# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1dy
_database_code_depnum_ccdc_archive 'CCDC 1021519'
loop_
_audit_author_name
_audit_author_address
'Li Zhang'
;Changchun Institute of Applied Chemistry
China
;
_audit_update_record             
;
2021-06-11 deposited with the CCDC.	2021-06-11 downloaded from the CCDC.
;
_audit_creation_date             2021-06-03
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C34 H23 Dy N6 O6, C H4 O'
_chemical_formula_sum            'C35 H27 Dy N6 O7'
_chemical_formula_weight         806.12
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.720(2)
_cell_length_b                   21.310(4)
_cell_length_c                   12.720(2)
_cell_angle_alpha                90
_cell_angle_beta                 109.36
_cell_angle_gamma                90
_cell_volume                     3252.8(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7085
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.05
_cell_measurement_theta_min      2.56
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.357
_exptl_absorpt_correction_T_max  0.654
_exptl_absorpt_correction_T_min  0.630
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Sadabs; bruker, 2000)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1604
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0467
_diffrn_reflns_av_unetI/netI     0.0570
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            17598
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.107
_diffrn_reflns_theta_min         1.911
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           35.0
_diffrn_source_power             1.575
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4855
_reflns_number_total             6420
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_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    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.327
_refine_diff_density_min         -0.890
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     446
_refine_ls_number_reflns         6420
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0358
_refine_ls_restrained_S_all      1.017
_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)+(0.0354P)²+2.7939P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0767
_refine_ls_wR_factor_ref         0.0853
_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
2.a Aromatic/amide H refined with riding coordinates:
 N3(H3A), C2(H2), C3(H3B), C4(H4), C7(H7), C8(H8), C10(H10), C13(H13),
 C14(H14), C15(H15), C16(H16), C19(H19), C20(H20), C21(H21), C24(H24), C25(H25),
  C27(H27), C30(H30), C31(H31), C32(H32), C33(H33)
2.b Idealised Me refined as rotating group:
 C35(H35A,H35B,H35C)
2.c Idealised tetrahedral OH refined as rotating group:
 O3(H3), O6(H6), O7(H7A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.34154(2) 0.41491(2) 0.73476(2) 0.02040(8) Uani 1 1 d . . . . .
O1 O 0.1846(3) 0.36736(15) 0.7446(2) 0.0254(7) Uani 1 1 d . . . . .
O2 O 0.4841(3) 0.48909(15) 0.7372(2) 0.0267(7) Uani 1 1 d . . . . .
O3 O 0.7006(3) 0.48382(15) 0.5546(3) 0.0297(8) Uani 1 1 d . . . . .
H3 H 0.725785 0.495025 0.505990 0.044 Uiso 1 1 calc R U . . .
O4 O 0.2306(3) 0.48405(15) 0.6000(2) 0.0267(7) Uani 1 1 d . . . . .
O5 O 0.4719(3) 0.34087(15) 0.8279(2) 0.0279(8) Uani 1 1 d . . . . .
O6 O 0.6098(3) 0.31892(19) 1.1750(3) 0.0445(10) Uani 1 1 d . . . . .
H6 H 0.572054 0.348058 1.140015 0.067 Uiso 1 1 calc R U . . .
O7 O 1.0448(7) 0.4130(3) 0.8595(6) 0.124(3) Uani 1 1 d . . . . .
H7A H 1.081671 0.406587 0.818514 0.186 Uiso 1 1 calc R U . . .
N1 N 0.2847(3) 0.32605(17) 0.6052(3) 0.0204(8) Uani 1 1 d . . . . .
N2 N 0.4506(3) 0.39519(17) 0.6033(3) 0.0217(8) Uani 1 1 d . . . . .
N3 N 0.5334(3) 0.43721(18) 0.6068(3) 0.0234(9) Uani 1 1 d . . . . .
H3A H 0.575657 0.432545 0.566747 0.028 Uiso 1 1 calc R U . . .
N4 N 0.2738(3) 0.50347(18) 0.8153(3) 0.0231(9) Uani 1 1 d . . . . .
N5 N 0.4116(3) 0.42199(17) 0.9405(3) 0.0230(9) Uani 1 1 d . . . . .
N6 N 0.4878(3) 0.37866(19) 1.0019(3) 0.0268(9) Uani 1 1 d . . . . .
C1 C 0.1353(4) 0.3207(2) 0.6781(4) 0.0236(10) Uani 1 1 d . . . . .
C2 C 0.0339(4) 0.2940(2) 0.6713(4) 0.0293(11) Uani 1 1 d . . . . .
H2 H -0.004130 0.308467 0.717606 0.035 Uiso 1 1 calc R U . . .
C3 C -0.0122(4) 0.2453(2) 0.5958(4) 0.0335(12) Uani 1 1 d . . . . .
H3B H -0.081407 0.229251 0.591716 0.040 Uiso 1 1 calc R U . . .
C4 C 0.0414(4) 0.2206(2) 0.5278(4) 0.0317(12) Uani 1 1 d . . . . .
H4 H 0.009488 0.187620 0.480058 0.038 Uiso 1 1 calc R U . . .
C5 C 0.1443(4) 0.2452(2) 0.5304(4) 0.0258(11) Uani 1 1 d . . . . .
C6 C 0.1900(4) 0.2965(2) 0.6039(3) 0.0217(10) Uani 1 1 d . . . . .
C7 C 0.2078(4) 0.2251(2) 0.4630(4) 0.0291(11) Uani 1 1 d . . . . .
H7 H 0.183535 0.190872 0.415823 0.035 Uiso 1 1 calc R U . . .
C8 C 0.3033(4) 0.2552(2) 0.4667(4) 0.0276(11) Uani 1 1 d . . . . .
H8 H 0.344423 0.241586 0.422715 0.033 Uiso 1 1 calc R U . . .
C9 C 0.3392(4) 0.3075(2) 0.5383(4) 0.0240(10) Uani 1 1 d . . . . .
C10 C 0.4340(4) 0.3469(2) 0.5404(4) 0.0253(11) Uani 1 1 d . . . . .
H10 H 0.479504 0.337462 0.498458 0.030 Uiso 1 1 calc R U . . .
C11 C 0.5446(4) 0.4865(2) 0.6770(3) 0.0225(10) Uani 1 1 d . . . . .
C12 C 0.6262(4) 0.5351(2) 0.6804(4) 0.0267(11) Uani 1 1 d . . . . .
C13 C 0.6252(5) 0.5888(2) 0.7438(4) 0.0337(12) Uani 1 1 d . . . . .
H13 H 0.570005 0.593287 0.776295 0.040 Uiso 1 1 calc R U . . .
C14 C 0.7052(5) 0.6353(3) 0.7590(4) 0.0458(15) Uani 1 1 d . . . . .
H14 H 0.703764 0.670653 0.801342 0.055 Uiso 1 1 calc R U . . .
C15 C 0.7874(5) 0.6285(3) 0.7105(4) 0.0397(14) Uani 1 1 d . . . . .
H15 H 0.843486 0.658476 0.723452 0.048 Uiso 1 1 calc R U . . .
C16 C 0.7865(4) 0.5780(2) 0.6435(4) 0.0335(12) Uani 1 1 d . . . . .
H16 H 0.841357 0.574447 0.610435 0.040 Uiso 1 1 calc R U . . .
C17 C 0.7049(4) 0.5321(2) 0.6244(4) 0.0255(11) Uani 1 1 d . . . . .
C18 C 0.1775(4) 0.5322(2) 0.6289(4) 0.0244(10) Uani 1 1 d . . . . .
C19 C 0.1025(4) 0.5707(2) 0.5553(4) 0.0303(12) Uani 1 1 d . . . . .
H19 H 0.083234 0.563261 0.479225 0.036 Uiso 1 1 calc R U . . .
C20 C 0.0540(4) 0.6215(2) 0.5932(4) 0.0337(12) Uani 1 1 d . . . . .
H20 H 0.004588 0.647565 0.541219 0.040 Uiso 1 1 calc R U . . .
C21 C 0.0775(4) 0.6337(3) 0.7041(4) 0.0343(12) Uani 1 1 d . . . . .
H21 H 0.045208 0.667849 0.727134 0.041 Uiso 1 1 calc R U . . .
C22 C 0.1514(4) 0.5938(2) 0.7835(4) 0.0282(11) Uani 1 1 d . . . . .
C23 C 0.2007(4) 0.5438(2) 0.7449(4) 0.0251(11) Uani 1 1 d . . . . .
C24 C 0.1808(5) 0.6008(2) 0.8997(4) 0.0386(14) Uani 1 1 d . . . . .
H24 H 0.149855 0.633189 0.928795 0.046 Uiso 1 1 calc R U . . .
C25 C 0.2543(5) 0.5605(2) 0.9695(4) 0.0376(13) Uani 1 1 d . . . . .
H25 H 0.273609 0.565212 1.046324 0.045 Uiso 1 1 calc R U . . .
C26 C 0.3005(4) 0.5121(2) 0.9251(4) 0.0259(11) Uani 1 1 d . . . . .
C27 C 0.3807(4) 0.4666(2) 0.9918(4) 0.0282(11) Uani 1 1 d . . . . .
H27 H 0.408639 0.469775 1.069078 0.034 Uiso 1 1 calc R U . . .
C28 C 0.5125(4) 0.3382(2) 0.9341(4) 0.0254(11) Uani 1 1 d . . . . .
C29 C 0.5885(4) 0.2864(2) 0.9878(4) 0.0265(11) Uani 1 1 d . . . . .
C30 C 0.6160(4) 0.2417(2) 0.9208(4) 0.0315(12) Uani 1 1 d . . . . .
H30 H 0.587528 0.246180 0.843779 0.038 Uiso 1 1 calc R U . . .
C31 C 0.6844(4) 0.1906(2) 0.9654(4) 0.0362(13) Uani 1 1 d . . . . .
H31 H 0.702154 0.161467 0.919413 0.043 Uiso 1 1 calc R U . . .
C32 C 0.7251(4) 0.1845(3) 1.0793(5) 0.0390(13) Uani 1 1 d . . . . .
H32 H 0.770234 0.150367 1.110566 0.047 Uiso 1 1 calc R U . . .
C33 C 0.7007(4) 0.2274(3) 1.1478(4) 0.0375(13) Uani 1 1 d . . . . .
H33 H 0.730071 0.222330 1.224673 0.045 Uiso 1 1 calc R U . . .
C34 C 0.6322(4) 0.2787(2) 1.1037(4) 0.0313(12) Uani 1 1 d . . . . .
C35 C 0.9694(8) 0.4550(4) 0.8148(9) 0.123(4) Uani 1 1 d . . . . .
H35A H 0.986290 0.492736 0.858394 0.184 Uiso 1 1 calc R U . . .
H35B H 0.897778 0.439540 0.812521 0.184 Uiso 1 1 calc R U . . .
H35C H 0.968296 0.463771 0.740417 0.184 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 O1 2.279(3) . ?
Dy1 O2 2.398(3) . ?
Dy1 O4 2.344(3) . ?
Dy1 O5 2.311(3) . ?
Dy1 N1 2.457(4) . ?
Dy1 N2 2.536(4) . ?
Dy1 N4 2.437(4) . ?
Dy1 N5 2.474(4) . ?
O1 C1 1.321(5) . ?
O2 C11 1.254(5) . ?
O3 H3 0.8200 . ?
O3 C17 1.349(5) . ?
O4 C18 1.344(5) . ?
O5 C28 1.277(5) . ?
O6 H6 0.8200 . ?
O6 C34 1.346(6) . ?
O7 H7A 0.8200 . ?
O7 C35 1.296(9) . ?
N1 C6 1.354(5) . ?
N1 C9 1.323(5) . ?
N2 N3 1.372(5) . ?
N2 C10 1.277(5) . ?
N3 H3A 0.8600 . ?
N3 C11 1.355(5) . ?
N4 C23 1.362(6) . ?
N4 C26 1.336(5) . ?
N5 N6 1.378(5) . ?
N5 C27 1.286(6) . ?
N6 C28 1.330(6) . ?
C1 C2 1.386(6) . ?
C1 C6 1.442(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.403(7) . ?
C3 H3B 0.9300 . ?
C3 C4 1.371(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.400(6) . ?
C5 C6 1.430(6) . ?
C5 C7 1.424(6) . ?
C7 H7 0.9300 . ?
C7 C8 1.361(6) . ?
C8 H8 0.9300 . ?
C8 C9 1.415(6) . ?
C9 C10 1.464(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.458(6) . ?
C12 C13 1.401(7) . ?
C12 C17 1.409(6) . ?
C13 H13 0.9300 . ?
C13 C14 1.387(7) . ?
C14 H14 0.9300 . ?
C14 C15 1.386(8) . ?
C15 H15 0.9300 . ?
C15 C16 1.370(7) . ?
C16 H16 0.9300 . ?
C16 C17 1.388(6) . ?
C18 C19 1.367(6) . ?
C18 C23 1.428(6) . ?
C19 H19 0.9300 . ?
C19 C20 1.407(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.367(7) . ?
C21 H21 0.9300 . ?
C21 C22 1.413(7) . ?
C22 C23 1.403(6) . ?
C22 C24 1.407(7) . ?
C24 H24 0.9300 . ?
C24 C25 1.360(7) . ?
C25 H25 0.9300 . ?
C25 C26 1.397(6) . ?
C26 C27 1.459(7) . ?
C27 H27 0.9300 . ?
C28 C29 1.476(6) . ?
C29 C30 1.399(6) . ?
C29 C34 1.403(6) . ?
C30 H30 0.9300 . ?
C30 C31 1.392(7) . ?
C31 H31 0.9300 . ?
C31 C32 1.374(7) . ?
C32 H32 0.9300 . ?
C32 C33 1.369(7) . ?
C33 H33 0.9300 . ?
C33 C34 1.393(7) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 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
O1 Dy1 O2 164.76(11) . . ?
O1 Dy1 O4 89.65(11) . . ?
O1 Dy1 O5 99.26(11) . . ?
O1 Dy1 N1 68.03(11) . . ?
O1 Dy1 N2 130.02(11) . . ?
O1 Dy1 N4 83.27(12) . . ?
O1 Dy1 N5 89.07(11) . . ?
O2 Dy1 N1 124.74(11) . . ?
O2 Dy1 N2 62.70(11) . . ?
O2 Dy1 N4 81.69(11) . . ?
O2 Dy1 N5 86.58(11) . . ?
O4 Dy1 O2 82.21(11) . . ?
O4 Dy1 N1 91.25(11) . . ?
O4 Dy1 N2 87.15(11) . . ?
O4 Dy1 N4 67.02(11) . . ?
O4 Dy1 N5 130.81(11) . . ?
O5 Dy1 O2 91.86(12) . . ?
O5 Dy1 O4 163.66(10) . . ?
O5 Dy1 N1 79.59(11) . . ?
O5 Dy1 N2 76.62(11) . . ?
O5 Dy1 N4 127.37(11) . . ?
O5 Dy1 N5 63.49(11) . . ?
N1 Dy1 N2 62.20(12) . . ?
N1 Dy1 N5 132.81(12) . . ?
N4 Dy1 N1 144.34(12) . . ?
N4 Dy1 N2 138.79(12) . . ?
N4 Dy1 N5 64.00(12) . . ?
N5 Dy1 N2 128.58(12) . . ?
C1 O1 Dy1 122.5(3) . . ?
C11 O2 Dy1 125.2(3) . . ?
C17 O3 H3 109.5 . . ?
C18 O4 Dy1 121.0(3) . . ?
C28 O5 Dy1 122.9(3) . . ?
C34 O6 H6 109.5 . . ?
C35 O7 H7A 109.5 . . ?
C6 N1 Dy1 115.4(3) . . ?
C9 N1 Dy1 124.2(3) . . ?
C9 N1 C6 120.4(4) . . ?
N3 N2 Dy1 116.9(2) . . ?
C10 N2 Dy1 122.3(3) . . ?
C10 N2 N3 120.7(4) . . ?
N2 N3 H3A 122.0 . . ?
C11 N3 N2 116.0(4) . . ?
C11 N3 H3A 122.0 . . ?
C23 N4 Dy1 118.2(3) . . ?
C26 N4 Dy1 122.9(3) . . ?
C26 N4 C23 118.8(4) . . ?
N6 N5 Dy1 119.8(3) . . ?
C27 N5 Dy1 121.2(3) . . ?
C27 N5 N6 118.9(4) . . ?
C28 N6 N5 109.9(4) . . ?
O1 C1 C2 125.7(4) . . ?
O1 C1 C6 117.3(4) . . ?
C2 C1 C6 116.9(4) . . ?
C1 C2 H2 119.5 . . ?
C1 C2 C3 121.0(4) . . ?
C3 C2 H2 119.5 . . ?
C2 C3 H3B 118.9 . . ?
C4 C3 C2 122.2(5) . . ?
C4 C3 H3B 118.9 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.9(5) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 C6 118.4(4) . . ?
C4 C5 C7 125.8(4) . . ?
C7 C5 C6 115.8(4) . . ?
N1 C6 C1 116.5(4) . . ?
N1 C6 C5 122.0(4) . . ?
C5 C6 C1 121.5(4) . . ?
C5 C7 H7 119.5 . . ?
C8 C7 C5 121.0(4) . . ?
C8 C7 H7 119.5 . . ?
C7 C8 H8 120.4 . . ?
C7 C8 C9 119.1(4) . . ?
C9 C8 H8 120.4 . . ?
N1 C9 C8 121.5(4) . . ?
N1 C9 C10 114.8(4) . . ?
C8 C9 C10 123.5(4) . . ?
N2 C10 C9 116.0(4) . . ?
N2 C10 H10 122.0 . . ?
C9 C10 H10 122.0 . . ?
O2 C11 N3 119.0(4) . . ?
O2 C11 C12 121.6(4) . . ?
N3 C11 C12 119.3(4) . . ?
C13 C12 C11 117.1(4) . . ?
C13 C12 C17 118.1(4) . . ?
C17 C12 C11 124.8(4) . . ?
C12 C13 H13 119.5 . . ?
C14 C13 C12 121.1(5) . . ?
C14 C13 H13 119.5 . . ?
C13 C14 H14 120.3 . . ?
C15 C14 C13 119.4(5) . . ?
C15 C14 H14 120.3 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.4(5) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 119.5 . . ?
C15 C16 C17 121.0(5) . . ?
C17 C16 H16 119.5 . . ?
O3 C17 C12 119.2(4) . . ?
O3 C17 C16 121.2(4) . . ?
C16 C17 C12 119.6(5) . . ?
O4 C18 C19 124.8(4) . . ?
O4 C18 C23 117.7(4) . . ?
C19 C18 C23 117.4(4) . . ?
C18 C19 H19 119.6 . . ?
C18 C19 C20 120.9(4) . . ?
C20 C19 H19 119.6 . . ?
C19 C20 H20 119.1 . . ?
C21 C20 C19 121.9(5) . . ?
C21 C20 H20 119.1 . . ?
C20 C21 H21 120.3 . . ?
C20 C21 C22 119.3(5) . . ?
C22 C21 H21 120.3 . . ?
C23 C22 C21 118.3(4) . . ?
C23 C22 C24 117.0(4) . . ?
C24 C22 C21 124.7(5) . . ?
N4 C23 C18 115.5(4) . . ?
N4 C23 C22 122.4(4) . . ?
C22 C23 C18 122.0(4) . . ?
C22 C24 H24 119.8 . . ?
C25 C24 C22 120.3(5) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 120.3 . . ?
C24 C25 C26 119.5(5) . . ?
C26 C25 H25 120.3 . . ?
N4 C26 C25 122.0(4) . . ?
N4 C26 C27 113.8(4) . . ?
C25 C26 C27 124.2(4) . . ?
N5 C27 C26 117.9(4) . . ?
N5 C27 H27 121.0 . . ?
C26 C27 H27 121.0 . . ?
O5 C28 N6 123.9(4) . . ?
O5 C28 C29 119.8(4) . . ?
N6 C28 C29 116.3(4) . . ?
C30 C29 C28 119.0(4) . . ?
C30 C29 C34 117.9(4) . . ?
C34 C29 C28 123.1(4) . . ?
C29 C30 H30 118.8 . . ?
C31 C30 C29 122.3(5) . . ?
C31 C30 H30 118.8 . . ?
C30 C31 H31 121.0 . . ?
C32 C31 C30 118.0(5) . . ?
C32 C31 H31 121.0 . . ?
C31 C32 H32 119.2 . . ?
C33 C32 C31 121.5(5) . . ?
C33 C32 H32 119.2 . . ?
C32 C33 H33 119.6 . . ?
C32 C33 C34 120.7(5) . . ?
C34 C33 H33 119.6 . . ?
O6 C34 C29 122.3(4) . . ?
O6 C34 C33 118.2(4) . . ?
C33 C34 C29 119.5(5) . . ?
O7 C35 H35A 109.5 . . ?
O7 C35 H35B 109.5 . . ?
O7 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 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 O1 C1 C2 -172.9(3) . . . . ?
Dy1 O1 C1 C6 5.4(5) . . . . ?
Dy1 O2 C11 N3 -2.5(6) . . . . ?
Dy1 O2 C11 C12 177.3(3) . . . . ?
Dy1 O4 C18 C19 -172.9(4) . . . . ?
Dy1 O4 C18 C23 6.8(5) . . . . ?
Dy1 O5 C28 N6 -2.7(6) . . . . ?
Dy1 O5 C28 C29 175.0(3) . . . . ?
Dy1 N1 C6 C1 -0.1(5) . . . . ?
Dy1 N1 C6 C5 178.0(3) . . . . ?
Dy1 N1 C9 C8 178.9(3) . . . . ?
Dy1 N1 C9 C10 -4.3(5) . . . . ?
Dy1 N2 N3 C11 -2.8(5) . . . . ?
Dy1 N2 C10 C9 7.2(5) . . . . ?
Dy1 N4 C23 C18 -4.5(5) . . . . ?
Dy1 N4 C23 C22 175.7(3) . . . . ?
Dy1 N4 C26 C25 -175.2(4) . . . . ?
Dy1 N4 C26 C27 4.6(6) . . . . ?
Dy1 N5 N6 C28 0.7(5) . . . . ?
Dy1 N5 C27 C26 1.7(6) . . . . ?
O1 C1 C2 C3 178.6(4) . . . . ?
O1 C1 C6 N1 -3.2(6) . . . . ?
O1 C1 C6 C5 178.6(4) . . . . ?
O2 C11 C12 C13 -7.5(7) . . . . ?
O2 C11 C12 C17 172.9(4) . . . . ?
O4 C18 C19 C20 -177.6(4) . . . . ?
O4 C18 C23 N4 -1.3(6) . . . . ?
O4 C18 C23 C22 178.5(4) . . . . ?
O5 C28 C29 C30 1.0(7) . . . . ?
O5 C28 C29 C34 -177.0(5) . . . . ?
N1 C9 C10 N2 -2.0(6) . . . . ?
N2 N3 C11 O2 3.5(6) . . . . ?
N2 N3 C11 C12 -176.3(4) . . . . ?
N3 N2 C10 C9 -176.4(4) . . . . ?
N3 C11 C12 C13 172.3(4) . . . . ?
N3 C11 C12 C17 -7.3(7) . . . . ?
N4 C26 C27 N5 -4.0(6) . . . . ?
N5 N6 C28 O5 1.2(6) . . . . ?
N5 N6 C28 C29 -176.6(4) . . . . ?
N6 N5 C27 C26 179.7(4) . . . . ?
N6 C28 C29 C30 178.8(4) . . . . ?
N6 C28 C29 C34 0.9(7) . . . . ?
C1 C2 C3 C4 2.0(7) . . . . ?
C2 C1 C6 N1 175.2(4) . . . . ?
C2 C1 C6 C5 -2.9(6) . . . . ?
C2 C3 C4 C5 -1.7(8) . . . . ?
C3 C4 C5 C6 -0.8(7) . . . . ?
C3 C4 C5 C7 -178.6(5) . . . . ?
C4 C5 C6 N1 -174.8(4) . . . . ?
C4 C5 C6 C1 3.2(6) . . . . ?
C4 C5 C7 C8 175.3(5) . . . . ?
C5 C7 C8 C9 -0.4(7) . . . . ?
C6 N1 C9 C8 -2.3(7) . . . . ?
C6 N1 C9 C10 174.5(4) . . . . ?
C6 C1 C2 C3 0.3(7) . . . . ?
C6 C5 C7 C8 -2.5(7) . . . . ?
C7 C5 C6 N1 3.1(6) . . . . ?
C7 C5 C6 C1 -178.8(4) . . . . ?
