# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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_aaaa
_database_code_depnum_ccdc_archive 'CCDC 1982722'
loop_
_audit_author_name
_audit_author_address
'Ye Tao'
;Guangxi Normal University
China
;
_audit_update_record             
;
2021-02-28 deposited with the CCDC.	2021-03-19 downloaded from the CCDC.
;
_audit_creation_date             2021-02-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C78 H72 Dy6 N36 O20, 2(C0.4 H1.2 N O2), 0.4(N)'
_chemical_formula_sum            'C78.80 H74.40 Dy6 N38.40 O24'
_chemical_formula_weight         2918.36
_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'
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                   12.446(4)
_cell_length_b                   13.401(5)
_cell_length_c                   15.377(5)
_cell_angle_alpha                83.756(5)
_cell_angle_beta                 75.623(4)
_cell_angle_gamma                88.170(5)
_cell_volume                     2469.5(15)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9587
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      26.495
_cell_measurement_theta_min      2.426
_shelx_estimated_absorpt_T_max   0.7788
_shelx_estimated_absorpt_T_min   0.4545
_exptl_absorpt_coefficient_mu    4.571
_exptl_absorpt_correction_T_max  0.4603
_exptl_absorpt_correction_T_min  0.3871
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light yellow'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.962
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1404
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0255
_diffrn_reflns_av_unetI/netI     0.0265
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            30325
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.521
_diffrn_reflns_theta_min         1.529
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9216
_reflns_number_total             10172
_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 v8.27A (Bruker, 2012)'
_computing_data_collection       'Bruker SMART APEX II'
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_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  (Sheldrick, 2008)'
_refine_diff_density_max         1.439
_refine_diff_density_min         -1.194
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     703
_refine_ls_number_reflns         10172
_refine_ls_number_restraints     86
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0239
_refine_ls_restrained_S_all      1.091
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0294P)²+5.5339P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0625
_refine_ls_wR_factor_ref         0.0654
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H,H) groups
2. Restrained distances
 N19-C40
 2 with sigma of 0.02
 C40-N19
 1.55 with sigma of 0.02
 C36A-N18
 1.6 with sigma of 0.02
 O12-N19
 1.4 with sigma of 0.02
 N17A-O8 = N17A-O7 = N17A-O6A
 1.34 with sigma of 0.02
 C36-N18 = C37A-N18
 1.6 with sigma of 0.02
3. Restrained planarity
 O7, O8, O6A, N17A
 with sigma of 0.1
4. Rigid bond restraints
 O5, C35
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 O7, O8, N17, N17
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Uiso/Uaniso restraints and constraints
Uanis(N21) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(O12) \\sim Ueq, Uanis(N19)
\\sim Ueq, Uanis(O11) \\sim Ueq, Uanis(O13) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C34) \\sim Ueq, Uanis(C39) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C36A) \\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C37A) \\sim Ueq, Uanis(C37)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C36) = Uanis(C36A)
Uanis(O6) = Uanis(O6A)
Uanis(N17) = Uanis(N17A)
Uanis(C37) = Uanis(C37A)
6. Others
 Sof(O6A)=1-FVAR(1)
 Sof(O6)=FVAR(1)
 Sof(N17A)=1-FVAR(2)
 Sof(N17)=FVAR(2)
 Sof(C36A)=Sof(H36D)=Sof(H36E)=Sof(H36F)=Sof(C37A)=Sof(H37D)=Sof(H37E)=
 Sof(H37F)=1-FVAR(3)
 Sof(C36)=Sof(H36A)=Sof(H36B)=Sof(H36C)=Sof(C37)=Sof(H37A)=Sof(H37B)=Sof(H37C)=
 FVAR(3)
 Fixed Sof: O11(0.8) O12(0.4) O13(0.8) H12A(0.4) H40A(0.4) H40B(0.4) C40(0.4)
 N21(0.2)
 Fixed X: H36D(0.965489) H36E(1.086849) H36F(1.03725) H12A(0.49358)
 H40A(0.42948) H40B(0.39848)
 Fixed Y: H36D(0.60145) H36E(0.55877) H36F(0.597569) H12A(0.589509)
 H40A(0.64845) H40B(0.66471)
 Fixed Z: H36D(0.363891) H36E(0.3467) H36F(0.26487) H12A(0.09556)
 H40A(0.17558) H40B(0.08224)
7.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C23(H23A,H23B)
7.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C12(H12), C13(H13), C14(H14), C15(H15),
 C16(H16), C17(H17), C18(H18), C19(H19), C27(H27), C28(H28), C29(H29), C30(H30),
  C35(H35)
7.c Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C), C34(H34A,H34B,H34C), C39(H39A,H39B,H39C), C36(H36A,H36B,
 H36C), C37(H37A,H37B,H37C), C37A(H37D,H37E,H37F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     heavy
_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 0.77229(2) 0.73979(2) 0.64870(2) 0.02389(5) Uani 1 1 d . . . . .
Dy2 Dy 0.84780(2) 0.96944(2) 0.43459(2) 0.02196(5) Uani 1 1 d . . . . .
Dy3 Dy 0.98460(2) 1.20068(2) 0.23649(2) 0.02437(5) Uani 1 1 d . . . . .
O1 O 0.7801(2) 0.6225(2) 0.77392(19) 0.0341(6) Uani 1 1 d . . . . .
O2 O 0.8984(2) 0.6684(2) 0.85090(19) 0.0355(6) Uani 1 1 d . . . . .
O3 O 0.9784(2) 0.70224(19) 0.65844(18) 0.0304(6) Uani 1 1 d . . . . .
O4 O 0.9095(2) 0.6271(2) 0.5660(2) 0.0410(7) Uani 1 1 d . . . . .
O5 O 0.9849(3) 0.8590(3) 0.3541(2) 0.0500(8) Uani 1 1 d . U . . .
O7 O 0.9931(2) 1.08485(19) 0.35903(17) 0.0283(5) Uani 1 1 d D U . . .
O8 O 1.1080(2) 1.13832(19) 0.44242(18) 0.0304(5) Uani 1 1 d D U . . .
O9 O 1.1197(3) 1.0853(3) 0.1575(2) 0.0445(8) Uani 1 1 d . . . . .
O10 O 1.1910(2) 1.1651(2) 0.24569(18) 0.0317(6) Uani 1 1 d . . . . .
N1 N 0.5734(3) 0.7472(3) 0.7615(2) 0.0327(7) Uani 1 1 d . . . . .
N2 N 0.5082(3) 0.9874(3) 0.6498(2) 0.0370(8) Uani 1 1 d . . . . .
N3 N 0.6587(3) 0.8896(2) 0.6230(2) 0.0290(7) Uani 1 1 d . . . . .
N4 N 0.6789(3) 0.9725(2) 0.5601(2) 0.0290(7) Uani 1 1 d . . . . .
N5 N 0.6298(3) 1.2575(3) 0.4044(2) 0.0339(7) Uani 1 1 d . . . . .
N6 N 0.7495(3) 1.1306(2) 0.4147(2) 0.0299(7) Uani 1 1 d . . . . .
N7 N 0.7990(3) 1.1978(2) 0.3430(2) 0.0290(7) Uani 1 1 d . . . . .
N8 N 0.8516(3) 1.3577(3) 0.2143(2) 0.0348(7) Uani 1 1 d . . . . .
N9 N 0.6692(3) 0.5846(2) 0.6198(2) 0.0313(7) Uani 1 1 d . . . . .
N10 N 0.6738(3) 0.6850(3) 0.3878(2) 0.0345(7) Uani 1 1 d . . . . .
N11 N 0.7329(3) 0.7474(2) 0.4978(2) 0.0291(7) Uani 1 1 d . . . . .
N12 N 0.7445(3) 0.8210(2) 0.4261(2) 0.0290(7) Uani 1 1 d . . . . .
N13 N 0.7942(3) 0.9568(2) 0.1461(2) 0.0323(7) Uani 1 1 d . . . . .
N14 N 0.8220(3) 0.9794(2) 0.2813(2) 0.0297(7) Uani 1 1 d . . . . .
N15 N 0.8766(3) 1.0540(2) 0.2198(2) 0.0287(7) Uani 1 1 d . . . . .
N16 N 0.9544(3) 1.1888(3) 0.0737(2) 0.0346(7) Uani 1 1 d . . . . .
N18 N 1.0851(5) 0.7186(4) 0.3262(4) 0.091(2) Uani 1 1 d D . . . .
C1 C 0.5311(4) 0.6793(3) 0.8325(3) 0.0424(10) Uani 1 1 d . . . . .
H1 H 0.575037 0.624263 0.843420 0.051 Uiso 1 1 calc R U . . .
C2 C 0.4281(4) 0.6862(4) 0.8894(3) 0.0512(12) Uani 1 1 d . . . . .
H2 H 0.402960 0.636798 0.936987 0.061 Uiso 1 1 calc R U . . .
C3 C 0.3626(4) 0.7676(4) 0.8747(4) 0.0581(14) Uani 1 1 d . . . . .
H3 H 0.292219 0.774462 0.912277 0.070 Uiso 1 1 calc R U . . .
C4 C 0.4032(4) 0.8395(4) 0.8028(3) 0.0480(12) Uani 1 1 d . . . . .
H4 H 0.360382 0.895156 0.791125 0.058 Uiso 1 1 calc R U . . .
C5 C 0.5084(3) 0.8269(3) 0.7491(3) 0.0324(8) Uani 1 1 d . . . . .
C6 C 0.5576(3) 0.9022(3) 0.6732(3) 0.0308(8) Uani 1 1 d . . . . .
C7 C 0.5859(3) 1.0278(3) 0.5793(3) 0.0318(8) Uani 1 1 d . . . . .
C8 C 0.5640(3) 1.1260(3) 0.5293(3) 0.0392(10) Uani 1 1 d . . . . .
H8A H 0.496567 1.118257 0.509969 0.047 Uiso 1 1 calc R U . . .
H8B H 0.548507 1.175487 0.572427 0.047 Uiso 1 1 calc R U . . .
C9 C 0.6498(3) 1.1698(3) 0.4486(3) 0.0293(8) Uani 1 1 d . . . . .
C10 C 0.7246(3) 1.2710(3) 0.3396(3) 0.0287(8) Uani 1 1 d . . . . .
C11 C 0.7502(3) 1.3571(3) 0.2718(3) 0.0310(8) Uani 1 1 d . . . . .
C12 C 0.6748(4) 1.4364(4) 0.2700(3) 0.0446(11) Uani 1 1 d . . . . .
H12 H 0.604764 1.433307 0.309660 0.053 Uiso 1 1 calc R U . . .
C13 C 0.7062(5) 1.5191(4) 0.2086(4) 0.0557(13) Uani 1 1 d . . . . .
H13 H 0.658207 1.573488 0.206870 0.067 Uiso 1 1 calc R U . . .
C14 C 0.8100(5) 1.5203(4) 0.1493(4) 0.0565(13) Uani 1 1 d . . . . .
H14 H 0.833150 1.575389 0.107149 0.068 Uiso 1 1 calc R U . . .
C15 C 0.8784(4) 1.4379(4) 0.1541(3) 0.0485(11) Uani 1 1 d . . . . .
H15 H 0.947225 1.438366 0.112954 0.058 Uiso 1 1 calc R U . . .
C16 C 0.6368(4) 0.5040(3) 0.6803(3) 0.0395(10) Uani 1 1 d . . . . .
H16 H 0.642810 0.506597 0.739090 0.047 Uiso 1 1 calc R U . . .
C17 C 0.5948(4) 0.4170(3) 0.6594(3) 0.0449(11) Uani 1 1 d . . . . .
H17 H 0.569916 0.364392 0.703833 0.054 Uiso 1 1 calc R U . . .
C18 C 0.5911(4) 0.4108(3) 0.5721(3) 0.0421(10) Uani 1 1 d . . . . .
H18 H 0.565732 0.352824 0.555717 0.051 Uiso 1 1 calc R U . . .
C19 C 0.6257(4) 0.4922(3) 0.5082(3) 0.0376(9) Uani 1 1 d . . . . .
H19 H 0.625033 0.489153 0.448167 0.045 Uiso 1 1 calc R U . . .
C20 C 0.6614(3) 0.5784(3) 0.5351(3) 0.0301(8) Uani 1 1 d . . . . .
C21 C 0.6900(3) 0.6696(3) 0.4721(3) 0.0299(8) Uani 1 1 d . . . . .
C22 C 0.7090(3) 0.7804(3) 0.3630(3) 0.0287(8) Uani 1 1 d . . . . .
C23 C 0.7004(4) 0.8347(3) 0.2743(3) 0.0360(9) Uani 1 1 d . . . . .
H23A H 0.714089 0.786100 0.230420 0.043 Uiso 1 1 calc R U . . .
H23B H 0.624275 0.857427 0.281128 0.043 Uiso 1 1 calc R U . . .
C24 C 0.7741(3) 0.9231(3) 0.2345(3) 0.0286(8) Uani 1 1 d . . . . .
C25 C 0.8576(3) 1.0378(3) 0.1416(3) 0.0286(8) Uani 1 1 d . . . . .
C26 C 0.9041(3) 1.1054(3) 0.0603(3) 0.0305(8) Uani 1 1 d . . . . .
