula_weight         2552.96

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                   10.20390(10)
_cell_length_b                   11.90120(10)
_cell_length_c                   19.2989(2)
_cell_angle_alpha                86.1270(10)
_cell_angle_beta                 86.6410(10)
_cell_angle_gamma                67.1830(10)
_cell_volume                     2153.97(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    19538
_cell_measurement_theta_min      2.2940
_cell_measurement_theta_max      75.4900

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.968
_exptl_crystal_F_000             1231
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    27.972
_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      295(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            23012
_diffrn_reflns_av_unetI/netI     0.0600
_diffrn_reflns_av_R_equivalents  0.0896
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.296
_diffrn_reflns_theta_max         66.599
_diffrn_reflns_theta_full        66.599
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7591
_reflns_number_gt                6976
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.1838P)²+41.9735P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7591
_refine_ls_number_parameters     540
_refine_ls_number_restraints     980
_refine_ls_R_factor_all          0.1027
_refine_ls_R_factor_gt           0.0957
_refine_ls_wR_factor_ref         0.2656
_refine_ls_wR_factor_gt          0.2616
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.019
_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
Dy2 Dy 0.61165(7) 0.39566(6) 0.57362(4) 0.0199(3) Uani 1 1 d . . . . .
Dy3 Dy 0.54474(7) 0.26964(6) 0.41280(4) 0.0211(3) Uani 0.994(4) 1 d . . . A 1
Dy1 Dy 0.74787(7) 0.55082(6) 0.70411(4) 0.0246(3) Uani 1 1 d . . . . .
O5 O 0.4082(9) 0.5660(8) 0.5500(5) 0.0277(14) Uani 1 1 d . U . . .
O3 O 0.5572(10) 0.4977(9) 0.6838(5) 0.0318(15) Uani 1 1 d . U . . .
O13 O 0.6845(9) 0.5571(8) 0.5842(5) 0.0294(14) Uani 1 1 d . U . . .
O1 O 0.4108(10) 0.2524(8) 0.3244(5) 0.0306(16) Uani 1 1 d . U . . .
O2 O 0.4888(10) 0.2861(9) 0.5296(5) 0.0318(15) Uani 1 1 d . U . . .
O7 O 0.8731(11) 0.3441(9) 0.7052(6) 0.0392(17) Uani 1 1 d . U . . .
O10 O 0.7160(11) 0.2617(10) 0.3279(6) 0.0401(17) Uani 1 1 d . U . . .
O6 O 0.7557(11) 0.2527(9) 0.6551(6) 0.0375(16) Uani 1 1 d . U . . .
O4 O 0.8422(11) 0.5896(10) 0.7943(5) 0.0377(18) Uani 1 1 d . U . . .
N4 N 0.4300(11) 0.3526(9) 0.6543(6) 0.025(2) Uani 1 1 d . . . . .
O8 O 0.6766(12) 0.0596(9) 0.3896(7) 0.051(2) Uani 1 1 d . U . . .
H8A H 0.696830 0.000367 0.425815 0.076 Uiso 1 1 calc DR U . A 1
H8B H 0.707571 0.037267 0.344448 0.076 Uiso 1 1 calc R U . A 1
C34 C 0.7964(16) 0.3697(16) 0.3745(8) 0.082(5) Uani 1 1 d D U . . .
H34A H 0.715064 0.370011 0.402183 0.123 Uiso 1 1 calc R U . . .
H34B H 0.780557 0.451321 0.357171 0.123 Uiso 1 1 calc DR U . . .
H34C H 0.879007 0.339176 0.402392 0.123 Uiso 1 1 calc DR U . . .
N2 N 0.3911(11) 0.1631(10) 0.4633(5) 0.024(2) Uani 1 1 d . . . . .
O12 O 0.8477(11) 0.3089(10) 0.5244(6) 0.0462(18) Uani 1 1 d . U . . .
O14 O 0.9349(12) 0.5694(12) 0.6444(6) 0.051(2) Uani 1 1 d . U . . .
H14A H 1.001875 0.586866 0.667347 0.077 Uiso 1 1 calc DR U . . .
H14B H 0.945336 0.559538 0.596707 0.077 Uiso 1 1 calc R U . . .
N6 N 0.6057(14) 0.5261(11) 0.8094(6) 0.035(3) Uani 1 1 d . . . . .
N5 N 0.5025(13) 0.4775(13) 0.8011(6) 0.037(3) Uani 1 1 d . . . . .
H5 H 0.453174 0.459601 0.834505 0.045 Uiso 1 1 calc R U . . .
N3 N 0.3424(14) 0.1982(10) 0.5332(7) 0.059(5) Uani 1 1 d . . . . .
H3 H 0.272358 0.183785 0.552962 0.071 Uiso 1 1 calc DR U . . .
C12 C 0.4002(14) 0.2458(12) 0.5612(7) 0.026(2) Uani 1 1 d . U . . .
C8 C 0.3688(15) 0.0699(12) 0.3591(7) 0.0287(19) Uani 1 1 d . U . . .
C7 C 0.3528(16) -0.0337(13) 0.3367(7) 0.032(2) Uani 1 1 d . U . . .
H7 H 0.332748 -0.085856 0.369756 0.038 Uiso 1 1 calc R U . . .
C11 C 0.3547(14) 0.0892(12) 0.4327(7) 0.0278(19) Uani 1 1 d . U . . .
H11 H 0.314983 0.042803 0.460520 0.033 Uiso 1 1 calc R U . . .
C13 C 0.3602(15) 0.2891(14) 0.6339(7) 0.033(2) Uani 1 1 d . U . . .
N1 N 0.4169(19) -0.0118(13) 0.1485(7) 0.053(4) Uani 1 1 d . . . . .
O11 O 0.7645(12) 0.1871(11) 0.4826(7) 0.0493(18) Uani 1 1 d . U . . .
C5 C 0.3986(18) 0.0167(14) 0.2170(8) 0.040(2) Uani 1 1 d . U . . .
C19 C 0.6134(19) 0.5475(16) 0.8751(9) 0.045(2) Uani 1 1 d . U . . .
H19 H 0.547770 0.535236 0.906981 0.054 Uiso 1 1 calc R U . . .
C20 C 0.716(2) 0.5885(16) 0.9007(9) 0.047(2) Uani 1 1 d . U . . .
C17 C 0.4003(15) 0.3974(13) 0.7171(7) 0.031(2) Uani 1 1 d . U . . .
C10 C 0.4070(17) 0.1213(13) 0.2381(8) 0.036(2) Uani 1 1 d . U . . .
H10 H 0.419476 0.176528 0.204577 0.043 Uiso 1 1 calc R U . . .
C9 C 0.3976(16) 0.1486(13) 0.3085(7) 0.031(2) Uani 1 1 d . U . . .
C33 C 0.8664(18) 0.2175(16) 0.4912(10) 0.047(3) Uani 1 1 d . U . . .
C18 C 0.4923(15) 0.4634(13) 0.7353(7) 0.031(2) Uani 1 1 d . U . . .
C14 C 0.2484(16) 0.2730(14) 0.6738(8) 0.035(2) Uani 1 1 d . U . . .
H14 H 0.199977 0.228509 0.657643 0.042 Uiso 1 1 calc R U . . .
C6 C 0.3658(17) -0.0615(14) 0.2673(8) 0.037(2) Uani 1 1 d . U . . .
H6 H 0.353177 -0.130326 0.254189 0.045 Uiso 1 1 calc R U . . .
N7 N 1.005(2) 0.696(2) 0.9973(10) 0.084(6) Uani 1 1 d . U . . .
C31 C 0.8561(14) 0.2520(13) 0.6884(8) 0.033(3) Uani 1 1 d . U . . .
C22 C 0.922(2) 0.6404(18) 0.8942(10) 0.055(2) Uani 1 1 d . U . . .
H22 H 0.997380 0.650293 0.868583 0.065 Uiso 1 1 calc R U . . .
C16 C 0.2905(16) 0.3868(14) 0.7620(8) 0.037(2) Uani 1 1 d . U . . .
H16 H 0.271406 0.419566 0.805583 0.044 Uiso 1 1 calc R U . . .
C23 C 0.908(2) 0.6611(19) 0.9661(10) 0.058(2) Uani 1 1 d . U . . .
C25 C 0.705(2) 0.6052(16) 0.9721(9) 0.049(2) Uani 1 1 d . U . . .
H25 H 0.632511 0.592525 0.998888 0.059 Uiso 1 1 calc R U . . .
C30 C 0.9653(19) 0.1270(16) 0.7106(11) 0.056(4) Uani 1 1 d . U . . .
H30A H 1.009286 0.082700 0.670067 0.084 Uiso 1 1 calc R U . . .
H30B H 0.918832 0.082645 0.738582 0.084 Uiso 1 1 calc R U . . .
H30C H 1.036598 0.136934 0.737008 0.084 Uiso 1 1 calc R U . . .
C21 C 0.828(2) 0.6056(17) 0.8603(9) 0.049(2) Uani 1 1 d . U . . .
C24 C 0.801(2) 0.6407(18) 1.0032(10) 0.055(2) Uani 1 1 d . U . . .
H24 H 0.792178 0.650761 1.050882 0.066 Uiso 1 1 calc R U . . .
C15 C 0.2123(17) 0.3249(15) 0.7378(8) 0.041(2) Uani 1 1 d . U . . .
H15 H 0.136352 0.318491 0.764442 0.049 Uiso 1 1 calc R U . . .
C3 C 0.421(2) 0.0774(16) 0.0941(9) 0.050(3) Uani 1 1 d . U . . .
H3A H 0.354782 0.157613 0.106718 0.060 Uiso 1 1 calc R U . . .
H3B H 0.390458 0.058638 0.051337 0.060 Uiso 1 1 calc R U . . .
C35 C 0.819(2) 0.2905(16) 0.3154(9) 0.056(4) Uani 1 1 d D U . . .
C32 C 1.013(2) 0.1414(19) 0.4668(12) 0.066(5) Uani 1 1 d . U . . .
H32A H 1.057545 0.193034 0.444939 0.099 Uiso 1 1 calc R U . . .
H32B H 1.009109 0.085774 0.433896 0.099 Uiso 1 1 calc R U . . .
H32C H 1.067131 0.096042 0.505641 0.099 Uiso 1 1 calc R U . . .
C2 C 0.435(2) -0.1321(16) 0.1267(9) 0.049(3) Uani 1 1 d . U . . .
H2A H 0.475483 -0.192391 0.164024 0.059 Uiso 1 1 calc R U . . .
H2B H 0.500364 -0.152843 0.086829 0.059 Uiso 1 1 calc R U . . .
C27 C 1.137(3) 0.6940(18) 0.9616(12) 0.072(3) Uani 1 1 d D U . . .
H27A H 1.172218 0.632544 0.927070 0.086 Uiso 1 1 calc R U . . .
H27B H 1.211215 0.682497 0.993858 0.086 Uiso 1 1 calc R U . . .
C28 C 1.008(3) 0.703(2) 1.0722(11) 0.067(3) Uani 1 1 d . U . . .
H28A H 0.977928 0.641047 1.095222 0.081 Uiso 1 1 calc R U . . .
H28B H 1.104694 0.684627 1.084965 0.081 Uiso 1 1 calc R U . . .
C4 C 0.566(2) 0.081(2) 0.0813(11) 0.065(4) Uani 1 1 d . U . . .
H4A H 0.598704 0.097373 0.123710 0.097 Uiso 1 1 calc R U . . .