C7 C8 C9 N1 2.9(7) . . . . ?
C7 C8 C9 C10 -173.6(4) . . . . ?
C8 C9 C10 N2 174.7(4) . . . . ?
C9 N1 C6 C1 -178.9(4) . . . . ?
C9 N1 C6 C5 -0.8(6) . . . . ?
C10 N2 N3 C11 -179.4(4) . . . . ?
C11 C12 C13 C14 174.9(5) . . . . ?
C11 C12 C17 O3 5.8(7) . . . . ?
C11 C12 C17 C16 -172.9(4) . . . . ?
C12 C13 C14 C15 0.1(8) . . . . ?
C13 C12 C17 O3 -173.8(4) . . . . ?
C13 C12 C17 C16 7.5(7) . . . . ?
C13 C14 C15 C16 3.3(9) . . . . ?
C14 C15 C16 C17 -1.1(8) . . . . ?
C15 C16 C17 O3 176.9(5) . . . . ?
C15 C16 C17 C12 -4.3(7) . . . . ?
C17 C12 C13 C14 -5.4(7) . . . . ?
C18 C19 C20 C21 -1.5(8) . . . . ?
C19 C18 C23 N4 178.5(4) . . . . ?
C19 C18 C23 C22 -1.7(7) . . . . ?
C19 C20 C21 C22 -0.8(8) . . . . ?
C20 C21 C22 C23 1.8(7) . . . . ?
C20 C21 C22 C24 -179.0(5) . . . . ?
C21 C22 C23 N4 179.3(4) . . . . ?
C21 C22 C23 C18 -0.5(7) . . . . ?
C21 C22 C24 C25 -178.9(5) . . . . ?
C22 C24 C25 C26 0.1(9) . . . . ?
C23 N4 C26 C25 1.1(7) . . . . ?
C23 N4 C26 C27 -179.1(4) . . . . ?
C23 C18 C19 C20 2.7(7) . . . . ?
C23 C22 C24 C25 0.3(8) . . . . ?
C24 C22 C23 N4 0.0(7) . . . . ?
C24 C22 C23 C18 -179.8(5) . . . . ?
C24 C25 C26 N4 -0.8(8) . . . . ?
C24 C25 C26 C27 179.4(5) . . . . ?
C25 C26 C27 N5 175.8(5) . . . . ?
C26 N4 C23 C18 179.1(4) . . . . ?
C26 N4 C23 C22 -0.7(7) . . . . ?
C27 N5 N6 C28 -177.4(4) . . . . ?
C28 C29 C30 C31 -178.1(5) . . . . ?
C28 C29 C34 O6 -1.4(8) . . . . ?
C28 C29 C34 C33 178.0(5) . . . . ?
C29 C30 C31 C32 0.4(8) . . . . ?
C30 C29 C34 O6 -179.4(5) . . . . ?
C30 C29 C34 C33 0.0(7) . . . . ?
C30 C31 C32 C33 -0.8(8) . . . . ?
C31 C32 C33 C34 0.7(8) . . . . ?
C32 C33 C34 O6 179.1(5) . . . . ?
C32 C33 C34 C29 -0.3(8) . . . . ?
C34 C29 C30 C31 0.0(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3dy2
_database_code_depnum_ccdc_archive 'CCDC 1021521'
loop_
_audit_author_name
_audit_author_address
'Li Zhang'
;Changchun Institute of Applied Chemistry
China
;
_audit_update_record             
;
2021-06-11 deposited with the CCDC.	2021-06-11 downloaded from the CCDC.
;
_audit_creation_date             2021-06-03
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C46 H50 Dy2 N12 O16, 4(C3 H7 N O)'
_chemical_formula_sum            'C58 H78 Dy2 N16 O20'
_chemical_formula_weight         1644.36
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.829(2)
_cell_length_b                   17.777(2)
_cell_length_c                   12.5849(17)
_cell_angle_alpha                90
_cell_angle_beta                 108.326(2)
_cell_angle_gamma                90
_cell_volume                     3574.1(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7948
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      2.62
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.153
_exptl_absorpt_correction_T_max  0.664
_exptl_absorpt_correction_T_min  0.643
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Sadabs; bruker, 2000)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhombic
_exptl_crystal_F_000             1660
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0643
_diffrn_reflns_av_unetI/netI     0.0684
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            21937
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.027
_diffrn_reflns_theta_min         1.714
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5128
_reflns_number_total             7023
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         2.524
_refine_diff_density_min         -1.958
_refine_diff_density_rms         0.143
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7023
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0491
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0754P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1171
_refine_ls_wR_factor_ref         0.1353
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O10) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C27)
\\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C29) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3A), C4(H4), C8(H8), C9(H9), C10(H10), C13(H13), C14(H14),
 C15(H15), C16(H16), C18(H18), C21(H21), C26(H26), C28(H28)
3.b Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C23(H23A,H23B,
 H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C29(H29A,
 H29B,H29C)
3.c Idealised tetrahedral OH refined as rotating group:
 O3(H3)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.09566(2) 0.48988(2) 0.44171(2) 0.03120(12) Uani 1 1 d . . . . .
O1 O -0.0227(2) 0.5643(2) 0.4438(3) 0.0329(9) Uani 1 1 d . . . . .
O2 O 0.1982(3) 0.3954(2) 0.4689(3) 0.0399(10) Uani 1 1 d . . . . .
O3 O 0.3434(4) 0.3604(4) 0.2589(5) 0.092(2) Uani 1 1 d . . . . .
H3 H 0.299965 0.384643 0.245971 0.139 Uiso 1 1 calc R U . . .
O4 O 0.2349(3) 0.5587(3) 0.4517(4) 0.0652(14) Uani 1 1 d . . . . .
O5 O 0.1351(3) 0.6270(3) 0.4667(4) 0.0545(12) Uani 1 1 d . . . . .
O6 O 0.2579(3) 0.6752(3) 0.4963(5) 0.0833(18) Uani 1 1 d . . . . .
O7 O 0.1766(3) 0.5100(2) 0.6327(4) 0.0480(12) Uani 1 1 d . . . . .
O8 O 0.0080(3) 0.3968(2) 0.3277(3) 0.0459(11) Uani 1 1 d . . . . .
O9 O 0.6043(9) 0.1199(8) 0.6476(12) 0.221(7) Uani 1 1 d . . . . .
O10 O 0.7682(6) 0.0899(6) 0.4065(8) 0.169(4) Uani 1 1 d . U . . .
N1 N 0.0272(3) 0.5568(3) 0.2634(3) 0.0334(11) Uani 1 1 d . . . . .
N2 N 0.1478(3) 0.4617(3) 0.2793(4) 0.0371(11) Uani 1 1 d . . . . .
N3 N 0.2133(3) 0.4122(3) 0.2950(4) 0.0389(12) Uani 1 1 d . . . . .
N4 N 0.2103(4) 0.6215(3) 0.4732(4) 0.0483(14) Uani 1 1 d . . . . .
N5 N 0.2506(5) 0.4698(4) 0.8043(5) 0.072(2) Uani 1 1 d . . . . .
N6 N -0.0907(4) 0.3093(3) 0.2579(4) 0.0508(14) Uani 1 1 d . . . . .
N7 N 0.5511(7) 0.0480(8) 0.7551(10) 0.128(4) Uani 1 1 d . . . . .
N8 N 0.6571(5) 0.1451(5) 0.2907(9) 0.101(3) Uani 1 1 d . . . . .
C1 C -0.0529(3) 0.6155(3) 0.3631(5) 0.0327(13) Uani 1 1 d . . . . .
C2 C -0.1056(4) 0.6726(3) 0.3683(5) 0.0438(15) Uani 1 1 d . . . . .
H2 H -0.119597 0.678826 0.433595 0.053 Uiso 1 1 calc R U . . .
C3 C -0.1396(4) 0.7226(4) 0.2785(5) 0.0499(17) Uani 1 1 d . . . . .
H3A H -0.175538 0.760660 0.285324 0.060 Uiso 1 1 calc R U . . .
C4 C -0.1199(4) 0.7154(4) 0.1806(5) 0.0549(18) Uani 1 1 d . . . . .
H4 H -0.143410 0.747872 0.120997 0.066 Uiso 1 1 calc R U . . .
C5 C -0.0642(4) 0.6589(3) 0.1714(5) 0.0447(15) Uani 1 1 d . . . . .
C6 C -0.0299(4) 0.6099(3) 0.2624(5) 0.0338(13) Uani 1 1 d . . . . .
C7 C 0.0514(4) 0.5479(3) 0.1732(5) 0.0400(14) Uani 1 1 d . . . . .
C8 C 0.0184(5) 0.5918(4) 0.0762(5) 0.0531(18) Uani 1 1 d . . . . .
H8 H 0.034750 0.583602 0.013083 0.064 Uiso 1 1 calc R U . . .
C9 C -0.0381(4) 0.6466(4) 0.0767(5) 0.0552(18) Uani 1 1 d . . . . .
H9 H -0.059851 0.676417 0.013525 0.066 Uiso 1 1 calc R U . . .
C10 C 0.1173(4) 0.4930(3) 0.1832(5) 0.0394(14) Uani 1 1 d . . . . .
H10 H 0.136318 0.481174 0.123304 0.047 Uiso 1 1 calc R U . . .
C11 C 0.2354(4) 0.3829(3) 0.3972(5) 0.0382(14) Uani 1 1 d . . . . .
C12 C 0.3088(4) 0.3320(3) 0.4254(5) 0.0405(14) Uani 1 1 d . . . . .
C13 C 0.3290(4) 0.2904(4) 0.5251(5) 0.0496(16) Uani 1 1 d . . . . .
H13 H 0.296385 0.295518 0.572245 0.059 Uiso 1 1 calc R U . . .
C14 C 0.3962(4) 0.2423(4) 0.5541(6) 0.0565(19) Uani 1 1 d . . . . .
H14 H 0.407765 0.214147 0.619557 0.068 Uiso 1 1 calc R U . . .
C15 C 0.4460(5) 0.2353(5) 0.4882(7) 0.072(2) Uani 1 1 d . . . . .
H15 H 0.492043 0.203252 0.508690 0.086 Uiso 1 1 calc R U . . .
C16 C 0.4271(5) 0.2770(5) 0.3889(7) 0.076(3) Uani 1 1 d . . . . .
H16 H 0.461380 0.273091 0.343811 0.092 Uiso 1 1 calc R U . . .
C17 C 0.3584(5) 0.3237(4) 0.3574(6) 0.061(2) Uani 1 1 d . . . . .
C18 C -0.0465(4) 0.3537(4) 0.3372(5) 0.0468(16) Uani 1 1 d . . . . .
H18 H -0.056919 0.352658 0.405529 0.056 Uiso 1 1 calc R U . . .
C19 C -0.0787(5) 0.3078(4) 0.1487(6) 0.067(2) Uani 1 1 d . . . . .
H19A H -0.031832 0.338995 0.149857 0.100 Uiso 1 1 calc R U . . .
H19B H -0.128146 0.326452 0.093406 0.100 Uiso 1 1 calc R U . . .
H19C H -0.068199 0.257140 0.130465 0.100 Uiso 1 1 calc R U . . .
C20 C -0.1556(5) 0.2615(5) 0.2722(7) 0.081(3) Uani 1 1 d . . . . .
H20A H -0.144273 0.210184 0.257928 0.121 Uiso 1 1 calc R U . . .
H20B H -0.208614 0.276385 0.220795 0.121 Uiso 1 1 calc R U . . .
H20C H -0.157280 0.265965 0.347517 0.121 Uiso 1 1 calc R U . . .
C21 C 0.2305(5) 0.4707(5) 0.6954(6) 0.062(2) Uani 1 1 d . . . . .
H21 H 0.259884 0.438658 0.662826 0.074 Uiso 1 1 calc R U . . .
C22 C 0.2092(9) 0.5190(6) 0.8597(9) 0.119(4) Uani 1 1 d . . . . .
H22A H 0.229886 0.569324 0.859120 0.179 Uiso 1 1 calc R U . . .
H22B H 0.219896 0.502743 0.935611 0.179 Uiso 1 1 calc R U . . .
H22C H 0.150057 0.518120 0.821480 0.179 Uiso 1 1 calc R U . . .
C23 C 0.3132(7) 0.4201(7) 0.8763(9) 0.149(6) Uani 1 1 d . . . . .
H23A H 0.288894 0.392614 0.924064 0.224 Uiso 1 1 calc R U . . .
H23B H 0.359497 0.449371 0.921243 0.224 Uiso 1 1 calc R U . . .
H23C H 0.332391 0.385502 0.831144 0.224 Uiso 1 1 calc R U . . .
C24 C 0.5567(12) 0.0256(10) 0.8689(16) 0.179(7) Uani 1 1 d . U . . .
H24A H 0.603226 0.050802 0.921208 0.269 Uiso 1 1 calc R U . . .
H24B H 0.564750 -0.027800 0.876668 0.269 Uiso 1 1 calc R U . . .
H24C H 0.505990 0.039172 0.883645 0.269 Uiso 1 1 calc R U . . .
C25 C 0.4814(10) 0.0245(9) 0.6626(14) 0.181(7) Uani 1 1 d . U . . .
H25A H 0.473706 0.059096 0.601588 0.271 Uiso 1 1 calc R U . . .
H25B H 0.431849 0.023439 0.684770 0.271 Uiso 1 1 calc R U . . .
H25C H 0.492020 -0.024909 0.639227 0.271 Uiso 1 1 calc R U . . .
C26 C 0.6056(10) 0.0970(9) 0.7368(16) 0.149(7) Uani 1 1 d . . . . .
H26 H 0.647923 0.114484 0.798880 0.178 Uiso 1 1 calc R U . . .
C27 C 0.6326(10) 0.1796(9) 0.3733(14) 0.195(7) Uani 1 1 d . U . . .
H27A H 0.585156 0.153577 0.382297 0.293 Uiso 1 1 calc R U . . .
H27B H 0.617787 0.230884 0.352697 0.293 Uiso 1 1 calc R U . . .
H27C H 0.677884 0.178217 0.442484 0.293 Uiso 1 1 calc R U . . .
C28 C 0.7147(10) 0.0965(9) 0.3098(14) 0.153(5) Uani 1 1 d . U . . .
H28 H 0.717952 0.065026 0.252295 0.183 Uiso 1 1 calc R U . . .
C29 C 0.6130(10) 0.1663(10) 0.1770(14) 0.207(8) Uani 1 1 d . U . . .
H29A H 0.611882 0.220178 0.170738 0.310 Uiso 1 1 calc R U . . .
H29B H 0.556728 0.147512 0.156443 0.310 Uiso 1 1 calc R U . . .
H29C H 0.640945 0.145478 0.127984 0.310 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 3.9522(7) 3_566 ?
Dy1 O1 2.371(4) 3_566 ?
Dy1 O1 2.398(4) . ?
Dy1 O2 2.355(4) . ?
Dy1 O4 2.611(5) . ?
Dy1 O5 2.520(5) . ?
Dy1 O7 2.389(4) . ?
Dy1 O8 2.375(4) . ?
Dy1 N1 2.480(4) . ?
Dy1 N2 2.516(5) . ?
O1 C1 1.338(6) . ?
O2 C11 1.268(7) . ?
O3 H3 0.8200 . ?
O3 C17 1.352(9) . ?
O4 N4 1.250(7) . ?
O5 N4 1.245(7) . ?
O6 N4 1.221(7) . ?
O7 C21 1.218(8) . ?
O8 C18 1.229(7) . ?
O9 C26 1.19(2) . ?
O10 C28 1.271(15) . ?
N1 C6 1.344(7) . ?
N1 C7 1.331(7) . ?
N2 N3 1.375(7) . ?
N2 C10 1.283(7) . ?
N3 C11 1.328(7) . ?
N5 C21 1.304(9) . ?
N5 C22 1.430(13) . ?
N5 C23 1.452(11) . ?
N6 C18 1.307(8) . ?
N6 C19 1.451(9) . ?
N6 C20 1.440(9) . ?
N7 C24 1.46(2) . ?
N7 C25 1.430(15) . ?
N7 C26 1.335(19) . ?
N8 C27 1.376(16) . ?
N8 C28 1.264(15) . ?
N8 C29 1.440(15) . ?
C1 C2 1.362(8) . ?
C1 C6 1.441(8) . ?
C2 H2 0.9300 . ?
C2 C3 1.411(8) . ?
C3 H3A 0.9300 . ?
C3 C4 1.378(9) . ?
C4 H4 0.9300 . ?
C4 C5 1.403(9) . ?
C5 C6 1.410(8) . ?
C5 C9 1.410(9) . ?
C7 C8 1.408(8) . ?
C7 C10 1.453(9) . ?
C8 H8 0.9300 . ?
C8 C9 1.363(9) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.483(8) . ?
C12 C13 1.403(8) . ?
C12 C17 1.378(9) . ?
C13 H13 0.9300 . ?
C13 C14 1.374(9) . ?
C14 H14 0.9300 . ?
C14 C15 1.357(10) . ?
C15 H15 0.9300 . ?
C15 C16 1.401(11) . ?
C16 H16 0.9300 . ?
C16 C17 1.377(10) . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 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
O1 Dy1 Dy1 34.26(9) 3_566 3_566 ?
O1 Dy1 Dy1 33.82(8) . 3_566 ?
O1 Dy1 O1 68.08(14) 3_566 . ?
O1 Dy1 O4 118.51(15) . . ?
O1 Dy1 O4 142.09(15) 3_566 . ?
O1 Dy1 O5 69.67(15) . . ?
O1 Dy1 O5 118.90(15) 3_566 . ?
O1 Dy1 O7 71.92(15) 3_566 . ?
O1 Dy1 O8 75.07(14) 3_566 . ?
O1 Dy1 N1 66.06(14) . . ?
O1 Dy1 N1 124.24(14) 3_566 . ?
O1 Dy1 N2 142.42(15) 3_566 . ?
O1 Dy1 N2 128.47(14) . . ?
O2 Dy1 Dy1 131.04(10) . 3_566 ?
O2 Dy1 O1 96.78(13) . 3_566 ?
O2 Dy1 O1 164.84(13) . . ?
O2 Dy1 O4 73.81(15) . . ?
O2 Dy1 O5 121.28(15) . . ?
O2 Dy1 O7 78.50(15) . . ?
O2 Dy1 O8 83.02(14) . . ?
O2 Dy1 N1 125.74(15) . . ?
O2 Dy1 N2 63.17(15) . . ?
O4 Dy1 Dy1 139.73(12) . 3_566 ?
O5 Dy1 Dy1 94.54(12) . 3_566 ?
O5 Dy1 O4 48.97(16) . . ?
O7 Dy1 Dy1 83.47(13) . 3_566 ?
O7 Dy1 O1 96.86(15) . . ?
O7 Dy1 O4 70.23(16) . . ?
O7 Dy1 O5 71.62(14) . . ?
O7 Dy1 N1 142.60(14) . . ?
O7 Dy1 N2 127.83(16) . . ?
O8 Dy1 Dy1 82.18(11) . 3_566 ?
O8 Dy1 O1 91.74(14) . . ?
O8 Dy1 O4 137.14(16) . . ?
O8 Dy1 O5 147.00(15) . . ?
O8 Dy1 O7 139.63(15) . . ?
O8 Dy1 N1 76.36(15) . . ?
O8 Dy1 N2 71.31(15) . . ?
N1 Dy1 Dy1 95.24(11) . 3_566 ?
N1 Dy1 O4 88.49(16) . . ?
N1 Dy1 O5 71.24(15) . . ?
N1 Dy1 N2 62.74(15) . . ?
N2 Dy1 Dy1 148.54(11) . 3_566 ?
N2 Dy1 O4 66.14(16) . . ?
N2 Dy1 O5 98.55(16) . . ?
Dy1 O1 Dy1 111.91(14) 3_566 . ?
C1 O1 Dy1 126.2(3) . 3_566 ?
C1 O1 Dy1 119.0(3) . . ?
C11 O2 Dy1 121.6(4) . . ?
C17 O3 H3 109.5 . . ?
N4 O4 Dy1 94.3(4) . . ?
N4 O5 Dy1 98.9(4) . . ?
C21 O7 Dy1 129.7(5) . . ?
C18 O8 Dy1 135.7(4) . . ?
C6 N1 Dy1 118.2(3) . . ?
C7 N1 Dy1 122.4(4) . . ?
C7 N1 C6 119.0(5) . . ?
N3 N2 Dy1 118.7(3) . . ?
C10 N2 Dy1 122.7(4) . . ?
C10 N2 N3 118.6(5) . . ?
C11 N3 N2 110.9(5) . . ?
O5 N4 O4 117.1(6) . . ?
O6 N4 O4 120.8(6) . . ?
O6 N4 O5 122.1(6) . . ?
C21 N5 C22 119.9(8) . . ?
C21 N5 C23 124.2(9) . . ?
C22 N5 C23 115.9(9) . . ?
C18 N6 C19 121.3(6) . . ?
C18 N6 C20 122.2(6) . . ?
C20 N6 C19 116.5(6) . . ?
C25 N7 C24 120.2(15) . . ?
C26 N7 C24 120.6(14) . . ?
C26 N7 C25 118.8(14) . . ?
C27 N8 C29 116.8(12) . . ?
C28 N8 C27 123.7(14) . . ?
C28 N8 C29 119.6(14) . . ?
O1 C1 C2 124.6(5) . . ?
O1 C1 C6 118.5(5) . . ?
C2 C1 C6 116.9(5) . . ?
C1 C2 H2 118.7 . . ?
C1 C2 C3 122.5(6) . . ?
C3 C2 H2 118.7 . . ?
C2 C3 H3A 119.8 . . ?
C4 C3 C2 120.5(6) . . ?
C4 C3 H3A 119.8 . . ?
C3 C4 H4 120.2 . . ?
C3 C4 C5 119.6(6) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 119.3(6) . . ?
C4 C5 C9 125.1(6) . . ?
C9 C5 C6 115.6(6) . . ?
N1 C6 C1 115.4(5) . . ?
N1 C6 C5 123.4(5) . . ?
C5 C6 C1 121.1(5) . . ?
N1 C7 C8 122.0(6) . . ?
N1 C7 C10 115.9(5) . . ?
C8 C7 C10 122.0(6) . . ?
C7 C8 H8 120.7 . . ?
C9 C8 C7 118.6(6) . . ?
C9 C8 H8 120.7 . . ?
C5 C9 H9 119.4 . . ?
C8 C9 C5 121.3(6) . . ?
C8 C9 H9 119.4 . . ?
N2 C10 C7 116.2(5) . . ?
N2 C10 H10 121.9 . . ?
C7 C10 H10 121.9 . . ?
O2 C11 N3 124.8(6) . . ?
O2 C11 C12 119.8(5) . . ?
N3 C11 C12 115.4(5) . . ?
C13 C12 C11 119.0(6) . . ?
C17 C12 C11 122.6(6) . . ?
C17 C12 C13 118.4(6) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 C12 120.9(7) . . ?
C14 C13 H13 119.6 . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.7(7) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 120.5 . . ?
C14 C15 C16 119.1(7) . . ?
C16 C15 H15 120.5 . . ?
C15 C16 H16 119.7 . . ?
C17 C16 C15 120.7(7) . . ?
C17 C16 H16 119.7 . . ?
O3 C17 C12 122.9(6) . . ?
O3 C17 C16 116.9(7) . . ?
C16 C17 C12 120.2(7) . . ?
O8 C18 N6 124.4(6) . . ?
O8 C18 H18 117.8 . . ?
N6 C18 H18 117.8 . . ?
N6 C19 H19A 109.5 . . ?
N6 C19 H19B 109.5 . . ?
N6 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N6 C20 H20A 109.5 . . ?
N6 C20 H20B 109.5 . . ?
N6 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O7 C21 N5 125.6(8) . . ?
O7 C21 H21 117.2 . . ?
N5 C21 H21 117.2 . . ?
N5 C22 H22A 109.5 . . ?
N5 C22 H22B 109.5 . . ?
N5 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N5 C23 H23A 109.5 . . ?
N5 C23 H23B 109.5 . . ?
N5 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N7 C24 H24A 109.5 . . ?
N7 C24 H24B 109.5 . . ?
N7 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N7 C25 H25A 109.5 . . ?
N7 C25 H25B 109.5 . . ?
N7 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O9 C26 N7 125.2(17) . . ?
O9 C26 H26 117.4 . . ?
N7 C26 H26 117.4 . . ?
N8 C27 H27A 109.5 . . ?
N8 C27 H27B 109.5 . . ?
N8 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O10 C28 H28 119.5 . . ?