C27 C 0.8992(4) 1.0832(3) -0.0249(3) 0.0380(9) Uani 1 1 d . . . . .
H27 H 0.863286 1.025723 -0.031592 0.046 Uiso 1 1 calc R U . . .
C28 C 0.9485(5) 1.1480(4) -0.0999(3) 0.0497(12) Uani 1 1 d . . . . .
H28 H 0.948210 1.134123 -0.157765 0.060 Uiso 1 1 calc R U . . .
C29 C 0.9980(5) 1.2335(4) -0.0861(3) 0.0594(14) Uani 1 1 d . . . . .
H29 H 1.029732 1.279444 -0.134861 0.071 Uiso 1 1 calc R U . . .
C30 C 1.0002(4) 1.2508(4) 0.0009(3) 0.0482(12) Uani 1 1 d . . . . .
H30 H 1.035268 1.308175 0.008730 0.058 Uiso 1 1 calc R U . . .
C31 C 0.8274(3) 0.6107(3) 0.8379(3) 0.0325(8) Uani 1 1 d . . . . .
C32 C 0.7969(6) 0.5184(5) 0.9042(4) 0.0719(18) Uani 1 1 d . . . . .
H32A H 0.735581 0.533778 0.952724 0.108 Uiso 1 1 calc R U . . .
H32B H 0.859314 0.497226 0.927958 0.108 Uiso 1 1 calc R U . . .
H32C H 0.776374 0.465596 0.874167 0.108 Uiso 1 1 calc R U . . .
C33 C 0.9888(3) 0.6437(3) 0.5979(3) 0.0348(9) Uani 1 1 d . . . . .
C34 C 1.1000(5) 0.5960(6) 0.5652(5) 0.082(2) Uani 1 1 d . U . . .
H34A H 1.096931 0.554277 0.518872 0.123 Uiso 1 1 calc R U . . .
H34B H 1.119685 0.555795 0.614523 0.123 Uiso 1 1 calc R U . . .
H34C H 1.154563 0.647333 0.541084 0.123 Uiso 1 1 calc R U . . .
C35 C 0.9962(6) 0.7682(4) 0.3519(4) 0.0660(16) Uani 1 1 d . U . . .
H35 H 0.931518 0.730663 0.371683 0.079 Uiso 1 1 calc R U . . .
C38 C 1.1955(3) 1.0961(3) 0.1952(3) 0.0364(9) Uani 1 1 d . . . . .
C39 C 1.2941(6) 1.0291(5) 0.1805(6) 0.087(2) Uani 1 1 d . U . . .
H39A H 1.294145 0.987628 0.235481 0.131 Uiso 1 1 calc R U . . .
H39B H 1.360284 1.068850 0.162370 0.131 Uiso 1 1 calc R U . . .
H39C H 1.291737 0.987346 0.134059 0.131 Uiso 1 1 calc R U . . .
O6 O 0.9322(4) 1.0811(4) 0.5073(3) 0.0580(11) Uani 0.847(5) 1 d . . P A 1
N17 N 1.0109(5) 1.1055(5) 0.4364(4) 0.0403(13) Uani 0.721(10) 1 d . U P A 1
C36 C 1.0981(19) 0.6108(9) 0.3199(16) 0.134(6) Uani 0.71(3) 1 d D U P B 1
H36A H 1.087298 0.576110 0.379363 0.201 Uiso 0.71(3) 1 calc R U P B 1
H36B H 1.171329 0.597036 0.284911 0.201 Uiso 0.71(3) 1 calc R U P B 1
H36C H 1.044234 0.588470 0.291227 0.201 Uiso 0.71(3) 1 calc R U P B 1
C37 C 1.1896(14) 0.7796(14) 0.3177(17) 0.134(6) Uani 0.71(3) 1 d . U P B 1
H37A H 1.168912 0.845190 0.336147 0.200 Uiso 0.71(3) 1 calc R U P B 1
H37B H 1.232173 0.785869 0.256124 0.200 Uiso 0.71(3) 1 calc R U P B 1
H37C H 1.233292 0.746163 0.355633 0.200 Uiso 0.71(3) 1 calc R U P B 1
O6A O 1.000000 1.000000 0.500000 0.0580(11) Uani 0.306(10) 2 d DS . P A 2
N17A N 1.0523(11) 1.0685(10) 0.4218(8) 0.0403(13) Uani 0.279(10) 1 d D . P A 2
C36A C 1.046(4) 0.6075(19) 0.321(4) 0.134(6) Uani 0.29(3) 1 d D U P B 2
H36D H 0.965489 0.601450 0.363891 0.201 Uiso 0.29(3) 1 d . U P B 2
H36E H 1.086849 0.558770 0.346700 0.201 Uiso 0.29(3) 1 d . U P B 2
H36F H 1.037251 0.597569 0.264870 0.201 Uiso 0.29(3) 1 d . U P B 2
C37A C 1.200(2) 0.751(4) 0.267(4) 0.134(6) Uani 0.29(3) 1 d D U P B 2
H37D H 1.196958 0.819877 0.241894 0.200 Uiso 0.29(3) 1 calc R U P B 2
H37E H 1.222111 0.709271 0.218287 0.200 Uiso 0.29(3) 1 calc R U P B 2
H37F H 1.253747 0.744806 0.302494 0.200 Uiso 0.29(3) 1 calc R U P B 2
O11 O 0.5202(17) 0.8541(17) 0.0917(13) 0.298(9) Uani 0.8 1 d . U P C 1
O12 O 0.5201(17) 0.6410(13) 0.0850(12) 0.120(6) Uani 0.4 1 d D U P C 1
O13 O 0.6876(12) 0.7689(11) 0.0254(8) 0.206(5) Uani 0.8 1 d . U P C 1
H12A H 0.493580 0.589509 0.095560 0.309 Uiso 0.4 1 d . U P D 1
H40A H 0.429480 0.648450 0.175580 0.309 Uiso 0.4 1 d . U P E 1
H40B H 0.398480 0.664710 0.082240 0.309 Uiso 0.4 1 d . U P F 1
N19 N 0.5527(11) 0.7473(11) 0.0771(8) 0.178(4) Uani 1 1 d D U . C 1
C40 C 0.452(2) 0.6450(18) 0.1131(18) 0.109(8) Uani 0.4 1 d D U P C 1
N21 N 0.415(3) 0.711(4) 0.124(2) 0.114(12) Uani 0.2 1 d . U P G 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.369(3) . ?
Dy1 O3 2.636(3) . ?
Dy1 O4 2.447(3) . ?
Dy1 O8 2.339(3) 2_776 ?
Dy1 O10 2.308(3) 2_776 ?
Dy1 N1 2.652(3) . ?
Dy1 N3 2.471(3) . ?
Dy1 N9 2.612(3) . ?
Dy1 N11 2.479(3) . ?
Dy2 O5 2.413(3) . ?
Dy2 O7 2.399(3) . ?
Dy2 O8 2.416(3) 2_776 ?
Dy2 N4 2.478(3) . ?
Dy2 N6 2.475(3) . ?
Dy2 N12 2.436(3) . ?
Dy2 N14 2.446(3) . ?
Dy2 O6 2.375(4) . ?
Dy2 O6A 2.4193(7) . ?
Dy3 O2 2.384(3) 2_776 ?
Dy3 O3 2.319(3) 2_776 ?
Dy3 O7 2.329(3) . ?
Dy3 O9 2.433(3) . ?
Dy3 O10 2.633(3) . ?
Dy3 N7 2.477(3) . ?
Dy3 N8 2.680(3) . ?
Dy3 N15 2.487(3) . ?
Dy3 N16 2.644(3) . ?
O1 C31 1.260(5) . ?
O2 C31 1.257(5) . ?
O3 C33 1.262(5) . ?
O4 C33 1.242(5) . ?
O5 C35 1.224(6) . ?
O7 N17 1.323(6) . ?
O7 N17A 1.349(12) . ?
O8 N17 1.326(6) . ?
O8 N17A 1.292(11) . ?
O9 C38 1.244(5) . ?
O10 C38 1.261(5) . ?
N1 C1 1.351(5) . ?
N1 C5 1.345(5) . ?
N2 C6 1.337(5) . ?
N2 C7 1.337(5) . ?
N3 N4 1.377(4) . ?
N3 C6 1.319(5) . ?
N4 C7 1.342(5) . ?
N5 C9 1.341(5) . ?
N5 C10 1.345(5) . ?
N6 N7 1.374(4) . ?
N6 C9 1.335(5) . ?
N7 C10 1.333(5) . ?
N8 C11 1.349(5) . ?
N8 C15 1.333(6) . ?
N9 C16 1.348(5) . ?
N9 C20 1.341(5) . ?
N10 C21 1.353(5) . ?
N10 C22 1.348(5) . ?
N11 N12 1.379(4) . ?
N11 C21 1.327(5) . ?
N12 C22 1.331(5) . ?
N13 C24 1.349(5) . ?
N13 C25 1.348(5) . ?
N14 N15 1.369(4) . ?
N14 C24 1.342(5) . ?
N15 C25 1.323(5) . ?
N16 C26 1.357(5) . ?
N16 C30 1.334(6) . ?
N18 C35 1.270(7) . ?
N18 C36 1.459(12) . ?
N18 C37 1.530(17) . ?
N18 C36A 1.60(2) . ?
N18 C37A 1.547(19) . ?
C1 H1 0.9300 . ?
C1 C2 1.368(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.374(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.389(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.380(6) . ?
C5 C6 1.478(6) . ?
C7 C8 1.502(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.499(6) . ?
C10 C11 1.455(5) . ?
C11 C12 1.398(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.374(7) . ?
C13 H13 0.9300 . ?
C13 C14 1.384(8) . ?
C14 H14 0.9300 . ?
C14 C15 1.379(7) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C16 C17 1.392(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.366(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.389(6) . ?
C19 H19 0.9300 . ?
C19 C20 1.389(5) . ?
C20 C21 1.469(5) . ?
C22 C23 1.501(5) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.501(5) . ?
C25 C26 1.464(5) . ?
C26 C27 1.392(6) . ?
C27 H27 0.9300 . ?
C27 C28 1.387(6) . ?
C28 H28 0.9300 . ?
C28 C29 1.378(7) . ?
C29 H29 0.9300 . ?
C29 C30 1.389(7) . ?
C30 H30 0.9300 . ?
C31 C32 1.508(6) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C34 1.498(6) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35 0.9300 . ?
C38 C39 1.483(7) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
O6 N17 1.292(7) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
O6A N17A 1.457(12) 2_776 ?
O6A N17A 1.457(12) . ?
C36A H36D 1.06(5) . ?
C36A H36E 0.93(5) . ?
C36A H36F 0.92(6) . ?
C37A H37D 0.9600 . ?
C37A H37E 0.9600 . ?
C37A H37F 0.9600 . ?
O11 N19 1.50(2) . ?
O12 H12A 0.758(19) . ?
O12 N19 1.477(15) . ?
O12 C40 0.85(3) . ?
O13 N19 1.689(17) . ?
N19 C40 1.830(14) . ?
C40 H12A 0.92(3) . ?
C40 H40A 0.94(3) . ?
C40 H40B 0.93(3) . ?

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 O3 68.41(9) . . ?
O1 Dy1 O4 83.21(11) . . ?
O1 Dy1 N1 74.78(10) . . ?
O1 Dy1 N3 135.46(10) . . ?
O1 Dy1 N9 77.27(10) . . ?
O1 Dy1 N11 140.40(10) . . ?
O3 Dy1 N1 137.73(10) . . ?
O4 Dy1 O3 50.57(9) . . ?
O4 Dy1 N1 143.83(11) . . ?
O4 Dy1 N3 140.98(11) . . ?
O4 Dy1 N9 71.38(10) . . ?
O4 Dy1 N11 75.41(11) . . ?
O8 Dy1 O1 135.16(9) 2_776 . ?
O8 Dy1 O3 69.44(9) 2_776 . ?
O8 Dy1 O4 81.79(11) 2_776 . ?
O8 Dy1 N1 133.68(10) 2_776 . ?
O8 Dy1 N3 72.70(10) 2_776 . ?
O8 Dy1 N9 135.16(10) 2_776 . ?
O8 Dy1 N11 74.47(10) 2_776 . ?
O10 Dy1 O1 75.19(10) 2_776 . ?
O10 Dy1 O3 72.24(9) 2_776 . ?
O10 Dy1 O4 122.82(10) 2_776 . ?
O10 Dy1 O8 78.16(10) 2_776 2_776 ?
O10 Dy1 N1 79.00(10) 2_776 . ?
O10 Dy1 N3 80.63(11) 2_776 . ?
O10 Dy1 N9 146.67(10) 2_776 . ?
O10 Dy1 N11 144.28(10) 2_776 . ?
N3 Dy1 O3 136.90(9) . . ?
N3 Dy1 N1 64.15(10) . . ?
N3 Dy1 N9 107.15(11) . . ?
N3 Dy1 N11 69.67(11) . . ?
N9 Dy1 O3 114.00(9) . . ?
N9 Dy1 N1 75.93(11) . . ?
N11 Dy1 O3 117.40(10) . . ?