H4B H 0.560872 0.144484 0.046724 0.097 Uiso 1 1 calc R U . . .
H4C H 0.631120 0.003979 0.065263 0.097 Uiso 1 1 calc R U . . .
C1 C 0.294(3) -0.137(2) 0.1077(12) 0.069(4) Uani 1 1 d . U . . .
H1A H 0.246307 -0.069829 0.076126 0.103 Uiso 1 1 calc R U . . .
H1B H 0.235815 -0.132879 0.149058 0.103 Uiso 1 1 calc R U . . .
H1C H 0.312791 -0.212486 0.086095 0.103 Uiso 1 1 calc R U . . .
O9 O 0.937(2) 0.2368(17) 0.2668(10) 0.096(4) Uani 1 1 d . U . . .
C29 C 0.918(3) 0.819(2) 1.0961(14) 0.084(5) Uani 1 1 d . U . . .
H29A H 0.959147 0.836570 1.135482 0.127 Uiso 1 1 calc R U . . .
H29B H 0.826068 0.819043 1.109278 0.127 Uiso 1 1 calc R U . . .
H29C H 0.908971 0.880370 1.059575 0.127 Uiso 1 1 calc R U . . .
C26 C 1.078(3) 0.8229(19) 0.9287(14) 0.090(5) Uani 1 1 d D U . . .
H26A H 1.146588 0.833037 0.895220 0.135 Uiso 1 1 calc R U . . .
H26B H 1.058932 0.880660 0.964100 0.135 Uiso 1 1 calc R U . . .
H26C H 0.991742 0.836209 0.906023 0.135 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
Dy2 O5 2.313(9) . ?
Dy2 O13 2.338(8) . ?
Dy2 O6 2.344(10) . ?
Dy2 O2 2.353(9) . ?
Dy2 O12 2.389(11) . ?
Dy2 O5 2.403(9) 2_666 ?
Dy2 O3 2.447(10) . ?
Dy2 N4 2.532(11) . ?
Dy2 Dy3 3.6938(9) 2_666 ?
Dy2 Dy3 3.7443(9) . ?
Dy2 Dy1 3.8357(10) . ?
Dy2 Dy2 3.8539(13) 2_666 ?
Dy3 O2 2.295(10) . ?
Dy3 O10 2.303(10) . ?
Dy3 O1 2.315(9) . ?
Dy3 O5 2.352(9) 2_666 ?
Dy3 O8 2.394(10) . ?
Dy3 O13 2.446(9) 2_666 ?
Dy3 N2 2.492(10) . ?
Dy3 O11 2.505(12) . ?
Dy3 Dy1 3.7097(10) 2_666 ?
Dy1 O4 2.195(10) . ?
Dy1 O14 2.248(11) . ?
Dy1 O7 2.290(10) . ?
Dy1 O1 2.323(9) 2_666 ?
Dy1 O3 2.328(9) . ?
Dy1 O13 2.427(9) . ?
Dy1 N6 2.494(13) . ?
O3 C18 1.292(17) . ?
O1 C9 1.351(16) . ?
O2 C12 1.285(15) . ?
O7 C31 1.239(18) . ?
O10 C35 1.23(2) . ?
O6 C31 1.239(18) . ?
O4 C21 1.29(2) . ?
N4 C13 1.314(18) . ?
N4 C17 1.328(18) . ?
O8 H8A 0.9300 . ?
O8 H8B 0.9300 . ?
C34 C35 1.479(10) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
N2 C11 1.268(16) . ?
N2 N3 1.441(16) . ?
O12 C33 1.24(2) . ?
O14 H14A 0.9300 . ?
O14 H14B 0.9300 . ?
N6 C19 1.32(2) . ?
N6 N5 1.406(17) . ?
N5 C18 1.308(18) . ?
N5 H5 0.8600 . ?
N3 C12 1.140(18) . ?
N3 H3 0.8600 . ?
C12 C13 1.506(19) . ?
C8 C7 1.403(18) . ?
C8 C9 1.40(2) . ?
C8 C11 1.445(18) . ?
C7 C6 1.39(2) . ?
C7 H7 0.9300 . ?
C11 H11 0.9300 . ?
C13 C14 1.407(19) . ?
N1 C5 1.37(2) . ?
N1 C3 1.45(2) . ?
N1 C2 1.46(2) . ?
O11 C33 1.25(2) . ?
C5 C10 1.37(2) . ?
C5 C6 1.42(2) . ?
C19 C20 1.44(2) . ?
C19 H19 0.9300 . ?
C20 C25 1.40(2) . ?
C20 C21 1.41(3) . ?
C17 C16 1.414(19) . ?
C17 C18 1.507(18) . ?
C10 C9 1.41(2) . ?
C10 H10 0.9300 . ?
C33 C32 1.49(2) . ?
C14 C15 1.38(2) . ?
C14 H14 0.9300 . ?
C6 H6 0.9300 . ?
N7 C23 1.39(3) . ?
N7 C28 1.46(3) . ?
N7 C27 1.47(3) . ?
C31 C30 1.52(2) . ?
C22 C21 1.40(2) . ?
C22 C23 1.41(3) . ?
C22 H22 0.9300 . ?
C16 C15 1.39(2) . ?
C16 H16 0.9300 . ?
C23 C24 1.36(3) . ?
C25 C24 1.39(2) . ?
C25 H25 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C24 H24 0.9300 . ?
C15 H15 0.9300 . ?
C3 C4 1.50(3) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C35 O9 1.44(2) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C2 C1 1.52(3) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C27 C26 1.522(10) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 C29 1.42(3) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 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 Dy2 O13 77.0(3) . . ?
O5 Dy2 O6 149.2(4) . . ?
O13 Dy2 O6 100.3(3) . . ?
O5 Dy2 O2 85.0(3) . . ?
O13 Dy2 O2 158.0(3) . . ?
O6 Dy2 O2 101.6(3) . . ?
O5 Dy2 O12 136.1(4) . . ?
O13 Dy2 O12 80.1(4) . . ?
O6 Dy2 O12 71.6(4) . . ?
O2 Dy2 O12 105.4(4) . . ?
O5 Dy2 O5 70.4(4) . 2_666 ?
O13 Dy2 O5 91.9(3) . 2_666 ?
O6 Dy2 O5 140.3(3) . 2_666 ?
O2 Dy2 O5 70.0(3) . 2_666 ?
O12 Dy2 O5 73.6(4) . 2_666 ?
O5 Dy2 O3 77.4(3) . . ?
O13 Dy2 O3 62.2(3) . . ?
O6 Dy2 O3 74.5(3) . . ?
O2 Dy2 O3 126.0(3) . . ?
O12 Dy2 O3 122.6(4) . . ?
O5 Dy2 O3 142.6(3) 2_666 . ?
O5 Dy2 N4 78.8(3) . . ?
O13 Dy2 N4 124.2(3) . . ?
O6 Dy2 N4 77.8(3) . . ?
O2 Dy2 N4 62.8(3) . . ?
O12 Dy2 N4 144.2(4) . . ?
O5 Dy2 N4 125.0(3) 2_666 . ?
O3 Dy2 N4 63.9(3) . . ?
O5 Dy2 Dy3 38.0(2) . 2_666 ?
O13 Dy2 Dy3 40.5(2) . 2_666 ?
O6 Dy2 Dy3 126.2(2) . 2_666 ?
O2 Dy2 Dy3 123.0(2) . 2_666 ?
O12 Dy2 Dy3 116.9(3) . 2_666 ?
O5 Dy2 Dy3 86.7(2) 2_666 2_666 ?
O3 Dy2 Dy3 56.0(2) . 2_666 ?
N4 Dy2 Dy3 96.0(2) . 2_666 ?
O5 Dy2 Dy3 86.8(2) . . ?
O13 Dy2 Dy3 129.2(2) . . ?
O6 Dy2 Dy3 116.2(2) . . ?
O2 Dy2 Dy3 35.8(2) . . ?
O12 Dy2 Dy3 79.5(3) . . ?
O5 Dy2 Dy3 37.6(2) 2_666 . ?
O3 Dy2 Dy3 157.9(2) . . ?
N4 Dy2 Dy3 98.3(3) . . ?
Dy3 Dy2 Dy3 117.59(2) 2_666 . ?
O5 Dy2 Dy1 94.8(2) . . ?
O13 Dy2 Dy1 37.2(2) . . ?
O6 Dy2 Dy1 68.8(2) . . ?
O2 Dy2 Dy1 159.8(2) . . ?
O12 Dy2 Dy1 88.7(3) . . ?
O5 Dy2 Dy1 128.9(2) 2_666 . ?
O3 Dy2 Dy1 35.5(2) . . ?
N4 Dy2 Dy1 97.3(3) . . ?
Dy3 Dy2 Dy1 58.998(18) 2_666 . ?
Dy3 Dy2 Dy1 164.32(2) . . ?
O5 Dy2 Dy2 36.0(2) . 2_666 ?
O13 Dy2 Dy2 83.4(2) . 2_666 ?
O6 Dy2 Dy2 174.1(3) . 2_666 ?
O2 Dy2 Dy2 74.6(2) . 2_666 ?
O12 Dy2 Dy2 104.8(3) . 2_666 ?
O5 Dy2 Dy2 34.4(2) 2_666 2_666 ?
O3 Dy2 Dy2 111.4(2) . 2_666 ?
N4 Dy2 Dy2 103.9(2) . 2_666 ?
Dy3 Dy2 Dy2 59.44(2) 2_666 2_666 ?
Dy3 Dy2 Dy2 58.15(2) . 2_666 ?
Dy1 Dy2 Dy2 116.22(3) . 2_666 ?
O2 Dy3 O10 144.6(4) . . ?
O2 Dy3 O1 129.0(3) . . ?
O10 Dy3 O1 86.5(4) . . ?
O2 Dy3 O5 71.9(3) . 2_666 ?
O10 Dy3 O5 83.7(3) . 2_666 ?
O1 Dy3 O5 132.8(3) . 2_666 ?
O2 Dy3 O8 109.2(4) . . ?
O10 Dy3 O8 72.2(4) . . ?
O1 Dy3 O8 81.2(4) . . ?
O5 Dy3 O8 137.4(4) 2_666 . ?
O2 Dy3 O13 77.3(3) . 2_666 ?
O10 Dy3 O13 120.9(4) . 2_666 ?
O1 Dy3 O13 71.9(3) . 2_666 ?
O5 Dy3 O13 74.1(3) 2_666 2_666 ?
O8 Dy3 O13 148.4(3) . 2_666 ?
O2 Dy3 N2 63.1(3) . . ?
O10 Dy3 N2 143.8(3) . . ?
O1 Dy3 N2 72.4(3) . . ?
O5 Dy3 N2 132.1(3) 2_666 . ?
O8 Dy3 N2 75.7(4) . . ?
O13 Dy3 N2 80.6(3) 2_666 . ?
O2 Dy3 O11 68.9(4) . . ?
O10 Dy3 O11 79.2(4) . . ?
O1 Dy3 O11 150.7(4) . . ?
O5 Dy3 O11 71.2(4) 2_666 . ?
O8 Dy3 O11 70.2(4) . . ?
O13 Dy3 O11 137.3(4) 2_666 . ?
N2 Dy3 O11 105.2(4) . . ?
O2 Dy3 Dy2 78.6(2) . 2_666 ?
O10 Dy3 Dy2 97.4(3) . 2_666 ?
O1 Dy3 Dy2 99.4(2) . 2_666 ?
O5 Dy3 Dy2 37.3(2) 2_666 2_666 ?