N8 C28 O10 121.0(15) . . ?
N8 C28 H28 119.5 . . ?
N8 C29 H29A 109.5 . . ?
N8 C29 H29B 109.5 . . ?
N8 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 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 O1 C1 C2 36.9(8) 3_566 . . . ?
Dy1 O1 C1 C2 -163.7(5) . . . . ?
Dy1 O1 C1 C6 -142.0(4) 3_566 . . . ?
Dy1 O1 C1 C6 17.4(7) . . . . ?
Dy1 O2 C11 N3 -10.4(8) . . . . ?
Dy1 O2 C11 C12 170.0(4) . . . . ?
Dy1 O4 N4 O5 -8.5(6) . . . . ?
Dy1 O4 N4 O6 173.5(5) . . . . ?
Dy1 O5 N4 O4 8.9(6) . . . . ?
Dy1 O5 N4 O6 -173.2(5) . . . . ?
Dy1 O7 C21 N5 -153.8(6) . . . . ?
Dy1 O8 C18 N6 175.7(4) . . . . ?
Dy1 N1 C6 C1 -7.6(6) . . . . ?
Dy1 N1 C6 C5 170.7(4) . . . . ?
Dy1 N1 C7 C8 -173.2(5) . . . . ?
Dy1 N1 C7 C10 3.6(7) . . . . ?
Dy1 N2 N3 C11 4.0(6) . . . . ?
Dy1 N2 C10 C7 1.5(7) . . . . ?
O1 C1 C2 C3 -176.2(6) . . . . ?
O1 C1 C6 N1 -6.1(8) . . . . ?
O1 C1 C6 C5 175.6(5) . . . . ?
O2 C11 C12 C13 8.7(9) . . . . ?
O2 C11 C12 C17 -171.4(6) . . . . ?
N1 C7 C8 C9 2.2(10) . . . . ?
N1 C7 C10 N2 -3.2(8) . . . . ?
N2 N3 C11 O2 3.7(8) . . . . ?
N2 N3 C11 C12 -176.6(5) . . . . ?
N3 N2 C10 C7 -176.6(5) . . . . ?
N3 C11 C12 C13 -171.0(5) . . . . ?
N3 C11 C12 C17 9.0(9) . . . . ?
C1 C2 C3 C4 -0.4(10) . . . . ?
C2 C1 C6 N1 174.9(5) . . . . ?
C2 C1 C6 C5 -3.5(9) . . . . ?
C2 C3 C4 C5 -1.4(11) . . . . ?
C3 C4 C5 C6 0.6(10) . . . . ?
C3 C4 C5 C9 -178.9(7) . . . . ?
C4 C5 C6 N1 -176.4(6) . . . . ?
C4 C5 C6 C1 1.9(9) . . . . ?
C4 C5 C9 C8 177.9(7) . . . . ?
C6 N1 C7 C8 -0.8(9) . . . . ?
C6 N1 C7 C10 176.0(5) . . . . ?
C6 C1 C2 C3 2.7(9) . . . . ?
C6 C5 C9 C8 -1.6(10) . . . . ?
C7 N1 C6 C1 179.7(5) . . . . ?
C7 N1 C6 C5 -2.0(9) . . . . ?
C7 C8 C9 C5 -0.8(11) . . . . ?
C8 C7 C10 N2 173.5(6) . . . . ?
C9 C5 C6 N1 3.2(9) . . . . ?
C9 C5 C6 C1 -178.6(6) . . . . ?
C10 N2 N3 C11 -177.8(5) . . . . ?
C10 C7 C8 C9 -174.4(6) . . . . ?
C11 C12 C13 C14 179.6(6) . . . . ?
C11 C12 C17 O3 -0.9(12) . . . . ?
C11 C12 C17 C16 178.4(7) . . . . ?
C12 C13 C14 C15 1.7(11) . . . . ?
C13 C12 C17 O3 179.0(7) . . . . ?
C13 C12 C17 C16 -1.7(11) . . . . ?
C13 C14 C15 C16 -1.1(13) . . . . ?
C14 C15 C16 C17 -0.9(13) . . . . ?
C15 C16 C17 O3 -178.3(8) . . . . ?
C15 C16 C17 C12 2.3(13) . . . . ?
C17 C12 C13 C14 -0.3(10) . . . . ?
C19 N6 C18 O8 -0.4(11) . . . . ?
C20 N6 C18 O8 -178.1(7) . . . . ?
C22 N5 C21 O7 -1.5(14) . . . . ?
C23 N5 C21 O7 177.6(9) . . . . ?
C24 N7 C26 O9 -177.8(18) . . . . ?
C25 N7 C26 O9 -5(3) . . . . ?
C27 N8 C28 O10 -18(2) . . . . ?
C29 N8 C28 O10 162.2(14) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4dy4
_database_code_depnum_ccdc_archive 'CCDC 1021522'
loop_
_audit_author_name
_audit_author_address
'Li Zhang'
;Changchun Institute of Applied Chemistry
China
;
_audit_update_record             
;
2021-06-11 deposited with the CCDC.	2021-06-11 downloaded from the CCDC.
;
_audit_creation_date             2021-06-04
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C72 H56 Dy4 N12 O16, 2(C H3 O), 4(O)'
_chemical_formula_sum            'C74 H72 Dy4 N12 O22'
_chemical_formula_weight         2131.43
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   19.5409(19)
_cell_length_b                   21.972(2)
_cell_length_c                   19.385(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.725(2)
_cell_angle_gamma                90
_cell_volume                     8305.4(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6892
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.81
_cell_measurement_theta_min      2.47
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.634
_exptl_absorpt_correction_T_max  0.559
_exptl_absorpt_correction_T_min  0.506
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Sadabs; bruker, 2000)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4160
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0719
_diffrn_reflns_av_unetI/netI     0.0882
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            25929
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.213
_diffrn_reflns_theta_min         1.396
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5466
_reflns_number_total             8337
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.537
_refine_diff_density_min         -1.103
_refine_diff_density_rms         0.183
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     509
_refine_ls_number_reflns         8337
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.0932
_refine_ls_R_factor_gt           0.0555
_refine_ls_restrained_S_all      1.050
_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)+(0.0761P)²+9.8480P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1446
_refine_ls_wR_factor_ref         0.1668
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C5-C7
 1.34 with sigma of 0.02
 C31-C32
 1.34 with sigma of 0.02
3. Rigid bond restraints
 C5, C7
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.02
 C32, C31
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(O12) \\sim Ueq, Uanis(C36) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.04
5.a Aromatic/amide H refined with riding coordinates:
 O7(H7), O8(H8), C2(H2), C3(H3), C4(H4), C7(H7A), C8(H8A), C10(H10), C13(H13),
 C14(H14), C15(H15), C16(H16), C20(H20), C21(H21), C22(H22), C24(H24), C25(H25),
  C27(H27), C30(H30), C31(H31), C32(H32), C33(H33)
5.b Idealised Me refined as rotating group:
 C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O6 O 0.1258(3) 0.1942(3) 0.7090(3) 0.0534(17) Uani 1 1 d . . . . .
Dy1 Dy 0.06511(2) 0.26341(2) 0.63461(2) 0.04532(16) Uani 1 1 d . . . . .
Dy2 Dy 0.12066(2) 0.21510(2) 0.82424(2) 0.04657(17) Uani 1 1 d . . . . .
O1 O 0.0707(3) 0.2122(3) 0.5307(4) 0.0616(19) Uani 1 1 d . . . . .
O2 O 0.0854(3) 0.2986(3) 0.7507(3) 0.0455(15) Uani 1 1 d . . . . .
O3 O 0.0496(3) 0.2832(3) 0.8807(3) 0.0445(15) Uani 1 1 d . . . . .
O4 O 0.2227(3) 0.2676(4) 0.8329(4) 0.069(2) Uani 1 1 d . . . . .
O5 O 0.0066(3) 0.1796(3) 0.8365(3) 0.0534(17) Uani 1 1 d . . . . .
O7 O 0.1445(4) 0.1908(4) 0.9434(4) 0.073(2) Uani 1 1 d . . . . .
H7 H 0.106373 0.196104 0.969112 0.088 Uiso 1 1 calc R U . . .
O8 O 0.1813(3) 0.2912(5) 0.6221(4) 0.082(3) Uani 1 1 d . . . . .
H8 H 0.199092 0.318297 0.655483 0.099 Uiso 1 1 calc R U . . .
O9 O 0.0391(5) 0.1469(6) 0.0005(5) 0.120(4) Uani 1 1 d . . . . .
O10 O 0.2527(7) 0.3552(9) 0.7310(5) 0.207(9) Uani 1 1 d . . . . .
O11 O 0.000000 0.5186(8) 0.750000 0.155(7) Uani 1 2 d S T P . .
O12 O 1.000000 0.9367(17) 0.750000 0.37(2) Uani 1 2 d S TU P . .
N1 N 0.0666(4) 0.3300(5) 0.5320(4) 0.059(2) Uani 1 1 d . . . . .
N2 N 0.0699(4) 0.3768(4) 0.6580(4) 0.051(2) Uani 1 1 d . . . . .
N3 N 0.0792(4) 0.4004(4) 0.7225(4) 0.055(2) Uani 1 1 d . . . . .
N4 N 0.2225(4) 0.1488(5) 0.8279(4) 0.064(3) Uani 1 1 d . . . . .
N5 N 0.1000(5) 0.1025(4) 0.8288(5) 0.072(3) Uani 1 1 d . . . . .
N6 N 0.0368(5) 0.0782(4) 0.8311(5) 0.070(3) Uani 1 1 d . . . . .
C1 C 0.0771(5) 0.2399(7) 0.4716(6) 0.062(3) Uani 1 1 d . . . . .
C2 C 0.0882(5) 0.2120(7) 0.4099(6) 0.081(4) Uani 1 1 d . . . . .
H2 H 0.091426 0.169820 0.407791 0.097 Uiso 1 1 calc R U . . .
C3 C 0.0947(7) 0.2468(9) 0.3501(7) 0.096(5) Uani 1 1 d . . . . .
H3 H 0.101199 0.226691 0.308802 0.115 Uiso 1 1 calc R U . . .
C4 C 0.0921(6) 0.3046(9) 0.3495(7) 0.086(4) Uani 1 1 d . . . . .
H4 H 0.097281 0.325948 0.308683 0.103 Uiso 1 1 calc R U . . .
C5 C 0.0816(6) 0.3356(7) 0.4100(6) 0.076(4) Uani 1 1 d D U . . .
C6 C 0.0751(4) 0.3038(7) 0.4699(5) 0.062(3) Uani 1 1 d . . . . .
C7 C 0.0774(7) 0.3966(8) 0.4151(6) 0.098(5) Uani 1 1 d D U . . .
H7A H 0.080583 0.418909 0.374672 0.118 Uiso 1 1 calc R U . . .
C8 C 0.0683(6) 0.4308(8) 0.4778(6) 0.092(5) Uani 1 1 d . . . . .
H8A H 0.065433 0.472968 0.479885 0.111 Uiso 1 1 calc R U . . .
C9 C 0.0642(5) 0.3904(7) 0.5373(6) 0.073(4) Uani 1 1 d . . . . .
C10 C 0.0660(6) 0.4159(6) 0.6086(6) 0.072(3) Uani 1 1 d . . . . .
H10 H 0.064474 0.457529 0.616822 0.086 Uiso 1 1 calc R U . . .
C11 C 0.0878(4) 0.3552(5) 0.7678(5) 0.046(2) Uani 1 1 d . . . . .
C12 C 0.1032(5) 0.3724(4) 0.8413(5) 0.049(2) Uani 1 1 d . . . . .
C13 C 0.1387(5) 0.4253(5) 0.8563(5) 0.059(3) Uani 1 1 d . . . . .
H13 H 0.149593 0.450616 0.820076 0.071 Uiso 1 1 calc R U . . .
C14 C 0.1588(6) 0.4422(6) 0.9230(6) 0.071(3) Uani 1 1 d . . . . .
H14 H 0.185305 0.476798 0.932191 0.086 Uiso 1 1 calc R U . . .
C15 C 0.1380(5) 0.4060(6) 0.9755(6) 0.066(3) Uani 1 1 d . . . . .
H15 H 0.147992 0.417856 1.021114 0.080 Uiso 1 1 calc R U . . .
C16 C 0.1027(5) 0.3526(5) 0.9623(5) 0.058(3) Uani 1 1 d . . . . .
H16 H 0.090885 0.327992 0.998671 0.069 Uiso 1 1 calc R U . . .
C17 C 0.0845(4) 0.3355(5) 0.8939(5) 0.048(2) Uani 1 1 d . . . . .
C18 C 0.2824(6) 0.1741(7) 0.8315(5) 0.071(4) Uani 1 1 d . . . . .
C19 C 0.2818(5) 0.2371(7) 0.8361(6) 0.070(4) Uani 1 1 d . . . . .
C20 C 0.3459(6) 0.2693(8) 0.8449(6) 0.098(5) Uani 1 1 d . . . . .
H20 H 0.346882 0.311366 0.850606 0.117 Uiso 1 1 calc R U . . .
C21 C 0.4070(6) 0.2356(10) 0.8446(7) 0.103(6) Uani 1 1 d . . . . .
H21 H 0.448593 0.256203 0.849669 0.124 Uiso 1 1 calc R U . . .
C22 C 0.4079(7) 0.1741(11) 0.8373(7) 0.114(7) Uani 1 1 d . . . . .
H22 H 0.449454 0.153658 0.835187 0.137 Uiso 1 1 calc R U . . .
C23 C 0.3455(6) 0.1412(8) 0.8329(6) 0.077(4) Uani 1 1 d . . . . .
C24 C 0.3388(8) 0.0798(10) 0.8263(7) 0.107(6) Uani 1 1 d . . . . .
H24 H 0.377963 0.056634 0.821333 0.128 Uiso 1 1 calc R U . . .
C25 C 0.2769(8) 0.0507(8) 0.8266(7) 0.107(5) Uani 1 1 d . . . . .
H25 H 0.273646 0.008471 0.826377 0.129 Uiso 1 1 calc R U . . .
C26 C 0.2182(6) 0.0883(7) 0.8274(7) 0.082(4) Uani 1 1 d . . . . .
C27 C 0.1487(7) 0.0636(7) 0.8271(7) 0.092(4) Uani 1 1 d . . . . .
H27 H 0.140281 0.021979 0.825832 0.110 Uiso 1 1 calc R U . . .
C28 C -0.0086(5) 0.1220(6) 0.8357(6) 0.060(3) Uani 1 1 d . . . . .
C29 C -0.0800(5) 0.1039(6) 0.8445(6) 0.069(3) Uani 1 1 d . . . . .
C30 C -0.0944(7) 0.0465(7) 0.8715(8) 0.107(5) Uani 1 1 d . . . . .
H30 H -0.058337 0.019707 0.881953 0.128 Uiso 1 1 calc R U . . .
C31 C -0.1584(8) 0.0287(8) 0.8829(11) 0.157(9) Uani 1 1 d D U . . .
H31 H -0.166144 -0.007530 0.905819 0.189 Uiso 1 1 calc R U . . .
C32 C -0.2113(7) 0.0647(8) 0.8602(9) 0.131(7) Uani 1 1 d D U . . .
H32 H -0.255828 0.050360 0.863136 0.157 Uiso 1 1 calc R U . . .
C33 C -0.2015(6) 0.1227(7) 0.8326(6) 0.087(4) Uani 1 1 d . . . . .
H33 H -0.238480 0.148537 0.822179 0.104 Uiso 1 1 calc R U . . .
C34 C -0.1352(5) 0.1406(6) 0.8212(6) 0.064(3) Uani 1 1 d . . . . .
C35 C 0.2012(7) 0.1708(10) 0.9836(7) 0.132(7) Uani 1 1 d . . . . .
H35A H 0.202497 0.127151 0.983200 0.198 Uiso 1 1 calc R U . . .
H35B H 0.198331 0.184927 1.030192 0.198 Uiso 1 1 calc R U . . .
H35C H 0.242134 0.186526 0.965272 0.198 Uiso 1 1 calc R U . . .
C36 C 0.2270(9) 0.2744(13) 0.5746(12) 0.207(12) Uani 1 1 d . U . . .
H36A H 0.204513 0.248308 0.540494 0.310 Uiso 1 1 calc R U . . .
H36B H 0.264852 0.253115 0.597609 0.310 Uiso 1 1 calc R U . . .
H36C H 0.243604 0.310096 0.552492 0.310 Uiso 1 1 calc R U . . .
C37 C 0.0376(10) 0.0895(9) 0.0260(11) 0.157(8) Uani 1 1 d . . . . .
H37A H 0.030824 0.061148 -0.011471 0.235 Uiso 1 1 calc R U . . .
H37B H 0.000610 0.085955 0.056018 0.235 Uiso 1 1 calc R U . . .
H37C H 0.080219 0.080908 0.051510 0.235 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
O6 Dy1 2.362(7) . ?
O6 Dy2 2.289(6) . ?
O6 C34 1.333(12) 2_556 ?
Dy1 Dy2 3.9135(7) 2_556 ?
Dy1 Dy2 3.9115(7) . ?
Dy1 O1 2.316(7) . ?
Dy1 O2 2.388(6) . ?
Dy1 O3 2.284(6) 2_556 ?
Dy1 O5 2.402(7) 2_556 ?
Dy1 O8 2.379(7) . ?
Dy1 N1 2.471(9) . ?
Dy1 N2 2.534(9) . ?
Dy2 O2 2.397(6) . ?
Dy2 O3 2.358(6) . ?
Dy2 O4 2.299(7) . ?
Dy2 O5 2.388(6) . ?
Dy2 O7 2.387(7) . ?
Dy2 N4 2.464(9) . ?
Dy2 N5 2.509(10) . ?
O1 C1 1.312(13) . ?
O2 C11 1.288(11) . ?
O3 C17 1.351(11) . ?
O4 C19 1.333(13) . ?
O5 C28 1.300(13) . ?
O7 H7 0.9300 . ?
O7 C35 1.384(14) . ?
O8 H8 0.9300 . ?
O8 C36 1.37(2) . ?
O9 C37 1.35(2) . ?
N1 C6 1.353(13) . ?
N1 C9 1.334(16) . ?
N2 N3 1.354(10) . ?
N2 C10 1.285(14) . ?
N3 C11 1.330(12) . ?
N4 C18 1.294(14) . ?
N4 C26 1.331(17) . ?
N5 N6 1.350(12) . ?
N5 C27 1.281(15) . ?
N6 C28 1.317(13) . ?
C1 C2 1.373(15) . ?
C1 C6 1.405(18) . ?
C2 H2 0.9300 . ?
C2 C3 1.40(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.27(2) . ?
C4 H4 0.9300 . ?
C4 C5 1.382(18) . ?
C5 C6 1.369(16) . ?
C5 C7 1.347(15) . ?
C7 H7A 0.9300 . ?
C7 C8 1.449(19) . ?
C8 H8A 0.9300 . ?
C8 C9 1.461(16) . ?
C9 C10 1.488(16) . ?
C10 H10 0.9300 . ?
C11 C12 1.485(13) . ?
C12 C13 1.376(14) . ?
C12 C17 1.370(13) . ?
C13 H13 0.9300 . ?
C13 C14 1.379(14) . ?
C14 H14 0.9300 . ?
C14 C15 1.374(15) . ?
C15 H15 0.9300 . ?
C15 C16 1.376(15) . ?
C16 H16 0.9300 . ?
C16 C17 1.402(13) . ?
C18 C19 1.387(19) . ?
C18 C23 1.430(16) . ?
C19 C20 1.439(16) . ?
C20 H20 0.9300 . ?
C20 C21 1.41(2) . ?
C21 H21 0.9300 . ?
C21 C22 1.36(2) . ?
C22 H22 0.9300 . ?
C22 C23 1.42(2) . ?
C23 C24 1.36(2) . ?
C24 H24 0.9300 . ?
C24 C25 1.37(2) . ?
C25 H25 0.9300 . ?
C25 C26 1.414(17) . ?
C26 C27 1.462(18) . ?
C27 H27 0.9300 . ?
C28 C29 1.470(14) . ?
C29 C30 1.402(17) . ?
C29 C34 1.398(15) . ?
C30 H30 0.9300 . ?
C30 C31 1.341(18) . ?
C31 H31 0.9300 . ?
C31 C32 1.352(15) . ?
C32 H32 0.9300 . ?
C32 C33 1.402(19) . ?
C33 H33 0.9300 . ?
C33 C34 1.386(14) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 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
Dy2 O6 Dy1 114.5(3) . . ?
C34 O6 Dy1 112.2(6) 2_556 . ?
C34 O6 Dy2 128.5(7) 2_556 . ?
O6 Dy1 Dy2 32.17(16) . . ?
O6 Dy1 Dy2 97.82(16) . 2_556 ?
O6 Dy1 O2 65.6(2) . . ?
O6 Dy1 O5 69.0(2) . 2_556 ?
O6 Dy1 O8 77.5(3) . . ?
O6 Dy1 N1 147.3(3) . . ?
O6 Dy1 N2 120.9(2) . . ?
Dy2 Dy1 Dy2 86.520(14) . 2_556 ?
O1 Dy1 O6 99.7(2) . . ?
O1 Dy1 Dy2 98.17(17) . 2_556 ?
O1 Dy1 Dy2 131.28(19) . . ?
O1 Dy1 O2 164.3(2) . . ?
O1 Dy1 O5 83.8(2) . 2_556 ?
O1 Dy1 O8 86.4(3) . . ?
O1 Dy1 N1 65.4(3) . . ?
O1 Dy1 N2 129.1(3) . . ?
O2 Dy1 Dy2 35.23(16) . . ?
O2 Dy1 Dy2 89.73(14) . 2_556 ?
O2 Dy1 O5 95.3(2) . 2_556 ?
O2 Dy1 N1 123.9(3) . . ?
O2 Dy1 N2 60.7(2) . . ?
O3 Dy1 O6 130.6(2) 2_556 . ?
O3 Dy1 Dy2 33.12(15) 2_556 2_556 ?
O3 Dy1 Dy2 112.57(15) 2_556 . ?
O3 Dy1 O1 94.6(2) 2_556 . ?
O3 Dy1 O2 99.4(2) 2_556 . ?
O3 Dy1 O5 66.0(2) 2_556 2_556 ?
O3 Dy1 O8 150.9(3) 2_556 . ?
O3 Dy1 N1 81.1(2) 2_556 . ?
O3 Dy1 N2 82.0(2) 2_556 . ?
O5 Dy1 Dy2 35.09(15) 2_556 2_556 ?
O5 Dy1 Dy2 72.74(15) 2_556 . ?
O5 Dy1 N1 132.8(3) 2_556 . ?
O5 Dy1 N2 136.7(2) 2_556 . ?
O8 Dy1 Dy2 87.5(2) . . ?
O8 Dy1 Dy2 174.0(2) . 2_556 ?
O8 Dy1 O2 84.9(2) . . ?
O8 Dy1 O5 142.7(3) . 2_556 ?
O8 Dy1 N1 72.8(3) . . ?
O8 Dy1 N2 75.0(3) . . ?
N1 Dy1 Dy2 154.2(2) . . ?
N1 Dy1 Dy2 112.60(17) . 2_556 ?
N1 Dy1 N2 63.9(3) . . ?
N2 Dy1 Dy2 104.71(17) . 2_556 ?
N2 Dy1 Dy2 95.38(17) . . ?
O6 Dy2 Dy1 33.34(16) . . ?
O6 Dy2 Dy1 110.69(15) . 2_556 ?
O6 Dy2 O2 66.6(2) . . ?
O6 Dy2 O3 130.1(2) . . ?
O6 Dy2 O4 94.6(2) . . ?
O6 Dy2 O5 97.6(2) . . ?
O6 Dy2 O7 151.8(3) . . ?
O6 Dy2 N4 79.8(2) . . ?
O6 Dy2 N5 81.6(3) . . ?
Dy1 Dy2 Dy1 85.040(14) . 2_556 ?
O2 Dy2 Dy1 35.09(14) . . ?
O2 Dy2 Dy1 71.29(14) . 2_556 ?
O2 Dy2 N4 132.1(3) . . ?
O2 Dy2 N5 137.3(2) . . ?
O3 Dy2 Dy1 97.37(15) . . ?
O3 Dy2 Dy1 31.95(14) . 2_556 ?
O3 Dy2 O2 68.6(2) . . ?
O3 Dy2 O5 65.1(2) . . ?
O3 Dy2 O7 77.1(2) . . ?
O3 Dy2 N4 149.4(3) . . ?