N11 Dy1 N1 104.10(11) . . ?
N11 Dy1 N9 64.51(10) . . ?
O5 Dy2 O8 78.60(11) . 2_776 ?
O5 Dy2 N4 143.19(11) . . ?
O5 Dy2 N6 142.30(11) . . ?
O5 Dy2 N12 75.28(12) . . ?
O5 Dy2 N14 73.71(12) . . ?
O5 Dy2 O6A 80.72(9) . . ?
O7 Dy2 O5 78.39(11) . . ?
O7 Dy2 O8 113.39(9) . 2_776 ?
O7 Dy2 N4 136.16(10) . . ?
O7 Dy2 N6 76.00(10) . . ?
O7 Dy2 N12 146.75(10) . . ?
O7 Dy2 N14 80.42(10) . . ?
O7 Dy2 O6A 58.53(6) . . ?
O8 Dy2 N4 75.35(10) 2_776 . ?
O8 Dy2 N6 137.35(10) 2_776 . ?
O8 Dy2 N12 80.89(10) 2_776 . ?
O8 Dy2 N14 145.77(10) 2_776 . ?
O8 Dy2 O6A 56.50(6) 2_776 . ?
N6 Dy2 N4 71.46(11) . . ?
N12 Dy2 N4 75.28(11) . . ?
N12 Dy2 N6 114.72(11) . . ?
N12 Dy2 N14 72.99(11) . . ?
N14 Dy2 N4 117.34(11) . . ?
N14 Dy2 N6 75.10(11) . . ?
O6 Dy2 O5 110.49(15) . . ?
O6 Dy2 O7 55.22(12) . . ?
O6 Dy2 O8 77.03(13) . 2_776 ?
O6 Dy2 N4 88.50(13) . . ?
O6 Dy2 N6 76.09(14) . . ?
O6 Dy2 N12 155.33(13) . . ?
O6 Dy2 N14 131.59(13) . . ?
O6A Dy2 N4 105.23(8) . . ?
O6A Dy2 N6 108.02(8) . . ?
O6A Dy2 N12 134.44(8) . . ?
O6A Dy2 N14 135.22(8) . . ?
O2 Dy3 O9 86.21(11) 2_776 . ?
O2 Dy3 O10 70.19(9) 2_776 . ?
O2 Dy3 N7 133.75(10) 2_776 . ?
O2 Dy3 N8 73.64(11) 2_776 . ?
O2 Dy3 N15 141.40(10) 2_776 . ?
O2 Dy3 N16 78.35(10) 2_776 . ?
O3 Dy3 O2 75.14(10) 2_776 2_776 ?
O3 Dy3 O7 75.99(10) 2_776 . ?
O3 Dy3 O9 122.84(10) 2_776 . ?
O3 Dy3 O10 72.13(9) 2_776 . ?
O3 Dy3 N7 80.78(10) 2_776 . ?
O3 Dy3 N8 80.70(10) 2_776 . ?
O3 Dy3 N15 143.32(10) 2_776 . ?
O3 Dy3 N16 149.09(10) 2_776 . ?
O7 Dy3 O2 135.12(9) . 2_776 ?
O7 Dy3 O9 81.43(11) . . ?
O7 Dy3 O10 68.63(9) . . ?
O7 Dy3 N7 72.94(10) . . ?
O7 Dy3 N8 133.40(10) . . ?
O7 Dy3 N15 75.11(10) . . ?
O7 Dy3 N16 134.86(10) . . ?
O9 Dy3 O10 50.73(9) . . ?
O9 Dy3 N7 139.62(11) . . ?
O9 Dy3 N8 144.23(11) . . ?
O9 Dy3 N15 74.15(11) . . ?
O9 Dy3 N16 70.26(11) . . ?
O10 Dy3 N8 139.06(10) . . ?
O10 Dy3 N16 113.13(10) . . ?
N7 Dy3 O10 137.07(10) . . ?
N7 Dy3 N8 63.80(10) . . ?
N7 Dy3 N15 69.48(11) . . ?
N7 Dy3 N16 107.29(11) . . ?
N15 Dy3 O10 116.49(10) . . ?
N15 Dy3 N8 103.66(11) . . ?
N15 Dy3 N16 63.92(10) . . ?
N16 Dy3 N8 76.80(11) . . ?
C31 O1 Dy1 139.7(3) . . ?
C31 O2 Dy3 136.2(3) . 2_776 ?
Dy3 O3 Dy1 107.58(10) 2_776 . ?
C33 O3 Dy1 89.5(2) . . ?
C33 O3 Dy3 162.8(3) . 2_776 ?
C33 O4 Dy1 99.0(2) . . ?
C35 O5 Dy2 135.9(4) . . ?
Dy3 O7 Dy2 124.35(11) . . ?
N17 O7 Dy2 92.0(3) . . ?
N17 O7 Dy3 126.1(3) . . ?
N17A O7 Dy2 95.4(5) . . ?
N17A O7 Dy3 138.8(5) . . ?
Dy1 O8 Dy2 124.06(11) 2_776 2_776 ?
N17 O8 Dy1 131.0(3) . 2_776 ?
N17 O8 Dy2 104.7(3) . 2_776 ?
C38 O9 Dy3 98.8(2) . . ?
Dy1 O10 Dy3 108.04(10) 2_776 . ?
C38 O10 Dy1 161.4(3) . 2_776 ?
C38 O10 Dy3 88.8(2) . . ?
C1 N1 Dy1 126.3(3) . . ?
C5 N1 Dy1 117.7(3) . . ?
C5 N1 C1 116.0(4) . . ?
C7 N2 C6 101.7(3) . . ?
N4 N3 Dy1 132.0(2) . . ?
C6 N3 Dy1 122.2(3) . . ?
C6 N3 N4 105.7(3) . . ?
N3 N4 Dy2 117.4(2) . . ?
C7 N4 Dy2 137.0(3) . . ?
C7 N4 N3 104.6(3) . . ?
C9 N5 C10 101.5(3) . . ?
N7 N6 Dy2 116.8(2) . . ?
C9 N6 Dy2 137.3(3) . . ?
C9 N6 N7 105.3(3) . . ?
N6 N7 Dy3 132.1(2) . . ?
C10 N7 Dy3 122.5(3) . . ?
C10 N7 N6 105.4(3) . . ?
C11 N8 Dy3 116.9(3) . . ?
C15 N8 Dy3 125.8(3) . . ?
C15 N8 C11 117.2(4) . . ?
C16 N9 Dy1 124.9(3) . . ?
C20 N9 Dy1 117.3(2) . . ?
C20 N9 C16 117.2(3) . . ?
C22 N10 C21 101.2(3) . . ?
N12 N11 Dy1 133.8(2) . . ?
C21 N11 Dy1 121.2(3) . . ?
C21 N11 N12 105.0(3) . . ?
N11 N12 Dy2 116.1(2) . . ?
C22 N12 Dy2 136.9(3) . . ?
C22 N12 N11 105.8(3) . . ?
C25 N13 C24 101.6(3) . . ?
N15 N14 Dy2 117.5(2) . . ?
C24 N14 Dy2 136.5(3) . . ?
C24 N14 N15 105.7(3) . . ?
N14 N15 Dy3 131.9(2) . . ?
C25 N15 Dy3 122.3(2) . . ?
C25 N15 N14 105.7(3) . . ?
C26 N16 Dy3 117.5(2) . . ?
C30 N16 Dy3 124.3(3) . . ?
C30 N16 C26 117.3(4) . . ?
C35 N18 C36 128.3(11) . . ?
C35 N18 C37 113.0(10) . . ?
C35 N18 C36A 105.4(17) . . ?
C35 N18 C37A 131.4(19) . . ?
C36 N18 C37 117.7(10) . . ?
C37A N18 C36A 117(3) . . ?
N1 C1 H1 117.8 . . ?
N1 C1 C2 124.5(4) . . ?
C2 C1 H1 117.8 . . ?
C1 C2 H2 120.8 . . ?
C1 C2 C3 118.5(4) . . ?
C3 C2 H2 120.8 . . ?
C2 C3 H3 120.5 . . ?
C2 C3 C4 118.9(4) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 H4 120.7 . . ?
C5 C4 C3 118.7(4) . . ?
C5 C4 H4 120.7 . . ?
N1 C5 C4 123.4(4) . . ?
N1 C5 C6 115.3(3) . . ?
C4 C5 C6 121.3(4) . . ?
N2 C6 C5 125.2(4) . . ?
N3 C6 N2 114.2(4) . . ?
N3 C6 C5 120.6(3) . . ?
N2 C7 N4 113.8(4) . . ?
N2 C7 C8 120.1(3) . . ?
N4 C7 C8 126.1(3) . . ?
C7 C8 H8A 107.3 . . ?
C7 C8 H8B 107.3 . . ?
H8A C8 H8B 106.9 . . ?
C9 C8 C7 120.1(3) . . ?
C9 C8 H8A 107.3 . . ?
C9 C8 H8B 107.3 . . ?
N5 C9 C8 119.7(3) . . ?
N6 C9 N5 113.9(3) . . ?
N6 C9 C8 126.3(3) . . ?
N5 C10 C11 125.6(3) . . ?
N7 C10 N5 113.8(3) . . ?
N7 C10 C11 120.6(3) . . ?
N8 C11 C10 116.3(3) . . ?
N8 C11 C12 122.6(4) . . ?
C12 C11 C10 121.0(4) . . ?
C11 C12 H12 120.7 . . ?
C13 C12 C11 118.6(5) . . ?
C13 C12 H12 120.7 . . ?
C12 C13 H13 120.4 . . ?
C12 C13 C14 119.2(4) . . ?
C14 C13 H13 120.4 . . ?
C13 C14 H14 120.8 . . ?
C15 C14 C13 118.5(5) . . ?
C15 C14 H14 120.8 . . ?
N8 C15 C14 123.8(5) . . ?
N8 C15 H15 118.1 . . ?
C14 C15 H15 118.1 . . ?
N9 C16 H16 118.3 . . ?
N9 C16 C17 123.5(4) . . ?
C17 C16 H16 118.3 . . ?
C16 C17 H17 120.8 . . ?
C18 C17 C16 118.5(4) . . ?
C18 C17 H17 120.8 . . ?
C17 C18 H18 120.4 . . ?
C17 C18 C19 119.1(4) . . ?
C19 C18 H18 120.4 . . ?
C18 C19 H19 120.5 . . ?
C18 C19 C20 119.0(4) . . ?
C20 C19 H19 120.5 . . ?
N9 C20 C19 122.6(4) . . ?
N9 C20 C21 116.1(3) . . ?
C19 C20 C21 121.3(4) . . ?
N10 C21 C20 126.1(3) . . ?
N11 C21 N10 114.2(3) . . ?
N11 C21 C20 119.6(4) . . ?
N10 C22 C23 121.3(3) . . ?
N12 C22 N10 113.7(3) . . ?
N12 C22 C23 124.9(3) . . ?
C22 C23 H23A 107.5 . . ?
C22 C23 H23B 107.5 . . ?
H23A C23 H23B 107.0 . . ?
C24 C23 C22 119.2(3) . . ?
C24 C23 H23A 107.5 . . ?
C24 C23 H23B 107.5 . . ?
N13 C24 C23 121.8(3) . . ?
N14 C24 N13 113.0(3) . . ?
N14 C24 C23 125.2(3) . . ?
N13 C25 C26 126.0(3) . . ?
N15 C25 N13 114.0(3) . . ?
N15 C25 C26 120.0(3) . . ?
N16 C26 C25 115.7(3) . . ?
N16 C26 C27 122.7(4) . . ?
C27 C26 C25 121.6(4) . . ?
C26 C27 H27 120.5 . . ?
C28 C27 C26 119.1(4) . . ?
C28 C27 H27 120.5 . . ?
C27 C28 H28 120.9 . . ?
C29 C28 C27 118.2(4) . . ?
C29 C28 H28 120.9 . . ?
C28 C29 H29 120.2 . . ?
C28 C29 C30 119.7(4) . . ?
C30 C29 H29 120.2 . . ?
N16 C30 C29 123.1(4) . . ?
N16 C30 H30 118.5 . . ?
C29 C30 H30 118.5 . . ?
O1 C31 C32 116.9(4) . . ?
O2 C31 O1 125.8(4) . . ?
O2 C31 C32 117.2(4) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O3 C33 Dy1 64.8(2) . . ?
O3 C33 C34 117.9(4) . . ?
O4 C33 Dy1 56.1(2) . . ?
O4 C33 O3 120.8(4) . . ?
O4 C33 C34 121.3(4) . . ?
C34 C33 Dy1 176.1(4) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O5 C35 N18 128.3(7) . . ?
O5 C35 H35 115.8 . . ?
N18 C35 H35 115.8 . . ?
O9 C38 Dy3 56.1(2) . . ?
O9 C38 O10 120.7(4) . . ?
O9 C38 C39 120.6(4) . . ?
O10 C38 Dy3 65.4(2) . . ?
O10 C38 C39 118.7(4) . . ?
C39 C38 Dy3 171.5(4) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N17 O6 Dy2 93.9(3) . . ?
O7 N17 Dy2 59.6(2) . . ?
O7 N17 O8 122.2(5) . . ?