O8 Dy3 Dy2 169.6(3) . 2_666 ?
O13 Dy3 Dy2 38.40(19) 2_666 2_666 ?
N2 Dy3 Dy2 114.4(2) . 2_666 ?
O11 Dy3 Dy2 107.7(3) . 2_666 ?
O2 Dy3 Dy1 115.6(2) . 2_666 ?
O10 Dy3 Dy1 92.2(3) . 2_666 ?
O1 Dy3 Dy1 37.0(2) . 2_666 ?
O5 Dy3 Dy1 97.4(2) 2_666 2_666 ?
O8 Dy3 Dy1 117.7(3) . 2_666 ?
O13 Dy3 Dy1 40.2(2) 2_666 2_666 ?
N2 Dy3 Dy1 88.1(2) . 2_666 ?
O11 Dy3 Dy1 166.3(3) . 2_666 ?
Dy2 Dy3 Dy1 62.407(19) 2_666 2_666 ?
O2 Dy3 Dy2 36.9(2) . . ?
O10 Dy3 Dy2 110.2(3) . . ?
O1 Dy3 Dy2 156.0(2) . . ?
O5 Dy3 Dy2 38.5(2) 2_666 . ?
O8 Dy3 Dy2 119.7(3) . . ?
O13 Dy3 Dy2 84.5(2) 2_666 . ?
N2 Dy3 Dy2 99.9(2) . . ?
O11 Dy3 Dy2 52.8(3) . . ?
Dy2 Dy3 Dy2 62.41(2) 2_666 . ?
Dy1 Dy3 Dy2 122.30(2) 2_666 . ?
O4 Dy1 O14 84.5(4) . . ?
O4 Dy1 O7 98.2(4) . . ?
O14 Dy1 O7 87.0(4) . . ?
O4 Dy1 O1 98.9(4) . 2_666 ?
O14 Dy1 O1 95.4(4) . 2_666 ?
O7 Dy1 O1 162.9(3) . 2_666 ?
O4 Dy1 O3 137.0(4) . . ?
O14 Dy1 O3 138.3(4) . . ?
O7 Dy1 O3 83.1(4) . . ?
O1 Dy1 O3 83.9(3) 2_666 . ?
O4 Dy1 O13 158.6(3) . . ?
O14 Dy1 O13 77.4(4) . . ?
O7 Dy1 O13 92.0(3) . . ?
O1 Dy1 O13 72.1(3) 2_666 . ?
O3 Dy1 O13 62.6(3) . . ?
O4 Dy1 N6 72.7(4) . . ?
O14 Dy1 N6 156.4(4) . . ?
O7 Dy1 N6 90.4(4) . . ?
O1 Dy1 N6 94.0(4) 2_666 . ?
O3 Dy1 N6 64.4(4) . . ?
O13 Dy1 N6 126.2(3) . . ?
O4 Dy1 Dy3 135.4(3) . 2_666 ?
O14 Dy1 Dy3 100.7(3) . 2_666 ?
O7 Dy1 Dy3 126.1(3) . 2_666 ?
O1 Dy1 Dy3 36.8(2) 2_666 2_666 ?
O3 Dy1 Dy3 56.0(2) . 2_666 ?
O13 Dy1 Dy3 40.6(2) . 2_666 ?
N6 Dy1 Dy3 99.8(3) . 2_666 ?
O4 Dy1 Dy2 163.9(3) . . ?
O14 Dy1 Dy2 101.5(3) . . ?
O7 Dy1 Dy2 67.6(3) . . ?
O1 Dy1 Dy2 95.4(2) 2_666 . ?
O3 Dy1 Dy2 37.6(2) . . ?
O13 Dy1 Dy2 35.6(2) . . ?
N6 Dy1 Dy2 99.1(3) . . ?
Dy3 Dy1 Dy2 58.594(17) 2_666 . ?
Dy2 O5 Dy3 104.7(3) . 2_666 ?
Dy2 O5 Dy2 109.6(4) . 2_666 ?
Dy3 O5 Dy2 103.9(3) 2_666 2_666 ?
C18 O3 Dy1 119.8(8) . . ?
C18 O3 Dy2 121.9(8) . . ?
Dy1 O3 Dy2 106.9(4) . . ?
Dy2 O13 Dy1 107.2(4) . . ?
Dy2 O13 Dy3 101.1(3) . 2_666 ?
Dy1 O13 Dy3 99.1(3) . 2_666 ?
C9 O1 Dy3 125.4(9) . . ?
C9 O1 Dy1 125.5(8) . 2_666 ?
Dy3 O1 Dy1 106.2(3) . 2_666 ?
C12 O2 Dy3 123.5(8) . . ?
C12 O2 Dy2 129.1(8) . . ?
Dy3 O2 Dy2 107.3(4) . . ?
C31 O7 Dy1 138.2(9) . . ?
C35 O10 Dy3 141.8(10) . . ?
C31 O6 Dy2 131.5(9) . . ?
C21 O4 Dy1 145.0(10) . . ?
C13 N4 C17 118.9(12) . . ?
C13 N4 Dy2 120.5(9) . . ?
C17 N4 Dy2 120.6(8) . . ?
Dy3 O8 H8A 120.0 . . ?
Dy3 O8 H8B 120.0 . . ?
H8A O8 H8B 120.0 . . ?
C35 C34 H34A 109.5 . . ?
C35 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C35 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C11 N2 N3 122.3(11) . . ?
C11 N2 Dy3 126.2(9) . . ?
N3 N2 Dy3 111.5(7) . . ?
C33 O12 Dy2 111.9(11) . . ?
Dy1 O14 H14A 120.0 . . ?
Dy1 O14 H14B 120.0 . . ?
H14A O14 H14B 120.0 . . ?
C19 N6 N5 111.6(12) . . ?
C19 N6 Dy1 130.6(11) . . ?
N5 N6 Dy1 117.8(8) . . ?
C18 N5 N6 110.1(11) . . ?
C18 N5 H5 125.0 . . ?
N6 N5 H5 125.0 . . ?
C12 N3 N2 117.4(12) . . ?
C12 N3 H3 121.3 . . ?
N2 N3 H3 121.3 . . ?
N3 C12 O2 122.5(13) . . ?
N3 C12 C13 123.4(12) . . ?
O2 C12 C13 113.1(11) . . ?
C7 C8 C9 117.9(12) . . ?
C7 C8 C11 118.1(12) . . ?
C9 C8 C11 123.9(11) . . ?
C6 C7 C8 122.8(13) . . ?
C6 C7 H7 118.6 . . ?
C8 C7 H7 118.6 . . ?
N2 C11 C8 126.5(12) . . ?
N2 C11 H11 116.7 . . ?
C8 C11 H11 116.7 . . ?
N4 C13 C14 122.8(13) . . ?
N4 C13 C12 114.2(12) . . ?
C14 C13 C12 122.8(12) . . ?
C5 N1 C3 120.9(13) . . ?
C5 N1 C2 122.2(14) . . ?
C3 N1 C2 116.9(13) . . ?
C33 O11 Dy3 135.8(11) . . ?
N1 C5 C10 121.7(15) . . ?
N1 C5 C6 119.6(14) . . ?
C10 C5 C6 118.6(14) . . ?
N6 C19 C20 124.6(16) . . ?
N6 C19 H19 117.7 . . ?
C20 C19 H19 117.7 . . ?
C25 C20 C21 119.8(15) . . ?
C25 C20 C19 115.0(16) . . ?
C21 C20 C19 125.1(16) . . ?
N4 C17 C16 123.3(12) . . ?
N4 C17 C18 113.5(11) . . ?
C16 C17 C18 123.2(13) . . ?
C5 C10 C9 122.7(14) . . ?
C5 C10 H10 118.6 . . ?
C9 C10 H10 118.6 . . ?
O1 C9 C8 122.6(12) . . ?
O1 C9 C10 118.4(12) . . ?
C8 C9 C10 118.9(12) . . ?
O12 C33 O11 120.1(16) . . ?
O12 C33 C32 118.7(17) . . ?
O11 C33 C32 121.1(17) . . ?
O3 C18 N5 126.3(12) . . ?
O3 C18 C17 116.2(12) . . ?
N5 C18 C17 117.5(12) . . ?
C15 C14 C13 118.4(14) . . ?
C15 C14 H14 120.8 . . ?
C13 C14 H14 120.8 . . ?
C7 C6 C5 118.8(13) . . ?
C7 C6 H6 120.6 . . ?
C5 C6 H6 120.6 . . ?
C23 N7 C28 123(2) . . ?
C23 N7 C27 122.7(19) . . ?
C28 N7 C27 112.1(18) . . ?
O7 C31 O6 125.2(14) . . ?
O7 C31 C30 118.5(14) . . ?
O6 C31 C30 116.3(14) . . ?
C21 C22 C23 122.5(19) . . ?
C21 C22 H22 118.7 . . ?
C23 C22 H22 118.7 . . ?
C15 C16 C17 116.9(14) . . ?
C15 C16 H16 121.5 . . ?
C17 C16 H16 121.5 . . ?
C24 C23 N7 122.0(19) . . ?
C24 C23 C22 117.7(17) . . ?
N7 C23 C22 120(2) . . ?
C24 C25 C20 120.2(18) . . ?
C24 C25 H25 119.9 . . ?
C20 C25 H25 119.9 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O4 C21 C22 120.9(17) . . ?
O4 C21 C20 121.5(14) . . ?
C22 C21 C20 117.7(16) . . ?
C23 C24 C25 122.0(18) . . ?
C23 C24 H24 119.0 . . ?
C25 C24 H24 119.0 . . ?
C14 C15 C16 119.6(14) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
N1 C3 C4 113.5(16) . . ?
N1 C3 H3A 108.9 . . ?
C4 C3 H3A 108.9 . . ?
N1 C3 H3B 108.9 . . ?
C4 C3 H3B 108.9 . . ?
H3A C3 H3B 107.7 . . ?
O10 C35 O9 127.5(16) . . ?
O10 C35 C34 97.6(13) . . ?
O9 C35 C34 133.5(17) . . ?
C33 C32 H32A 109.5 . . ?
C33 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C33 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N1 C2 C1 112.3(16) . . ?
N1 C2 H2A 109.1 . . ?
C1 C2 H2A 109.1 . . ?
N1 C2 H2B 109.1 . . ?
C1 C2 H2B 109.1 . . ?
H2A C2 H2B 107.9 . . ?
N7 C27 C26 98(2) . . ?
N7 C27 H27A 112.2 . . ?
C26 C27 H27A 112.2 . . ?
N7 C27 H27B 112.2 . . ?
C26 C27 H27B 112.2 . . ?
H27A C27 H27B 109.8 . . ?
C29 C28 N7 113(2) . . ?
C29 C28 H28A 109.1 . . ?
N7 C28 H28A 109.1 . . ?
C29 C28 H28B 109.1 . . ?
N7 C28 H28B 109.1 . . ?
H28A C28 H28B 107.8 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C26 H26A 109.5 . . ?
C27 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C27 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 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
C19 N6 N5 C18 176.7(14) . . . . ?
Dy1 N6 N5 C18 -5.6(16) . . . . ?
C11 N2 N3 C12 165.5(14) . . . . ?
Dy3 N2 N3 C12 -16.1(15) . . . . ?
N2 N3 C12 O2 12(2) . . . . ?
N2 N3 C12 C13 179.2(12) . . . . ?
Dy3 O2 C12 N3 0(2) . . . . ?