O3 Dy2 N5 120.5(3) . . ?
O4 Dy2 Dy1 131.3(2) . 2_556 ?
O4 Dy2 Dy1 96.8(2) . . ?
O4 Dy2 O2 82.8(3) . . ?
O4 Dy2 O3 100.5(2) . . ?
O4 Dy2 O5 165.2(3) . . ?
O4 Dy2 O7 85.8(3) . . ?
O4 Dy2 N4 66.4(3) . . ?
O4 Dy2 N5 129.2(3) . . ?
O5 Dy2 Dy1 35.32(17) . 2_556 ?
O5 Dy2 Dy1 88.76(16) . . ?
O5 Dy2 O2 94.3(2) . . ?
O5 Dy2 N4 124.1(3) . . ?
O5 Dy2 N5 61.4(3) . . ?
O7 Dy2 Dy1 89.35(17) . 2_556 ?
O7 Dy2 Dy1 174.22(18) . . ?
O7 Dy2 O2 141.0(3) . . ?
O7 Dy2 O5 87.4(2) . . ?
O7 Dy2 N4 74.5(3) . . ?
O7 Dy2 N5 76.6(3) . . ?
N4 Dy2 Dy1 111.2(2) . . ?
N4 Dy2 Dy1 155.9(2) . 2_556 ?
N4 Dy2 N5 63.1(3) . . ?
N5 Dy2 Dy1 105.4(2) . . ?
N5 Dy2 Dy1 96.1(2) . 2_556 ?
C1 O1 Dy1 123.2(7) . . ?
Dy1 O2 Dy2 109.7(2) . . ?
C11 O2 Dy1 123.8(6) . . ?
C11 O2 Dy2 125.6(6) . . ?
Dy1 O3 Dy2 114.9(3) 2_556 . ?
C17 O3 Dy1 131.7(5) . 2_556 ?
C17 O3 Dy2 108.8(5) . . ?
C19 O4 Dy2 119.8(8) . . ?
Dy2 O5 Dy1 109.6(3) . 2_556 ?
C28 O5 Dy1 127.8(6) . 2_556 ?
C28 O5 Dy2 122.1(6) . . ?
Dy2 O7 H7 112.2 . . ?
C35 O7 Dy2 135.6(8) . . ?
C35 O7 H7 112.2 . . ?
Dy1 O8 H8 114.1 . . ?
C36 O8 Dy1 131.7(11) . . ?
C36 O8 H8 114.1 . . ?
C6 N1 Dy1 118.2(8) . . ?
C9 N1 Dy1 121.6(7) . . ?
C9 N1 C6 120.0(10) . . ?
N3 N2 Dy1 122.9(6) . . ?
C10 N2 Dy1 121.6(7) . . ?
C10 N2 N3 115.5(10) . . ?
C11 N3 N2 109.2(8) . . ?
C18 N4 Dy2 118.2(9) . . ?
C18 N4 C26 119.1(11) . . ?
C26 N4 Dy2 122.7(8) . . ?
N6 N5 Dy2 122.8(7) . . ?
C27 N5 Dy2 122.4(9) . . ?
C27 N5 N6 114.8(11) . . ?
C28 N6 N5 109.5(9) . . ?
O1 C1 C2 125.7(13) . . ?
O1 C1 C6 118.7(10) . . ?
C2 C1 C6 115.6(12) . . ?
C1 C2 H2 119.9 . . ?
C1 C2 C3 120.3(15) . . ?
C3 C2 H2 119.9 . . ?
C2 C3 H3 118.4 . . ?
C4 C3 C2 123.2(14) . . ?
C4 C3 H3 118.4 . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.5(15) . . ?
C5 C4 H4 120.3 . . ?
C6 C5 C4 119.7(15) . . ?
C7 C5 C4 124.5(14) . . ?
C7 C5 C6 115.8(12) . . ?
N1 C6 C1 114.2(10) . . ?
N1 C6 C5 124.1(13) . . ?
C5 C6 C1 121.7(12) . . ?
C5 C7 H7A 117.0 . . ?
C5 C7 C8 126.1(12) . . ?
C8 C7 H7A 117.0 . . ?
C7 C8 H8A 124.3 . . ?
C7 C8 C9 111.4(14) . . ?
C9 C8 H8A 124.3 . . ?
N1 C9 C8 122.6(12) . . ?
N1 C9 C10 116.6(10) . . ?
C8 C9 C10 120.4(13) . . ?
N2 C10 C9 116.0(12) . . ?
N2 C10 H10 122.0 . . ?
C9 C10 H10 122.0 . . ?
O2 C11 N3 123.3(9) . . ?
O2 C11 C12 119.6(9) . . ?
N3 C11 C12 117.0(9) . . ?
C13 C12 C11 119.0(9) . . ?
C17 C12 C11 121.0(9) . . ?
C17 C12 C13 120.0(9) . . ?
C12 C13 H13 118.9 . . ?
C12 C13 C14 122.3(11) . . ?
C14 C13 H13 118.9 . . ?
C13 C14 H14 121.3 . . ?
C15 C14 C13 117.4(11) . . ?
C15 C14 H14 121.3 . . ?
C14 C15 H15 119.2 . . ?
C14 C15 C16 121.6(10) . . ?
C16 C15 H15 119.2 . . ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 119.9(11) . . ?
C17 C16 H16 120.0 . . ?
O3 C17 C12 121.2(8) . . ?
O3 C17 C16 120.1(9) . . ?
C12 C17 C16 118.7(10) . . ?
N4 C18 C19 115.0(10) . . ?
N4 C18 C23 124.0(15) . . ?
C19 C18 C23 121.0(13) . . ?
O4 C19 C18 120.5(10) . . ?
O4 C19 C20 120.3(14) . . ?
C18 C19 C20 119.2(12) . . ?
C19 C20 H20 120.9 . . ?
C21 C20 C19 118.2(16) . . ?
C21 C20 H20 120.9 . . ?
C20 C21 H21 118.6 . . ?
C22 C21 C20 122.8(14) . . ?
C22 C21 H21 118.6 . . ?
C21 C22 H22 120.1 . . ?
C21 C22 C23 119.8(14) . . ?
C23 C22 H22 120.1 . . ?
C22 C23 C18 118.8(16) . . ?
C24 C23 C18 114.9(14) . . ?
C24 C23 C22 126.2(14) . . ?
C23 C24 H24 118.5 . . ?
C23 C24 C25 122.9(14) . . ?
C25 C24 H24 118.5 . . ?
C24 C25 H25 121.8 . . ?
C24 C25 C26 116.4(17) . . ?
C26 C25 H25 121.8 . . ?
N4 C26 C25 122.2(14) . . ?
N4 C26 C27 115.3(10) . . ?
C25 C26 C27 122.5(15) . . ?
N5 C27 C26 116.4(13) . . ?
N5 C27 H27 121.8 . . ?
C26 C27 H27 121.8 . . ?
O5 C28 N6 123.9(9) . . ?
O5 C28 C29 118.7(10) . . ?
N6 C28 C29 117.3(10) . . ?
C30 C29 C28 120.2(11) . . ?
C34 C29 C28 121.6(10) . . ?
C34 C29 C30 118.0(10) . . ?
C29 C30 H30 118.8 . . ?
C31 C30 C29 122.4(14) . . ?
C31 C30 H30 118.8 . . ?
C30 C31 H31 120.7 . . ?
C30 C31 C32 118.6(14) . . ?
C32 C31 H31 120.7 . . ?
C31 C32 H32 118.8 . . ?
C31 C32 C33 122.3(13) . . ?
C33 C32 H32 118.8 . . ?
C32 C33 H33 121.0 . . ?
C34 C33 C32 118.1(13) . . ?
C34 C33 H33 121.0 . . ?
O6 C34 C29 121.7(9) 2_556 . ?
O6 C34 C33 118.5(10) 2_556 . ?
C33 C34 C29 119.7(11) . . ?
O7 C35 H35A 109.5 . . ?
O7 C35 H35B 109.5 . . ?
O7 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
O8 C36 H36A 109.5 . . ?
O8 C36 H36B 109.5 . . ?
O8 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O9 C37 H37A 109.5 . . ?
O9 C37 H37B 109.5 . . ?
O9 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 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 O1 C1 C2 172.4(8) . . . . ?
Dy1 O1 C1 C6 -5.3(12) . . . . ?
Dy1 O2 C11 N3 0.0(11) . . . . ?
Dy1 O2 C11 C12 -177.9(6) . . . . ?
Dy1 O3 C17 C12 -88.1(10) 2_556 . . . ?
Dy1 O3 C17 C16 92.4(10) 2_556 . . . ?
Dy1 O5 C28 N6 -167.7(8) 2_556 . . . ?
Dy1 O5 C28 C29 8.5(14) 2_556 . . . ?
Dy1 N1 C6 C1 4.3(10) . . . . ?
Dy1 N1 C6 C5 -175.3(8) . . . . ?
Dy1 N1 C9 C8 177.0(7) . . . . ?
Dy1 N1 C9 C10 4.6(13) . . . . ?
Dy1 N2 N3 C11 2.6(9) . . . . ?
Dy1 N2 C10 C9 -4.6(13) . . . . ?
Dy2 O2 C11 N3 167.9(6) . . . . ?
Dy2 O2 C11 C12 -10.0(11) . . . . ?
Dy2 O3 C17 C12 65.9(9) . . . . ?
Dy2 O3 C17 C16 -113.6(8) . . . . ?
Dy2 O4 C19 C18 2.6(14) . . . . ?
Dy2 O4 C19 C20 -177.0(8) . . . . ?
Dy2 O5 C28 N6 3.0(15) . . . . ?
Dy2 O5 C28 C29 179.1(7) . . . . ?
Dy2 N4 C18 C19 2.9(13) . . . . ?
Dy2 N4 C18 C23 -179.0(8) . . . . ?
Dy2 N4 C26 C25 177.3(9) . . . . ?
Dy2 N4 C26 C27 -2.2(16) . . . . ?
Dy2 N5 N6 C28 -4.7(13) . . . . ?
Dy2 N5 C27 C26 4.2(16) . . . . ?
O1 C1 C2 C3 -179.6(10) . . . . ?
O1 C1 C6 N1 0.3(13) . . . . ?
O1 C1 C6 C5 179.9(9) . . . . ?
O2 C11 C12 C13 147.5(9) . . . . ?
O2 C11 C12 C17 -30.5(13) . . . . ?
O4 C19 C20 C21 -177.0(11) . . . . ?
O5 C28 C29 C30 -154.0(13) . . . . ?
O5 C28 C29 C34 31.5(17) . . . . ?
N1 C9 C10 N2 0.1(15) . . . . ?
N2 N3 C11 O2 -1.7(12) . . . . ?
N2 N3 C11 C12 176.3(7) . . . . ?
N3 N2 C10 C9 172.9(8) . . . . ?
N3 C11 C12 C13 -30.6(13) . . . . ?
N3 C11 C12 C17 151.5(9) . . . . ?
N4 C18 C19 O4 -3.7(16) . . . . ?
N4 C18 C19 C20 175.9(10) . . . . ?
N4 C18 C23 C22 -179.6(11) . . . . ?
N4 C18 C23 C24 3.5(18) . . . . ?
N4 C26 C27 N5 -1.3(18) . . . . ?
N5 N6 C28 O5 1.2(15) . . . . ?
N5 N6 C28 C29 -175.0(9) . . . . ?
N6 N5 C27 C26 -177.7(10) . . . . ?
N6 C28 C29 C30 22.4(18) . . . . ?
N6 C28 C29 C34 -152.1(12) . . . . ?
C1 C2 C3 C4 1(2) . . . . ?
C2 C1 C6 N1 -177.7(8) . . . . ?
C2 C1 C6 C5 1.9(14) . . . . ?
C2 C3 C4 C5 -1(2) . . . . ?
C3 C4 C5 C6 0.9(19) . . . . ?
C3 C4 C5 C7 -179.3(14) . . . . ?
C4 C5 C6 N1 178.1(10) . . . . ?
C4 C5 C6 C1 -1.5(16) . . . . ?
C4 C5 C7 C8 -178.2(11) . . . . ?
C5 C7 C8 C9 0.1(18) . . . . ?
C6 N1 C9 C8 1.9(15) . . . . ?
C6 N1 C9 C10 -170.5(8) . . . . ?
C6 C1 C2 C3 -1.8(15) . . . . ?
C6 C5 C7 C8 2(2) . . . . ?
C7 C5 C6 N1 -1.7(16) . . . . ?
C7 C5 C6 C1 178.7(11) . . . . ?
C7 C8 C9 N1 -1.9(15) . . . . ?
C7 C8 C9 C10 170.3(10) . . . . ?
C8 C9 C10 N2 -172.5(10) . . . . ?
C9 N1 C6 C1 179.6(9) . . . . ?
C9 N1 C6 C5 0.0(14) . . . . ?
C10 N2 N3 C11 -175.0(9) . . . . ?
C11 C12 C13 C14 -175.7(9) . . . . ?
C11 C12 C17 O3 -2.0(14) . . . . ?
C11 C12 C17 C16 177.5(8) . . . . ?
C12 C13 C14 C15 -4.2(17) . . . . ?
C13 C12 C17 O3 -180.0(9) . . . . ?
C13 C12 C17 C16 -0.5(14) . . . . ?
C13 C14 C15 C16 4.5(17) . . . . ?
C14 C15 C16 C17 -2.8(17) . . . . ?
C15 C16 C17 O3 -179.8(9) . . . . ?
C15 C16 C17 C12 0.7(14) . . . . ?
C17 C12 C13 C14 2.3(16) . . . . ?
C18 N4 C26 C25 -3.7(19) . . . . ?
C18 N4 C26 C27 176.8(10) . . . . ?
C18 C19 C20 C21 3.4(18) . . . . ?
C18 C23 C24 C25 -8(2) . . . . ?
C19 C18 C23 C22 -1.7(17) . . . . ?
C19 C18 C23 C24 -178.5(12) . . . . ?
C19 C20 C21 C22 -1(2) . . . . ?
C20 C21 C22 C23 -3(2) . . . . ?
C21 C22 C23 C18 4(2) . . . . ?
C21 C22 C23 C24 -179.2(15) . . . . ?
C22 C23 C24 C25 175.8(13) . . . . ?
C23 C18 C19 O4 178.2(10) . . . . ?
C23 C18 C19 C20 -2.1(17) . . . . ?
C23 C24 C25 C26 6(2) . . . . ?
C24 C25 C26 N4 0(2) . . . . ?
C24 C25 C26 C27 179.4(13) . . . . ?
C25 C26 C27 N5 179.1(12) . . . . ?
C26 N4 C18 C19 -176.1(11) . . . . ?
C26 N4 C18 C23 1.9(17) . . . . ?
C27 N5 N6 C28 177.3(11) . . . . ?
C28 C29 C30 C31 177.6(16) . . . . ?
C28 C29 C34 O6 -1.2(18) . . . 2_556 ?
C28 C29 C34 C33 -177.9(12) . . . . ?
C29 C30 C31 C32 8(3) . . . . ?
C30 C29 C34 O6 -175.8(13) . . . 2_556 ?
C30 C29 C34 C33 7(2) . . . . ?
C30 C31 C32 C33 -7(3) . . . . ?
C31 C32 C33 C34 7(3) . . . . ?
C32 C33 C34 O6 175.9(13) . . . 2_556 ?
C32 C33 C34 C29 -7(2) . . . . ?
C34 C29 C30 C31 -8(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form

_vrf_PLAT260_4dy4                
;
PROBLEM: Large Average Ueq of Residue Including       O12      0.372 CheckRESPONSE: It is a disordered water molecule.
;
_vrf_PLAT306_4dy4                
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......O10 CheckRESPONSE: It is a disordered water molecule.
;


_vrf_PLAT430_4dy4                
;
PROBLEM: Short Inter D...A Contact  O1   ..O9. 2.62 Ang. -x,y,1/2-z  =  2_555 CheckRESPONSE: The associated hydrogen atoms can not be defined from X-ray diffraction data.
;

# end Validation Reply Form


####################################################################### 
# 
# 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_51D
_database_code_depnum_ccdc_archive 'CCDC 1021523'
loop_
_audit_author_name
_audit_author_address
'Li Zhang'
;Changchun Institute of Applied Chemistry
China
;
_audit_update_record             
;
2021-06-11 deposited with the CCDC.	2021-06-11 downloaded from the CCDC.
;
_audit_creation_date             2021-06-04
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C97 H70 Dy4 N12 O22, 2(C H4 O), O, C2 H3 N'
_chemical_formula_sum            'C101 H83 Dy4 N13 O25'
_chemical_formula_weight         2528.80
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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                   14.4228(7)
_cell_length_b                   17.5511(9)
_cell_length_c                   20.2386(10)
_cell_angle_alpha                106.3810(10)
_cell_angle_beta                 94.9340(10)
_cell_angle_gamma                93.7770(10)
_cell_volume                     4875.1(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6589
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.98
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   0.604
_shelx_estimated_absorpt_T_min   0.561
_exptl_absorpt_coefficient_mu    3.113
_exptl_absorpt_correction_T_max  0.6042
_exptl_absorpt_correction_T_min  0.5609
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Sadabs; bruker, 2000)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2488
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_unetI/netI     0.0952
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            25173
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.076
_diffrn_reflns_theta_max         25.076
_diffrn_reflns_theta_min         1.215
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           35.0
_diffrn_source_power             1.575
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12540
_reflns_number_total             17127
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_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    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.653
_refine_diff_density_min         -1.076
_refine_diff_density_rms         0.176
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1304
_refine_ls_number_reflns         17127
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0765
_refine_ls_R_factor_gt           0.0524
_refine_ls_restrained_S_all      1.044
_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)+(0.0358P)²+2.7236P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1045
_refine_ls_wR_factor_ref         0.1199
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H17 of O17, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H6 of O6, H12 of O12, H24A of O24, H23 of O23
2. Uiso/Uaniso restraints and constraints
Uanis(O25) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 O17(H17), N3(H3), N9(H9), C3(H3A), C4(H4), C5(H5), C7(H7), C8(H8), C10(H10),
 C13(H13), C14(H14), C15(H15), C16(H16), C20(H20), C21(H21), C22(H22), C24(H24),
  C25(H25), C27(H27), C30(H30), C31(H31), C32(H32), C33(H33), C37(H37),
 C38(H38), C39(H39), C41(H41), C42(H42), C44(H44), C47(H47), C48(H48), C49(H49),
  C50(H50), C54(H54), C55(H55), C56(H56), C58(H58), C59(H59), C61(H61),
 C64(H64), C65(H65), C66(H66), C67(H67), C71(H71), C72(H72), C73(H73), C74(H74),
  C75(H75), C78(H78), C79(H79), C80(H80), C81(H81), C82(H82), C86(H86),
 C87(H87), C88(H88), C89(H89), C90(H90), C93(H93), C94(H94), C95(H95), C96(H96),
  C97(H97)
3.b Idealised Me refined as rotating group:
 C83(H83A,H83B,H83C), C98(H98A,H98B,H98C), C99(H99A,H99B,H99C), C100(H10A,H10B,
 H10C)
3.c Idealised tetrahedral OH refined as rotating group:
 O6(H6), O12(H12), O23(H23), O24(H24A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 1.20874(3) 1.28668(2) 0.23151(2) 0.02045(11) Uani 1 1 d . . . . .
Dy2 Dy 1.08459(3) 1.09717(2) 0.24051(2) 0.02098(11) Uani 1 1 d . . . . .
Dy3 Dy 0.68961(3) 0.79023(2) 0.23361(2) 0.01954(10) Uani 1 1 d . . . . .
Dy4 Dy 0.58924(3) 0.60851(2) 0.27474(2) 0.02122(11) Uani 1 1 d . . . . .
O1 O 1.1394(4) 1.1647(3) 0.1587(3) 0.0223(13) Uani 1 1 d . . . . .
O2 O 1.2619(4) 1.3978(3) 0.3265(3) 0.0264(14) Uani 1 1 d . . . . .
O3 O 1.4530(4) 1.5838(3) 0.3196(3) 0.0293(14) Uani 1 1 d . . . . .
O4 O 1.1211(4) 1.2337(3) 0.3007(3) 0.0242(13) Uani 1 1 d . . . . .
O5 O 1.0651(4) 0.9739(3) 0.1567(3) 0.0278(14) Uani 1 1 d . . . . .
O6 O 1.1285(7) 0.7561(4) 0.1896(4) 0.069(2) Uani 1 1 d . . . . .
H6 H 1.124430 0.798979 0.218323 0.104 Uiso 1 1 calc R U . . .
O7 O 0.6279(4) 0.6577(3) 0.1816(3) 0.0250(13) Uani 1 1 d . . . . .
O8 O 0.7555(4) 0.9071(3) 0.3196(3) 0.0270(14) Uani 1 1 d . . . . .
O9 O 0.9473(4) 1.0745(3) 0.2812(3) 0.0254(13) Uani 1 1 d . . . . .
O10 O 0.6073(4) 0.7506(3) 0.3134(3) 0.0224(13) Uani 1 1 d . . . . .
O11 O 0.5917(4) 0.4753(3) 0.2117(3) 0.0300(14) Uani 1 1 d . . . . .
O12 O 0.6519(5) 0.2864(5) 0.2918(4) 0.054(2) Uani 1 1 d . . . . .
H12 H 0.696752 0.318673 0.310729 0.082 Uiso 1 1 calc R U . . .
O13 O 1.2430(4) 1.0917(3) 0.2455(3) 0.0282(14) Uani 1 1 d . . . . .
O14 O 1.3185(4) 1.2127(4) 0.2647(3) 0.0272(14) Uani 1 1 d . . . . .
O15 O 1.1614(4) 1.3911(4) 0.1781(3) 0.0283(14) Uani 1 1 d . . . . .
O16 O 1.0516(4) 1.3172(4) 0.2047(4) 0.0447(18) Uani 1 1 d . . . . .
O17 O 0.9626(4) 1.1497(5) 0.1770(4) 0.052(2) Uani 1 1 d . . . . .
H17 H 0.982668 1.161657 0.138352 0.062 Uiso 1 1 calc R U . . .
O18 O 0.7528(4) 0.6128(4) 0.2843(3) 0.0288(14) Uani 1 1 d . . . . .
O19 O 0.8059(4) 0.7314(3) 0.2767(3) 0.0293(14) Uani 1 1 d . . . . .
O20 O 0.6481(4) 0.8952(4) 0.1817(3) 0.0321(15) Uani 1 1 d . . . . .
O21 O 0.5355(4) 0.8121(4) 0.1893(3) 0.0411(17) Uani 1 1 d . . . . .
O22 O 0.4514(5) 0.5937(5) 0.1915(3) 0.0429(19) Uani 1 1 d . . . . .
O23 O 0.2622(5) 0.5382(4) 0.1895(4) 0.0493(19) Uani 1 1 d . . . . .
H23 H 0.235402 0.493035 0.178325 0.074 Uiso 1 1 calc R U . . .
O24 O 0.4297(5) 0.6790(5) 0.0983(4) 0.060(2) Uani 1 1 d . . . . .
H24A H 0.454865 0.719493 0.127044 0.090 Uiso 1 1 calc R U . . .
O25 O 0.8958(9) 0.4116(9) 0.4059(10) 0.231(7) Uani 1 1 d . U . . .
N1 N 1.2798(4) 1.2436(4) 0.1226(3) 0.0194(15) Uani 1 1 d . . . . .
N2 N 1.3506(4) 1.3702(4) 0.2190(3) 0.0214(16) Uani 1 1 d . . . . .
N3 N 1.3767(5) 1.4384(4) 0.2720(3) 0.0267(17) Uani 1 1 d . . . . .
H3 H 1.424008 1.470649 0.271527 0.032 Uiso 1 1 calc R U . . .
N4 N 1.1304(5) 1.1225(4) 0.3658(3) 0.0259(17) Uani 1 1 d . . . . .
N5 N 1.1108(5) 0.9787(4) 0.2817(3) 0.0266(17) Uani 1 1 d . . . . .
N6 N 1.1105(5) 0.9046(4) 0.2344(4) 0.0328(18) Uani 1 1 d . . . . .
N7 N 0.7541(4) 0.7280(4) 0.1247(3) 0.0215(16) Uani 1 1 d . . . . .
N8 N 0.8314(5) 0.8622(4) 0.2060(3) 0.0244(17) Uani 1 1 d . . . . .
N9 N 0.8612(4) 0.9336(4) 0.2512(3) 0.0217(16) Uani 1 1 d . . . . .
H9 H 0.905595 0.964073 0.243435 0.026 Uiso 1 1 calc R U . . .