O8 N17 Dy2 158.5(4) . . ?
O6 N17 Dy2 58.5(3) . . ?
O6 N17 O7 115.6(4) . . ?
O6 N17 O8 121.7(5) . . ?
N18 C36 H36A 109.5 . . ?
N18 C36 H36B 109.5 . . ?
N18 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N18 C37 H37A 109.5 . . ?
N18 C37 H37B 109.5 . . ?
N18 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Dy2 O6A Dy2 180.0 2_776 . ?
N17A O6A Dy2 88.2(4) 2_776 . ?
N17A O6A Dy2 91.8(4) . . ?
N17A O6A N17A 180.0 . 2_776 ?
Dy2 N17A Dy2 117.9(4) 2_776 . ?
O7 N17A Dy2 56.6(4) . . ?
O7 N17A Dy2 173.6(8) . 2_776 ?
O7 N17A O6A 114.1(8) . . ?
O8 N17A Dy2 60.1(5) . 2_776 ?
O8 N17A Dy2 151.2(9) . . ?
O8 N17A O7 122.8(10) . . ?
O8 N17A O6A 112.6(8) . . ?
O6A N17A Dy2 57.7(4) . . ?
N18 C36A H36D 105(3) . . ?
N18 C36A H36E 112(4) . . ?
N18 C36A H36F 113(4) . . ?
H36D C36A H36E 104(5) . . ?
H36D C36A H36F 105(4) . . ?
H36E C36A H36F 116(4) . . ?
N18 C37A H37D 109.5 . . ?
N18 C37A H37E 109.5 . . ?
N18 C37A H37F 109.5 . . ?
H37D C37A H37E 109.5 . . ?
H37D C37A H37F 109.5 . . ?
H37E C37A H37F 109.5 . . ?
N19 O12 H12A 169(2) . . ?
C40 O12 H12A 69(3) . . ?
C40 O12 N19 100(2) . . ?
O11 N19 O13 97.1(13) . . ?
O11 N19 C40 121.7(16) . . ?
O12 N19 O11 148.9(16) . . ?
O12 N19 O13 114.0(13) . . ?
O12 N19 C40 27.2(11) . . ?
O13 N19 C40 141.2(16) . . ?
O12 C40 H12A 51(3) . . ?
O12 C40 H40A 123(3) . . ?
O12 C40 H40B 121(3) . . ?
O12 C40 N19 52.6(13) . . ?
H12A C40 H40A 115(3) . . ?
H12A C40 H40B 116(3) . . ?
H40A C40 H40B 114(3) . . ?
N19 C40 H12A 103(2) . . ?
N19 C40 H40A 102.0(17) . . ?
N19 C40 H40B 102.7(15) . . ?

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 C31 O2 -3.2(7) . . . . ?
Dy1 O1 C31 C32 177.5(4) . . . . ?
Dy1 O3 C33 O4 -2.4(4) . . . . ?
Dy1 O3 C33 C34 176.8(5) . . . . ?
Dy1 O4 C33 O3 2.6(5) . . . . ?
Dy1 O4 C33 C34 -176.6(5) . . . . ?
Dy1 O8 N17 Dy2 132.7(9) 2_776 . . . ?
Dy1 O8 N17 O7 44.5(7) 2_776 . . . ?
Dy1 O8 N17 O6 -143.5(4) 2_776 . . . ?
Dy1 O8 N17A Dy2 -124.6(13) 2_776 . . . ?
Dy1 O8 N17A Dy2 141.1(6) 2_776 . . 2_776 ?
Dy1 O8 N17A O7 -45.5(16) 2_776 . . . ?
Dy1 O8 N17A O6A 171.9(4) 2_776 . . . ?
Dy1 O10 C38 Dy3 155.9(9) 2_776 . . . ?
Dy1 O10 C38 O9 165.2(6) 2_776 . . . ?
Dy1 O10 C38 C39 -15.7(12) 2_776 . . . ?
Dy1 N1 C1 C2 179.7(4) . . . . ?
Dy1 N1 C5 C4 179.8(4) . . . . ?
Dy1 N1 C5 C6 -0.7(5) . . . . ?
Dy1 N3 N4 Dy2 9.0(4) . . . . ?
Dy1 N3 N4 C7 179.3(3) . . . . ?
Dy1 N3 C6 N2 -179.9(3) . . . . ?
Dy1 N3 C6 C5 1.2(5) . . . . ?
Dy1 N9 C16 C17 -171.5(3) . . . . ?
Dy1 N9 C20 C19 168.8(3) . . . . ?
Dy1 N9 C20 C21 -12.8(4) . . . . ?
Dy1 N11 N12 Dy2 10.2(4) . . . . ?
Dy1 N11 N12 C22 -180.0(3) . . . . ?
Dy1 N11 C21 N10 -179.7(3) . . . . ?
Dy1 N11 C21 C20 2.3(5) . . . . ?
Dy2 O5 C35 N18 -158.1(5) . . . . ?
Dy2 O7 N17 O8 154.9(5) . . . . ?
Dy2 O7 N17 O6 -17.6(5) . . . . ?
Dy2 O7 N17A O8 -145.5(11) . . . . ?
Dy2 O7 N17A O6A -3.4(9) . . . . ?
Dy2 O8 N17 Dy2 -41.6(11) 2_776 . . . ?
Dy2 O8 N17 O7 -129.7(5) 2_776 . . . ?
Dy2 O8 N17 O6 42.3(6) 2_776 . . . ?
Dy2 O8 N17A Dy2 94.3(15) 2_776 . . . ?
Dy2 O8 N17A O7 173.4(11) 2_776 . . . ?
Dy2 O8 N17A O6A 30.7(9) 2_776 . . . ?
Dy2 N4 C7 N2 167.8(3) . . . . ?
Dy2 N4 C7 C8 -11.6(7) . . . . ?
Dy2 N6 N7 Dy3 -9.4(4) . . . . ?
Dy2 N6 N7 C10 171.9(2) . . . . ?
Dy2 N6 C9 N5 -169.7(3) . . . . ?
Dy2 N6 C9 C8 11.4(7) . . . . ?
Dy2 N12 C22 N10 167.0(3) . . . . ?
Dy2 N12 C22 C23 -16.8(6) . . . . ?
Dy2 N14 N15 Dy3 -8.6(4) . . . . ?
Dy2 N14 N15 C25 174.4(2) . . . . ?
Dy2 N14 C24 N13 -172.5(3) . . . . ?
Dy2 N14 C24 C23 10.5(6) . . . . ?
Dy2 O6 N17 O7 17.8(5) . . . . ?
Dy2 O6 N17 O8 -154.7(5) . . . . ?
Dy2 O6A N17A Dy2 180.000(1) 2_776 . . . ?
Dy2 O6A N17A Dy2 180.000(2) . . . 2_776 ?
Dy2 O6A N17A O7 -176.7(9) 2_776 . . . ?
Dy2 O6A N17A O7 3.3(9) . . . . ?
Dy2 O6A N17A O8 -30.7(9) 2_776 . . . ?
Dy2 O6A N17A O8 149.3(9) . . . . ?
Dy3 O2 C31 O1 -16.7(7) 2_776 . . . ?
Dy3 O2 C31 C32 162.6(4) 2_776 . . . ?
Dy3 O3 C33 Dy1 -173.9(9) 2_776 . . . ?
Dy3 O3 C33 O4 -176.3(6) 2_776 . . . ?
Dy3 O3 C33 C34 2.9(12) 2_776 . . . ?
Dy3 O7 N17 Dy2 136.4(3) . . . . ?
Dy3 O7 N17 O8 -68.7(6) . . . . ?
Dy3 O7 N17 O6 118.8(5) . . . . ?
Dy3 O7 N17A Dy2 165.6(8) . . . . ?
Dy3 O7 N17A O8 20.1(18) . . . . ?
Dy3 O7 N17A O6A 162.2(3) . . . . ?
Dy3 O9 C38 O10 -10.2(5) . . . . ?
Dy3 O9 C38 C39 170.8(5) . . . . ?
Dy3 O10 C38 O9 9.3(4) . . . . ?
Dy3 O10 C38 C39 -171.6(5) . . . . ?
Dy3 N7 C10 N5 -178.3(2) . . . . ?
Dy3 N7 C10 C11 0.0(5) . . . . ?
Dy3 N8 C11 C10 0.1(4) . . . . ?
Dy3 N8 C11 C12 177.1(3) . . . . ?
Dy3 N8 C15 C14 -175.2(4) . . . . ?
Dy3 N15 C25 N13 -177.7(2) . . . . ?
Dy3 N15 C25 C26 2.3(5) . . . . ?
Dy3 N16 C26 C25 8.7(4) . . . . ?
Dy3 N16 C26 C27 -169.7(3) . . . . ?
Dy3 N16 C30 C29 169.2(4) . . . . ?
N1 C1 C2 C3 -0.6(8) . . . . ?
N1 C5 C6 N2 -179.1(4) . . . . ?
N1 C5 C6 N3 -0.2(6) . . . . ?
N2 C7 C8 C9 -178.2(4) . . . . ?
N3 N4 C7 N2 0.5(5) . . . . ?
N3 N4 C7 C8 -179.0(4) . . . . ?
N4 N3 C6 N2 -0.6(5) . . . . ?
N4 N3 C6 C5 -179.5(4) . . . . ?
N4 C7 C8 C9 1.2(7) . . . . ?
N5 C10 C11 N8 178.1(4) . . . . ?
N5 C10 C11 C12 1.0(6) . . . . ?
N6 N7 C10 N5 0.5(4) . . . . ?
N6 N7 C10 C11 178.8(3) . . . . ?
N7 N6 C9 N5 0.3(5) . . . . ?
N7 N6 C9 C8 -178.6(4) . . . . ?
N7 C10 C11 N8 0.0(5) . . . . ?
N7 C10 C11 C12 -177.1(4) . . . . ?
N8 C11 C12 C13 -1.4(7) . . . . ?
N9 C16 C17 C18 3.3(7) . . . . ?
N9 C20 C21 N10 -170.4(4) . . . . ?
N9 C20 C21 N11 7.5(5) . . . . ?
N10 C22 C23 C24 -158.4(4) . . . . ?
N11 N12 C22 N10 0.4(5) . . . . ?
N11 N12 C22 C23 176.6(4) . . . . ?
N12 N11 C21 N10 1.1(5) . . . . ?
N12 N11 C21 C20 -177.0(3) . . . . ?
N12 C22 C23 C24 25.7(6) . . . . ?
N13 C25 C26 N16 172.5(4) . . . . ?
N13 C25 C26 C27 -9.1(6) . . . . ?
N14 N15 C25 N13 -0.4(4) . . . . ?
N14 N15 C25 C26 179.6(3) . . . . ?
N15 N14 C24 N13 -0.1(4) . . . . ?
N15 N14 C24 C23 -177.0(4) . . . . ?
N15 C25 C26 N16 -7.5(5) . . . . ?
N15 C25 C26 C27 170.9(4) . . . . ?
N16 C26 C27 C28 0.8(7) . . . . ?
C1 N1 C5 C4 -1.8(6) . . . . ?
C1 N1 C5 C6 177.7(4) . . . . ?
C1 C2 C3 C4 0.1(9) . . . . ?
C2 C3 C4 C5 -0.4(9) . . . . ?
C3 C4 C5 N1 1.3(8) . . . . ?
C3 C4 C5 C6 -178.1(5) . . . . ?
C4 C5 C6 N2 0.4(7) . . . . ?
C4 C5 C6 N3 179.3(4) . . . . ?
C5 N1 C1 C2 1.4(7) . . . . ?
C6 N2 C7 N4 -0.8(5) . . . . ?
C6 N2 C7 C8 178.7(4) . . . . ?
C6 N3 N4 Dy2 -170.3(3) . . . . ?
C6 N3 N4 C7 0.1(4) . . . . ?
C7 N2 C6 N3 0.8(5) . . . . ?
C7 N2 C6 C5 179.7(4) . . . . ?
C7 C8 C9 N5 -179.9(4) . . . . ?
C7 C8 C9 N6 -1.1(7) . . . . ?
C9 N5 C10 N7 -0.4(4) . . . . ?
C9 N5 C10 C11 -178.6(4) . . . . ?
C9 N6 N7 Dy3 178.2(3) . . . . ?
C9 N6 N7 C10 -0.5(4) . . . . ?
C10 N5 C9 N6 0.0(5) . . . . ?
C10 N5 C9 C8 179.0(4) . . . . ?
C10 C11 C12 C13 175.5(4) . . . . ?
C11 N8 C15 C14 1.8(7) . . . . ?
C11 C12 C13 C14 1.4(8) . . . . ?
C12 C13 C14 C15 0.1(9) . . . . ?
C13 C14 C15 N8 -1.8(9) . . . . ?
C15 N8 C11 C10 -177.3(4) . . . . ?
C15 N8 C11 C12 -0.2(6) . . . . ?
C16 N9 C20 C19 -2.4(6) . . . . ?
C16 N9 C20 C21 176.0(4) . . . . ?
C16 C17 C18 C19 -2.1(7) . . . . ?
C17 C18 C19 C20 -1.1(7) . . . . ?
C18 C19 C20 N9 3.5(6) . . . . ?