Dy2 O2 C12 N3 176.4(11) . . . . ?
Dy3 O2 C12 C13 -168.7(9) . . . . ?
Dy2 O2 C12 C13 7.7(17) . . . . ?
C9 C8 C7 C6 1(2) . . . . ?
C11 C8 C7 C6 -179.3(14) . . . . ?
N3 N2 C11 C8 164.4(13) . . . . ?
Dy3 N2 C11 C8 -14(2) . . . . ?
C7 C8 C11 N2 165.9(14) . . . . ?
C9 C8 C11 N2 -14(2) . . . . ?
C17 N4 C13 C14 4(2) . . . . ?
Dy2 N4 C13 C14 -173.4(11) . . . . ?
C17 N4 C13 C12 178.5(12) . . . . ?
Dy2 N4 C13 C12 0.8(16) . . . . ?
N3 C12 C13 N4 -173.4(14) . . . . ?
O2 C12 C13 N4 -4.8(18) . . . . ?
N3 C12 C13 C14 1(2) . . . . ?
O2 C12 C13 C14 169.4(14) . . . . ?
C3 N1 C5 C10 -11(3) . . . . ?
C2 N1 C5 C10 168.4(17) . . . . ?
C3 N1 C5 C6 167.2(17) . . . . ?
C2 N1 C5 C6 -14(3) . . . . ?
N5 N6 C19 C20 175.1(16) . . . . ?
Dy1 N6 C19 C20 -2(3) . . . . ?
N6 C19 C20 C25 -179.9(17) . . . . ?
N6 C19 C20 C21 -3(3) . . . . ?
C13 N4 C17 C16 -4(2) . . . . ?
Dy2 N4 C17 C16 173.7(11) . . . . ?
C13 N4 C17 C18 177.4(12) . . . . ?
Dy2 N4 C17 C18 -4.9(16) . . . . ?
N1 C5 C10 C9 -175.8(16) . . . . ?
C6 C5 C10 C9 6(2) . . . . ?
Dy3 O1 C9 C8 47.0(18) . . . . ?
Dy1 O1 C9 C8 -111.1(14) 2_666 . . . ?
Dy3 O1 C9 C10 -135.8(12) . . . . ?
Dy1 O1 C9 C10 66.1(16) 2_666 . . . ?
C7 C8 C9 O1 178.1(13) . . . . ?
C11 C8 C9 O1 -2(2) . . . . ?
C7 C8 C9 C10 1(2) . . . . ?
C11 C8 C9 C10 -179.1(14) . . . . ?
C5 C10 C9 O1 178.3(14) . . . . ?
C5 C10 C9 C8 -4(2) . . . . ?
Dy2 O12 C33 O11 5(2) . . . . ?
Dy2 O12 C33 C32 -170.5(14) . . . . ?
Dy3 O11 C33 O12 71(2) . . . . ?
Dy3 O11 C33 C32 -113.3(18) . . . . ?
Dy1 O3 C18 N5 15(2) . . . . ?
Dy2 O3 C18 N5 153.4(12) . . . . ?
Dy1 O3 C18 C17 -163.1(9) . . . . ?
Dy2 O3 C18 C17 -24.5(17) . . . . ?
N6 N5 C18 O3 -5(2) . . . . ?
N6 N5 C18 C17 172.4(12) . . . . ?
N4 C17 C18 O3 18.5(19) . . . . ?
C16 C17 C18 O3 -160.0(14) . . . . ?
N4 C17 C18 N5 -159.5(13) . . . . ?
C16 C17 C18 N5 22(2) . . . . ?
N4 C13 C14 C15 -1(2) . . . . ?
C12 C13 C14 C15 -174.7(14) . . . . ?
C8 C7 C6 C5 1(2) . . . . ?
N1 C5 C6 C7 177.6(16) . . . . ?
C10 C5 C6 C7 -4(2) . . . . ?
Dy1 O7 C31 O6 9(3) . . . . ?
Dy1 O7 C31 C30 -170.0(12) . . . . ?
Dy2 O6 C31 O7 27(2) . . . . ?
Dy2 O6 C31 C30 -153.2(12) . . . . ?
N4 C17 C16 C15 1(2) . . . . ?
C18 C17 C16 C15 178.9(14) . . . . ?
C28 N7 C23 C24 6(4) . . . . ?
C27 N7 C23 C24 167(2) . . . . ?
C28 N7 C23 C22 -171(2) . . . . ?
C27 N7 C23 C22 -10(4) . . . . ?
C21 C22 C23 C24 3(3) . . . . ?
C21 C22 C23 N7 -180(2) . . . . ?
C21 C20 C25 C24 1(3) . . . . ?
C19 C20 C25 C24 177.9(17) . . . . ?
Dy1 O4 C21 C22 -174.6(13) . . . . ?
Dy1 O4 C21 C20 6(3) . . . . ?
C23 C22 C21 O4 178.7(18) . . . . ?
C23 C22 C21 C20 -1(3) . . . . ?
C25 C20 C21 O4 179.2(17) . . . . ?
C19 C20 C21 O4 3(3) . . . . ?
C25 C20 C21 C22 -1(3) . . . . ?
C19 C20 C21 C22 -177.0(18) . . . . ?
N7 C23 C24 C25 -180(2) . . . . ?
C22 C23 C24 C25 -2(3) . . . . ?
C20 C25 C24 C23 0(3) . . . . ?
C13 C14 C15 C16 -3(2) . . . . ?
C17 C16 C15 C14 3(2) . . . . ?
C5 N1 C3 C4 85(2) . . . . ?
C2 N1 C3 C4 -94(2) . . . . ?
Dy3 O10 C35 O9 156.3(14) . . . . ?
Dy3 O10 C35 C34 -12(2) . . . . ?
C5 N1 C2 C1 94(2) . . . . ?
C3 N1 C2 C1 -87(2) . . . . ?
C23 N7 C27 C26 90(3) . . . . ?
C28 N7 C27 C26 -107(2) . . . . ?
C23 N7 C28 C29 -89(3) . . . . ?
C27 N7 C28 C29 108(3) . . . . ?

_refine_diff_density_max         6.627
_refine_diff_density_min         -3.451
_refine_diff_density_rms         0.372

####################################################################### 
# 
# 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_20230527-zhh-dy6_auto
_database_code_depnum_ccdc_archive 'CCDC 2283644'
loop_
_audit_author_name
_audit_author_address
'Zhong-Hong Zhu'
;Guangxi Normal University
China
;
_audit_update_record             
;
2023-07-22 deposited with the CCDC.	2023-09-18 downloaded from the CCDC.
;
_audit_creation_date             2023-07-17
# start Validation Reply Form
_vrf_PLAT260_20230527-zhh-dy6_auto 
;
PROBLEM: _ALERT_2_A Large Average Ueq of Residue Including       O17      1.095 Check
Large Average Ueq of Residue Including       O16      0.469 Check
RESPONSE: Disordered solvent molecules.
;
_vrf_PLAT342_20230527-zhh-dy6_auto 
;
PROBLEM: _ALERT_3_B Low Bond Precision on  C-C Bonds ...............     0.0325 Ang. 
RESPONSE: The carbon atoms of C-C bonds in the structure don't 
have large disorder. Considering the relatively large R(int) of the 
dataset, the alert is most likely caused by poor data quality.
;
_vrf_PLAT420_20230527-zhh-dy6_auto 
;
PROBLEM: _ALERT_2_B D-H Bond Without Acceptor  O8       --H8A      .     Please Check  
D-H Bond Without Acceptor  O8       --H8B      .     Please Check 
D-H Bond Without Acceptor  O14      --H14A     .     Please Check
D-H Bond Without Acceptor  O14      --H14B     .     Please Check 
RESPONSE: O8-H8A, O8-H8B, O14-H14A, O14--H14B are part of a water 
molecule that is likely disordered/on a partially occupied site.
;
# Added during the CSD deposition process: Wednesday May 04 2023 11:10 AM
# end Validation Reply Form

_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         'C70 H70 Dy5.988 N10 O28, 6(C H4 O)'
_chemical_formula_sum            'C76 H94 Dy5.99 N10 O34'
_chemical_formula_weight         2664.98
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H N O 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                   11.4673(8)
_cell_length_b                   14.0210(7)
_cell_length_c                   14.7578(6)
_cell_angle_alpha                106.670(4)
_cell_angle_beta                 90.919(5)
_cell_angle_gamma                96.016(5)
_cell_volume                     2257.9(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    13179
_cell_measurement_temperature    296.55(10)
_cell_measurement_theta_max      74.8480
_cell_measurement_theta_min      3.1100
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    26.758
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.21919
_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            yellow
_exptl_crystal_density_diffrn    1.960
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1287
_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  0.1266
_diffrn_reflns_av_unetI/netI     0.0708
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.919
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            35481
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.919
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.650
_diffrn_reflns_theta_min         3.130
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      296.55(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.919
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -68.00  31.00   0.50    2.00    --  -43.70  67.00-147.00  198
  2  ω   -117.00 -19.00   0.50    2.00    --  -43.70 -67.00  78.00  196
  3  ω     19.00 117.00   0.50    2.00    --   43.70  67.00-147.00  196
  4  ω   -170.00 -71.00   0.50    6.25    --  -96.00 -67.00  78.00  198
  5  ω    -81.00 -22.00   0.50    6.25    --  -96.00  67.00-147.00  118
  6  ω     85.00 178.00   0.50    6.25    --  109.23  67.00-147.00  186
  7  ω     35.00  81.00   0.50    6.25    --  109.23 -67.00  78.00   92
  8  ω    -27.00  37.00   0.50    2.00    --  -43.70  19.00 -60.00  128
  9  ω    -86.00 -13.00   0.50    2.00    --  -43.70 125.00  90.00  146
 10  ω    -42.00  34.00   0.50    2.00    --  -43.70  37.00   0.00  152
 11  ω    -36.00  27.00   0.50    2.00    --   43.70 -19.00  90.00  126
 12  ω    -29.00  68.00   0.50    2.00    --   43.70 -67.00  78.00  194
 13  ω     34.00  97.00   0.50    2.00    --   43.70-125.00 -60.00  126
 14  ω    -86.00 -22.00   0.50    6.25    --  -96.00 125.00 150.00  128
 15  ω   -172.00 -74.00   0.50    6.25    --  -96.00 -45.00 150.00  196
 16  ω   -171.00 -73.00   0.50    6.25    --  -96.00 -49.00 122.22  196
 17  ω    -86.00 -22.00   0.50    6.25    --  -96.00 125.00  60.00  128
 18  ω   -168.00 -73.00   0.50    6.25    --  -96.00-125.00 150.00  190
 19  ω    -51.00 -20.00   0.50    6.25    --  -96.00  45.00 -30.00   62
 20  ω    -51.00 -20.00   0.50    6.25    --  -96.00  45.00  30.00   62
 21  ω   -170.00 -74.00   0.50    6.25    --  -96.00 -56.00  42.37  192
 22  ω   -168.00 -73.00   0.50    6.25    --  -96.00-125.00-150.00  190
 23  ω   -170.00 -70.00   0.50    6.25    --  -96.00 -70.00 -22.86  200
 24  ω    -51.00 -20.00   0.50    6.25    --  -96.00  45.00  60.00   62
 25  ω    -51.00 -20.00   0.50    6.25    --  -96.00  45.00 -60.00   62