N10 N 0.6273(5) 0.6643(4) 0.4007(3) 0.0277(17) Uani 1 1 d . . . . .
N11 N 0.6295(5) 0.5122(4) 0.3412(4) 0.0279(17) Uani 1 1 d . . . . .
N12 N 0.6381(5) 0.4348(4) 0.3072(4) 0.0341(19) Uani 1 1 d . . . . .
N13 N 0.3025(11) 0.8799(10) 0.3978(8) 0.131(6) Uani 1 1 d . . . . .
C1 C 1.2423(6) 1.1758(5) 0.0754(4) 0.0231(19) Uani 1 1 d . . . . .
C2 C 1.1636(6) 1.1340(5) 0.0949(4) 0.0220(19) Uani 1 1 d . . . . .
C3 C 1.1200(6) 1.0668(5) 0.0470(4) 0.028(2) Uani 1 1 d . . . . .
H3A H 1.068294 1.040262 0.058014 0.034 Uiso 1 1 calc R U . . .
C4 C 1.1520(7) 1.0368(6) -0.0194(4) 0.035(2) Uani 1 1 d . . . . .
H4 H 1.121751 0.990469 -0.050497 0.042 Uiso 1 1 calc R U . . .
C5 C 1.2271(6) 1.0755(5) -0.0379(4) 0.030(2) Uani 1 1 d . . . . .
H5 H 1.247140 1.055299 -0.081325 0.037 Uiso 1 1 calc R U . . .
C6 C 1.2740(6) 1.1460(5) 0.0089(4) 0.026(2) Uani 1 1 d . . . . .
C7 C 1.3515(6) 1.1905(6) -0.0039(4) 0.030(2) Uani 1 1 d . . . . .
H7 H 1.377086 1.172813 -0.045597 0.036 Uiso 1 1 calc R U . . .
C8 C 1.3898(6) 1.2595(6) 0.0441(4) 0.034(2) Uani 1 1 d . . . . .
H8 H 1.440089 1.289450 0.034909 0.041 Uiso 1 1 calc R U . . .
C9 C 1.3520(5) 1.2845(5) 0.1076(4) 0.024(2) Uani 1 1 d . . . . .
C10 C 1.3883(5) 1.3566(5) 0.1621(4) 0.024(2) Uani 1 1 d . . . . .
H10 H 1.436314 1.391182 0.155932 0.029 Uiso 1 1 calc R U . . .
C11 C 1.3235(6) 1.4520(5) 0.3254(4) 0.024(2) Uani 1 1 d . . . . .
C12 C 1.3404(6) 1.5280(5) 0.3782(4) 0.0224(19) Uani 1 1 d . . . . .
C13 C 1.2886(6) 1.5401(5) 0.4353(4) 0.026(2) Uani 1 1 d . . . . .
H13 H 1.248486 1.498318 0.439428 0.032 Uiso 1 1 calc R U . . .
C14 C 1.2959(6) 1.6124(6) 0.4852(4) 0.035(2) Uani 1 1 d . . . . .
H14 H 1.262598 1.619286 0.523505 0.042 Uiso 1 1 calc R U . . .
C15 C 1.3540(7) 1.6755(6) 0.4778(5) 0.039(2) Uani 1 1 d . . . . .
H15 H 1.358493 1.725062 0.510848 0.046 Uiso 1 1 calc R U . . .
C16 C 1.4039(6) 1.6652(6) 0.4227(5) 0.034(2) Uani 1 1 d . . . . .
H16 H 1.440695 1.708662 0.418382 0.040 Uiso 1 1 calc R U . . .
C17 C 1.4023(6) 1.5914(5) 0.3718(4) 0.0229(19) Uani 1 1 d . . . . .
C18 C 1.1318(6) 1.1977(6) 0.4062(4) 0.030(2) Uani 1 1 d . . . . .
C19 C 1.1267(6) 1.2572(5) 0.3710(4) 0.029(2) Uani 1 1 d . . . . .
C20 C 1.1203(6) 1.3343(6) 0.4095(4) 0.033(2) Uani 1 1 d . . . . .
H20 H 1.112725 1.373450 0.387204 0.040 Uiso 1 1 calc R U . . .
C21 C 1.1252(7) 1.3555(6) 0.4831(5) 0.044(3) Uani 1 1 d . . . . .
H21 H 1.123021 1.408292 0.508730 0.053 Uiso 1 1 calc R U . . .
C22 C 1.1331(8) 1.2974(7) 0.5158(5) 0.052(3) Uani 1 1 d . . . . .
H22 H 1.136056 1.311557 0.563897 0.062 Uiso 1 1 calc R U . . .
C23 C 1.1367(7) 1.2176(6) 0.4791(4) 0.037(2) Uani 1 1 d . . . . .
C24 C 1.1433(7) 1.1539(7) 0.5092(5) 0.046(3) Uani 1 1 d . . . . .
H24 H 1.149877 1.164132 0.557092 0.055 Uiso 1 1 calc R U . . .
C25 C 1.1400(7) 1.0777(7) 0.4674(5) 0.047(3) Uani 1 1 d . . . . .
H25 H 1.142316 1.035656 0.486866 0.056 Uiso 1 1 calc R U . . .
C26 C 1.1331(6) 1.0621(6) 0.3947(4) 0.033(2) Uani 1 1 d . . . . .
C27 C 1.1276(7) 0.9831(6) 0.3467(5) 0.040(3) Uani 1 1 d . . . . .
H27 H 1.135543 0.938104 0.361499 0.048 Uiso 1 1 calc R U . . .
C28 C 1.0901(6) 0.9099(5) 0.1707(4) 0.027(2) Uani 1 1 d . . . . .
C29 C 1.0932(6) 0.8360(5) 0.1134(5) 0.031(2) Uani 1 1 d . . . . .
C30 C 1.0803(6) 0.8392(6) 0.0445(5) 0.038(2) Uani 1 1 d . . . . .
H30 H 1.068274 0.887121 0.035897 0.046 Uiso 1 1 calc R U . . .
C31 C 1.0851(7) 0.7728(7) -0.0100(5) 0.047(3) Uani 1 1 d . . . . .
H31 H 1.075537 0.775054 -0.055464 0.056 Uiso 1 1 calc R U . . .
C32 C 1.1041(8) 0.7034(7) 0.0039(6) 0.059(3) Uani 1 1 d . . . . .
H32 H 1.109335 0.658693 -0.032918 0.071 Uiso 1 1 calc R U . . .
C33 C 1.1158(8) 0.6970(7) 0.0692(7) 0.065(4) Uani 1 1 d . . . . .
H33 H 1.125650 0.648030 0.076535 0.079 Uiso 1 1 calc R U . . .
C34 C 1.1128(8) 0.7642(6) 0.1253(5) 0.047(3) Uani 1 1 d . . . . .
C35 C 0.7151(5) 0.6554(5) 0.0871(4) 0.0215(19) Uani 1 1 d . . . . .
C36 C 0.6449(5) 0.6176(5) 0.1180(4) 0.0209(19) Uani 1 1 d . . . . .
C37 C 0.6023(6) 0.5444(5) 0.0796(4) 0.031(2) Uani 1 1 d . . . . .
H37 H 0.557271 0.518538 0.098032 0.038 Uiso 1 1 calc R U . . .
C38 C 0.6257(6) 0.5080(5) 0.0128(4) 0.033(2) Uani 1 1 d . . . . .
H38 H 0.593471 0.459403 -0.012405 0.040 Uiso 1 1 calc R U . . .
C39 C 0.6933(6) 0.5403(6) -0.0168(4) 0.033(2) Uani 1 1 d . . . . .
H39 H 0.708624 0.513340 -0.060458 0.040 Uiso 1 1 calc R U . . .
C40 C 0.7396(6) 0.6151(5) 0.0200(4) 0.025(2) Uani 1 1 d . . . . .
C41 C 0.8129(6) 0.6558(6) -0.0032(5) 0.033(2) Uani 1 1 d . . . . .
H41 H 0.831251 0.633599 -0.046925 0.040 Uiso 1 1 calc R U . . .
C42 C 0.8565(6) 0.7261(5) 0.0374(4) 0.029(2) Uani 1 1 d . . . . .
H42 H 0.907522 0.750200 0.023267 0.035 Uiso 1 1 calc R U . . .
C43 C 0.8238(6) 0.7618(5) 0.1007(4) 0.023(2) Uani 1 1 d . . . . .
C44 C 0.8636(5) 0.8384(5) 0.1470(4) 0.0233(19) Uani 1 1 d . . . . .
H44 H 0.910396 0.868908 0.134473 0.028 Uiso 1 1 calc R U . . .
C45 C 0.8179(6) 0.9551(5) 0.3093(4) 0.0233(19) Uani 1 1 d . . . . .
C46 C 0.8419(5) 1.0353(5) 0.3534(4) 0.0223(19) Uani 1 1 d . . . . .
C47 C 0.7984(6) 1.0597(6) 0.4160(4) 0.031(2) Uani 1 1 d . . . . .
H47 H 0.758987 1.022439 0.427451 0.038 Uiso 1 1 calc R U . . .
C48 C 0.8121(6) 1.1344(6) 0.4587(4) 0.037(2) Uani 1 1 d . . . . .
H48 H 0.784995 1.147630 0.500064 0.045 Uiso 1 1 calc R U . . .
C49 C 0.8672(6) 1.1916(6) 0.4406(5) 0.042(3) Uani 1 1 d . . . . .
H49 H 0.875819 1.243847 0.469177 0.051 Uiso 1 1 calc R U . . .
C50 C 0.9090(6) 1.1710(5) 0.3805(5) 0.034(2) Uani 1 1 d . . . . .
H50 H 0.943828 1.210572 0.368423 0.041 Uiso 1 1 calc R U . . .
C51 C 0.9014(5) 1.0935(5) 0.3371(4) 0.024(2) Uani 1 1 d . . . . .
C52 C 0.6200(6) 0.7429(6) 0.4283(4) 0.028(2) Uani 1 1 d . . . . .
C53 C 0.6102(5) 0.7894(5) 0.3808(4) 0.0230(19) Uani 1 1 d . . . . .
C54 C 0.6004(6) 0.8682(6) 0.4070(5) 0.035(2) Uani 1 1 d . . . . .
H54 H 0.591951 0.898943 0.376674 0.042 Uiso 1 1 calc R U . . .
C55 C 0.6027(7) 0.9051(6) 0.4789(5) 0.040(2) Uani 1 1 d . . . . .
H55 H 0.597004 0.959537 0.494736 0.047 Uiso 1 1 calc R U . . .
C56 C 0.6131(6) 0.8623(6) 0.5257(5) 0.036(2) Uani 1 1 d . . . . .
H56 H 0.614327 0.887249 0.572891 0.044 Uiso 1 1 calc R U . . .
C57 C 0.6219(7) 0.7804(6) 0.5013(5) 0.038(2) Uani 1 1 d . . . . .
C58 C 0.6315(7) 0.7305(6) 0.5435(5) 0.040(3) Uani 1 1 d . . . . .
H58 H 0.633228 0.751578 0.591265 0.048 Uiso 1 1 calc R U . . .
C59 C 0.6383(7) 0.6512(6) 0.5157(5) 0.042(3) Uani 1 1 d . . . . .
H59 H 0.644021 0.618377 0.544467 0.050 Uiso 1 1 calc R U . . .
C60 C 0.6366(7) 0.6188(6) 0.4434(4) 0.036(2) Uani 1 1 d . . . . .
C61 C 0.6432(6) 0.5338(5) 0.4088(4) 0.034(2) Uani 1 1 d . . . . .
H61 H 0.656255 0.497749 0.433557 0.041 Uiso 1 1 calc R U . . .
C62 C 0.6183(6) 0.4225(5) 0.2391(5) 0.031(2) Uani 1 1 d . . . . .
C63 C 0.6289(6) 0.3407(5) 0.1947(5) 0.032(2) Uani 1 1 d . . . . .
C64 C 0.6239(7) 0.3261(6) 0.1241(5) 0.044(3) Uani 1 1 d . . . . .
H64 H 0.615189 0.368069 0.105342 0.053 Uiso 1 1 calc R U . . .
C65 C 0.6314(7) 0.2511(6) 0.0799(6) 0.048(3) Uani 1 1 d . . . . .
H65 H 0.629169 0.243132 0.032361 0.058 Uiso 1 1 calc R U . . .
C66 C 0.6423(7) 0.1890(7) 0.1074(6) 0.055(3) Uani 1 1 d . . . . .
H66 H 0.645177 0.137910 0.078170 0.066 Uiso 1 1 calc R U . . .
C67 C 0.6490(7) 0.2013(6) 0.1776(6) 0.049(3) Uani 1 1 d . . . . .
H67 H 0.657369 0.158545 0.195457 0.059 Uiso 1 1 calc R U . . .
C68 C 0.6435(6) 0.2774(6) 0.2230(6) 0.039(2) Uani 1 1 d . . . . .
C69 C 1.3154(6) 1.1401(6) 0.2637(4) 0.026(2) Uani 1 1 d . . . . .
C70 C 1.4035(5) 1.1079(5) 0.2851(4) 0.024(2) Uani 1 1 d . . . . .
C71 C 1.3972(6) 1.0313(5) 0.2914(4) 0.030(2) Uani 1 1 d . . . . .
H71 H 1.340876 0.999158 0.279776 0.036 Uiso 1 1 calc R U . . .
C72 C 1.4788(6) 1.0035(6) 0.3159(5) 0.039(2) Uani 1 1 d . . . . .
H72 H 1.475995 0.952644 0.321463 0.047 Uiso 1 1 calc R U . . .
C73 C 1.5629(7) 1.0503(6) 0.3318(5) 0.043(3) Uani 1 1 d . . . . .
H73 H 1.616657 1.030581 0.346683 0.052 Uiso 1 1 calc R U . . .
C74 C 1.5664(6) 1.1273(6) 0.3254(5) 0.044(3) Uani 1 1 d . . . . .
H74 H 1.622722 1.159478 0.336294 0.053 Uiso 1 1 calc R U . . .
C75 C 1.4872(6) 1.1559(6) 0.3031(4) 0.033(2) Uani 1 1 d . . . . .
H75 H 1.489605 1.207888 0.300105 0.040 Uiso 1 1 calc R U . . .
C76 C 1.0761(6) 1.3756(5) 0.1826(4) 0.027(2) Uani 1 1 d . . . . .
C77 C 1.0033(6) 1.4237(5) 0.1625(4) 0.024(2) Uani 1 1 d . . . . .
C78 C 1.0262(7) 1.4790(6) 0.1277(5) 0.039(2) Uani 1 1 d . . . . .
H78 H 1.086561 1.485724 0.116116 0.047 Uiso 1 1 calc R U . . .
C79 C 0.9575(8) 1.5239(7) 0.1105(6) 0.058(3) Uani 1 1 d . . . . .
H79 H 0.972363 1.562055 0.088275 0.069 Uiso 1 1 calc R U . . .
C80 C 0.8679(7) 1.5124(7) 0.1259(5) 0.051(3) Uani 1 1 d . . . . .
H80 H 0.821703 1.541375 0.112801 0.061 Uiso 1 1 calc R U . . .
C81 C 0.8463(6) 1.4574(6) 0.1612(5) 0.044(3) Uani 1 1 d . . . . .
H81 H 0.786293 1.451528 0.173714 0.053 Uiso 1 1 calc R U . . .
C82 C 0.9133(6) 1.4117(6) 0.1777(5) 0.040(2) Uani 1 1 d . . . . .
H82 H 0.897932 1.372880 0.199131 0.048 Uiso 1 1 calc R U . . .
C83 C 0.8687(6) 1.1656(7) 0.1864(6) 0.055(3) Uani 1 1 d . . . . .
H83A H 0.835718 1.120887 0.195303 0.083 Uiso 1 1 calc R U . . .
H83B H 0.839132 1.174579 0.145249 0.083 Uiso 1 1 calc R U . . .
H83C H 0.867817 1.212255 0.224946 0.083 Uiso 1 1 calc R U . . .
C84 C 0.8178(6) 0.6662(5) 0.2888(4) 0.025(2) Uani 1 1 d . . . . .
C85 C 0.9147(6) 0.6537(6) 0.3120(4) 0.031(2) Uani 1 1 d . . . . .
C86 C 0.9344(7) 0.5873(7) 0.3305(5) 0.045(3) Uani 1 1 d . . . . .
H86 H 0.887323 0.546071 0.323430 0.054 Uiso 1 1 calc R U . . .
C87 C 1.0218(8) 0.5791(8) 0.3595(6) 0.060(3) Uani 1 1 d . . . . .
H87 H 1.033842 0.532734 0.371020 0.072 Uiso 1 1 calc R U . . .
C88 C 1.0916(8) 0.6412(10) 0.3711(6) 0.076(4) Uani 1 1 d . . . . .
H88 H 1.150241 0.637864 0.392436 0.091 Uiso 1 1 calc R U . . .
C89 C 1.0733(8) 0.7089(9) 0.3505(6) 0.070(4) Uani 1 1 d . . . . .
H89 H 1.120165 0.749904 0.355800 0.084 Uiso 1 1 calc R U . . .
C90 C 0.9843(7) 0.7133(7) 0.3222(5) 0.054(3) Uani 1 1 d . . . . .
H90 H 0.971250 0.758850 0.309651 0.065 Uiso 1 1 calc R U . . .
C91 C 0.5632(6) 0.8736(5) 0.1723(4) 0.026(2) Uani 1 1 d . . . . .
C92 C 0.4934(6) 0.9162(5) 0.1416(4) 0.027(2) Uani 1 1 d . . . . .
C93 C 0.5238(7) 0.9821(6) 0.1227(5) 0.045(3) Uani 1 1 d . . . . .
H93 H 0.586918 1.000179 0.129665 0.054 Uiso 1 1 calc R U . . .
C94 C 0.4588(8) 1.0215(7) 0.0931(6) 0.066(4) Uani 1 1 d . . . . .
H94 H 0.478591 1.065877 0.079668 0.079 Uiso 1 1 calc R U . . .
C95 C 0.3639(7) 0.9945(7) 0.0834(5) 0.052(3) Uani 1 1 d . . . . .
H95 H 0.321131 1.020241 0.062360 0.062 Uiso 1 1 calc R U . . .
C96 C 0.3341(7) 0.9324(7) 0.1039(5) 0.052(3) Uani 1 1 d . . . . .
H96 H 0.270576 0.916026 0.098941 0.063 Uiso 1 1 calc R U . . .
C97 C 0.3984(6) 0.8921(6) 0.1328(5) 0.042(3) Uani 1 1 d . . . . .
H97 H 0.377473 0.848243 0.146558 0.051 Uiso 1 1 calc R U . . .
C98 C 0.2137(7) 0.5897(7) 0.2387(6) 0.060(3) Uani 1 1 d . . . . .
H98A H 0.257265 0.620746 0.276827 0.090 Uiso 1 1 calc R U . . .
H98B H 0.168742 0.558757 0.255247 0.090 Uiso 1 1 calc R U . . .
H98C H 0.182079 0.624719 0.217458 0.090 Uiso 1 1 calc R U . . .
C99 C 0.3292(8) 0.6845(8) 0.0891(6) 0.075(4) Uani 1 1 d . . . . .
H99A H 0.301897 0.677794 0.129002 0.112 Uiso 1 1 calc R U . . .
H99B H 0.301676 0.643555 0.048577 0.112 Uiso 1 1 calc R U . . .
H99C H 0.317778 0.735861 0.083832 0.112 Uiso 1 1 calc R U . . .
C100 C 0.3638(9) 0.7811(8) 0.2915(6) 0.080(4) Uani 1 1 d . . . . .
H10A H 0.410202 0.808273 0.272799 0.121 Uiso 1 1 calc R U . . .
H10B H 0.312318 0.758595 0.256514 0.121 Uiso 1 1 calc R U . . .
H10C H 0.390668 0.739370 0.306433 0.121 Uiso 1 1 calc R U . . .
C101 C 0.3298(9) 0.8389(10) 0.3516(8) 0.078(5) Uani 1 1 d . . . . .
H22A H 0.390(6) 0.571(5) 0.194(4) 0.04(3) Uiso 1 1 d . . . . .
H22B H 0.443(7) 0.634(7) 0.171(5) 0.07(4) Uiso 1 1 d . . . . .


_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 Dy2 3.7304(6) . ?
Dy1 O1 2.333(6) . ?
Dy1 O2 2.351(5) . ?
Dy1 O4 2.304(5) . ?
Dy1 O14 2.284(5) . ?
Dy1 O15 2.481(5) . ?
Dy1 O16 2.414(6) . ?
Dy1 N1 2.456(6) . ?
Dy1 N2 2.511(7) . ?
Dy2 O1 2.446(5) . ?
Dy2 O4 2.362(6) . ?
Dy2 O5 2.325(6) . ?
Dy2 O9 2.262(5) . ?
Dy2 O13 2.287(6) . ?
Dy2 O17 2.467(6) . ?
Dy2 N4 2.471(7) . ?
Dy2 N5 2.487(7) . ?
Dy3 Dy4 3.7493(6) . ?
Dy3 O7 2.344(6) . ?
Dy3 O8 2.364(6) . ?
Dy3 O10 2.314(5) . ?
Dy3 O19 2.263(6) . ?
Dy3 O20 2.447(6) . ?
Dy3 O21 2.420(6) . ?
Dy3 N7 2.458(6) . ?
Dy3 N8 2.518(7) . ?
Dy4 O3 2.300(5) 1_445 ?
Dy4 O7 2.375(5) . ?
Dy4 O10 2.384(6) . ?
Dy4 O11 2.330(6) . ?
Dy4 O18 2.344(6) . ?
Dy4 O22 2.443(7) . ?
Dy4 N10 2.458(7) . ?
Dy4 N11 2.507(7) . ?
O1 C2 1.337(9) . ?
O2 C11 1.264(9) . ?
O3 C17 1.318(9) . ?
O4 C19 1.359(9) . ?
O5 C28 1.299(10) . ?
O6 H6 0.8200 . ?
O6 C34 1.349(11) . ?
O7 C36 1.334(9) . ?
O8 C45 1.262(9) . ?
O9 C51 1.331(9) . ?
O10 C53 1.337(9) . ?
O11 C62 1.272(10) . ?
O12 H12 0.8200 . ?
O12 C68 1.349(11) . ?
O13 C69 1.261(10) . ?
O14 C69 1.268(10) . ?
O15 C76 1.260(9) . ?
O16 C76 1.271(10) . ?
O17 H17 0.9300 . ?
O17 C83 1.418(10) . ?
O18 C84 1.260(10) . ?
O19 C84 1.256(10) . ?
O20 C91 1.241(10) . ?
O21 C91 1.273(10) . ?
O22 H22A 0.96(9) . ?
O22 H22B 0.92(11) . ?
O23 H23 0.8200 . ?
O23 C98 1.412(11) . ?
O24 H24A 0.8200 . ?
O24 C99 1.460(12) . ?
N1 C1 1.344(10) . ?
N1 C9 1.330(10) . ?
N2 N3 1.369(9) . ?
N2 C10 1.284(9) . ?
N3 H3 0.8600 . ?
N3 C11 1.354(9) . ?
N4 C18 1.340(11) . ?
N4 C26 1.348(10) . ?
N5 N6 1.381(10) . ?
N5 C27 1.296(10) . ?
N6 C28 1.328(10) . ?
N7 C35 1.344(10) . ?
N7 C43 1.330(10) . ?
N8 N9 1.344(9) . ?
N8 C44 1.288(9) . ?
N9 H9 0.8600 . ?
N9 C45 1.351(9) . ?
N10 C52 1.350(11) . ?
N10 C60 1.336(10) . ?
N11 N12 1.357(10) . ?
N11 C61 1.306(10) . ?
N12 C62 1.336(11) . ?
N13 C101 1.126(18) . ?
C1 C2 1.453(11) . ?
C1 C6 1.427(11) . ?
C2 C3 1.370(11) . ?
C3 H3A 0.9300 . ?
C3 C4 1.427(11) . ?
C4 H4 0.9300 . ?
C4 C5 1.375(12) . ?
C5 H5 0.9300 . ?
C5 C6 1.415(12) . ?
C6 C7 1.406(12) . ?
C7 H7 0.9300 . ?
C7 C8 1.369(13) . ?
C8 H8 0.9300 . ?
C8 C9 1.406(11) . ?
C9 C10 1.456(11) . ?
C10 H10 0.9300 . ?
C11 C12 1.446(11) . ?
C12 C13 1.405(11) . ?