C18 C19 C20 C21 -174.8(4) . . . . ?
C19 C20 C21 N10 8.0(6) . . . . ?
C19 C20 C21 N11 -174.1(4) . . . . ?
C20 N9 C16 C17 -1.0(6) . . . . ?
C21 N10 C22 N12 0.2(5) . . . . ?
C21 N10 C22 C23 -176.1(4) . . . . ?
C21 N11 N12 Dy2 -170.7(2) . . . . ?
C21 N11 N12 C22 -0.9(4) . . . . ?
C22 N10 C21 N11 -0.8(5) . . . . ?
C22 N10 C21 C20 177.1(4) . . . . ?
C22 C23 C24 N13 160.6(4) . . . . ?
C22 C23 C24 N14 -22.7(6) . . . . ?
C24 N13 C25 N15 0.4(4) . . . . ?
C24 N13 C25 C26 -179.7(4) . . . . ?
C24 N14 N15 Dy3 177.2(3) . . . . ?
C24 N14 N15 C25 0.3(4) . . . . ?
C25 N13 C24 N14 -0.2(4) . . . . ?
C25 N13 C24 C23 176.9(4) . . . . ?
C25 C26 C27 C28 -177.5(4) . . . . ?
C26 N16 C30 C29 0.3(8) . . . . ?
C26 C27 C28 C29 -1.7(8) . . . . ?
C27 C28 C29 C30 2.0(9) . . . . ?
C28 C29 C30 N16 -1.3(9) . . . . ?
C30 N16 C26 C25 178.3(4) . . . . ?
C30 N16 C26 C27 0.0(6) . . . . ?
C36 N18 C35 O5 -177.1(14) . . . . ?
C37 N18 C35 O5 14.7(14) . . . . ?
C36A N18 C35 O5 -170(3) . . . . ?
C37A N18 C35 O5 -19(3) . . . . ?
O11 N19 C40 O12 177(2) . . . . ?
O13 N19 C40 O12 -2(3) . . . . ?
C40 O12 N19 O11 -5(4) . . . . ?
C40 O12 N19 O13 178(2) . . . . ?

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

data_20210315-dy6-1
_database_code_depnum_ccdc_archive 'CCDC 2070874'
loop_
_audit_author_name
_audit_author_address
'Ye Tao'
;Guangxi Normal University
China
;
_audit_update_record             
;
2021-03-16 deposited with the CCDC.	2021-03-19 downloaded from the CCDC.
;
_audit_creation_date             2021-03-15
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C78 H72 Dy6 N36 O20, 2(N2.5 O)'
_chemical_formula_sum            'C78 H72 Dy6 N41 O22'
_chemical_formula_weight         2910.76
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N Dy'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      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                   12.4747(3)
_cell_length_b                   13.3828(3)
_cell_length_c                   15.3803(4)
_cell_angle_alpha                83.784(2)
_cell_angle_beta                 75.381(2)
_cell_angle_gamma                88.137(2)
_cell_volume                     2469.92(11)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    24447
_cell_measurement_temperature    294.32(19)
_cell_measurement_theta_max      31.4370
_cell_measurement_theta_min      2.2560
_shelx_estimated_absorpt_T_max   0.875
_shelx_estimated_absorpt_T_min   0.804
_exptl_absorpt_coefficient_mu    4.569
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74096
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.80a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light yellow'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.957
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1399
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0427
_diffrn_reflns_av_unetI/netI     0.0496
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.850
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            46607
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.850
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.940
_diffrn_reflns_theta_min         2.272
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      294.32(19)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.850
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     51.00  85.00   0.50   50.00    --   13.79  77.00  60.00   68
  2  ω     -1.00  39.00   0.50   50.00    --   13.79  77.00  60.00   80
  3  ω    -67.00   5.00   0.50   50.00    --   13.79 -19.00 120.00  144
  4  ω    -23.00  27.00   0.50   50.00    --  -12.86 -99.00   0.00  100
  5  ω     -2.00  57.00   0.50   50.00    --   13.79-106.00 -79.00  118
  6  ω    -23.00  27.00   0.50   50.00    --  -12.86 -99.00-120.00  100
  7  ω    -22.00  53.00   0.50   50.00    --   13.79 -99.00-120.00  150
  8  ω    -64.00  21.00   0.50   50.00    --   13.79 -37.00 -30.00  170
  9  ω    -67.00   5.00   0.50   50.00    --   13.79 -19.00-150.00  144
 10  ω    -87.00  10.00   0.50   50.00    --  -12.86 -57.00  60.00  194
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0240214000
_diffrn_orient_matrix_UB_12      0.0225063000
_diffrn_orient_matrix_UB_13      0.0401644000
_diffrn_orient_matrix_UB_21      0.0145680000
_diffrn_orient_matrix_UB_22      0.0482080000
_diffrn_orient_matrix_UB_23      -0.0234003000
_diffrn_orient_matrix_UB_31      -0.0516116000
_diffrn_orient_matrix_UB_32      0.0034588000
_diffrn_orient_matrix_UB_33      -0.0116337000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10898
_reflns_number_total             14501
_reflns_odcompleteness_completeness 99.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.664
_refine_diff_density_min         -1.042
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     689
_refine_ls_number_reflns         14501
_refine_ls_number_restraints     53
_refine_ls_R_factor_all          0.0580
_refine_ls_R_factor_gt           0.0368
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0454P)²+0.9922P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0865
_refine_ls_wR_factor_ref         0.0948
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O7-N19
 1.39 with sigma of 0.02
 N1A-O12
 1.5 with sigma of 0.02
 N20-N1A
 1.3 with sigma of 0.02
 O9A-N19
 1.39 with sigma of 0.02
3. Rigid bond restraints
 O10, C38
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
Uanis(O11) \\sim Ueq, Uanis(N1B) \\sim Ueq, Uanis(O12) \\sim Ueq, Uanis(N1A)
\\sim Ueq, Uanis(N20) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(N17) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C40) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(N18) = Uanis(N19)
Uanis(O9) = Uanis(O9A)
Uanis(C39) = Uanis(C39A)
Uanis(N17) = Uanis(N17A)
Uanis(C40) = Uanis(C40A)
5. Others
 Sof(O9A)=Sof(N19)=1-FVAR(1)
 Sof(O9)=Sof(N18)=FVAR(1)
 Sof(H38A)=Sof(N17A)=Sof(C39A)=Sof(H39D)=Sof(H39E)=Sof(H39F)=1-FVAR(2)
 Sof(H38)=Sof(N17)=Sof(C39)=Sof(H39A)=Sof(H39B)=Sof(H39C)=FVAR(2)
 Sof(C40A)=Sof(H40D)=Sof(H40E)=Sof(H40F)=1-FVAR(3)
 Sof(C40)=Sof(H40A)=Sof(H40B)=Sof(H40C)=FVAR(3)
 Fixed Sof: O11(0.5) O12(0.5) N1B(0.5)
 Fixed X: O11(0.00586) O12(-0.013261) N1B(-0.08372)
 Fixed Y: O11(0.34792) O12(0.128821) N1B(0.234579)
 Fixed Z: O11(0.10476) O12(0.095181) N1B(0.119781)
6.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C23(H23A,H23B)
6.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C12(H12), C13(H13), C14(H14), C15(H15),
 C16(H16), C17(H17), C18(H18), C19(H19), C27(H27), C28(H28), C29(H29), C30(H30),
  C38(H38), C38(H38A)
6.c Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C), C34(H34A,H34B,H34C), C36(H36A,H36B,H36C), C39(H39A,H39B,
 H39C), C40(H40A,H40B,H40C), C39A(H39D,H39E,H39F), C40A(H40D,H40E,H40F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.48471(2) 0.70048(2) 0.23700(2) 0.02991(6) Uani 1 1 d . . . . .
Dy2 Dy 0.34925(2) 0.46854(2) 0.43503(2) 0.02795(6) Uani 1 1 d . . . . .
Dy3 Dy 0.72768(2) 0.76079(2) 0.35100(2) 0.02940(6) Uani 1 1 d . . . . .
O1 O 0.7199(3) 0.8772(2) 0.2255(2) 0.0390(7) Uani 1 1 d . . . . .
O2 O 0.6009(3) 0.8313(2) 0.1498(2) 0.0393(7) Uani 1 1 d . . . . .
O3 O 0.5908(3) 0.8741(3) 0.4333(2) 0.0459(8) Uani 1 1 d . . . . .
O4 O 0.5222(3) 0.7974(2) 0.3422(2) 0.0350(7) Uani 1 1 d . . . . .
O5 O 0.6900(3) 0.6642(2) 0.2466(2) 0.0364(7) Uani 1 1 d . . . . .
O6 O 0.6199(3) 0.5865(3) 0.1565(2) 0.0496(9) Uani 1 1 d . . . . .
O7 O 0.6122(3) 0.6404(2) 0.4423(2) 0.0362(7) Uani 1 1 d D . . . .
O8 O 0.4907(2) 0.5845(2) 0.3578(2) 0.0341(7) Uani 1 1 d . . . . .
O10 O 0.4906(3) 0.3593(3) 0.3570(3) 0.0592(10) Uani 1 1 d . U . . .
N1 N 0.4533(3) 0.6891(3) 0.0741(3) 0.0385(9) Uani 1 1 d . . . . .
N2 N 0.2956(3) 0.4564(3) 0.1462(3) 0.0380(9) Uani 1 1 d . . . . .
N3 N 0.3784(3) 0.5534(3) 0.2203(2) 0.0332(8) Uani 1 1 d . . . . .
N4 N 0.3242(3) 0.4782(3) 0.2813(2) 0.0357(8) Uani 1 1 d . . . . .
N5 N 0.1757(3) 0.1836(3) 0.3881(3) 0.0412(9) Uani 1 1 d . . . . .
N6 N 0.2478(3) 0.3198(3) 0.4257(3) 0.0355(8) Uani 1 1 d . . . . .
N7 N 0.2334(3) 0.2466(3) 0.4977(2) 0.0351(8) Uani 1 1 d . . . . .
N8 N 0.1689(3) 0.0836(3) 0.6204(3) 0.0380(9) Uani 1 1 d . . . . .
N9 N 0.3514(3) 0.8573(3) 0.2157(3) 0.0391(9) Uani 1 1 d . . . . .
N10 N 0.1299(3) 0.7566(3) 0.4055(3) 0.0406(9) Uani 1 1 d . . . . .
N11 N 0.2993(3) 0.6975(3) 0.3440(3) 0.0347(8) Uani 1 1 d . . . . .
N12 N 0.2502(3) 0.6299(3) 0.4161(3) 0.0353(8) Uani 1 1 d . . . . .
N13 N 0.0084(3) 0.4869(3) 0.6498(3) 0.0423(10) Uani 1 1 d . . . . .
N14 N 0.1792(3) 0.4715(3) 0.5602(3) 0.0350(8) Uani 1 1 d . . . . .
N15 N 0.1588(3) 0.3885(3) 0.6232(3) 0.0350(8) Uani 1 1 d . . . . .
N16 N 0.0733(3) 0.2471(3) 0.7624(3) 0.0381(9) Uani 1 1 d . . . . .
C1 C 0.4986(5) 0.7522(4) 0.0016(4) 0.0567(15) Uani 1 1 d . . . . .
H1 H 0.534007 0.809601 0.009146 0.068 Uiso 1 1 calc R U . . .
C2 C 0.4944(6) 0.7344(5) -0.0855(4) 0.0660(17) Uani 1 1 d . . . . .
H2 H 0.524540 0.780552 -0.134676 0.079 Uiso 1 1 calc R U . . .
C3 C 0.4461(5) 0.6496(4) -0.0979(4) 0.0568(14) Uani 1 1 d . . . . .
H3 H 0.444773 0.636022 -0.155651 0.068 Uiso 1 1 calc R U . . .
C4 C 0.3993(4) 0.5842(4) -0.0242(3) 0.0444(11) Uani 1 1 d . . . . .
H4 H 0.364539 0.526182 -0.031152 0.053 Uiso 1 1 calc R U . . .
C5 C 0.4044(4) 0.6056(3) 0.0610(3) 0.0345(9) Uani 1 1 d . . . . .
C6 C 0.3583(4) 0.5377(3) 0.1418(3) 0.0339(9) Uani 1 1 d . . . . .
C7 C 0.2769(4) 0.4216(3) 0.2345(3) 0.0354(10) Uani 1 1 d . . . . .
C8 C 0.2039(4) 0.3320(4) 0.2738(3) 0.0449(12) Uani 1 1 d . . . . .
H8A H 0.127706 0.353707 0.279704 0.054 Uiso 1 1 calc R U . . .
H8B H 0.219520 0.283066 0.230053 0.054 Uiso 1 1 calc R U . . .
C9 C 0.2113(4) 0.2794(3) 0.3620(3) 0.0342(9) Uani 1 1 d . . . . .
C10 C 0.1909(4) 0.1690(4) 0.4721(3) 0.0375(10) Uani 1 1 d . . . . .
C11 C 0.1618(4) 0.0779(3) 0.5359(3) 0.0340(9) Uani 1 1 d . . . . .
C12 C 0.1251(4) -0.0083(3) 0.5087(4) 0.0427(11) Uani 1 1 d . . . . .