 26  ω     36.00 105.00   0.50    6.25    --  109.23 -94.00  30.00  138
 27  ω     36.00 112.00   0.50    6.25    --  109.23-125.00-150.00  152
 28  ω     36.00 105.00   0.50    6.25    --  109.23 -94.00-120.00  138
 29  ω     36.00 112.00   0.50    6.25    --  109.23-125.00 -60.00  152
 30  ω     95.00 178.00   0.50    6.25    --  109.23 125.00 120.00  166
 31  ω     36.00 105.00   0.50    6.25    --  109.23 -94.00  90.00  138
 32  ω     36.00 105.00   0.50    6.25    --  109.23 -94.00 -60.00  138
 33  ω     36.00 112.00   0.50    6.25    --  109.23-125.00  30.00  152
 34  ω     95.00 178.00   0.50    6.25    --  109.23 125.00 -30.00  166
 35  ω     42.00 122.00   0.50    6.25    --  109.23-139.00  94.32  160
 36  ω     36.00 112.00   0.50    6.25    --  109.23-125.00-120.00  152
 37  ω     35.00  71.00   0.50    6.25    --  109.23 -61.00-150.00   72
 38  ω     36.00 112.00   0.50    6.25    --  109.23-125.00-180.00  152
 39  ω   -117.00 -15.00   0.50    2.00    --  -43.70 -77.00-180.00  204
 40  ω   -117.00 -52.00   0.50    2.00    --  -43.70 -57.00-120.00  130
 41  ω     15.00 117.00   0.50    2.00    --   43.70  77.00  30.00  204
 42  ω     15.00 117.00   0.50    2.00    --   43.70  77.00 -60.00  204
;
_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      0.0453609000
_diffrn_orient_matrix_UB_12      -0.0921548000
_diffrn_orient_matrix_UB_13      -0.0686641000
_diffrn_orient_matrix_UB_21      -0.0775640000
_diffrn_orient_matrix_UB_22      -0.0693052000
_diffrn_orient_matrix_UB_23      0.0446058000
_diffrn_orient_matrix_UB_31      -0.1010806000
_diffrn_orient_matrix_UB_32      -0.0058098000
_diffrn_orient_matrix_UB_33      -0.0720992000
_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                7103
_reflns_number_total             8747
_reflns_odcompleteness_completeness 99.39
_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 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         4.641
_refine_diff_density_min         -2.268
_refine_diff_density_rms         0.291
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         8747
_refine_ls_number_restraints     92
_refine_ls_R_factor_all          0.1303
_refine_ls_R_factor_gt           0.1098
_refine_ls_restrained_S_all      1.096
_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)+(0.1485P)²+69.0011P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2948
_refine_ls_wR_factor_ref         0.3115
_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
 H16_$1-H31B
 2.15 with sigma of 0.01
 O15-C37
 1.41 with sigma of 0.01
 H14-H38C_$2
 2.15 with sigma of 0.01
 C30-O17
 1.42 with sigma of 0.01
 H31A_$1-H2
 2.15 with sigma of 0.01
 H19-H31A_$1
 2.15 with sigma of 0.01
 H17-H31B
 2.15 with sigma of 0.01
 H38B_$2-H11
 2.15 with sigma of 0.01
 H38B-H4_$2
 2.15 with sigma of 0.01
 H37C-H38A_$3
 2.15 with sigma of 0.01
 O13-C38
 2.15 with sigma of 0.01
 C38-O13
 2 with sigma of 0.01
 H16A-H36A_$4
 2.15 with sigma of 0.01
3. Rigid bond restraints
 C4, C10
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 O17
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 O17, O16
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(C10) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C3)
\\sim Ueq: with sigma of 0.05 and sigma for terminal atoms of 0.1
Uanis(O16) \\sim Ueq, Uanis(O15) \\sim Ueq, Uanis(C31) \\sim Ueq: with sigma of
0.05 and sigma for terminal atoms of 0.1
Uanis(O15) \\sim Ueq, Uanis(C31) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C38) \\sim Ueq, Uanis(C37) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C30) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C34) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N4) \\sim Ueq: with sigma of 0.05 and sigma for terminal atoms of 0.1
Uanis(N4) \\sim Ueq, Uanis(C14) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O17) \\sim Ueq: with sigma of 0.00005 and sigma for terminal atoms of
0.0001
Uanis(O8) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
5.a Rotating group:
 O14(H14A,H14B)
5.b Aromatic/amide H refined with riding coordinates:
 N4(H4), N2(H2), C16(H16), C19(H19), C15(H15), C23(H23), C14(H14), C29(H29),
 C26(H26), C10(H10), C9(H9), C22(H22), C3(H3), C6(H6), C27(H27), C28(H28),
 C2(H2A), C1(H1), C11(H11)
5.c Tetrahedral OH refined with riding coordinates:
 O16(H16A), O15(H15A), O17(H17)
5.d X=CH2 refined with riding coordinates:
 O8(H8A,H8B)
5.e Idealised Me refined as rotating group:
 C36(H36A,H36B,H36C), C32(H32A,H32B,H32C), C38(H38A,H38B,H38C), C34(H34A,H34B,
 H34C), C37(H37A,H37B,H37C), C31(H31A,H31B,H31C), C30(H30A,H30B,H30C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy2 Dy 0.53393(9) 0.63069(7) 0.48163(7) 0.0360(3) Uani 1 1 d . . . . .
Dy3 Dy 0.72138(10) 0.80817(8) 0.68659(7) 0.0426(3) Uani 1 1 d . . . . .
Dy1 Dy 0.49546(10) 0.38670(7) 0.26812(7) 0.0401(4) Uani 0.994(6) 1 d . . . A 1
O2 O 0.4669(12) 0.5559(9) 0.3234(8) 0.044(3) Uani 1 1 d . . . . .
O10 O 0.4214(10) 0.5396(8) 0.5678(8) 0.036(2) Uani 1 1 d . . . . .
O11 O 0.7308(11) 0.6442(9) 0.4318(9) 0.044(3) Uani 1 1 d . . . . .
O3 O 0.5997(11) 0.7991(8) 0.5528(8) 0.039(3) Uani 1 1 d . . . . .
O1 O 0.3436(13) 0.2650(9) 0.1871(8) 0.048(3) Uani 1 1 d . . . . .
O6 O 0.5427(16) 0.2472(11) 0.3010(10) 0.065(4) Uani 1 1 d . . . . .
O9 O 0.6433(11) 0.6378(8) 0.6217(9) 0.042(3) Uani 1 1 d . . . . .
O7 O 0.4361(14) 0.1024(12) 0.2446(11) 0.061(4) Uani 1 1 d . . . . .
O5 O 0.5877(16) 0.3072(13) 0.1256(11) 0.072(4) Uani 1 1 d . . . . .
O12 O 0.8389(12) 0.7568(12) 0.5496(11) 0.061(4) Uani 1 1 d . . . . .
O4 O 0.8498(14) 0.9245(12) 0.7787(11) 0.066(4) Uani 1 1 d . . . . .
N5 N 0.7385(15) 0.9607(12) 0.6289(11) 0.049(4) Uani 1 1 d . . . . .
N4 N 0.6843(14) 0.9466(10) 0.5404(11) 0.051(4) Uani 1 1 d . U . . .
H4 H 0.697002 0.989152 0.508742 0.061 Uiso 1 1 calc R U . . .
N1 N 0.3947(15) 0.4525(11) 0.1537(10) 0.046(4) Uani 1 1 d . . . . .
N3 N 0.5212(13) 0.7470(10) 0.3786(10) 0.038(3) Uani 1 1 d . . . . .
N2 N 0.4025(17) 0.5574(11) 0.1764(11) 0.055(4) Uani 1 1 d . . . . .
H2 H 0.382817 0.588906 0.137378 0.066 Uiso 1 1 calc DR U . . .
O13 O 0.3422(14) 0.6880(9) 0.4920(11) 0.065(4) Uani 1 1 d D . . . .
C17 C 0.4672(17) 0.7132(14) 0.2925(14) 0.048(4) Uani 1 1 d . . . . .
O8 O 0.6838(18) 0.4722(18) 0.2565(15) 0.097(6) Uani 1 1 d . U . . .
H8A H 0.751574 0.444315 0.265398 0.145 Uiso 1 1 calc R U . A 1
H8B H 0.689183 0.533372 0.243104 0.145 Uiso 1 1 calc R U . A 1
C13 C 0.5566(16) 0.8419(14) 0.4150(12) 0.043(4) Uani 1 1 d . . . . .
C8 C 0.8710(19) 1.0231(16) 0.8126(16) 0.058(5) Uani 1 1 d . . . . .
C33 C 0.5325(19) 0.1531(14) 0.2616(14) 0.049(5) Uani 1 1 d . . . . .
C16 C 0.4476(17) 0.7743(14) 0.2404(14) 0.046(4) Uani 1 1 d . . . . .
H16 H 0.414710 0.747983 0.179123 0.056 Uiso 1 1 calc R U . . .
C20 C 0.3177(18) 0.2999(13) 0.0381(13) 0.047(4) Uani 1 1 d . . . . .
C19 C 0.3403(18) 0.4044(14) 0.0760(13) 0.049(5) Uani 1 1 d . . . . .
H19 H 0.312305 0.442577 0.039980 0.058 Uiso 1 1 calc DR U . . .
O14 O 0.880(2) 0.7146(18) 0.7197(18) 0.112(8) Uani 1 1 d . . . . .
H14A H 0.920610 0.726193 0.772105 0.168 Uiso 1 1 d R U . . .
H14B H 0.906199 0.663065 0.681766 0.168 Uiso 1 1 d R U . . .
C36 C 0.929(2) 0.688(2) 0.4100(19) 0.081(8) Uani 1 1 d . . . . .
H36A H 0.962294 0.627144 0.409349 0.122 Uiso 1 1 calc R U . . .
H36B H 0.986507 0.744301 0.437284 0.122 Uiso 1 1 calc R U . . .
H36C H 0.907972 0.685882 0.346389 0.122 Uiso 1 1 calc R U . . .
C15 C 0.4760(18) 0.8759(13) 0.2775(14) 0.048(5) Uani 1 1 d . . . . .
H15 H 0.453747 0.918560 0.244026 0.058 Uiso 1 1 calc R U . . .
C23 C 0.245(2) 0.0934(16) -0.0402(13) 0.057(5) Uani 1 1 d . . . . .
H23 H 0.218588 0.025533 -0.063231 0.068 Uiso 1 1 calc R U . . .
C21 C 0.3137(18) 0.2349(14) 0.0951(12) 0.046(4) Uani 1 1 d . . . . .
C14 C 0.5392(17) 0.9170(14) 0.3668(14) 0.053(5) Uani 1 1 d . U . . .
H14 H 0.566314 0.984657 0.391541 0.063 Uiso 1 1 calc DR U . . .
C12 C 0.6169(16) 0.8692(13) 0.5107(13) 0.042(4) Uani 1 1 d . . . . .
C24 C 0.2446(18) 0.1557(15) -0.1022(13) 0.048(4) Uani 1 1 d . . . . .
C5 C 0.8800(18) 1.1925(17) 0.8014(16) 0.059(6) Uani 1 1 d . . . . .
C25 C 0.2807(17) 0.2593(14) -0.0628(13) 0.047(4) Uani 1 1 d . . . . .
C35 C 0.8234(19) 0.6959(17) 0.4674(17) 0.057(5) Uani 1 1 d . . . . .
C29 C 0.208(2) 0.119(2) -0.1970(15) 0.064(6) Uani 1 1 d . . . . .
H29 H 0.181606 0.051081 -0.221769 0.077 Uiso 1 1 calc R U . . .