C12 C17 1.421(11) . ?
C13 H13 0.9300 . ?
C13 C14 1.372(12) . ?
C14 H14 0.9300 . ?
C14 C15 1.394(13) . ?
C15 H15 0.9300 . ?
C15 C16 1.354(11) . ?
C16 H16 0.9300 . ?
C16 C17 1.407(12) . ?
C18 C19 1.422(12) . ?
C18 C23 1.412(11) . ?
C19 C20 1.372(12) . ?
C20 H20 0.9300 . ?
C20 C21 1.424(12) . ?
C21 H21 0.9300 . ?
C21 C22 1.368(14) . ?
C22 H22 0.9300 . ?
C22 C23 1.395(14) . ?
C23 C24 1.420(13) . ?
C24 H24 0.9300 . ?
C24 C25 1.361(14) . ?
C25 H25 0.9300 . ?
C25 C26 1.412(12) . ?
C26 C27 1.444(13) . ?
C27 H27 0.9300 . ?
C28 C29 1.483(12) . ?
C29 C30 1.407(12) . ?
C29 C34 1.390(13) . ?
C30 H30 0.9300 . ?
C30 C31 1.370(13) . ?
C31 H31 0.9300 . ?
C31 C32 1.366(14) . ?
C32 H32 0.9300 . ?
C32 C33 1.354(15) . ?
C33 H33 0.9300 . ?
C33 C34 1.393(14) . ?
C35 C36 1.453(11) . ?
C35 C40 1.429(10) . ?
C36 C37 1.373(11) . ?
C37 H37 0.9300 . ?
C37 C38 1.402(11) . ?
C38 H38 0.9300 . ?
C38 C39 1.361(12) . ?
C39 H39 0.9300 . ?
C39 C40 1.404(12) . ?
C40 C41 1.421(11) . ?
C41 H41 0.9300 . ?
C41 C42 1.352(12) . ?
C42 H42 0.9300 . ?
C42 C43 1.396(11) . ?
C43 C44 1.452(12) . ?
C44 H44 0.9300 . ?
C45 C46 1.439(11) . ?
C46 C47 1.430(11) . ?
C46 C51 1.420(11) . ?
C47 H47 0.9300 . ?
C47 C48 1.342(12) . ?
C48 H48 0.9300 . ?
C48 C49 1.389(13) . ?
C49 H49 0.9300 . ?
C49 C50 1.370(12) . ?
C50 H50 0.9300 . ?
C50 C51 1.388(12) . ?
C52 C53 1.428(11) . ?
C52 C57 1.435(12) . ?
C53 C54 1.357(12) . ?
C54 H54 0.9300 . ?
C54 C55 1.412(12) . ?
C55 H55 0.9300 . ?
C55 C56 1.370(12) . ?
C56 H56 0.9300 . ?
C56 C57 1.401(13) . ?
C57 C58 1.390(12) . ?
C58 H58 0.9300 . ?
C58 C59 1.359(13) . ?
C59 H59 0.9300 . ?
C59 C60 1.411(12) . ?
C60 C61 1.471(12) . ?
C61 H61 0.9300 . ?
C62 C63 1.488(12) . ?
C63 C64 1.372(12) . ?
C63 C68 1.407(12) . ?
C64 H64 0.9300 . ?
C64 C65 1.384(13) . ?
C65 H65 0.9300 . ?
C65 C66 1.370(14) . ?
C66 H66 0.9300 . ?
C66 C67 1.369(14) . ?
C67 H67 0.9300 . ?
C67 C68 1.404(13) . ?
C69 C70 1.503(11) . ?
C70 C71 1.384(12) . ?
C70 C75 1.385(11) . ?
C71 H71 0.9300 . ?
C71 C72 1.407(11) . ?
C72 H72 0.9300 . ?
C72 C73 1.378(13) . ?
C73 H73 0.9300 . ?
C73 C74 1.393(13) . ?
C74 H74 0.9300 . ?
C74 C75 1.369(12) . ?
C75 H75 0.9300 . ?
C76 C77 1.488(11) . ?
C77 C78 1.390(12) . ?
C77 C82 1.375(12) . ?
C78 H78 0.9300 . ?
C78 C79 1.386(13) . ?
C79 H79 0.9300 . ?
C79 C80 1.371(14) . ?
C80 H80 0.9300 . ?
C80 C81 1.387(14) . ?
C81 H81 0.9300 . ?
C81 C82 1.374(12) . ?
C82 H82 0.9300 . ?
C83 H83A 0.9600 . ?
C83 H83B 0.9600 . ?
C83 H83C 0.9600 . ?
C84 C85 1.486(11) . ?
C85 C86 1.361(12) . ?
C85 C90 1.360(13) . ?
C86 H86 0.9300 . ?
C86 C87 1.377(13) . ?
C87 H87 0.9300 . ?
C87 C88 1.389(17) . ?
C88 H88 0.9300 . ?
C88 C89 1.398(17) . ?
C89 H89 0.9300 . ?
C89 C90 1.376(14) . ?
C90 H90 0.9300 . ?
C91 C92 1.487(11) . ?
C92 C93 1.374(12) . ?
C92 C97 1.388(12) . ?
C93 H93 0.9300 . ?
C93 C94 1.393(12) . ?
C94 H94 0.9300 . ?
C94 C95 1.397(14) . ?
C95 H95 0.9300 . ?
C95 C96 1.331(14) . ?
C96 H96 0.9300 . ?
C96 C97 1.389(12) . ?
C97 H97 0.9300 . ?
C98 H98A 0.9600 . ?
C98 H98B 0.9600 . ?
C98 H98C 0.9600 . ?
C99 H99A 0.9600 . ?
C99 H99B 0.9600 . ?
C99 H99C 0.9600 . ?
C100 H10A 0.9600 . ?
C100 H10B 0.9600 . ?
C100 H10C 0.9600 . ?
C100 C101 1.490(18) . ?

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
O1 Dy1 Dy2 39.78(12) . . ?
O1 Dy1 O2 165.43(17) . . ?
O1 Dy1 O15 107.02(19) . . ?
O1 Dy1 O16 77.7(2) . . ?
O1 Dy1 N1 67.1(2) . . ?
O1 Dy1 N2 129.6(2) . . ?
O2 Dy1 Dy2 125.76(12) . . ?
O2 Dy1 O15 82.60(19) . . ?
O2 Dy1 O16 100.7(2) . . ?
O2 Dy1 N1 126.4(2) . . ?
O2 Dy1 N2 63.6(2) . . ?
O4 Dy1 Dy2 37.45(14) . . ?
O4 Dy1 O1 75.21(18) . . ?
O4 Dy1 O2 90.33(18) . . ?
O4 Dy1 O15 125.15(19) . . ?
O4 Dy1 O16 75.71(19) . . ?
O4 Dy1 N1 139.8(2) . . ?
O4 Dy1 N2 149.4(2) . . ?
O14 Dy1 Dy2 72.42(14) . . ?
O14 Dy1 O1 85.0(2) . . ?
O14 Dy1 O2 91.4(2) . . ?
O14 Dy1 O4 82.28(19) . . ?
O14 Dy1 O15 151.73(19) . . ?
O14 Dy1 O16 154.8(2) . . ?
O14 Dy1 N1 81.1(2) . . ?
O14 Dy1 N2 82.7(2) . . ?
O15 Dy1 Dy2 132.66(13) . . ?
O15 Dy1 N2 69.91(19) . . ?
O16 Dy1 Dy2 82.60(15) . . ?
O16 Dy1 O15 52.88(19) . . ?
O16 Dy1 N1 108.1(2) . . ?
O16 Dy1 N2 122.5(2) . . ?
N1 Dy1 Dy2 102.43(16) . . ?
N1 Dy1 O15 80.4(2) . . ?
N1 Dy1 N2 62.8(2) . . ?
N2 Dy1 Dy2 153.06(15) . . ?
O1 Dy2 Dy1 37.61(13) . . ?
O1 Dy2 O17 64.31(18) . . ?
O1 Dy2 N4 130.8(2) . . ?
O1 Dy2 N5 140.9(2) . . ?
O4 Dy2 Dy1 36.39(12) . . ?
O4 Dy2 O1 72.09(18) . . ?
O4 Dy2 O17 82.5(2) . . ?
O4 Dy2 N4 66.4(2) . . ?
O4 Dy2 N5 128.8(2) . . ?
O5 Dy2 Dy1 128.00(14) . . ?
O5 Dy2 O1 92.14(18) . . ?
O5 Dy2 O4 164.18(18) . . ?
O5 Dy2 O17 91.8(2) . . ?
O5 Dy2 N4 126.6(2) . . ?
O5 Dy2 N5 63.5(2) . . ?
O9 Dy2 Dy1 130.58(14) . . ?
O9 Dy2 O1 136.67(18) . . ?
O9 Dy2 O4 99.87(19) . . ?
O9 Dy2 O5 92.4(2) . . ?
O9 Dy2 O13 149.63(19) . . ?
O9 Dy2 O17 72.49(19) . . ?
O9 Dy2 N4 77.1(2) . . ?
O9 Dy2 N5 77.7(2) . . ?
O13 Dy2 Dy1 68.09(14) . . ?
O13 Dy2 O1 73.48(18) . . ?
O13 Dy2 O4 85.1(2) . . ?
O13 Dy2 O5 89.3(2) . . ?
O13 Dy2 O17 137.79(19) . . ?
O13 Dy2 N4 77.6(2) . . ?
O13 Dy2 N5 76.0(2) . . ?
O17 Dy2 Dy1 78.42(16) . . ?
O17 Dy2 N4 131.5(2) . . ?
O17 Dy2 N5 140.3(2) . . ?
N4 Dy2 Dy1 94.58(16) . . ?
N4 Dy2 N5 63.2(2) . . ?
N5 Dy2 Dy1 141.26(16) . . ?
O7 Dy3 Dy4 37.70(12) . . ?
O7 Dy3 O8 160.21(18) . . ?
O7 Dy3 O20 120.48(19) . . ?
O7 Dy3 O21 80.2(2) . . ?
O7 Dy3 N7 67.0(2) . . ?
O7 Dy3 N8 128.0(2) . . ?
O8 Dy3 Dy4 123.12(12) . . ?
O8 Dy3 O20 77.7(2) . . ?
O8 Dy3 O21 109.1(2) . . ?
O8 Dy3 N7 125.8(2) . . ?
O8 Dy3 N8 63.6(2) . . ?
O10 Dy3 Dy4 37.70(14) . . ?
O10 Dy3 O7 72.62(19) . . ?
O10 Dy3 O8 90.89(18) . . ?
O10 Dy3 O20 124.65(18) . . ?
O10 Dy3 O21 82.62(19) . . ?
O10 Dy3 N7 138.1(2) . . ?
O10 Dy3 N8 149.9(2) . . ?
O19 Dy3 Dy4 70.30(14) . . ?
O19 Dy3 O7 82.7(2) . . ?
O19 Dy3 O8 84.5(2) . . ?
O19 Dy3 O10 83.10(19) . . ?
O19 Dy3 O20 146.7(2) . . ?
O19 Dy3 O21 160.4(2) . . ?
O19 Dy3 N7 81.5(2) . . ?
O19 Dy3 N8 79.0(2) . . ?
O20 Dy3 Dy4 142.75(14) . . ?
O20 Dy3 N7 86.4(2) . . ?
O20 Dy3 N8 68.0(2) . . ?
O21 Dy3 Dy4 90.20(15) . . ?
O21 Dy3 O20 52.6(2) . . ?
O21 Dy3 N7 100.5(2) . . ?
O21 Dy3 N8 119.5(2) . . ?
N7 Dy3 Dy4 100.45(16) . . ?
N7 Dy3 N8 62.4(2) . . ?
N8 Dy3 Dy4 146.99(15) . . ?
O3 Dy4 Dy3 131.38(15) 1_445 . ?
O3 Dy4 O7 135.04(19) 1_445 . ?
O3 Dy4 O10 100.32(19) 1_445 . ?
O3 Dy4 O11 93.1(2) 1_445 . ?
O3 Dy4 O18 147.79(19) 1_445 . ?
O3 Dy4 O22 67.7(2) 1_445 . ?
O3 Dy4 N10 75.6(2) 1_445 . ?
O3 Dy4 N11 76.0(2) 1_445 . ?
O7 Dy4 Dy3 37.12(13) . . ?
O7 Dy4 O10 70.86(18) . . ?
O7 Dy4 O22 69.9(2) . . ?
O7 Dy4 N10 131.3(2) . . ?
O7 Dy4 N11 144.4(2) . . ?
O10 Dy4 Dy3 36.42(12) . . ?
O10 Dy4 O22 97.3(2) . . ?
O10 Dy4 N10 66.1(2) . . ?
O10 Dy4 N11 128.5(2) . . ?
O11 Dy4 Dy3 127.88(14) . . ?
O11 Dy4 O7 93.86(19) . . ?
O11 Dy4 O10 164.28(18) . . ?
O11 Dy4 O18 85.4(2) . . ?
O11 Dy4 O22 80.3(2) . . ?
O11 Dy4 N10 125.9(2) . . ?
O11 Dy4 N11 62.6(2) . . ?
O18 Dy4 Dy3 70.17(14) . . ?
O18 Dy4 O7 77.08(18) . . ?
O18 Dy4 O10 87.43(19) . . ?
O18 Dy4 O22 142.8(2) . . ?
O18 Dy4 N10 79.3(2) . . ?
O18 Dy4 N11 74.8(2) . . ?
O22 Dy4 Dy3 92.14(18) . . ?
O22 Dy4 N10 136.2(2) . . ?
O22 Dy4 N11 125.8(3) . . ?
N10 Dy4 Dy3 94.71(16) . . ?
N10 Dy4 N11 63.3(2) . . ?
N11 Dy4 Dy3 141.61(16) . . ?
Dy1 O1 Dy2 102.61(19) . . ?
C2 O1 Dy1 121.9(5) . . ?
C2 O1 Dy2 129.8(5) . . ?
C11 O2 Dy1 124.4(5) . . ?
C17 O3 Dy4 151.6(5) . 1_665 ?
Dy1 O4 Dy2 106.2(2) . . ?
C19 O4 Dy1 127.4(5) . . ?
C19 O4 Dy2 119.1(5) . . ?
C28 O5 Dy2 121.4(5) . . ?
C34 O6 H6 109.5 . . ?
Dy3 O7 Dy4 105.2(2) . . ?
C36 O7 Dy3 121.6(5) . . ?
C36 O7 Dy4 129.3(5) . . ?
C45 O8 Dy3 123.2(5) . . ?
C51 O9 Dy2 143.6(5) . . ?
Dy3 O10 Dy4 105.9(2) . . ?
C53 O10 Dy3 126.2(5) . . ?
C53 O10 Dy4 120.4(5) . . ?
C62 O11 Dy4 122.8(6) . . ?
C68 O12 H12 109.5 . . ?
C69 O13 Dy2 137.5(6) . . ?
C69 O14 Dy1 132.1(5) . . ?
C76 O15 Dy1 92.6(5) . . ?
C76 O16 Dy1 95.4(5) . . ?
Dy2 O17 H17 112.9 . . ?
C83 O17 Dy2 134.3(5) . . ?
C83 O17 H17 112.9 . . ?
C84 O18 Dy4 134.3(5) . . ?
C84 O19 Dy3 138.4(6) . . ?
C91 O20 Dy3 94.4(5) . . ?
C91 O21 Dy3 94.8(5) . . ?
Dy4 O22 H22A 128(5) . . ?
Dy4 O22 H22B 119(7) . . ?
H22A O22 H22B 105(8) . . ?
C98 O23 H23 109.5 . . ?
C99 O24 H24A 109.5 . . ?
C1 N1 Dy1 117.9(5) . . ?
C9 N1 Dy1 123.5(5) . . ?
C9 N1 C1 118.6(7) . . ?
N3 N2 Dy1 116.2(5) . . ?
C10 N2 Dy1 122.0(5) . . ?
C10 N2 N3 121.1(7) . . ?
N2 N3 H3 122.0 . . ?
C11 N3 N2 115.9(7) . . ?
C11 N3 H3 122.0 . . ?
C18 N4 Dy2 117.2(5) . . ?
C18 N4 C26 119.9(7) . . ?
C26 N4 Dy2 121.2(6) . . ?
N6 N5 Dy2 119.9(5) . . ?
C27 N5 Dy2 123.0(6) . . ?
C27 N5 N6 117.1(8) . . ?
C28 N6 N5 109.6(7) . . ?
C35 N7 Dy3 117.3(5) . . ?
C43 N7 Dy3 124.3(6) . . ?
C43 N7 C35 118.4(7) . . ?
N9 N8 Dy3 115.9(5) . . ?
C44 N8 Dy3 121.6(5) . . ?
C44 N8 N9 121.5(7) . . ?
N8 N9 H9 121.7 . . ?
N8 N9 C45 116.6(6) . . ?
C45 N9 H9 121.7 . . ?
C52 N10 Dy4 117.3(5) . . ?
C60 N10 Dy4 122.8(6) . . ?
C60 N10 C52 118.6(7) . . ?
N12 N11 Dy4 120.2(5) . . ?
C61 N11 Dy4 122.1(6) . . ?
C61 N11 N12 117.7(7) . . ?
C62 N12 N11 109.7(7) . . ?
N1 C1 C2 116.0(7) . . ?
N1 C1 C6 123.6(8) . . ?
C6 C1 C2 120.4(8) . . ?
O1 C2 C1 116.9(7) . . ?
O1 C2 C3 125.1(7) . . ?
C3 C2 C1 118.0(8) . . ?
C2 C3 H3A 119.2 . . ?
C2 C3 C4 121.5(8) . . ?
C4 C3 H3A 119.2 . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.7(8) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 119.8 . . ?
C4 C5 C6 120.4(8) . . ?
C6 C5 H5 119.8 . . ?
C5 C6 C1 118.9(8) . . ?
C7 C6 C1 115.5(8) . . ?
C7 C6 C5 125.6(8) . . ?
C6 C7 H7 119.6 . . ?
C8 C7 C6 120.9(8) . . ?
C8 C7 H7 119.6 . . ?
C7 C8 H8 120.5 . . ?
C7 C8 C9 119.0(8) . . ?
C9 C8 H8 120.5 . . ?
N1 C9 C8 122.3(8) . . ?
N1 C9 C10 114.7(7) . . ?
C8 C9 C10 123.0(8) . . ?
N2 C10 C9 116.6(7) . . ?
N2 C10 H10 121.7 . . ?
C9 C10 H10 121.7 . . ?
O2 C11 N3 118.6(8) . . ?
O2 C11 C12 123.5(7) . . ?
N3 C11 C12 118.0(8) . . ?
C13 C12 C11 117.7(7) . . ?
C13 C12 C17 119.7(8) . . ?
C17 C12 C11 122.5(7) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 C12 121.2(8) . . ?
C14 C13 H13 119.4 . . ?
C13 C14 H14 120.4 . . ?
C13 C14 C15 119.2(8) . . ?
C15 C14 H14 120.4 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.4(9) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 118.6 . . ?
C15 C16 C17 122.7(9) . . ?
C17 C16 H16 118.6 . . ?
O3 C17 C12 122.7(8) . . ?
O3 C17 C16 120.6(8) . . ?
C16 C17 C12 116.6(8) . . ?
N4 C18 C19 115.9(7) . . ?
N4 C18 C23 122.7(8) . . ?
C23 C18 C19 121.4(9) . . ?
O4 C19 C18 118.2(8) . . ?
O4 C19 C20 123.5(8) . . ?
C20 C19 C18 118.1(8) . . ?
C19 C20 H20 119.4 . . ?
C19 C20 C21 121.2(9) . . ?
C21 C20 H20 119.4 . . ?
C20 C21 H21 120.3 . . ?
C22 C21 C20 119.4(9) . . ?
C22 C21 H21 120.3 . . ?
C21 C22 H22 119.1 . . ?
C21 C22 C23 121.9(9) . . ?
C23 C22 H22 119.1 . . ?
C18 C23 C24 116.9(9) . . ?
C22 C23 C18 117.9(9) . . ?
C22 C23 C24 125.2(8) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 C23 119.6(8) . . ?
C25 C24 H24 120.2 . . ?
C24 C25 H25 119.8 . . ?
C24 C25 C26 120.4(9) . . ?
C26 C25 H25 119.8 . . ?
N4 C26 C25 120.4(9) . . ?
N4 C26 C27 115.7(8) . . ?
C25 C26 C27 123.9(8) . . ?
N5 C27 C26 115.8(8) . . ?
N5 C27 H27 122.1 . . ?
C26 C27 H27 122.1 . . ?
O5 C28 N6 124.2(8) . . ?
O5 C28 C29 119.5(8) . . ?
N6 C28 C29 116.3(8) . . ?
C30 C29 C28 119.1(8) . . ?
C34 C29 C28 122.2(9) . . ?
C34 C29 C30 118.6(9) . . ?
C29 C30 H30 119.5 . . ?
C31 C30 C29 121.1(10) . . ?
C31 C30 H30 119.5 . . ?
C30 C31 H31 120.8 . . ?
C32 C31 C30 118.4(10) . . ?
C32 C31 H31 120.8 . . ?
C31 C32 H32 118.6 . . ?
C33 C32 C31 122.7(11) . . ?
C33 C32 H32 118.6 . . ?
C32 C33 H33 120.2 . . ?
C32 C33 C34 119.5(12) . . ?
C34 C33 H33 120.2 . . ?
O6 C34 C29 122.7(9) . . ?
O6 C34 C33 117.8(10) . . ?
C29 C34 C33 119.5(10) . . ?
N7 C35 C36 116.6(7) . . ?
N7 C35 C40 123.4(7) . . ?
C40 C35 C36 120.0(8) . . ?
O7 C36 C35 116.5(7) . . ?
O7 C36 C37 125.9(8) . . ?
C37 C36 C35 117.5(8) . . ?
C36 C37 H37 119.6 . . ?
C36 C37 C38 120.9(8) . . ?
C38 C37 H37 119.6 . . ?
C37 C38 H38 118.4 . . ?
C39 C38 C37 123.2(9) . . ?
C39 C38 H38 118.4 . . ?
C38 C39 H39 120.7 . . ?
C38 C39 C40 118.6(8) . . ?
C40 C39 H39 120.7 . . ?
C39 C40 C35 119.7(8) . . ?
C39 C40 C41 125.3(8) . . ?
C41 C40 C35 114.9(8) . . ?
C40 C41 H41 119.4 . . ?
C42 C41 C40 121.1(8) . . ?
C42 C41 H41 119.4 . . ?
C41 C42 H42 120.5 . . ?
C41 C42 C43 119.0(8) . . ?
C43 C42 H42 120.5 . . ?
N7 C43 C42 122.9(8) . . ?
N7 C43 C44 113.7(7) . . ?
C42 C43 C44 123.4(7) . . ?
N8 C44 C43 117.2(7) . . ?
N8 C44 H44 121.4 . . ?
C43 C44 H44 121.4 . . ?
O8 C45 N9 119.4(7) . . ?
O8 C45 C46 124.0(8) . . ?
N9 C45 C46 116.4(7) . . ?
C47 C46 C45 118.0(7) . . ?
C51 C46 C45 124.4(7) . . ?
C51 C46 C47 117.5(8) . . ?
C46 C47 H47 118.7 . . ?
C48 C47 C46 122.6(8) . . ?
C48 C47 H47 118.7 . . ?
C47 C48 H48 120.4 . . ?
C47 C48 C49 119.2(9) . . ?
C49 C48 H48 120.4 . . ?
C48 C49 H49 120.0 . . ?
C50 C49 C48 120.0(9) . . ?
C50 C49 H49 120.0 . . ?
C49 C50 H50 118.7 . . ?
C49 C50 C51 122.6(8) . . ?
C51 C50 H50 118.7 . . ?
O9 C51 C46 121.0(7) . . ?
O9 C51 C50 121.1(7) . . ?
C50 C51 C46 117.8(8) . . ?
N10 C52 C53 116.7(8) . . ?
N10 C52 C57 123.2(8) . . ?
C53 C52 C57 120.0(8) . . ?
O10 C53 C52 117.0(8) . . ?
O10 C53 C54 125.0(7) . . ?
C54 C53 C52 117.9(8) . . ?
C53 C54 H54 119.0 . . ?
C53 C54 C55 122.1(9) . . ?
C55 C54 H54 119.0 . . ?
C54 C55 H55 119.3 . . ?
C56 C55 C54 121.4(9) . . ?
C56 C55 H55 119.3 . . ?
C55 C56 H56 120.6 . . ?
C55 C56 C57 118.9(9) . . ?