H12 H 0.124329 -0.011176 0.448751 0.051 Uiso 1 1 calc R U . . .
C13 C 0.0898(4) -0.0894(4) 0.5725(4) 0.0466(12) Uani 1 1 d . . . . .
H13 H 0.063594 -0.147306 0.556667 0.056 Uiso 1 1 calc R U . . .
C14 C 0.0946(4) -0.0822(4) 0.6591(4) 0.0504(13) Uani 1 1 d . . . . .
H14 H 0.069676 -0.134849 0.703626 0.061 Uiso 1 1 calc R U . . .
C15 C 0.1368(4) 0.0041(3) 0.6805(3) 0.0420(11) Uani 1 1 d . . . . .
H15 H 0.142957 0.006406 0.739308 0.050 Uiso 1 1 calc R U . . .
C16 C 0.3790(5) 0.9390(4) 0.1556(4) 0.0529(14) Uani 1 1 d . . . . .
H16 H 0.448331 0.940305 0.114991 0.063 Uiso 1 1 calc R U . . .
C17 C 0.3107(5) 1.0197(5) 0.1512(4) 0.0638(16) Uani 1 1 d . . . . .
H17 H 0.334159 1.075735 0.110156 0.077 Uiso 1 1 calc R U . . .
C18 C 0.2047(5) 1.0167(4) 0.2095(4) 0.0616(16) Uani 1 1 d . . . . .
H18 H 0.155352 1.069778 0.206247 0.074 Uiso 1 1 calc R U . . .
C19 C 0.1745(4) 0.9351(4) 0.2714(4) 0.0489(13) Uani 1 1 d . . . . .
H19 H 0.104809 0.932020 0.311549 0.059 Uiso 1 1 calc R U . . .
C20 C 0.2499(4) 0.8565(4) 0.2731(3) 0.0373(10) Uani 1 1 d . . . . .
C21 C 0.2254(3) 0.7700(3) 0.3402(3) 0.0326(9) Uani 1 1 d . . . . .
C22 C 0.1507(4) 0.6689(3) 0.4497(3) 0.0365(10) Uani 1 1 d . . . . .
C23 C 0.0647(4) 0.6257(4) 0.5297(4) 0.0453(12) Uani 1 1 d . . . . .
H23A H -0.002384 0.618025 0.510067 0.054 Uiso 1 1 calc R U . . .
H23B H 0.048792 0.675283 0.572845 0.054 Uiso 1 1 calc R U . . .
C24 C 0.0865(4) 0.5269(4) 0.5798(3) 0.0385(10) Uani 1 1 d . . . . .
C25 C 0.0570(4) 0.4015(4) 0.6733(3) 0.0353(10) Uani 1 1 d . . . . .
C26 C 0.0076(4) 0.3263(4) 0.7490(3) 0.0367(10) Uani 1 1 d . . . . .
C27 C -0.0977(4) 0.3384(4) 0.8022(4) 0.0534(14) Uani 1 1 d . . . . .
H27 H -0.140711 0.393803 0.790386 0.064 Uiso 1 1 calc R U . . .
C28 C -0.1381(5) 0.2666(5) 0.8737(4) 0.0644(17) Uani 1 1 d . . . . .
H28 H -0.208974 0.273002 0.910784 0.077 Uiso 1 1 calc R U . . .
C29 C -0.0725(5) 0.1856(5) 0.8895(4) 0.0604(15) Uani 1 1 d . . . . .
H29 H -0.097878 0.136764 0.937553 0.072 Uiso 1 1 calc R U . . .
C30 C 0.0325(4) 0.1784(4) 0.8321(4) 0.0473(12) Uani 1 1 d . . . . .
H30 H 0.076502 0.123218 0.842521 0.057 Uiso 1 1 calc R U . . .
C31 C 0.6726(4) 0.8884(4) 0.1619(3) 0.0383(10) Uani 1 1 d . . . . .
C32 C 0.7035(6) 0.9799(5) 0.0948(4) 0.077(2) Uani 1 1 d . . . . .
H32A H 0.750813 0.960298 0.039639 0.116 Uiso 1 1 calc R U . . .
H32B H 0.741705 1.026756 0.119133 0.116 Uiso 1 1 calc R U . . .
H32C H 0.637553 1.010982 0.082699 0.116 Uiso 1 1 calc R U . . .
C33 C 0.5114(4) 0.8565(4) 0.4018(3) 0.0423(11) Uani 1 1 d . . . . .
C34 C 0.4012(5) 0.9050(7) 0.4336(6) 0.101(3) Uani 1 1 d . . . . .
H34A H 0.347185 0.854335 0.462124 0.151 Uiso 1 1 calc R U . . .
H34B H 0.379826 0.940685 0.383017 0.151 Uiso 1 1 calc R U . . .
H34C H 0.405629 0.951097 0.476232 0.151 Uiso 1 1 calc R U . . .
C35 C 0.6957(4) 0.5972(4) 0.1943(3) 0.0420(11) Uani 1 1 d . . . . .
C36 C 0.7951(6) 0.5297(6) 0.1793(6) 0.096(3) Uani 1 1 d . . . . .
H36A H 0.801297 0.495764 0.236093 0.144 Uiso 1 1 calc R U . . .
H36B H 0.860433 0.568973 0.152336 0.144 Uiso 1 1 calc R U . . .
H36C H 0.787532 0.481020 0.139760 0.144 Uiso 1 1 calc R U . . .
C38 C 0.4990(7) 0.2687(5) 0.3523(5) 0.079(2) Uani 1 1 d . U . . .
H38 H 0.433016 0.236475 0.382127 0.095 Uiso 0.46(3) 1 calc R U P A 1
H38A H 0.435990 0.229860 0.361131 0.095 Uiso 0.54(3) 1 calc R U P A 2
O9 O 0.4293(7) 0.5806(6) 0.5098(6) 0.093(2) Uani 0.679(6) 1 d . . P B 1
N17 N 0.570(2) 0.207(2) 0.3191(18) 0.077(4) Uani 0.46(3) 1 d . U P A 1
N18 N 0.5181(9) 0.6028(8) 0.4320(8) 0.087(3) Uani 0.679(6) 1 d . . P B 1
C39 C 0.687(3) 0.254(3) 0.275(3) 0.146(8) Uani 0.46(3) 1 d . U P A 1
H39A H 0.680247 0.325333 0.263124 0.218 Uiso 0.46(3) 1 calc R U P A 1
H39B H 0.719378 0.225307 0.219948 0.218 Uiso 0.46(3) 1 calc R U P A 1
H39C H 0.733980 0.239479 0.316153 0.218 Uiso 0.46(3) 1 calc R U P A 1
C40 C 0.538(8) 0.106(5) 0.327(6) 0.147(8) Uani 0.25(5) 1 d . U P A 1
H40A H 0.590336 0.063307 0.350319 0.220 Uiso 0.25(5) 1 calc R U P A 1
H40B H 0.535620 0.087336 0.269129 0.220 Uiso 0.25(5) 1 calc R U P A 1
H40C H 0.465792 0.096912 0.368091 0.220 Uiso 0.25(5) 1 calc R U P A 1
O9A O 0.500000 0.500000 0.500000 0.093(2) Uani 0.642(12) 2 d DS . P B 2
N17A N 0.6017(19) 0.2249(18) 0.3339(16) 0.077(4) Uani 0.54(3) 1 d . . P A 2
N19 N 0.5614(19) 0.5601(14) 0.4214(13) 0.087(3) Uani 0.321(6) 1 d D . P B 2
C39A C 0.700(2) 0.286(2) 0.327(3) 0.146(8) Uani 0.54(3) 1 d . . P A 2
H39D H 0.690046 0.351809 0.298559 0.218 Uiso 0.54(3) 1 calc R U P A 2
H39E H 0.764047 0.254627 0.291105 0.218 Uiso 0.54(3) 1 calc R U P A 2
H39F H 0.709782 0.290695 0.386087 0.218 Uiso 0.54(3) 1 calc R U P A 2
C40A C 0.602(3) 0.1161(14) 0.3167(16) 0.147(8) Uani 0.75(5) 1 d . . P A 2
H40D H 0.597911 0.074026 0.372044 0.220 Uiso 0.75(5) 1 calc R U P A 2
H40E H 0.668726 0.101389 0.272958 0.220 Uiso 0.75(5) 1 calc R U P A 2
H40F H 0.539034 0.103643 0.294069 0.220 Uiso 0.75(5) 1 calc R U P A 2
O11 O 0.005860 0.347920 0.104760 0.210(9) Uani 0.5 1 d . U P C .
N1A N 0.0572(11) 0.2419(10) 0.0767(9) 0.216(6) Uani 1 1 d D U . . .
N20 N 0.1821(12) 0.2650(12) 0.0290(9) 0.231(6) Uani 1 1 d D U . . .
O12 O -0.013261 0.128821 0.095181 0.166(6) Uani 0.5 1 d D U P C 1
N1B N -0.083720 0.234579 0.119781 0.273(15) Uani 0.5 1 d . U P C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O2 2.375(3) . ?
Dy1 O4 2.322(3) . ?
Dy1 O5 2.628(3) . ?
Dy1 O6 2.427(3) . ?
Dy1 O8 2.302(3) . ?
Dy1 N1 2.652(4) . ?
Dy1 N3 2.480(4) . ?
Dy1 N9 2.679(4) . ?
Dy1 N11 2.477(4) . ?
Dy2 O7 2.394(3) 2_666 ?
Dy2 O8 2.378(3) . ?
Dy2 O10 2.415(4) . ?
Dy2 N4 2.452(4) . ?
Dy2 N6 2.430(4) . ?
Dy2 N12 2.480(4) . ?
Dy2 N14 2.481(4) . ?
Dy2 O9 2.371(7) . ?
Dy2 O9A 2.4090(2) . ?
Dy3 O1 2.366(3) . ?
Dy3 O3 2.445(3) . ?
Dy3 O4 2.629(3) . ?
Dy3 O5 2.311(3) . ?
Dy3 O7 2.299(3) . ?
Dy3 N7 2.485(4) 2_666 ?
Dy3 N8 2.618(4) 2_666 ?
Dy3 N15 2.467(4) 2_666 ?
Dy3 N16 2.656(4) 2_666 ?
O1 C31 1.256(6) . ?
O2 C31 1.257(6) . ?
O3 C33 1.246(6) . ?
O4 C33 1.255(5) . ?
O5 C35 1.257(5) . ?
O6 C35 1.247(6) . ?
O7 N18 1.343(11) . ?
O7 N19 1.372(17) . ?
O8 N18 1.320(12) . ?
O8 N19 1.48(2) . ?
O10 C38 1.222(7) . ?
N1 C1 1.337(6) . ?
N1 C5 1.349(6) . ?
N2 C6 1.347(6) . ?
N2 C7 1.351(6) . ?
N3 N4 1.366(5) . ?
N3 C6 1.333(5) . ?
N4 C7 1.342(5) . ?
N5 C9 1.355(6) . ?
N5 C10 1.345(6) . ?
N6 N7 1.377(5) . ?
N6 C9 1.347(5) . ?
N7 C10 1.322(6) . ?
N8 C11 1.335(6) . ?
N8 C15 1.333(6) . ?
N9 C16 1.346(6) . ?
N9 C20 1.349(6) . ?
N10 C21 1.353(6) . ?
N10 C22 1.343(6) . ?
N11 N12 1.377(5) . ?
N11 C21 1.324(5) . ?
N12 C22 1.332(6) . ?
N13 C24 1.332(6) . ?
N13 C25 1.335(6) . ?
N14 N15 1.378(5) . ?
N14 C24 1.340(6) . ?
N15 C25 1.325(5) . ?
N16 C26 1.349(6) . ?
N16 C30 1.340(6) . ?
C1 H1 0.9300 . ?
C1 C2 1.400(8) . ?
C2 H2 0.9300 . ?
C2 C3 1.355(8) . ?
C3 H3 0.9300 . ?
C3 C4 1.370(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.389(6) . ?
C5 C6 1.459(6) . ?
C7 C8 1.505(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.481(6) . ?
C10 C11 1.474(6) . ?
C11 C12 1.397(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.384(7) . ?
C13 H13 0.9300 . ?
C13 C14 1.361(7) . ?
C14 H14 0.9300 . ?
C14 C15 1.389(7) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C16 C17 1.360(8) . ?
C17 H17 0.9300 . ?
C17 C18 1.397(9) . ?
C18 H18 0.9300 . ?
C18 C19 1.364(8) . ?
C19 H19 0.9300 . ?
C19 C20 1.391(7) . ?
C20 C21 1.450(6) . ?
C22 C23 1.490(7) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.509(7) . ?
C25 C26 1.474(6) . ?
C26 C27 1.376(7) . ?
C27 H27 0.9300 . ?
C27 C28 1.382(8) . ?
C28 H28 0.9300 . ?
C28 C29 1.374(8) . ?
C29 H29 0.9300 . ?
C29 C30 1.390(8) . ?
C30 H30 0.9300 . ?
C31 C32 1.508(7) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C34 1.490(7) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 C36 1.495(7) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C38 H38 0.9300 . ?
C38 H38A 0.9300 . ?