C26 C 0.288(2) 0.3192(19) -0.1248(15) 0.062(6) Uani 1 1 d . . . . .
H26 H 0.318425 0.386410 -0.103944 0.074 Uiso 1 1 calc R U . . .
C10 C 0.963(2) 1.161(2) 0.9371(19) 0.084(7) Uani 1 1 d . U . . .
H10 H 1.002803 1.185298 0.995971 0.101 Uiso 1 1 calc R U . . .
C9 C 0.931(2) 1.0589(19) 0.9015(17) 0.067(6) Uani 1 1 d . . . . .
H9 H 0.949366 1.015266 0.935375 0.080 Uiso 1 1 calc R U . . .
C22 C 0.283(2) 0.1319(16) 0.0499(15) 0.057(5) Uani 1 1 d . . . . .
H22 H 0.289799 0.087626 0.085579 0.068 Uiso 1 1 calc R U . . .
C3 C 0.975(2) 1.333(2) 0.929(2) 0.090(9) Uani 1 1 d . U . . .
H3 H 1.014912 1.356651 0.987259 0.108 Uiso 1 1 calc R U . . .
C32 C 0.643(2) 0.1053(18) 0.232(2) 0.077(7) Uani 1 1 d . . . . .
H32A H 0.677827 0.131336 0.183871 0.115 Uiso 1 1 calc R U . . .
H32B H 0.623703 0.034049 0.206941 0.115 Uiso 1 1 calc R U . . .
H32C H 0.696928 0.120009 0.285534 0.115 Uiso 1 1 calc R U . . .
C6 C 0.856(2) 1.2657(17) 0.7554(17) 0.068(6) Uani 1 1 d . . . . .
H6 H 0.815533 1.243711 0.696478 0.081 Uiso 1 1 calc R U . . .
C7 C 0.8476(18) 1.0882(17) 0.7619(16) 0.061(6) Uani 1 1 d . . . . .
C27 C 0.248(2) 0.2732(18) -0.2203(14) 0.061(6) Uani 1 1 d . . . . .
H27 H 0.247646 0.312637 -0.261352 0.073 Uiso 1 1 calc R U . . .
C4 C 0.938(2) 1.229(2) 0.8895(17) 0.069(6) Uani 1 1 d . U . . .
C28 C 0.211(2) 0.1776(18) -0.2532(16) 0.071(7) Uani 1 1 d . . . . .
H28 H 0.186062 0.150719 -0.316592 0.085 Uiso 1 1 calc R U . . .
C2 C 0.951(3) 1.399(2) 0.880(2) 0.094(9) Uani 1 1 d . . . . .
H2A H 0.976949 1.466824 0.905328 0.113 Uiso 1 1 calc R U . . .
C1 C 0.888(3) 1.367(2) 0.794(2) 0.086(9) Uani 1 1 d . . . . .
H1 H 0.868641 1.412748 0.762486 0.103 Uiso 1 1 calc R U . . .
C38 C 0.297(3) 0.8318(13) 0.511(3) 0.147(14) Uani 1 1 d D U . . .
H38A H 0.213076 0.829131 0.503677 0.221 Uiso 1 1 calc R U . . .
H38B H 0.333099 0.859339 0.464229 0.221 Uiso 1 1 calc DR U . . .
H38C H 0.323290 0.873220 0.572983 0.221 Uiso 1 1 calc R U . . .
C11 C 0.782(2) 1.0513(16) 0.6695(13) 0.059(6) Uani 1 1 d . . . . .
H11 H 0.770805 1.098267 0.637631 0.070 Uiso 1 1 calc DR U . . .
C34 C 0.818(4) 0.497(3) 0.583(3) 0.127(13) Uani 1 1 d . U . . .
H34A H 0.790660 0.559415 0.582245 0.191 Uiso 1 1 calc R U . . .
H34B H 0.870342 0.508229 0.637277 0.191 Uiso 1 1 calc R U . . .
H34C H 0.751740 0.450280 0.586511 0.191 Uiso 1 1 calc R U . . .
O16 O 0.901(8) 0.442(6) 0.465(7) 0.47(6) Uani 1 1 d . U . . .
H16A H 0.957337 0.415304 0.477684 0.701 Uiso 1 1 calc DR U . . .
O15 O 1.055(3) 0.871(4) 0.622(3) 0.199(16) Uani 1 1 d D U . . .
H15A H 1.015843 0.882707 0.669003 0.299 Uiso 1 1 calc R U . . .
C37 C 1.019(9) 0.923(7) 0.560(7) 0.36(6) Uani 1 1 d D U . . .
H37A H 0.999383 0.986968 0.595260 0.536 Uiso 1 1 calc R U . . .
H37B H 0.952099 0.884773 0.521388 0.536 Uiso 1 1 calc R U . . .
H37C H 1.082162 0.931119 0.519286 0.536 Uiso 1 1 calc DR U . . .
C31 C 0.676(5) 0.377(3) 0.0170(15) 0.23(3) Uani 1 1 d . U . . .
H31A H 0.636198 0.432034 0.012202 0.342 Uiso 1 1 calc R U . . .
H31B H 0.672379 0.327140 -0.043624 0.342 Uiso 1 1 calc DR U . . .
H31C H 0.756734 0.399963 0.037177 0.342 Uiso 1 1 calc R U . . .
C30 C 0.574(5) 0.106(4) -0.017(4) 0.19(2) Uani 1 1 d D U . . .
H30A H 0.625348 0.060388 -0.051394 0.283 Uiso 1 1 calc R U . . .
H30B H 0.503800 0.101312 -0.054996 0.283 Uiso 1 1 calc R U . . .
H30C H 0.553355 0.088800 0.040048 0.283 Uiso 1 1 calc R U . . .
C18 C 0.4421(18) 0.6009(13) 0.2614(12) 0.044(4) Uani 1 1 d . . . . .
O17 O 0.63(3) 0.205(12) 0.008(6) 2.000(3) Uani 1 1 d D U . . .
H17 H 0.591378 0.243026 0.044263 3.000 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
Dy2 Dy2 3.8584(18) 2_666 ?
Dy2 Dy3 3.7833(14) . ?
Dy2 Dy1 3.7884(14) 2_666 ?
Dy2 Dy1 3.9091(14) . ?
Dy2 O2 2.348(11) . ?
Dy2 O10 2.400(11) 2_666 ?
Dy2 O10 2.357(11) . ?
Dy2 O11 2.391(12) . ?
Dy2 O3 2.329(11) . ?
Dy2 O9 2.373(12) . ?
Dy2 N3 2.542(14) . ?
Dy2 O13 2.411(15) . ?
Dy3 Dy1 3.7110(15) 2_666 ?
Dy3 O3 2.365(12) . ?
Dy3 O1 2.462(12) 2_666 ?
Dy3 O9 2.374(11) . ?
Dy3 O7 2.381(16) 2_666 ?
Dy3 O12 2.424(15) . ?
Dy3 O4 2.199(14) . ?
Dy3 N5 2.510(17) . ?
Dy3 O14 2.47(2) . ?
Dy1 O2 2.337(12) . ?
Dy1 O10 2.475(11) 2_666 ?
Dy1 O1 2.348(13) . ?
Dy1 O6 2.261(14) . ?
Dy1 O9 2.363(13) 2_666 ?
Dy1 O5 2.400(16) . ?
Dy1 N1 2.468(16) . ?
Dy1 O8 2.39(2) . ?
O2 C18 1.29(2) . ?
O11 C35 1.24(3) . ?
O3 C12 1.31(2) . ?
O1 C21 1.33(2) . ?
O6 C33 1.27(2) . ?
O7 C33 1.23(3) . ?
O5 C31 2.30(3) . ?
O12 C35 1.26(3) . ?
O4 C8 1.32(3) . ?
N5 N4 1.39(2) . ?
N5 C11 1.28(2) . ?
N4 H4 0.8600 . ?
N4 C12 1.23(2) . ?
N1 N2 1.40(2) . ?
N1 C19 1.27(2) . ?
N3 C17 1.34(2) . ?
N3 C13 1.30(2) . ?
N2 H2 0.8600 . ?
N2 C18 1.28(2) . ?
O13 C38 2.077(7) . ?
C17 C16 1.34(3) . ?
C17 C18 1.50(2) . ?
O8 H8A 0.9300 . ?
O8 H8B 0.9300 . ?
C13 C14 1.46(3) . ?
C13 C12 1.49(2) . ?
C8 C9 1.40(3) . ?
C8 C7 1.38(3) . ?
C33 C32 1.51(3) . ?
C16 H16 0.9300 . ?
C16 C15 1.37(3) . ?
C20 C19 1.41(3) . ?
C20 C21 1.41(3) . ?
C20 C25 1.47(2) . ?
C19 H19 0.9300 . ?
O14 H14A 0.8643 . ?
O14 H14B 0.8650 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C36 C35 1.49(3) . ?
C15 H15 0.9300 . ?
C15 C14 1.43(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.43(3) . ?
C23 C22 1.33(3) . ?
C21 C22 1.41(3) . ?
C14 H14 0.9300 . ?
C24 C25 1.42(3) . ?
C24 C29 1.38(3) . ?
C5 C6 1.43(4) . ?
C5 C7 1.42(3) . ?
C5 C4 1.38(3) . ?
C25 C26 1.41(3) . ?
C29 H29 0.9300 . ?
C29 C28 1.33(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.42(3) . ?
C10 H10 0.9300 . ?
C10 C9 1.38(4) . ?
C10 C4 1.38(4) . ?
C9 H9 0.9300 . ?
C22 H22 0.9300 . ?
C3 H3 0.9300 . ?
C3 C4 1.43(4) . ?
C3 C2 1.37(5) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C6 H6 0.9300 . ?
C6 C1 1.38(3) . ?
C7 C11 1.48(3) . ?
C27 H27 0.9300 . ?
C27 C28 1.31(3) . ?
C28 H28 0.9300 . ?
C2 H2A 0.9300 . ?
C2 C1 1.38(4) . ?
C1 H1 0.9300 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C11 H11 0.9300 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C34 O16 2.00(11) . ?
O16 H16A 0.8200 . ?
O15 H15A 0.8200 . ?
O15 C37 1.412(10) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C30 O17 1.420(10) . ?
O17 H17 0.8200 . ?

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 Dy2 Dy1 58.38(3) 2_666 . ?
Dy3 Dy2 Dy2 111.34(4) . 2_666 ?
Dy3 Dy2 Dy1 58.70(3) . 2_666 ?
Dy3 Dy2 Dy1 149.62(4) . . ?
Dy1 Dy2 Dy2 61.48(3) 2_666 2_666 ?
Dy1 Dy2 Dy1 119.86(3) 2_666 . ?
O2 Dy2 Dy2 87.0(3) . 2_666 ?
O2 Dy2 Dy3 157.3(3) . . ?
O2 Dy2 Dy1 143.9(3) . 2_666 ?
O2 Dy2 Dy1 33.4(3) . . ?
O2 Dy2 O10 104.5(4) . . ?
O2 Dy2 O10 70.6(4) . 2_666 ?
O2 Dy2 O11 89.7(5) . . ?
O2 Dy2 O9 153.6(4) . . ?
O2 Dy2 N3 63.3(4) . . ?
O2 Dy2 O13 81.7(5) . . ?
O10 Dy2 Dy2 35.4(3) 2_666 2_666 ?
O10 Dy2 Dy2 36.2(3) . 2_666 ?
O10 Dy2 Dy3 116.5(3) 2_666 . ?