C57 C56 H56 120.6 . . ?
C56 C57 C52 119.8(8) . . ?
C58 C57 C52 116.0(9) . . ?
C58 C57 C56 124.3(9) . . ?
C57 C58 H58 119.6 . . ?
C59 C58 C57 120.7(9) . . ?
C59 C58 H58 119.6 . . ?
C58 C59 H59 119.9 . . ?
C58 C59 C60 120.1(8) . . ?
C60 C59 H59 119.9 . . ?
N10 C60 C59 121.3(9) . . ?
N10 C60 C61 114.8(8) . . ?
C59 C60 C61 123.9(8) . . ?
N11 C61 C60 115.8(8) . . ?
N11 C61 H61 122.1 . . ?
C60 C61 H61 122.1 . . ?
O11 C62 N12 124.2(8) . . ?
O11 C62 C63 120.0(8) . . ?
N12 C62 C63 115.8(8) . . ?
C64 C63 C62 119.6(9) . . ?
C64 C63 C68 118.7(9) . . ?
C68 C63 C62 121.7(9) . . ?
C63 C64 H64 118.8 . . ?
C63 C64 C65 122.4(10) . . ?
C65 C64 H64 118.8 . . ?
C64 C65 H65 120.6 . . ?
C66 C65 C64 118.8(11) . . ?
C66 C65 H65 120.6 . . ?
C65 C66 H66 119.7 . . ?
C67 C66 C65 120.6(10) . . ?
C67 C66 H66 119.7 . . ?
C66 C67 H67 119.5 . . ?
C66 C67 C68 121.0(10) . . ?
C68 C67 H67 119.5 . . ?
O12 C68 C63 123.0(9) . . ?
O12 C68 C67 118.6(9) . . ?
C67 C68 C63 118.4(10) . . ?
O13 C69 O14 124.5(8) . . ?
O13 C69 C70 116.7(8) . . ?
O14 C69 C70 118.8(8) . . ?
C71 C70 C69 118.2(8) . . ?
C71 C70 C75 121.0(8) . . ?
C75 C70 C69 120.6(8) . . ?
C70 C71 H71 121.1 . . ?
C70 C71 C72 117.8(8) . . ?
C72 C71 H71 121.1 . . ?
C71 C72 H72 119.3 . . ?
C73 C72 C71 121.3(9) . . ?
C73 C72 H72 119.3 . . ?
C72 C73 H73 120.4 . . ?
C72 C73 C74 119.2(9) . . ?
C74 C73 H73 120.4 . . ?
C73 C74 H74 119.9 . . ?
C75 C74 C73 120.2(9) . . ?
C75 C74 H74 119.9 . . ?
C70 C75 H75 119.8 . . ?
C74 C75 C70 120.4(9) . . ?
C74 C75 H75 119.8 . . ?
O15 C76 O16 119.0(8) . . ?
O15 C76 C77 121.8(8) . . ?
O16 C76 C77 119.2(8) . . ?
C78 C77 C76 120.0(8) . . ?
C82 C77 C76 119.4(8) . . ?
C82 C77 C78 120.6(8) . . ?
C77 C78 H78 120.5 . . ?
C79 C78 C77 118.9(9) . . ?
C79 C78 H78 120.5 . . ?
C78 C79 H79 119.8 . . ?
C80 C79 C78 120.5(10) . . ?
C80 C79 H79 119.8 . . ?
C79 C80 H80 120.1 . . ?
C79 C80 C81 119.9(9) . . ?
C81 C80 H80 120.1 . . ?
C80 C81 H81 119.9 . . ?
C82 C81 C80 120.2(9) . . ?
C82 C81 H81 119.9 . . ?
C77 C82 H82 120.1 . . ?
C81 C82 C77 119.7(9) . . ?
C81 C82 H82 120.1 . . ?
O17 C83 H83A 109.5 . . ?
O17 C83 H83B 109.5 . . ?
O17 C83 H83C 109.5 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
O18 C84 C85 119.0(8) . . ?
O19 C84 O18 124.0(8) . . ?
O19 C84 C85 116.9(8) . . ?
C86 C85 C84 121.7(9) . . ?
C90 C85 C84 119.6(9) . . ?
C90 C85 C86 118.4(9) . . ?
C85 C86 H86 118.9 . . ?
C85 C86 C87 122.2(11) . . ?
C87 C86 H86 118.9 . . ?
C86 C87 H87 120.6 . . ?
C86 C87 C88 118.8(11) . . ?
C88 C87 H87 120.6 . . ?
C87 C88 H88 120.1 . . ?
C87 C88 C89 119.8(11) . . ?
C89 C88 H88 120.1 . . ?
C88 C89 H89 120.9 . . ?
C90 C89 C88 118.3(12) . . ?
C90 C89 H89 120.9 . . ?
C85 C90 C89 122.5(11) . . ?
C85 C90 H90 118.7 . . ?
C89 C90 H90 118.7 . . ?
O20 C91 O21 118.2(8) . . ?
O20 C91 C92 122.6(8) . . ?
O21 C91 C92 119.2(8) . . ?
C93 C92 C91 119.0(8) . . ?
C93 C92 C97 119.2(8) . . ?
C97 C92 C91 121.8(8) . . ?
C92 C93 H93 120.4 . . ?
C92 C93 C94 119.2(10) . . ?
C94 C93 H93 120.4 . . ?
C93 C94 H94 119.9 . . ?
C93 C94 C95 120.2(10) . . ?
C95 C94 H94 119.9 . . ?
C94 C95 H95 119.7 . . ?
C96 C95 C94 120.7(9) . . ?
C96 C95 H95 119.7 . . ?
C95 C96 H96 120.2 . . ?
C95 C96 C97 119.6(10) . . ?
C97 C96 H96 120.2 . . ?
C92 C97 C96 121.1(9) . . ?
C92 C97 H97 119.4 . . ?
C96 C97 H97 119.4 . . ?
O23 C98 H98A 109.5 . . ?
O23 C98 H98B 109.5 . . ?
O23 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
O24 C99 H99A 109.5 . . ?
O24 C99 H99B 109.5 . . ?
O24 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
H10A C100 H10B 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C101 C100 H10A 109.5 . . ?
C101 C100 H10B 109.5 . . ?
C101 C100 H10C 109.5 . . ?
N13 C101 C100 177.2(17) . . ?

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 O1 C2 C1 6.3(9) . . . . ?
Dy1 O1 C2 C3 -173.4(6) . . . . ?
Dy1 O2 C11 N3 -14.5(10) . . . . ?
Dy1 O2 C11 C12 165.6(6) . . . . ?
Dy1 O4 C19 C18 -131.5(7) . . . . ?
Dy1 O4 C19 C20 53.8(11) . . . . ?
Dy1 O14 C69 O13 -3.8(12) . . . . ?
Dy1 O14 C69 C70 175.7(5) . . . . ?
Dy1 O15 C76 O16 -4.5(8) . . . . ?
Dy1 O15 C76 C77 175.6(7) . . . . ?
Dy1 O16 C76 O15 4.7(9) . . . . ?
Dy1 O16 C76 C77 -175.5(6) . . . . ?
Dy1 N1 C1 C2 -1.1(9) . . . . ?
Dy1 N1 C1 C6 177.1(6) . . . . ?
Dy1 N1 C9 C8 -178.3(6) . . . . ?
Dy1 N1 C9 C10 1.6(10) . . . . ?
Dy1 N2 N3 C11 0.9(8) . . . . ?
Dy1 N2 C10 C9 -7.4(9) . . . . ?
Dy2 O1 C2 C1 -142.3(6) . . . . ?
Dy2 O1 C2 C3 38.0(11) . . . . ?
Dy2 O4 C19 C18 14.3(10) . . . . ?
Dy2 O4 C19 C20 -160.4(7) . . . . ?
Dy2 O5 C28 N6 14.1(11) . . . . ?
Dy2 O5 C28 C29 -168.5(6) . . . . ?
Dy2 O9 C51 C46 -141.8(7) . . . . ?
Dy2 O9 C51 C50 39.2(13) . . . . ?
Dy2 O13 C69 O14 -25.1(13) . . . . ?
Dy2 O13 C69 C70 155.4(6) . . . . ?
Dy2 N4 C18 C19 -13.1(10) . . . . ?
Dy2 N4 C18 C23 165.9(7) . . . . ?
Dy2 N4 C26 C25 -166.7(7) . . . . ?
Dy2 N4 C26 C27 12.7(11) . . . . ?
Dy2 N5 N6 C28 -3.3(9) . . . . ?
Dy2 N5 C27 C26 -1.8(12) . . . . ?
Dy3 O7 C36 C35 9.5(9) . . . . ?
Dy3 O7 C36 C37 -170.6(7) . . . . ?
Dy3 O8 C45 N9 -11.6(10) . . . . ?
Dy3 O8 C45 C46 163.4(6) . . . . ?
Dy3 O10 C53 C52 -133.8(6) . . . . ?
Dy3 O10 C53 C54 49.3(11) . . . . ?
Dy3 O19 C84 O18 -8.3(13) . . . . ?
Dy3 O19 C84 C85 173.8(5) . . . . ?
Dy3 O20 C91 O21 -1.8(8) . . . . ?
Dy3 O20 C91 C92 178.8(7) . . . . ?
Dy3 O21 C91 O20 1.8(8) . . . . ?
Dy3 O21 C91 C92 -178.8(6) . . . . ?
Dy3 N7 C35 C36 -6.0(9) . . . . ?
Dy3 N7 C35 C40 174.3(6) . . . . ?
Dy3 N7 C43 C42 -177.6(6) . . . . ?
Dy3 N7 C43 C44 3.6(9) . . . . ?
Dy3 N8 N9 C45 6.3(8) . . . . ?
Dy3 N8 C44 C43 -9.0(9) . . . . ?
Dy4 O3 C17 C12 -141.4(9) 1_665 . . . ?
Dy4 O3 C17 C16 41.8(15) 1_665 . . . ?
Dy4 O7 C36 C35 -145.0(5) . . . . ?
Dy4 O7 C36 C37 34.9(11) . . . . ?
Dy4 O10 C53 C52 11.5(9) . . . . ?
Dy4 O10 C53 C54 -165.3(7) . . . . ?
Dy4 O11 C62 N12 7.4(12) . . . . ?
Dy4 O11 C62 C63 -172.8(6) . . . . ?
Dy4 O18 C84 O19 -13.3(12) . . . . ?
Dy4 O18 C84 C85 164.5(5) . . . . ?
Dy4 N10 C52 C53 -12.8(10) . . . . ?
Dy4 N10 C52 C57 167.4(7) . . . . ?
Dy4 N10 C60 C59 -166.1(7) . . . . ?
Dy4 N10 C60 C61 12.9(11) . . . . ?
Dy4 N11 N12 C62 -2.7(9) . . . . ?
Dy4 N11 C61 C60 -2.0(11) . . . . ?
O1 C2 C3 C4 -178.2(7) . . . . ?
O2 C11 C12 C13 3.3(12) . . . . ?
O2 C11 C12 C17 -172.5(8) . . . . ?
O4 C19 C20 C21 179.0(8) . . . . ?
O5 C28 C29 C30 7.8(12) . . . . ?
O5 C28 C29 C34 -175.2(9) . . . . ?
O7 C36 C37 C38 179.8(7) . . . . ?
O8 C45 C46 C47 5.8(12) . . . . ?
O8 C45 C46 C51 -170.1(8) . . . . ?
O10 C53 C54 C55 178.9(8) . . . . ?
O11 C62 C63 C64 10.1(13) . . . . ?
O11 C62 C63 C68 -169.7(8) . . . . ?
O13 C69 C70 C71 -7.6(11) . . . . ?
O13 C69 C70 C75 177.3(8) . . . . ?
O14 C69 C70 C71 172.8(8) . . . . ?
O14 C69 C70 C75 -2.3(12) . . . . ?
O15 C76 C77 C78 10.5(13) . . . . ?
O15 C76 C77 C82 -170.6(8) . . . . ?
O16 C76 C77 C78 -169.4(9) . . . . ?
O16 C76 C77 C82 9.5(12) . . . . ?
O18 C84 C85 C86 -2.1(13) . . . . ?
O18 C84 C85 C90 -174.9(8) . . . . ?
O19 C84 C85 C86 175.9(8) . . . . ?
O19 C84 C85 C90 3.0(12) . . . . ?
O20 C91 C92 C93 0.0(13) . . . . ?
O20 C91 C92 C97 -178.6(9) . . . . ?
O21 C91 C92 C93 -179.4(9) . . . . ?
O21 C91 C92 C97 2.0(13) . . . . ?
N1 C1 C2 O1 -3.2(10) . . . . ?
N1 C1 C2 C3 176.6(7) . . . . ?
N1 C1 C6 C5 -177.6(8) . . . . ?
N1 C1 C6 C7 2.9(11) . . . . ?
N1 C9 C10 N2 3.8(11) . . . . ?
N2 N3 C11 O2 8.1(11) . . . . ?
N2 N3 C11 C12 -172.0(7) . . . . ?
N3 N2 C10 C9 -176.8(7) . . . . ?
N3 C11 C12 C13 -176.6(7) . . . . ?
N3 C11 C12 C17 7.6(12) . . . . ?
N4 C18 C19 O4 -0.2(12) . . . . ?
N4 C18 C19 C20 174.8(8) . . . . ?
N4 C18 C23 C22 -176.8(9) . . . . ?
N4 C18 C23 C24 2.1(14) . . . . ?
N4 C26 C27 N5 -6.9(13) . . . . ?
N5 N6 C28 O5 -6.4(12) . . . . ?
N5 N6 C28 C29 176.1(7) . . . . ?
N6 N5 C27 C26 176.3(8) . . . . ?
N6 C28 C29 C30 -174.5(8) . . . . ?
N6 C28 C29 C34 2.4(13) . . . . ?
N7 C35 C36 O7 -1.8(10) . . . . ?
N7 C35 C36 C37 178.2(7) . . . . ?
N7 C35 C40 C39 -178.1(8) . . . . ?
N7 C35 C40 C41 3.3(12) . . . . ?
N7 C43 C44 N8 3.6(10) . . . . ?
N8 N9 C45 O8 2.7(11) . . . . ?
N8 N9 C45 C46 -172.7(7) . . . . ?
N9 N8 C44 C43 -177.3(7) . . . . ?
N9 C45 C46 C47 -179.1(7) . . . . ?
N9 C45 C46 C51 5.0(12) . . . . ?
N10 C52 C53 O10 1.3(11) . . . . ?
N10 C52 C53 C54 178.4(8) . . . . ?
N10 C52 C57 C56 -179.5(9) . . . . ?
N10 C52 C57 C58 -0.3(14) . . . . ?
N10 C60 C61 N11 -6.8(13) . . . . ?
N11 N12 C62 O11 -2.7(12) . . . . ?
N11 N12 C62 C63 177.5(7) . . . . ?
N12 N11 C61 C60 177.8(8) . . . . ?
N12 C62 C63 C64 -170.1(8) . . . . ?
N12 C62 C63 C68 10.1(13) . . . . ?
C1 N1 C9 C8 0.5(12) . . . . ?
C1 N1 C9 C10 -179.5(7) . . . . ?
C1 C2 C3 C4 2.0(12) . . . . ?
C1 C6 C7 C8 -2.8(12) . . . . ?
C2 C1 C6 C5 0.5(11) . . . . ?
C2 C1 C6 C7 -179.0(7) . . . . ?
C2 C3 C4 C5 -1.3(13) . . . . ?
C3 C4 C5 C6 0.1(13) . . . . ?
C4 C5 C6 C1 0.2(12) . . . . ?
C4 C5 C6 C7 179.7(8) . . . . ?
C5 C6 C7 C8 177.8(8) . . . . ?
C6 C1 C2 O1 178.6(7) . . . . ?
C6 C1 C2 C3 -1.7(11) . . . . ?
C6 C7 C8 C9 1.7(13) . . . . ?
C7 C8 C9 N1 -0.5(13) . . . . ?
C7 C8 C9 C10 179.6(8) . . . . ?
C8 C9 C10 N2 -176.3(7) . . . . ?
C9 N1 C1 C2 180.0(7) . . . . ?
C9 N1 C1 C6 -1.9(11) . . . . ?
C10 N2 N3 C11 170.9(7) . . . . ?
C11 C12 C13 C14 -175.5(8) . . . . ?
C11 C12 C17 O3 -4.4(12) . . . . ?
C11 C12 C17 C16 172.5(8) . . . . ?
C12 C13 C14 C15 1.9(13) . . . . ?
C13 C12 C17 O3 179.9(7) . . . . ?
C13 C12 C17 C16 -3.2(12) . . . . ?
C13 C14 C15 C16 -1.2(14) . . . . ?
C14 C15 C16 C17 -1.8(14) . . . . ?
C15 C16 C17 O3 -179.1(8) . . . . ?
C15 C16 C17 C12 3.9(13) . . . . ?
C17 C12 C13 C14 0.4(12) . . . . ?
C18 N4 C26 C25 -1.7(13) . . . . ?
C18 N4 C26 C27 177.7(8) . . . . ?
C18 C19 C20 C21 4.2(14) . . . . ?
C18 C23 C24 C25 -3.2(15) . . . . ?
C19 C18 C23 C22 2.2(14) . . . . ?
C19 C18 C23 C24 -178.9(9) . . . . ?
C19 C20 C21 C22 -2.3(15) . . . . ?
C20 C21 C22 C23 0.1(16) . . . . ?
C21 C22 C23 C18 -0.1(16) . . . . ?
C21 C22 C23 C24 -178.9(10) . . . . ?
C22 C23 C24 C25 175.6(11) . . . . ?
C23 C18 C19 O4 -179.3(8) . . . . ?
C23 C18 C19 C20 -4.2(13) . . . . ?
C23 C24 C25 C26 2.1(16) . . . . ?
C24 C25 C26 N4 0.4(15) . . . . ?
C24 C25 C26 C27 -178.9(10) . . . . ?
C25 C26 C27 N5 172.4(9) . . . . ?
C26 N4 C18 C19 -178.7(8) . . . . ?
C26 N4 C18 C23 0.3(13) . . . . ?
C27 N5 N6 C28 178.4(8) . . . . ?
C28 C29 C30 C31 178.3(9) . . . . ?
C28 C29 C34 O6 1.4(16) . . . . ?
C28 C29 C34 C33 -179.3(10) . . . . ?
C29 C30 C31 C32 -1.0(15) . . . . ?
C30 C29 C34 O6 178.3(10) . . . . ?
C30 C29 C34 C33 -2.3(16) . . . . ?
C30 C31 C32 C33 2.0(17) . . . . ?
C31 C32 C33 C34 -3.1(19) . . . . ?
C32 C33 C34 O6 -177.3(11) . . . . ?
C32 C33 C34 C29 3.3(18) . . . . ?
C34 C29 C30 C31 1.2(14) . . . . ?
C35 N7 C43 C42 1.5(11) . . . . ?
C35 N7 C43 C44 -177.3(7) . . . . ?
C35 C36 C37 C38 -0.3(12) . . . . ?
C35 C40 C41 C42 1.7(12) . . . . ?
C36 C35 C40 C39 2.2(12) . . . . ?
C36 C35 C40 C41 -176.4(7) . . . . ?
C36 C37 C38 C39 2.7(14) . . . . ?
C37 C38 C39 C40 -2.6(14) . . . . ?
C38 C39 C40 C35 0.1(13) . . . . ?
C38 C39 C40 C41 178.5(8) . . . . ?
C39 C40 C41 C42 -176.7(9) . . . . ?
C40 C35 C36 O7 177.9(7) . . . . ?
C40 C35 C36 C37 -2.0(11) . . . . ?
C40 C41 C42 C43 -4.9(13) . . . . ?
C41 C42 C43 N7 3.4(12) . . . . ?
C41 C42 C43 C44 -178.0(8) . . . . ?
C42 C43 C44 N8 -175.2(7) . . . . ?
C43 N7 C35 C36 174.8(7) . . . . ?
C43 N7 C35 C40 -4.9(11) . . . . ?
C44 N8 N9 C45 175.3(7) . . . . ?
C45 C46 C47 C48 -176.4(8) . . . . ?
C45 C46 C51 O9 -6.8(13) . . . . ?
C45 C46 C51 C50 172.2(8) . . . . ?
C46 C47 C48 C49 3.0(14) . . . . ?
C47 C46 C51 O9 177.3(7) . . . . ?
C47 C46 C51 C50 -3.7(12) . . . . ?
C47 C48 C49 C50 -1.8(15) . . . . ?
C48 C49 C50 C51 -2.3(15) . . . . ?
C49 C50 C51 O9 -176.0(8) . . . . ?
C49 C50 C51 C46 5.0(13) . . . . ?
C51 C46 C47 C48 -0.2(12) . . . . ?
C52 N10 C60 C59 0.4(14) . . . . ?
C52 N10 C60 C61 179.4(8) . . . . ?
C52 C53 C54 C55 2.1(13) . . . . ?
C52 C57 C58 C59 -0.1(15) . . . . ?
C53 C52 C57 C56 0.8(14) . . . . ?
C53 C52 C57 C58 179.9(8) . . . . ?
C53 C54 C55 C56 -1.3(15) . . . . ?
C54 C55 C56 C57 0.2(15) . . . . ?
C55 C56 C57 C52 0.1(14) . . . . ?
C55 C56 C57 C58 -179.0(9) . . . . ?
C56 C57 C58 C59 179.0(10) . . . . ?
C57 C52 C53 O10 -178.9(7) . . . . ?
C57 C52 C53 C54 -1.8(13) . . . . ?
C57 C58 C59 C60 0.6(16) . . . . ?
C58 C59 C60 N10 -0.8(15) . . . . ?
C58 C59 C60 C61 -179.7(10) . . . . ?
C59 C60 C61 N11 172.2(9) . . . . ?
C60 N10 C52 C53 179.9(8) . . . . ?
C60 N10 C52 C57 0.2(13) . . . . ?
C61 N11 N12 C62 177.6(8) . . . . ?
C62 C63 C64 C65 -178.8(9) . . . . ?
C62 C63 C68 O12 -2.1(14) . . . . ?
C62 C63 C68 C67 177.5(8) . . . . ?
C63 C64 C65 C66 1.4(16) . . . . ?
C64 C63 C68 O12 178.1(9) . . . . ?
C64 C63 C68 C67 -2.3(14) . . . . ?
C64 C65 C66 C67 -2.3(16) . . . . ?
C65 C66 C67 C68 1.0(16) . . . . ?
C66 C67 C68 O12 -179.1(9) . . . . ?
C66 C67 C68 C63 1.4(15) . . . . ?
C68 C63 C64 C65 1.0(15) . . . . ?
C69 C70 C71 C72 -175.8(8) . . . . ?
C69 C70 C75 C74 177.2(8) . . . . ?
C70 C71 C72 C73 -1.3(14) . . . . ?
C71 C70 C75 C74 2.2(14) . . . . ?
C71 C72 C73 C74 1.9(15) . . . . ?
C72 C73 C74 C75 -0.4(15) . . . . ?
C73 C74 C75 C70 -1.7(15) . . . . ?
C75 C70 C71 C72 -0.7(13) . . . . ?
C76 C77 C78 C79 -179.0(9) . . . . ?
C76 C77 C82 C81 178.1(8) . . . . ?
C77 C78 C79 C80 -1.7(17) . . . . ?
C78 C77 C82 C81 -3.0(14) . . . . ?
C78 C79 C80 C81 2.3(18) . . . . ?
C79 C80 C81 C82 -3.2(17) . . . . ?
C80 C81 C82 C77 3.5(15) . . . . ?
C82 C77 C78 C79 2.1(14) . . . . ?
C84 C85 C86 C87 -172.5(9) . . . . ?
C84 C85 C90 C89 173.1(10) . . . . ?
C85 C86 C87 C88 1.0(16) . . . . ?
C86 C85 C90 C89 0.0(16) . . . . ?
C86 C87 C88 C89 -2.9(18) . . . . ?
C87 C88 C89 C90 3.2(19) . . . . ?
C88 C89 C90 C85 -1.8(18) . . . . ?
C90 C85 C86 C87 0.4(15) . . . . ?
C91 C92 C93 C94 179.2(9) . . . . ?
C91 C92 C97 C96 -179.9(9) . . . . ?
C92 C93 C94 C95 0.6(18) . . . . ?
C93 C92 C97 C96 1.5(15) . . . . ?
C93 C94 C95 C96 1.8(19) . . . . ?
C94 C95 C96 C97 -2.5(18) . . . . ?