C38 N17 1.24(3) . ?
C38 N17A 1.37(2) . ?
O9 N18 1.423(13) . ?
N17 C39 1.56(4) . ?
N17 C40 1.42(8) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
O9A N19 1.434(17) . ?
O9A N19 1.434(17) 2_666 ?
N17A C39A 1.47(3) . ?
N17A C40A 1.51(3) . ?
C39A H39D 0.9600 . ?
C39A H39E 0.9600 . ?
C39A H39F 0.9600 . ?
C40A H40D 0.9600 . ?
C40A H40E 0.9600 . ?
C40A H40F 0.9600 . ?
O11 N1A 1.595(14) . ?
N1A N20 1.570(13) . ?
N1A O12 1.735(13) . ?
N1A N1B 1.717(14) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Dy1 O5 70.62(10) . . ?
O2 Dy1 O6 85.80(12) . . ?
O2 Dy1 N1 78.46(11) . . ?
O2 Dy1 N3 141.36(11) . . ?
O2 Dy1 N9 73.70(11) . . ?
O2 Dy1 N11 133.68(12) . . ?
O4 Dy1 O2 75.10(11) . . ?
O4 Dy1 O5 71.80(10) . . ?
O4 Dy1 O6 122.66(11) . . ?
O4 Dy1 N1 149.11(11) . . ?
O4 Dy1 N3 143.45(11) . . ?
O4 Dy1 N9 80.93(11) . . ?
O4 Dy1 N11 80.95(12) . . ?
O5 Dy1 N1 113.78(11) . . ?
O5 Dy1 N9 139.40(11) . . ?
O6 Dy1 O5 50.86(10) . . ?
O6 Dy1 N1 70.28(12) . . ?
O6 Dy1 N3 74.06(12) . . ?
O6 Dy1 N9 143.84(12) . . ?
O6 Dy1 N11 140.07(12) . . ?
O8 Dy1 O2 136.07(11) . . ?
O8 Dy1 O4 76.54(11) . . ?
O8 Dy1 O5 69.00(10) . . ?
O8 Dy1 O6 82.05(12) . . ?
O8 Dy1 N1 134.33(11) . . ?
O8 Dy1 N3 74.11(11) . . ?
O8 Dy1 N9 133.03(11) . . ?
O8 Dy1 N11 72.38(11) . . ?
N1 Dy1 N9 76.53(12) . . ?
N3 Dy1 O5 115.96(11) . . ?
N3 Dy1 N1 63.89(11) . . ?
N3 Dy1 N9 103.93(12) . . ?
N11 Dy1 O5 136.70(11) . . ?
N11 Dy1 N1 106.96(12) . . ?
N11 Dy1 N3 69.78(12) . . ?
N11 Dy1 N9 63.67(12) . . ?
O7 Dy2 O10 78.10(12) 2_666 . ?
O7 Dy2 N4 145.21(12) 2_666 . ?
O7 Dy2 N6 79.64(11) 2_666 . ?
O7 Dy2 N12 136.93(12) 2_666 . ?
O7 Dy2 N14 74.55(11) 2_666 . ?
O7 Dy2 O9A 58.20(7) 2_666 . ?
O8 Dy2 O7 116.22(10) . 2_666 ?
O8 Dy2 O10 77.98(12) . . ?
O8 Dy2 N4 79.35(11) . . ?
O8 Dy2 N6 145.88(12) . . ?
O8 Dy2 N12 75.31(11) . . ?
O8 Dy2 N14 136.23(11) . . ?
O8 Dy2 O9A 59.62(7) . . ?
O10 Dy2 N4 75.12(14) . . ?
O10 Dy2 N6 76.21(14) . . ?
O10 Dy2 N12 143.17(13) . . ?
O10 Dy2 N14 143.51(13) . . ?
N4 Dy2 N12 75.39(13) . . ?
N4 Dy2 N14 117.00(13) . . ?
N6 Dy2 N4 72.75(12) . . ?
N6 Dy2 N12 114.89(13) . . ?
N6 Dy2 N14 75.49(13) . . ?
N12 Dy2 N14 71.04(12) . . ?
O9 Dy2 O7 78.0(2) . 2_666 ?
O9 Dy2 O8 57.0(2) . . ?
O9 Dy2 O10 109.8(2) . . ?
O9 Dy2 N4 132.2(2) . . ?
O9 Dy2 N6 154.9(2) . . ?
O9 Dy2 N12 75.5(2) . . ?
O9 Dy2 N14 87.7(2) . . ?
O9A Dy2 O10 79.13(10) . . ?
O9A Dy2 N4 135.17(9) . . ?
O9A Dy2 N6 134.60(9) . . ?
O9A Dy2 N12 107.74(9) . . ?
O9A Dy2 N14 105.56(9) . . ?
O1 Dy3 O3 83.13(12) . . ?
O1 Dy3 O4 68.60(10) . . ?
O1 Dy3 N7 140.68(11) . 2_666 ?
O1 Dy3 N8 77.61(11) . 2_666 ?
O1 Dy3 N15 135.37(12) . 2_666 ?
O1 Dy3 N16 74.80(12) . 2_666 ?
O3 Dy3 O4 50.59(10) . . ?
O3 Dy3 N7 75.55(12) . 2_666 ?
O3 Dy3 N8 71.41(12) . 2_666 ?
O3 Dy3 N15 141.13(12) . 2_666 ?
O3 Dy3 N16 143.75(12) . 2_666 ?
O4 Dy3 N16 137.90(11) . 2_666 ?
O5 Dy3 O1 75.38(11) . . ?
O5 Dy3 O3 122.55(11) . . ?
O5 Dy3 O4 71.96(10) . . ?
O5 Dy3 N7 143.84(11) . 2_666 ?
O5 Dy3 N8 147.27(12) . 2_666 ?
O5 Dy3 N15 80.70(12) . 2_666 ?
O5 Dy3 N16 79.41(11) . 2_666 ?
O7 Dy3 O1 135.95(11) . . ?
O7 Dy3 O3 82.27(12) . . ?
O7 Dy3 O4 70.03(10) . . ?
O7 Dy3 O5 78.13(11) . . ?
O7 Dy3 N7 73.61(11) . 2_666 ?
O7 Dy3 N8 134.60(12) . 2_666 ?
O7 Dy3 N15 72.12(11) . 2_666 ?
O7 Dy3 N16 133.18(11) . 2_666 ?
N7 Dy3 O4 117.24(11) 2_666 . ?
N7 Dy3 N8 64.48(12) 2_666 2_666 ?
N7 Dy3 N16 104.16(12) 2_666 2_666 ?
N8 Dy3 O4 114.34(11) 2_666 . ?
N8 Dy3 N16 75.93(12) 2_666 2_666 ?
N15 Dy3 O4 136.83(11) 2_666 . ?
N15 Dy3 N7 69.52(13) 2_666 2_666 ?
N15 Dy3 N8 106.80(12) 2_666 2_666 ?
N15 Dy3 N16 64.03(12) 2_666 2_666 ?
C31 O1 Dy3 139.5(3) . . ?
C31 O2 Dy1 136.4(3) . . ?
C33 O3 Dy3 98.8(3) . . ?
Dy1 O4 Dy3 107.94(11) . . ?
C33 O4 Dy1 162.2(3) . . ?
C33 O4 Dy3 89.8(3) . . ?
Dy3 O5 Dy1 108.30(11) . . ?
C35 O5 Dy1 88.9(3) . . ?
C35 O5 Dy3 162.0(3) . . ?
C35 O6 Dy1 98.7(3) . . ?
Dy3 O7 Dy2 126.60(13) . 2_666 ?
N18 O7 Dy2 103.3(5) . 2_666 ?
N18 O7 Dy3 129.3(5) . . ?
N19 O7 Dy3 130.8(8) . . ?
Dy1 O8 Dy2 126.47(13) . . ?
N18 O8 Dy1 126.1(5) . . ?
N18 O8 Dy2 94.1(5) . . ?
N19 O8 Dy1 138.4(6) . . ?
N19 O8 Dy2 94.7(6) . . ?
C38 O10 Dy2 134.7(5) . . ?
C1 N1 Dy1 123.8(3) . . ?
C1 N1 C5 117.9(4) . . ?
C5 N1 Dy1 117.3(3) . . ?
C6 N2 C7 101.6(4) . . ?
N4 N3 Dy1 132.3(3) . . ?
C6 N3 Dy1 122.3(3) . . ?
C6 N3 N4 105.3(3) . . ?
N3 N4 Dy2 117.1(2) . . ?
C7 N4 Dy2 136.4(3) . . ?
C7 N4 N3 106.1(3) . . ?
C10 N5 C9 101.6(4) . . ?
N7 N6 Dy2 116.6(2) . . ?
C9 N6 Dy2 137.0(3) . . ?
C9 N6 N7 105.7(3) . . ?
N6 N7 Dy3 133.3(3) . 2_666 ?
C10 N7 Dy3 121.3(3) . 2_666 ?
C10 N7 N6 105.4(4) . . ?
C11 N8 Dy3 116.9(3) . 2_666 ?
C15 N8 Dy3 124.6(3) . 2_666 ?
C15 N8 C11 117.8(4) . . ?
C16 N9 Dy1 125.6(3) . . ?
C16 N9 C20 117.2(4) . . ?
C20 N9 Dy1 117.0(3) . . ?
C22 N10 C21 101.0(4) . . ?
N12 N11 Dy1 131.9(3) . . ?
C21 N11 Dy1 122.3(3) . . ?
C21 N11 N12 105.8(4) . . ?
N11 N12 Dy2 116.8(3) . . ?
C22 N12 Dy2 137.5(3) . . ?
C22 N12 N11 104.9(4) . . ?
C24 N13 C25 101.6(4) . . ?
N15 N14 Dy2 117.3(3) . . ?
C24 N14 Dy2 137.3(3) . . ?
C24 N14 N15 104.5(4) . . ?
N14 N15 Dy3 131.9(3) . 2_666 ?
C25 N15 Dy3 122.6(3) . 2_666 ?
C25 N15 N14 105.5(4) . . ?
C26 N16 Dy3 117.7(3) . 2_666 ?
C30 N16 Dy3 125.2(3) . 2_666 ?
C30 N16 C26 117.1(4) . . ?
N1 C1 H1 119.1 . . ?
N1 C1 C2 121.8(5) . . ?
C2 C1 H1 119.1 . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.7(5) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 H3 120.4 . . ?
C2 C3 C4 119.1(5) . . ?
C4 C3 H3 120.4 . . ?
C3 C4 H4 120.4 . . ?
C3 C4 C5 119.1(5) . . ?
C5 C4 H4 120.4 . . ?
N1 C5 C4 122.3(4) . . ?
N1 C5 C6 116.0(4) . . ?
C4 C5 C6 121.7(4) . . ?
N2 C6 C5 126.1(4) . . ?
N3 C6 N2 114.1(4) . . ?
N3 C6 C5 119.8(4) . . ?
N2 C7 C8 121.4(4) . . ?
N4 C7 N2 112.9(4) . . ?
N4 C7 C8 125.6(4) . . ?
C7 C8 H8A 107.6 . . ?
C7 C8 H8B 107.6 . . ?
H8A C8 H8B 107.0 . . ?
C9 C8 C7 118.9(4) . . ?
C9 C8 H8A 107.6 . . ?
C9 C8 H8B 107.6 . . ?
N5 C9 C8 121.6(4) . . ?
N6 C9 N5 112.7(4) . . ?
N6 C9 C8 125.7(4) . . ?
N5 C10 C11 126.2(4) . . ?
N7 C10 N5 114.5(4) . . ?
N7 C10 C11 119.2(4) . . ?
N8 C11 C10 116.8(4) . . ?
N8 C11 C12 122.5(4) . . ?
C12 C11 C10 120.7(4) . . ?
C11 C12 H12 120.5 . . ?
C13 C12 C11 118.9(5) . . ?
C13 C12 H12 120.5 . . ?
C12 C13 H13 120.9 . . ?
C14 C13 C12 118.3(5) . . ?
C14 C13 H13 120.9 . . ?
C13 C14 H14 120.1 . . ?
C13 C14 C15 119.7(5) . . ?
C15 C14 H14 120.1 . . ?
N8 C15 C14 122.7(5) . . ?
N8 C15 H15 118.7 . . ?
C14 C15 H15 118.7 . . ?
N9 C16 H16 118.3 . . ?
N9 C16 C17 123.5(6) . . ?
C17 C16 H16 118.3 . . ?
C16 C17 H17 120.7 . . ?
C16 C17 C18 118.7(5) . . ?
C18 C17 H17 120.7 . . ?
C17 C18 H18 120.4 . . ?
C19 C18 C17 119.2(5) . . ?
C19 C18 H18 120.4 . . ?
C18 C19 H19 120.6 . . ?
C18 C19 C20 118.7(5) . . ?
C20 C19 H19 120.6 . . ?
N9 C20 C19 122.7(5) . . ?
N9 C20 C21 115.7(4) . . ?
C19 C20 C21 121.5(4) . . ?
N10 C21 C20 124.9(4) . . ?
N11 C21 N10 113.8(4) . . ?
N11 C21 C20 121.3(4) . . ?