O10 Dy2 Dy3 98.1(3) . . ?
O10 Dy2 Dy1 39.5(3) . 2_666 ?
O10 Dy2 Dy1 89.4(3) 2_666 2_666 ?
O10 Dy2 Dy1 37.4(3) 2_666 . ?
O10 Dy2 Dy1 87.2(3) . . ?
O10 Dy2 O10 71.6(5) . 2_666 ?
O10 Dy2 O11 137.6(4) . . ?
O10 Dy2 O9 71.2(4) . . ?
O10 Dy2 N3 143.4(4) . . ?
O10 Dy2 N3 127.0(4) 2_666 . ?
O10 Dy2 O13 73.3(4) . . ?
O10 Dy2 O13 127.3(4) 2_666 . ?
O11 Dy2 Dy2 107.7(3) . 2_666 ?
O11 Dy2 Dy3 72.3(3) . . ?
O11 Dy2 Dy1 115.2(3) . 2_666 ?
O11 Dy2 Dy1 83.6(3) . . ?
O11 Dy2 O10 76.3(4) . 2_666 ?
O11 Dy2 N3 78.6(5) . . ?
O11 Dy2 O13 149.0(4) . . ?
O3 Dy2 Dy2 145.9(3) . 2_666 ?
O3 Dy2 Dy3 36.6(3) . . ?
O3 Dy2 Dy1 153.2(3) . . ?
O3 Dy2 Dy1 85.6(3) . 2_666 ?
O3 Dy2 O2 127.1(4) . . ?
O3 Dy2 O10 119.5(4) . . ?
O3 Dy2 O10 148.0(4) . 2_666 ?
O3 Dy2 O11 77.4(4) . . ?
O3 Dy2 O9 73.6(4) . . ?
O3 Dy2 N3 63.8(4) . . ?
O3 Dy2 O13 84.2(4) . . ?
O9 Dy2 Dy2 74.5(3) . 2_666 ?
O9 Dy2 Dy3 37.2(3) . . ?
O9 Dy2 Dy1 36.8(3) . 2_666 ?
O9 Dy2 Dy1 120.9(3) . . ?
O9 Dy2 O10 83.5(4) . 2_666 ?
O9 Dy2 O11 78.5(4) . . ?
O9 Dy2 N3 135.0(4) . . ?
O9 Dy2 O13 119.9(5) . . ?
N3 Dy2 Dy2 149.9(3) . 2_666 ?
N3 Dy2 Dy3 98.7(3) . . ?
N3 Dy2 Dy1 143.5(3) . 2_666 ?
N3 Dy2 Dy1 94.3(3) . . ?
O13 Dy2 Dy2 101.6(3) . 2_666 ?
O13 Dy2 Dy3 106.4(4) . . ?
O13 Dy2 Dy1 103.8(4) . . ?
O13 Dy2 Dy1 87.7(4) . 2_666 ?
O13 Dy2 N3 70.8(5) . . ?
Dy1 Dy3 Dy2 60.72(3) 2_666 . ?
O3 Dy3 Dy2 36.0(3) . . ?
O3 Dy3 Dy1 86.9(3) . 2_666 ?
O3 Dy3 O1 122.9(4) . 2_666 ?
O3 Dy3 O9 73.0(4) . . ?
O3 Dy3 O7 77.4(5) . 2_666 ?
O3 Dy3 O12 73.5(5) . . ?
O3 Dy3 N5 63.9(4) . . ?
O3 Dy3 O14 135.4(7) . . ?
O1 Dy3 Dy2 98.9(3) 2_666 . ?
O1 Dy3 Dy1 38.4(3) 2_666 2_666 ?
O1 Dy3 N5 146.4(5) 2_666 . ?
O1 Dy3 O14 72.8(7) 2_666 . ?
O9 Dy3 Dy2 37.1(3) . . ?
O9 Dy3 Dy1 38.3(3) . 2_666 ?
O9 Dy3 O1 69.3(4) . 2_666 ?
O9 Dy3 O7 107.1(5) . 2_666 ?
O9 Dy3 O12 78.7(5) . . ?
O9 Dy3 N5 135.2(4) . . ?
O9 Dy3 O14 76.4(6) . . ?
O7 Dy3 Dy2 94.7(4) 2_666 . ?
O7 Dy3 Dy1 75.8(4) 2_666 2_666 ?
O7 Dy3 O1 74.7(5) 2_666 2_666 ?
O7 Dy3 O12 147.1(5) 2_666 . ?
O7 Dy3 N5 75.5(5) 2_666 . ?
O7 Dy3 O14 143.5(7) 2_666 . ?
O12 Dy3 Dy2 70.1(4) . . ?
O12 Dy3 Dy1 116.9(4) . 2_666 ?
O12 Dy3 O1 135.0(5) . 2_666 ?
O12 Dy3 N5 78.2(6) . . ?
O12 Dy3 O14 69.3(7) . . ?
O4 Dy3 Dy2 166.2(4) . . ?
O4 Dy3 Dy1 133.1(4) . 2_666 ?
O4 Dy3 O3 134.4(5) . . ?
O4 Dy3 O1 94.8(5) . 2_666 ?
O4 Dy3 O9 151.1(5) . . ?
O4 Dy3 O7 90.7(6) . 2_666 ?
O4 Dy3 O12 98.8(6) . . ?
O4 Dy3 N5 70.5(5) . . ?
O4 Dy3 O14 75.9(7) . . ?
N5 Dy3 Dy2 98.5(3) . . ?
N5 Dy3 Dy1 142.6(4) . 2_666 ?
O14 Dy3 Dy2 106.3(6) . . ?
O14 Dy3 Dy1 88.7(6) . 2_666 ?
O14 Dy3 N5 128.3(7) . . ?
Dy2 Dy1 Dy2 60.14(3) 2_666 . ?
Dy3 Dy1 Dy2 111.79(3) 2_666 . ?
Dy3 Dy1 Dy2 60.59(3) 2_666 2_666 ?
O2 Dy1 Dy2 33.5(3) . . ?
O2 Dy1 Dy2 88.8(3) . 2_666 ?
O2 Dy1 Dy3 120.3(3) . 2_666 ?
O2 Dy1 O10 69.5(4) . 2_666 ?
O2 Dy1 O1 121.3(5) . . ?
O2 Dy1 O9 85.6(4) . 2_666 ?
O2 Dy1 O5 126.6(5) . . ?
O2 Dy1 N1 64.9(4) . . ?
O2 Dy1 O8 76.5(7) . . ?
O10 Dy1 Dy2 37.3(3) 2_666 2_666 ?
O10 Dy1 Dy2 36.0(2) 2_666 . ?
O10 Dy1 Dy3 97.8(3) 2_666 2_666 ?
O1 Dy1 Dy2 101.0(3) . 2_666 ?
O1 Dy1 Dy2 138.3(3) . . ?
O1 Dy1 Dy3 40.6(3) . 2_666 ?
O1 Dy1 O10 138.2(4) . 2_666 ?
O1 Dy1 O9 71.5(4) . 2_666 ?
O1 Dy1 O5 78.6(6) . . ?
O1 Dy1 N1 71.5(5) . . ?
O1 Dy1 O8 145.6(6) . . ?
O6 Dy1 Dy2 115.2(4) . . ?
O6 Dy1 Dy2 61.3(4) . 2_666 ?
O6 Dy1 Dy3 55.6(5) . 2_666 ?
O6 Dy1 O2 148.4(4) . . ?
O6 Dy1 O10 79.8(5) . 2_666 ?
O6 Dy1 O1 77.6(5) . . ?
O6 Dy1 O9 76.5(5) . 2_666 ?
O6 Dy1 O5 79.4(6) . . ?
O6 Dy1 N1 145.4(5) . . ?
O6 Dy1 O8 102.4(7) . . ?
O9 Dy1 Dy2 73.5(3) 2_666 . ?
O9 Dy1 Dy2 37.0(3) 2_666 2_666 ?
O9 Dy1 Dy3 38.5(3) 2_666 2_666 ?
O9 Dy1 O10 69.3(4) 2_666 2_666 ?
O9 Dy1 O5 144.9(5) 2_666 . ?
O9 Dy1 N1 107.2(5) 2_666 . ?
O9 Dy1 O8 142.6(6) 2_666 . ?
O5 Dy1 Dy2 139.4(4) . 2_666 ?
O5 Dy1 Dy2 140.8(5) . . ?
O5 Dy1 Dy3 106.4(4) . 2_666 ?
O5 Dy1 O10 130.4(5) . 2_666 ?
O5 Dy1 N1 79.6(5) . . ?
N1 Dy1 Dy2 139.4(4) . 2_666 ?
N1 Dy1 Dy2 98.4(3) . . ?
N1 Dy1 Dy3 105.3(4) . 2_666 ?
N1 Dy1 O10 134.4(4) . 2_666 ?
O8 Dy1 Dy2 73.5(5) . . ?
O8 Dy1 Dy2 109.1(5) . 2_666 ?
O8 Dy1 Dy3 157.9(5) . 2_666 ?
O8 Dy1 O10 73.6(6) . 2_666 ?
O8 Dy1 O5 67.8(7) . . ?
O8 Dy1 N1 94.7(6) . . ?
Dy1 O2 Dy2 113.1(4) . . ?
C18 O2 Dy2 127.2(11) . . ?
C18 O2 Dy1 117.8(10) . . ?
Dy2 O10 Dy2 108.4(5) . 2_666 ?
Dy2 O10 Dy1 106.6(4) 2_666 2_666 ?
Dy2 O10 Dy1 103.2(4) . 2_666 ?
C35 O11 Dy2 134.5(13) . . ?
Dy2 O3 Dy3 107.4(5) . . ?
C12 O3 Dy2 126.8(10) . . ?
C12 O3 Dy3 119.0(10) . . ?
Dy1 O1 Dy3 101.0(4) . 2_666 ?
C21 O1 Dy3 129.7(12) . 2_666 ?
C21 O1 Dy1 128.7(12) . . ?
C33 O6 Dy1 138.3(13) . . ?
Dy2 O9 Dy3 105.7(4) . . ?
Dy1 O9 Dy2 106.3(5) 2_666 . ?
Dy1 O9 Dy3 103.2(5) 2_666 . ?
C33 O7 Dy3 113.5(13) . 2_666 ?
C31 O5 Dy1 129.4(15) . . ?
C35 O12 Dy3 136.1(14) . . ?
C8 O4 Dy3 140.6(14) . . ?
N4 N5 Dy3 114.7(10) . . ?
C11 N5 Dy3 131.1(13) . . ?
C11 N5 N4 113.9(16) . . ?
N5 N4 H4 122.3 . . ?
C12 N4 N5 115.3(15) . . ?
C12 N4 H4 122.3 . . ?
N2 N1 Dy1 115.5(10) . . ?
C19 N1 Dy1 128.7(13) . . ?
C19 N1 N2 115.8(16) . . ?
C17 N3 Dy2 120.3(11) . . ?
C13 N3 Dy2 118.6(11) . . ?
C13 N3 C17 120.7(16) . . ?
N1 N2 H2 123.7 . . ?
C18 N2 N1 112.5(14) . . ?
C18 N2 H2 123.7 . . ?
C38 O13 Dy2 129.3(11) . . ?
N3 C17 C18 111.8(16) . . ?
C16 C17 N3 122.0(18) . . ?
C16 C17 C18 126.1(18) . . ?
Dy1 O8 H8A 120.0 . . ?
Dy1 O8 H8B 120.0 . . ?