C95 C96 C97 C92 0.9(17) . . . . ?
C97 C92 C93 C94 -2.2(15) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form

_vrf_PLAT306_51D                 
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......O25 CheckRESPONSE: It is a disordered water molecule.
;
_vrf_PLAT417_51D                 
;
PROBLEM: Short Inter D-H..H-D  H22B  ..H24A  . 1.95 Ang.  x,y,z  = 1_555 Check
RESPONSE:O24 is a acceptor of H22B-O22 (O24\^a\/E?H22B-O22) , and meanwhile it is a donor to another PhCOO- (O21\^a\/E?H24A-O24), so H24A is restricted.
;

# end Validation Reply Form


####################################################################### 
# 
# 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_2dy2
_database_code_depnum_ccdc_archive 'CCDC 1021520'
loop_
_audit_author_name
_audit_author_address
'Li Zhang'
;Changchun Institute of Applied Chemistry
China
;
_audit_update_record             
;
2021-06-11 deposited with the CCDC.	2021-06-11 downloaded from the CCDC.
;
_audit_creation_date             2021-05-31
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C50 H40 Dy2 N6 O12, 3(C H4 O)'
_chemical_formula_sum            'C53 H52 Dy2 N6 O15'
_chemical_formula_weight         1338.00
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.6137(10)
_cell_length_b                   10.8593(10)
_cell_length_c                   11.3970(11)
_cell_angle_alpha                78.970(2)
_cell_angle_beta                 81.792(2)
_cell_angle_gamma                87.250(2)
_cell_volume                     1275.8(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    4755
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.19
_cell_measurement_theta_min      2.48
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.982
_exptl_absorpt_correction_T_max  0.621
_exptl_absorpt_correction_T_min  0.573
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Sadabs; bruker, 2000)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            dark-orange
_exptl_crystal_density_diffrn    1.741
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_av_unetI/netI     0.0489
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7172
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.195
_diffrn_reflns_theta_min         1.911
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           35.0
_diffrn_source_power             1.575
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4479
_reflns_number_total             5038
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_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    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         2.011
_refine_diff_density_min         -1.254
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     350
_refine_ls_number_reflns         5038
_refine_ls_number_restraints     26
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0380
_refine_ls_restrained_S_all      1.084
_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)+(0.0434P)²+2.6979P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0894
_refine_ls_wR_factor_ref         0.0933
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H6 of O6
 At 1.5 times of:
  All C(H,H,H) groups, H7A of O7, H8A of O8, H3 of O3
2. Restrained distances
 O8-C27
 1.43 with sigma of 0.02
 O7-C26
 1.42 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C25) \\sim Ueq, Uanis(O6) \\sim Ueq, Uanis(O8) \\sim Ueq, Uanis(C27)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O8) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: O7(0.5) H7A(0.5) H26A(0.5) H26B(0.5) H26C(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 O6(H6), C2(H2), C3(H3A), C4(H4), C7(H7), C8(H8), C10(H10), C13(H13), C14(H14),
  C15(H15), C16(H16), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24)
5.b Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C26(H26A,H26B,H26C)
5.c Idealised tetrahedral OH refined as rotating group:
 O3(H3), O8(H8A), O7(H7A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.56870(2) 0.96924(2) 0.64830(2) 0.02381(9) Uani 1 1 d . . . . .
N1 N 0.3743(4) 0.9748(4) 0.7915(4) 0.0243(9) Uani 1 1 d . . . . .
N2 N 0.5801(4) 0.8628(4) 0.8600(4) 0.0276(9) Uani 1 1 d . . . . .
N3 N 0.6933(4) 0.8052(4) 0.8896(4) 0.0306(10) Uani 1 1 d . . . . .
O1 O 0.3900(3) 1.0515(3) 0.5543(3) 0.0288(8) Uani 1 1 d . . . . .
O2 O 0.7653(3) 0.8939(4) 0.6917(3) 0.0349(9) Uani 1 1 d . . . . .
O3 O 0.8452(4) 0.6665(4) 1.0153(4) 0.0481(11) Uani 1 1 d . . . . .
H3 H 0.776727 0.697129 0.997808 0.072 Uiso 1 1 calc R U . . .
O4 O 0.6041(4) 1.1445(4) 0.7431(3) 0.0469(11) Uani 1 1 d . . . . .
O5 O 0.6700(5) 1.1608(4) 0.5527(4) 0.0513(12) Uani 1 1 d . . . . .
O6 O 0.5059(6) 0.7606(5) 0.6583(5) 0.088(2) Uani 1 1 d . U . . .
H6 H 0.433049 0.747831 0.714730 0.106 Uiso 1 1 calc R U . . .
C1 C 0.2807(5) 1.0789(5) 0.6211(4) 0.0272(11) Uani 1 1 d . . . . .
C2 C 0.1785(5) 1.1424(5) 0.5770(5) 0.0347(13) Uani 1 1 d . . . . .
H2 H 0.180463 1.167636 0.494074 0.042 Uiso 1 1 calc R U . . .
C3 C 0.0692(5) 1.1709(6) 0.6553(5) 0.0382(13) Uani 1 1 d . . . . .
H3A H 0.001136 1.214461 0.622228 0.046 Uiso 1 1 calc R U . . .
C4 C 0.0611(5) 1.1366(5) 0.7768(5) 0.0339(12) Uani 1 1 d . . . . .
H4 H -0.010499 1.158630 0.826330 0.041 Uiso 1 1 calc R U . . .
C5 C 0.1620(5) 1.0675(5) 0.8271(5) 0.0297(11) Uani 1 1 d . . . . .
C6 C 0.2725(5) 1.0385(5) 0.7495(4) 0.0253(10) Uani 1 1 d . . . . .
C7 C 0.1664(5) 1.0246(5) 0.9515(5) 0.0313(12) Uani 1 1 d . . . . .
H7 H 0.098093 1.043383 1.006484 0.038 Uiso 1 1 calc R U . . .
C8 C 0.2669(5) 0.9567(5) 0.9937(5) 0.0307(12) Uani 1 1 d . . . . .
H8 H 0.266548 0.927111 1.075894 0.037 Uiso 1 1 calc R U . . .
C9 C 0.3714(5) 0.9324(5) 0.9101(4) 0.0263(11) Uani 1 1 d . . . . .
C10 C 0.4877(5) 0.8665(5) 0.9448(5) 0.0285(11) Uani 1 1 d . . . . .
H10 H 0.494159 0.829242 1.024341 0.034 Uiso 1 1 calc R U . . .
C11 C 0.7833(5) 0.8294(5) 0.7948(5) 0.0278(11) Uani 1 1 d . . . . .
C12 C 0.9128(5) 0.7815(5) 0.8142(5) 0.0296(11) Uani 1 1 d . . . . .
C13 C 1.0145(5) 0.8158(5) 0.7226(5) 0.0322(12) Uani 1 1 d . . . . .
H13 H 0.999297 0.867597 0.650867 0.039 Uiso 1 1 calc R U . . .
C14 C 1.1368(6) 0.7738(6) 0.7373(6) 0.0413(14) Uani 1 1 d . . . . .
H14 H 1.203504 0.796987 0.675774 0.050 Uiso 1 1 calc R U . . .
C15 C 1.1598(6) 0.6976(6) 0.8432(7) 0.0481(16) Uani 1 1 d . . . . .
H15 H 1.242440 0.669424 0.852993 0.058 Uiso 1 1 calc R U . . .
C16 C 1.0625(6) 0.6624(6) 0.9346(7) 0.0493(16) Uani 1 1 d . . . . .
H16 H 1.080016 0.610315 1.005433 0.059 Uiso 1 1 calc R U . . .
C17 C 0.9375(6) 0.7035(5) 0.9231(5) 0.0359(13) Uani 1 1 d . . . . .
C18 C 0.6638(5) 1.2043(5) 0.6479(5) 0.0294(11) Uani 1 1 d . . . . .
C19 C 0.7277(5) 1.3234(5) 0.6468(5) 0.0305(11) Uani 1 1 d . . . . .
C20 C 0.7391(6) 1.3620(6) 0.7534(6) 0.0402(14) Uani 1 1 d . . . . .
H20 H 0.704900 1.314812 0.827053 0.048 Uiso 1 1 calc R U . . .
C21 C 0.8026(7) 1.4723(6) 0.7492(6) 0.0494(17) Uani 1 1 d . . . . .
H21 H 0.811187 1.498823 0.820514 0.059 Uiso 1 1 calc R U . . .
C22 C 0.8525(6) 1.5422(6) 0.6405(6) 0.0477(16) Uani 1 1 d . . . . .
H22 H 0.895403 1.615409 0.638742 0.057 Uiso 1 1 calc R U . . .
C23 C 0.8399(7) 1.5054(6) 0.5355(7) 0.0544(18) Uani 1 1 d . . . . .
H23 H 0.871787 1.554645 0.462102 0.065 Uiso 1 1 calc R U . . .
C24 C 0.7793(7) 1.3945(6) 0.5377(6) 0.0467(16) Uani 1 1 d . . . . .
H24 H 0.773354 1.367723 0.465905 0.056 Uiso 1 1 calc R U . . .
C25 C 0.5293(10) 0.6606(8) 0.6200(14) 0.126(5) Uani 1 1 d . U . . .
H25A H 0.598810 0.672521 0.555257 0.189 Uiso 1 1 calc R U . . .
H25B H 0.455315 0.636505 0.591040 0.189 Uiso 1 1 calc R U . . .
H25C H 0.551923 0.595998 0.684066 0.189 Uiso 1 1 calc R U . . .
O8 O 0.7086(10) 0.5687(13) 0.2546(9) 0.181(5) Uani 1 1 d D U . . .
H8A H 0.755559 0.600976 0.290809 0.272 Uiso 1 1 calc R U . . .
C27 C 0.6111(12) 0.6489(8) 0.2276(13) 0.144(6) Uani 1 1 d D U . . .
H27A H 0.540372 0.632110 0.290636 0.217 Uiso 1 1 calc R U . . .
H27B H 0.586003 0.637970 0.152690 0.217 Uiso 1 1 calc R U . . .
H27C H 0.637697 0.733592 0.220426 0.217 Uiso 1 1 calc R U . . .
O7 O 0.4787(10) 0.5644(8) 0.8776(6) 0.053(2) Uani 0.5 1 d D . P A -1
H7A H 0.461877 0.512467 0.838780 0.079 Uiso 0.5 1 calc R U P A -1
C26 C 0.500000 0.500000 1.000000 0.098(4) Uiso 1 2 d DS . P . .
H26A H 0.589741 0.493098 1.004627 0.147 Uiso 0.5 1 calc R U P A -1
H26B H 0.464819 0.417678 1.016498 0.147 Uiso 0.5 1 calc R U P A -1
H26C H 0.459293 0.547450 1.058317 0.147 Uiso 0.5 1 calc R U P A -1


_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 3.8014(5) 2_676 ?
Dy1 N1 2.447(4) . ?
Dy1 N2 2.485(4) . ?
Dy1 O1 2.339(3) 2_676 ?
Dy1 O1 2.366(3) . ?
Dy1 O2 2.291(4) . ?
Dy1 O4 2.429(4) . ?
Dy1 O5 2.384(4) . ?
Dy1 O6 2.369(5) . ?
N1 C6 1.351(6) . ?
N1 C9 1.339(6) . ?
N2 N3 1.382(6) . ?
N2 C10 1.280(7) . ?
N3 C11 1.330(7) . ?
O1 C1 1.347(6) . ?
O2 C11 1.282(6) . ?
O3 H3 0.8200 . ?
O3 C17 1.344(7) . ?
O4 C18 1.254(7) . ?
O5 C18 1.256(6) . ?
O6 H6 0.9300 . ?
O6 C25 1.247(10) . ?
C1 C2 1.363(7) . ?
C1 C6 1.437(7) . ?
C2 H2 0.9300 . ?
C2 C3 1.419(8) . ?
C3 H3A 0.9300 . ?
C3 C4 1.354(8) . ?
C4 H4 0.9300 . ?
C4 C5 1.405(8) . ?
C5 C6 1.425(7) . ?
C5 C7 1.412(7) . ?
C7 H7 0.9300 . ?
C7 C8 1.360(8) . ?
C8 H8 0.9300 . ?
C8 C9 1.405(7) . ?
C9 C10 1.462(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.477(7) . ?
C12 C13 1.400(8) . ?
C12 C17 1.413(8) . ?
C13 H13 0.9300 . ?
C13 C14 1.377(8) . ?
C14 H14 0.9300 . ?
C14 C15 1.372(9) . ?
C15 H15 0.9300 . ?
C15 C16 1.370(10) . ?
C16 H16 0.9300 . ?
C16 C17 1.395(8) . ?
C18 C19 1.486(8) . ?
C19 C20 1.381(8) . ?
C19 C24 1.387(8) . ?
C20 H20 0.9300 . ?
C20 C21 1.392(8) . ?
C21 H21 0.9300 . ?
C21 C22 1.372(9) . ?
C22 H22 0.9300 . ?
C22 C23 1.358(10) . ?
C23 H23 0.9300 . ?
C23 C24 1.387(9) . ?
C24 H24 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
O8 H8A 0.8200 . ?
O8 C27 1.351(12) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
O7 H7A 0.8200 . ?
O7 C26 1.479(6) . ?
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
N1 Dy1 Dy1 100.60(9) . 2_676 ?
N1 Dy1 N2 63.46(14) . . ?
N2 Dy1 Dy1 154.49(10) . 2_676 ?
O1 Dy1 Dy1 35.88(8) . 2_676 ?
O1 Dy1 Dy1 36.34(8) 2_676 2_676 ?
O1 Dy1 N1 134.00(12) 2_676 . ?
O1 Dy1 N1 66.96(12) . . ?
O1 Dy1 N2 129.76(13) . . ?
O1 Dy1 N2 145.05(14) 2_676 . ?
O1 Dy1 O1 72.22(13) 2_676 . ?
O1 Dy1 O4 130.16(13) 2_676 . ?
O1 Dy1 O4 98.85(14) . . ?
O1 Dy1 O5 86.34(16) . . ?
O1 Dy1 O5 76.99(13) 2_676 . ?
O1 Dy1 O6 78.18(16) 2_676 . ?
O1 Dy1 O6 91.5(2) . . ?
O2 Dy1 Dy1 130.52(9) . 2_676 ?
O2 Dy1 N1 126.96(13) . . ?
O2 Dy1 N2 63.80(13) . . ?
O2 Dy1 O1 94.27(13) . 2_676 ?
O2 Dy1 O1 165.99(12) . . ?
O2 Dy1 O4 86.94(16) . . ?
O2 Dy1 O5 86.98(16) . . ?
O2 Dy1 O6 89.2(2) . . ?
O4 Dy1 Dy1 119.51(11) . 2_676 ?
O4 Dy1 N1 77.47(14) . . ?
O4 Dy1 N2 78.23(14) . . ?
O5 Dy1 Dy1 79.73(11) . 2_676 ?
O5 Dy1 N1 119.42(15) . . ?
O5 Dy1 N2 124.98(15) . . ?
O5 Dy1 O4 53.27(13) . . ?
O6 Dy1 Dy1 83.72(18) . 2_676 ?
O6 Dy1 N1 82.54(16) . . ?
O6 Dy1 N2 74.85(19) . . ?
O6 Dy1 O4 151.60(17) . . ?
O6 Dy1 O5 154.51(16) . . ?
C6 N1 Dy1 117.4(3) . . ?
C9 N1 Dy1 122.4(3) . . ?
C9 N1 C6 119.6(4) . . ?
N3 N2 Dy1 119.0(3) . . ?
C10 N2 Dy1 122.4(3) . . ?
C10 N2 N3 118.4(4) . . ?
C11 N3 N2 109.5(4) . . ?
Dy1 O1 Dy1 107.78(13) 2_676 . ?
C1 O1 Dy1 130.6(3) . 2_676 ?
C1 O1 Dy1 120.4(3) . . ?
C11 O2 Dy1 122.7(3) . . ?
C17 O3 H3 109.5 . . ?
C18 O4 Dy1 92.9(3) . . ?
C18 O5 Dy1 95.0(3) . . ?
Dy1 O6 H6 106.8 . . ?
C25 O6 Dy1 146.4(7) . . ?
C25 O6 H6 106.8 . . ?
O1 C1 C2 125.4(5) . . ?
O1 C1 C6 117.0(4) . . ?
C2 C1 C6 117.6(5) . . ?
C1 C2 H2 119.4 . . ?
C1 C2 C3 121.2(5) . . ?
C3 C2 H2 119.4 . . ?
C2 C3 H3A 119.0 . . ?
C4 C3 C2 122.0(5) . . ?
C4 C3 H3A 119.0 . . ?
C3 C4 H4 120.4 . . ?
C3 C4 C5 119.3(5) . . ?
C5 C4 H4 120.4 . . ?
C4 C5 C6 119.3(5) . . ?
C4 C5 C7 125.5(5) . . ?
C7 C5 C6 115.1(5) . . ?
N1 C6 C1 116.8(4) . . ?
N1 C6 C5 122.7(5) . . ?
C5 C6 C1 120.5(5) . . ?
C5 C7 H7 118.9 . . ?
C8 C7 C5 122.3(5) . . ?
C8 C7 H7 118.9 . . ?
C7 C8 H8 120.8 . . ?
C7 C8 C9 118.4(5) . . ?
C9 C8 H8 120.8 . . ?
N1 C9 C8 121.8(5) . . ?
N1 C9 C10 114.6(4) . . ?
C8 C9 C10 123.5(5) . . ?
N2 C10 C9 116.5(4) . . ?
N2 C10 H10 121.7 . . ?
C9 C10 H10 121.7 . . ?
N3 C11 C12 116.2(5) . . ?
O2 C11 N3 124.5(5) . . ?
O2 C11 C12 119.2(5) . . ?
C13 C12 C11 119.1(5) . . ?
C13 C12 C17 118.9(5) . . ?
C17 C12 C11 122.0(5) . . ?
C12 C13 H13 119.5 . . ?
C14 C13 C12 121.0(6) . . ?
C14 C13 H13 119.5 . . ?
C13 C14 H14 120.1 . . ?
C15 C14 C13 119.7(6) . . ?
C15 C14 H14 120.1 . . ?
C14 C15 H15 119.6 . . ?
C16 C15 C14 120.8(6) . . ?
C16 C15 H15 119.6 . . ?
C15 C16 H16 119.5 . . ?
C15 C16 C17 121.1(6) . . ?
C17 C16 H16 119.5 . . ?
O3 C17 C12 122.6(5) . . ?
O3 C17 C16 118.9(5) . . ?
C16 C17 C12 118.5(6) . . ?
O4 C18 O5 118.6(5) . . ?
O4 C18 C19 121.3(5) . . ?
O5 C18 C19 120.1(5) . . ?
C20 C19 C18 120.7(5) . . ?
C20 C19 C24 119.8(5) . . ?
C24 C19 C18 119.5(5) . . ?
C19 C20 H20 120.4 . . ?
C19 C20 C21 119.2(6) . . ?
C21 C20 H20 120.4 . . ?
C20 C21 H21 119.8 . . ?
C22 C21 C20 120.4(6) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 H22 119.7 . . ?
C23 C22 C21 120.6(6) . . ?
C23 C22 H22 119.7 . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 120.0(6) . . ?
C24 C23 H23 120.0 . . ?
C19 C24 C23 120.0(6) . . ?
C19 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
O6 C25 H25A 109.5 . . ?
O6 C25 H25B 109.5 . . ?
O6 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 O8 H8A 109.5 . . ?
O8 C27 H27A 109.5 . . ?
O8 C27 H27B 109.5 . . ?
O8 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 O7 H7A 109.5 . . ?
O7 C26 H26A 109.5 . . ?
O7 C26 H26B 109.5 . . ?
O7 C26 H26C 109.5 . . ?
H26A C26 H26B 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
Dy1 N1 C6 C1 10.3(6) . . . . ?
Dy1 N1 C6 C5 -168.7(4) . . . . ?
Dy1 N1 C9 C8 168.0(4) . . . . ?
Dy1 N1 C9 C10 -8.5(6) . . . . ?
Dy1 N2 N3 C11 6.0(5) . . . . ?
Dy1 N2 C10 C9 2.6(6) . . . . ?
Dy1 O1 C1 C2 -24.2(8) 2_676 . . . ?
Dy1 O1 C1 C2 170.2(4) . . . . ?
Dy1 O1 C1 C6 156.4(3) 2_676 . . . ?
Dy1 O1 C1 C6 -9.1(6) . . . . ?
Dy1 O2 C11 N3 -4.1(7) . . . . ?
Dy1 O2 C11 C12 178.4(3) . . . . ?
Dy1 O4 C18 O5 5.7(6) . . . . ?
Dy1 O4 C18 C19 -173.5(4) . . . . ?
Dy1 O5 C18 O4 -5.9(6) . . . . ?
Dy1 O5 C18 C19 173.4(4) . . . . ?
N1 C9 C10 N2 3.7(7) . . . . ?
N2 N3 C11 O2 -1.6(7) . . . . ?
N2 N3 C11 C12 176.0(4) . . . . ?
N3 N2 C10 C9 177.8(4) . . . . ?
N3 C11 C12 C13 -172.8(5) . . . . ?
N3 C11 C12 C17 6.3(7) . . . . ?
O1 C1 C2 C3 -177.6(5) . . . . ?
O1 C1 C6 N1 -1.1(7) . . . . ?
O1 C1 C6 C5 177.8(4) . . . . ?
O2 C11 C12 C13 4.9(7) . . . . ?
O2 C11 C12 C17 -176.0(5) . . . . ?
O4 C18 C19 C20 9.6(8) . . . . ?
O4 C18 C19 C24 -172.2(6) . . . . ?
O5 C18 C19 C20 -169.6(5) . . . . ?
O5 C18 C19 C24 8.6(8) . . . . ?
C1 C2 C3 C4 0.0(9) . . . . ?
C2 C1 C6 N1 179.5(5) . . . . ?
C2 C1 C6 C5 -1.6(8) . . . . ?
C2 C3 C4 C5 -2.0(9) . . . . ?
C3 C4 C5 C6 2.1(8) . . . . ?
C3 C4 C5 C7 -179.5(5) . . . . ?
C4 C5 C6 N1 178.6(5) . . . . ?
C4 C5 C6 C1 -0.3(8) . . . . ?
C4 C5 C7 C8 179.3(5) . . . . ?
C5 C7 C8 C9 2.1(8) . . . . ?
C6 N1 C9 C8 -2.6(7) . . . . ?
C6 N1 C9 C10 -179.1(4) . . . . ?
C6 C1 C2 C3 1.7(8) . . . . ?
C6 C5 C7 C8 -2.2(8) . . . . ?
C7 C5 C6 N1 0.0(7) . . . . ?
C7 C5 C6 C1 -178.9(5) . . . . ?
C7 C8 C9 N1 0.4(8) . . . . ?
C7 C8 C9 C10 176.6(5) . . . . ?
C8 C9 C10 N2 -172.8(5) . . . . ?
C9 N1 C6 C1 -178.7(4) . . . . ?
C9 N1 C6 C5 2.4(7) . . . . ?
C10 N2 N3 C11 -169.3(5) . . . . ?
C11 C12 C13 C14 179.6(5) . . . . ?
C11 C12 C17 O3 0.8(8) . . . . ?
C11 C12 C17 C16 -179.8(5) . . . . ?
C12 C13 C14 C15 -0.2(8) . . . . ?
C13 C12 C17 O3 179.9(5) . . . . ?
C13 C12 C17 C16 -0.7(8) . . . . ?
C13 C14 C15 C16 0.1(9) . . . . ?
C14 C15 C16 C17 -0.3(10) . . . . ?
C15 C16 C17 O3 -180.0(6) . . . . ?
C15 C16 C17 C12 0.6(9) . . . . ?
C17 C12 C13 C14 0.5(8) . . . . ?
C18 C19 C20 C21 178.3(5) . . . . ?
C18 C19 C24 C23 -179.6(6) . . . . ?
C19 C20 C21 C22 0.3(10) . . . . ?
C20 C19 C24 C23 -1.4(10) . . . . ?
C20 C21 C22 C23 0.6(11) . . . . ?
C21 C22 C23 C24 -1.9(11) . . . . ?
C22 C23 C24 C19 2.3(11) . . . . ?
C24 C19 C20 C21 0.1(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form

_vrf_PLAT420_2dy2                
;
PROBLEM: D-H Bond Without Acceptor O8 --H8A . Please Check
RESPONSE: The orientation of the hydrogen on -OH is random.

# end Validation Reply Form

;