H8A O8 H8B 120.0 . . ?
N3 C13 C14 123.1(16) . . ?
N3 C13 C12 115.2(16) . . ?
C14 C13 C12 121.7(16) . . ?
O4 C8 C9 116(2) . . ?
O4 C8 C7 123.5(19) . . ?
C7 C8 C9 120(2) . . ?
O6 C33 C32 118(2) . . ?
O7 C33 O6 122(2) . . ?
O7 C33 C32 120.3(19) . . ?
C17 C16 H16 120.0 . . ?
C17 C16 C15 120.0(18) . . ?
C15 C16 H16 120.0 . . ?
C19 C20 C25 117.9(17) . . ?
C21 C20 C19 122.3(16) . . ?
C21 C20 C25 119.2(16) . . ?
N1 C19 C20 127.2(17) . . ?
N1 C19 H19 116.4 . . ?
C20 C19 H19 116.4 . . ?
Dy3 O14 H14A 127.4 . . ?
Dy3 O14 H14B 128.0 . . ?
H14A O14 H14B 104.7 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
C16 C15 H15 119.5 . . ?
C16 C15 C14 121.0(16) . . ?
C14 C15 H15 119.5 . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C22 C23 C24 121(2) . . ?
O1 C21 C20 123.3(16) . . ?
O1 C21 C22 119.3(18) . . ?
C20 C21 C22 117.3(16) . . ?
C13 C14 H14 123.6 . . ?
C15 C14 C13 112.9(15) . . ?
C15 C14 H14 123.6 . . ?
O3 C12 C13 113.3(15) . . ?
N4 C12 O3 125.0(17) . . ?
N4 C12 C13 121.3(17) . . ?
C25 C24 C23 117.6(17) . . ?
C29 C24 C23 123(2) . . ?
C29 C24 C25 120(2) . . ?
C7 C5 C6 124(2) . . ?
C4 C5 C6 116(2) . . ?
C4 C5 C7 120(2) . . ?
C24 C25 C20 120.2(17) . . ?
C26 C25 C20 122.0(18) . . ?
C26 C25 C24 117.6(18) . . ?
O11 C35 O12 127(2) . . ?
O11 C35 C36 119(2) . . ?
O12 C35 C36 115(2) . . ?
C24 C29 H29 119.2 . . ?
C28 C29 C24 122(2) . . ?
C28 C29 H29 119.2 . . ?
C25 C26 H26 121.3 . . ?
C25 C26 C27 117(2) . . ?
C27 C26 H26 121.3 . . ?
C9 C10 H10 118.4 . . ?
C4 C10 H10 118.4 . . ?
C4 C10 C9 123(2) . . ?
C8 C9 H9 121.1 . . ?
C10 C9 C8 118(2) . . ?
C10 C9 H9 121.1 . . ?
C23 C22 C21 125(2) . . ?
C23 C22 H22 117.7 . . ?
C21 C22 H22 117.7 . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120(3) . . ?
C33 C32 H32A 109.5 . . ?
C33 C32 H32B 109.5 . . ?
C33 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C5 C6 H6 118.2 . . ?
C1 C6 C5 124(2) . . ?
C1 C6 H6 118.2 . . ?
C8 C7 C5 120(2) . . ?
C8 C7 C11 121(2) . . ?
C5 C7 C11 119(2) . . ?
C26 C27 H27 118.6 . . ?
C28 C27 C26 123(2) . . ?
C28 C27 H27 118.6 . . ?
C5 C4 C3 120(3) . . ?
C10 C4 C5 118(2) . . ?
C10 C4 C3 121(3) . . ?
C29 C28 H28 119.7 . . ?
C27 C28 C29 121(2) . . ?
C27 C28 H28 119.7 . . ?
C3 C2 H2A 119.3 . . ?
C3 C2 C1 121(3) . . ?
C1 C2 H2A 119.3 . . ?
C6 C1 H1 121.0 . . ?
C2 C1 C6 118(3) . . ?
C2 C1 H1 121.0 . . ?
O13 C38 H38A 109.5 . . ?
O13 C38 H38B 109.5 . . ?
O13 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N5 C11 C7 126(2) . . ?
N5 C11 H11 116.9 . . ?
C7 C11 H11 116.9 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O16 C34 H34A 109.5 . . ?
O16 C34 H34B 109.5 . . ?
O16 C34 H34C 109.5 . . ?
C34 O16 H16A 109.5 . . ?
C37 O15 H15A 109.5 . . ?
O15 C37 H37A 109.5 . . ?
O15 C37 H37B 109.5 . . ?
O15 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
O5 C31 H31A 109.5 . . ?
O5 C31 H31B 109.5 . . ?
O5 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O17 C30 H30A 109.5 . . ?
O17 C30 H30B 109.5 . . ?
O17 C30 H30C 109.5 . . ?
O2 C18 C17 116.1(15) . . ?
N2 C18 O2 125.4(16) . . ?
N2 C18 C17 118.5(16) . . ?
C30 O17 H17 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
Dy2 O2 C18 N2 -177.9(16) . . . . ?
Dy2 O2 C18 C17 5(3) . . . . ?
Dy2 O11 C35 O12 4(4) . . . . ?
Dy2 O11 C35 C36 -175.7(16) . . . . ?
Dy2 O3 C12 N4 -155.3(15) . . . . ?
Dy2 O3 C12 C13 18(2) . . . . ?
Dy2 N3 C17 C16 172.6(15) . . . . ?
Dy2 N3 C17 C18 -12(2) . . . . ?
Dy2 N3 C13 C14 -171.7(14) . . . . ?
Dy2 N3 C13 C12 8(2) . . . . ?
Dy3 O3 C12 N4 -8(2) . . . . ?
Dy3 O3 C12 C13 165.3(12) . . . . ?
Dy3 O1 C21 C20 153.7(15) 2_666 . . . ?
Dy3 O1 C21 C22 -30(3) 2_666 . . . ?
Dy3 O7 C33 O6 -9(2) 2_666 . . . ?
Dy3 O7 C33 C32 173.8(16) 2_666 . . . ?
Dy3 O12 C35 O11 3(4) . . . . ?
Dy3 O12 C35 C36 -176.5(16) . . . . ?
Dy3 O4 C8 C9 150.4(19) . . . . ?
Dy3 O4 C8 C7 -36(4) . . . . ?
Dy3 N5 N4 C12 14(2) . . . . ?
Dy3 N5 C11 C7 7(4) . . . . ?
Dy1 O2 C18 N2 19(3) . . . . ?
Dy1 O2 C18 C17 -158.4(13) . . . . ?
Dy1 O1 C21 C20 -37(3) . . . . ?
Dy1 O1 C21 C22 138.5(16) . . . . ?
Dy1 O6 C33 O7 -66(3) . . . . ?
Dy1 O6 C33 C32 112(2) . . . . ?
Dy1 N1 N2 C18 -12(2) . . . . ?
Dy1 N1 C19 C20 4(3) . . . . ?
O1 C21 C22 C23 176(2) . . . . ?
O4 C8 C9 C10 176(2) . . . . ?
O4 C8 C7 C5 -176(2) . . . . ?
O4 C8 C7 C11 8(4) . . . . ?
N5 N4 C12 O3 -5(3) . . . . ?
N5 N4 C12 C13 -177.2(16) . . . . ?
N4 N5 C11 C7 -178(2) . . . . ?
N1 N2 C18 O2 -4(3) . . . . ?
N1 N2 C18 C17 173.6(17) . . . . ?
N3 C17 C16 C15 -4(3) . . . . ?
N3 C17 C18 O2 5(3) . . . . ?
N3 C17 C18 N2 -172.4(19) . . . . ?
N3 C13 C14 C15 2(3) . . . . ?
N3 C13 C12 O3 -16(2) . . . . ?
N3 C13 C12 N4 157.6(18) . . . . ?
N2 N1 C19 C20 -178(2) . . . . ?
C17 N3 C13 C14 1(3) . . . . ?
C17 N3 C13 C12 -179.2(17) . . . . ?
C17 C16 C15 C14 8(3) . . . . ?
C13 N3 C17 C16 0(3) . . . . ?
C13 N3 C17 C18 175.7(17) . . . . ?
C8 C7 C11 N5 2(4) . . . . ?
C16 C17 C18 O2 -179(2) . . . . ?
C16 C17 C18 N2 3(3) . . . . ?
C16 C15 C14 C13 -6(3) . . . . ?
C20 C21 C22 C23 -8(4) . . . . ?
C20 C25 C26 C27 -179(2) . . . . ?
C19 N1 N2 C18 170(2) . . . . ?
C19 C20 C21 O1 -8(3) . . . . ?
C19 C20 C21 C22 176(2) . . . . ?
C19 C20 C25 C24 -173.2(19) . . . . ?
C19 C20 C25 C26 12(3) . . . . ?
C23 C24 C25 C20 0(3) . . . . ?
C23 C24 C25 C26 176(2) . . . . ?
C23 C24 C29 C28 -179(2) . . . . ?
C21 C20 C19 N1 24(4) . . . . ?
C21 C20 C25 C24 -2(3) . . . . ?
C21 C20 C25 C26 -177(2) . . . . ?
C14 C13 C12 O3 164.0(17) . . . . ?
C14 C13 C12 N4 -23(3) . . . . ?
C12 C13 C14 C15 -177.9(18) . . . . ?
C24 C23 C22 C21 7(4) . . . . ?
C24 C25 C26 C27 6(3) . . . . ?
C24 C29 C28 C27 0(4) . . . . ?
C5 C6 C1 C2 2(4) . . . . ?
C5 C7 C11 N5 -174(2) . . . . ?
C25 C20 C19 N1 -164(2) . . . . ?
C25 C20 C21 O1 -178.9(19) . . . . ?
C25 C20 C21 C22 5(3) . . . . ?
C25 C24 C29 C28 3(3) . . . . ?
C25 C26 C27 C28 -4(4) . . . . ?
C29 C24 C25 C20 179.0(19) . . . . ?
C29 C24 C25 C26 -6(3) . . . . ?
C26 C27 C28 C29 1(4) . . . . ?
C9 C8 C7 C5 -3(4) . . . . ?
C9 C8 C7 C11 -179(2) . . . . ?
C9 C10 C4 C5 -1(4) . . . . ?
C9 C10 C4 C3 -179(3) . . . . ?
C22 C23 C24 C25 -3(3) . . . . ?
C22 C23 C24 C29 179(2) . . . . ?
C3 C2 C1 C6 -3(5) . . . . ?
C6 C5 C7 C8 -178(2) . . . . ?
C6 C5 C7 C11 -2(3) . . . . ?
C6 C5 C4 C10 179(2) . . . . ?
C6 C5 C4 C3 -2(3) . . . . ?
C7 C8 C9 C10 2(4) . . . . ?
C7 C5 C6 C1 -179(2) . . . . ?
C7 C5 C4 C10 0(3) . . . . ?
C7 C5 C4 C3 178(2) . . . . ?
C4 C5 C6 C1 1(3) . . . . ?
C4 C5 C7 C8 2(3) . . . . ?
C4 C5 C7 C11 178(2) . . . . ?
C4 C10 C9 C8 0(4) . . . . ?
C4 C3 C2 C1 2(5) . . . . ?
C2 C3 C4 C5 1(4) . . . . ?
C2 C3 C4 C10 179(3) . . . . ?
C11 N5 N4 C12 -162.0(19) . . . . ?
C18 C17 C16 C15 -179(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 4.769
_oxdiff_exptl_absorpt_empirical_full_min 0.276