N10 C22 C23 119.0(4) . . ?
N12 C22 N10 114.4(4) . . ?
N12 C22 C23 126.6(4) . . ?
C22 C23 H23A 107.4 . . ?
C22 C23 H23B 107.4 . . ?
C22 C23 C24 119.7(4) . . ?
H23A C23 H23B 106.9 . . ?
C24 C23 H23A 107.4 . . ?
C24 C23 H23B 107.4 . . ?
N13 C24 N14 114.2(4) . . ?
N13 C24 C23 119.7(4) . . ?
N14 C24 C23 126.1(4) . . ?
N13 C25 C26 125.3(4) . . ?
N15 C25 N13 114.2(4) . . ?
N15 C25 C26 120.4(4) . . ?
N16 C26 C25 115.2(4) . . ?
N16 C26 C27 123.3(4) . . ?
C27 C26 C25 121.5(4) . . ?
C26 C27 H27 120.7 . . ?
C26 C27 C28 118.6(5) . . ?
C28 C27 H27 120.7 . . ?
C27 C28 H28 120.3 . . ?
C29 C28 C27 119.3(5) . . ?
C29 C28 H28 120.3 . . ?
C28 C29 H29 120.7 . . ?
C28 C29 C30 118.6(5) . . ?
C30 C29 H29 120.7 . . ?
N16 C30 C29 123.1(5) . . ?
N16 C30 H30 118.5 . . ?
C29 C30 H30 118.5 . . ?
O1 C31 O2 126.2(4) . . ?
O1 C31 C32 116.9(4) . . ?
O2 C31 C32 116.9(4) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O3 C33 Dy3 56.2(2) . . ?
O3 C33 O4 120.7(4) . . ?
O3 C33 C34 121.2(5) . . ?
O4 C33 Dy3 64.6(2) . . ?
O4 C33 C34 118.1(5) . . ?
C34 C33 Dy3 176.5(4) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O5 C35 Dy1 65.3(2) . . ?
O5 C35 C36 118.3(5) . . ?
O6 C35 Dy1 56.1(2) . . ?
O6 C35 O5 120.8(4) . . ?
O6 C35 C36 120.8(5) . . ?
C36 C35 Dy1 171.2(5) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O10 C38 H38 110.9 . . ?
O10 C38 H38A 120.2 . . ?
O10 C38 N17 138.3(15) . . ?
O10 C38 N17A 119.6(13) . . ?
N17 C38 H38 110.9 . . ?
N17A C38 H38A 120.2 . . ?
N18 O9 Dy2 91.7(6) . . ?
C38 N17 C39 114(2) . . ?
C38 N17 C40 117(4) . . ?
C40 N17 C39 128(4) . . ?
O7 N18 Dy2 161.6(7) . . ?
O7 N18 O9 118.7(9) . . ?
O8 N18 Dy2 57.9(4) . . ?
O8 N18 O7 130.0(9) . . ?
O8 N18 O9 111.3(8) . . ?
O9 N18 Dy2 57.8(5) . . ?
N17 C39 H39A 109.5 . . ?
N17 C39 H39B 109.5 . . ?
N17 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N17 C40 H40A 109.5 . . ?
N17 C40 H40B 109.5 . . ?
N17 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Dy2 O9A Dy2 180.0 . 2_666 ?
N19 O9A Dy2 85.4(9) 2_666 . ?
N19 O9A Dy2 94.6(9) . . ?
N19 O9A N19 180.0 . 2_666 ?
C38 N17A C39A 119.6(19) . . ?
C38 N17A C40A 114(2) . . ?
C39A N17A C40A 126(2) . . ?
Dy2 N19 Dy2 118.6(6) 2_666 . ?
O7 N19 Dy2 144.6(14) . . ?
O7 N19 Dy2 62.3(8) . 2_666 ?
O7 N19 O8 115.6(14) . . ?
O7 N19 O9A 112.7(14) . . ?
O8 N19 Dy2 167.0(14) . 2_666 ?
O8 N19 Dy2 54.8(6) . . ?
O9A N19 Dy2 55.8(6) . . ?
O9A N19 O8 109.5(13) . . ?
N17A C39A H39D 109.5 . . ?
N17A C39A H39E 109.5 . . ?
N17A C39A H39F 109.5 . . ?
H39D C39A H39E 109.5 . . ?
H39D C39A H39F 109.5 . . ?
H39E C39A H39F 109.5 . . ?
N17A C40A H40D 109.5 . . ?
N17A C40A H40E 109.5 . . ?
N17A C40A H40F 109.5 . . ?
H40D C40A H40E 109.5 . . ?
H40D C40A H40F 109.5 . . ?
H40E C40A H40F 109.5 . . ?
O11 N1A O12 126.3(9) . . ?
O11 N1A N1B 68.7(6) . . ?
N20 N1A O11 104.3(10) . . ?
N20 N1A O12 129.4(12) . . ?
N20 N1A N1B 170.8(11) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O2 C31 O1 15.2(8) . . . . ?
Dy1 O2 C31 C32 -163.7(4) . . . . ?
Dy1 O4 C33 Dy3 176.2(11) . . . . ?
Dy1 O4 C33 O3 178.7(7) . . . . ?
Dy1 O4 C33 C34 -1.4(14) . . . . ?
Dy1 O5 C35 O6 8.1(5) . . . . ?
Dy1 O5 C35 C36 -171.1(6) . . . . ?
Dy1 O6 C35 O5 -8.9(5) . . . . ?
Dy1 O6 C35 C36 170.3(6) . . . . ?
Dy1 O8 N18 Dy2 142.1(5) . . . . ?
Dy1 O8 N18 O7 -58.6(13) . . . . ?
Dy1 O8 N18 O9 119.1(7) . . . . ?
Dy1 O8 N19 Dy2 109(4) . . . 2_666 ?
Dy1 O8 N19 Dy2 172.0(11) . . . . ?
Dy1 O8 N19 O7 32(2) . . . . ?
Dy1 O8 N19 O9A 160.5(4) . . . . ?
Dy1 N1 C1 C2 169.7(5) . . . . ?
Dy1 N1 C5 C4 -169.7(4) . . . . ?
Dy1 N1 C5 C6 9.3(5) . . . . ?
Dy1 N3 N4 Dy2 -8.5(5) . . . . ?
Dy1 N3 N4 C7 177.2(3) . . . . ?
Dy1 N3 C6 N2 -177.4(3) . . . . ?
Dy1 N3 C6 C5 3.2(6) . . . . ?
Dy1 N9 C16 C17 -175.7(5) . . . . ?
Dy1 N9 C20 C19 177.5(4) . . . . ?
Dy1 N9 C20 C21 0.2(5) . . . . ?
Dy1 N11 N12 Dy2 -9.6(5) . . . . ?
Dy1 N11 N12 C22 178.5(3) . . . . ?
Dy1 N11 C21 N10 -178.5(3) . . . . ?
Dy1 N11 C21 C20 -0.7(6) . . . . ?
Dy2 O7 N18 Dy2 -26(3) 2_666 . . . ?
Dy2 O7 N18 O8 -134.6(10) 2_666 . . . ?
Dy2 O7 N18 O9 47.9(10) 2_666 . . . ?
Dy2 O7 N19 Dy2 101.1(19) 2_666 . . . ?
Dy2 O7 N19 O8 165.6(14) 2_666 . . . ?
Dy2 O7 N19 O9A 38.6(15) 2_666 . . . ?
Dy2 O8 N18 O7 159.3(10) . . . . ?
Dy2 O8 N18 O9 -23.0(8) . . . . ?
Dy2 O8 N19 Dy2 -63(4) . . . 2_666 ?
Dy2 O8 N19 O7 -140.1(13) . . . . ?
Dy2 O8 N19 O9A -11.6(13) . . . . ?
Dy2 O10 C38 N17 -174(2) . . . . ?
Dy2 O10 C38 N17A -153.2(12) . . . . ?
Dy2 N4 C7 N2 -173.7(3) . . . . ?
Dy2 N4 C7 C8 10.0(8) . . . . ?
Dy2 N6 N7 Dy3 7.9(5) . . . 2_666 ?
Dy2 N6 N7 C10 -171.5(3) . . . . ?
Dy2 N6 C9 N5 168.4(3) . . . . ?
Dy2 N6 C9 C8 -14.5(8) . . . . ?
Dy2 N12 C22 N10 -169.1(3) . . . . ?
Dy2 N12 C22 C23 11.8(8) . . . . ?
Dy2 N14 N15 Dy3 8.9(5) . . . 2_666 ?
Dy2 N14 N15 C25 -170.4(3) . . . . ?
Dy2 N14 C24 N13 168.2(3) . . . . ?
Dy2 N14 C24 C23 -10.9(8) . . . . ?
Dy2 O9 N18 O7 -159.0(8) . . . . ?
Dy2 O9 N18 O8 23.0(8) . . . . ?
Dy2 O9A N19 Dy2 180.0 . . . 2_666 ?
Dy2 O9A N19 Dy2 180.001(0) 2_666 . . . ?
Dy2 O9A N19 O7 141.6(15) . . . . ?
Dy2 O9A N19 O7 -38.4(15) 2_666 . . . ?
Dy2 O9A N19 O8 -168.6(13) 2_666 . . . ?
Dy2 O9A N19 O8 11.4(13) . . . . ?
Dy3 O1 C31 O2 3.9(8) . . . . ?
Dy3 O1 C31 C32 -177.2(4) . . . . ?
Dy3 O3 C33 O4 -2.8(5) . . . . ?
Dy3 O3 C33 C34 177.4(6) . . . . ?
Dy3 O4 C33 O3 2.5(5) . . . . ?
Dy3 O4 C33 C34 -177.6(6) . . . . ?
Dy3 O5 C35 Dy1 163.3(10) . . . . ?
Dy3 O5 C35 O6 171.4(7) . . . . ?
Dy3 O5 C35 C36 -7.8(14) . . . . ?
Dy3 O7 N18 Dy2 144(2) . . . . ?
Dy3 O7 N18 O8 35.5(15) . . . . ?
Dy3 O7 N18 O9 -142.1(7) . . . . ?
Dy3 O7 N19 Dy2 -120.5(15) . . . . ?
Dy3 O7 N19 Dy2 138.4(9) . . . 2_666 ?
Dy3 O7 N19 O8 -56(2) . . . . ?
Dy3 O7 N19 O9A 177.0(6) . . . . ?
Dy3 N7 C10 N5 -179.2(3) 2_666 . . . ?
Dy3 N7 C10 C11 2.5(6) 2_666 . . . ?
Dy3 N8 C11 C10 -12.8(5) 2_666 . . . ?
Dy3 N8 C11 C12 169.4(3) 2_666 . . . ?
Dy3 N8 C15 C14 -171.8(4) 2_666 . . . ?
Dy3 N15 C25 N13 179.6(3) 2_666 . . . ?
Dy3 N15 C25 C26 1.2(6) 2_666 . . . ?
Dy3 N16 C26 C25 -1.8(5) 2_666 . . . ?
Dy3 N16 C26 C27 179.2(4) 2_666 . . . ?
Dy3 N16 C30 C29 -179.8(4) 2_666 . . . ?
O10 C38 N17 C39 5(3) . . . . ?
O10 C38 N17 C40 -176(4) . . . . ?
O10 C38 N17A C39A 5(3) . . . . ?
O10 C38 N17A C40A -171.6(14) . . . . ?
N1 C1 C2 C3 -2.0(10) . . . . ?
N1 C5 C6 N2 172.1(4) . . . . ?
N1 C5 C6 N3 -8.5(6) . . . . ?
N2 C7 C8 C9 162.6(5) . . . . ?
N3 N4 C7 N2 -1.0(5) . . . . ?
N3 N4 C7 C8 -177.3(4) . . . . ?
N4 N3 C6 N2 -0.8(5) . . . . ?
N4 N3 C6 C5 179.8(4) . . . . ?
N4 C7 C8 C9 -21.4(8) . . . . ?
N5 C10 C11 N8 -170.7(5) . . . . ?
N5 C10 C11 C12 7.1(7) . . . . ?
N6 N7 C10 N5 0.3(6) . . . . ?
N6 N7 C10 C11 -178.0(4) . . . . ?
N7 N6 C9 N5 -1.0(5) . . . . ?
N7 N6 C9 C8 176.2(5) . . . . ?
N7 C10 C11 N8 7.4(6) . . . . ?
N7 C10 C11 C12 -174.8(4) . . . . ?
N8 C11 C12 C13 3.0(7) . . . . ?
N9 C16 C17 C18 -2.5(10) . . . . ?
N9 C20 C21 N10 177.8(4) . . . . ?
N9 C20 C21 N11 0.3(6) . . . . ?
N10 C22 C23 C24 179.7(5) . . . . ?
N11 N12 C22 N10 0.2(5) . . . . ?
N11 N12 C22 C23 -178.9(5) . . . . ?
N12 N11 C21 N10 0.6(5) . . . . ?
N12 N11 C21 C20 178.4(4) . . . . ?
N12 C22 C23 C24 -1.2(8) . . . . ?
N13 C25 C26 N16 -177.7(4) . . . . ?
N13 C25 C26 C27 1.3(8) . . . . ?
N14 N15 C25 N13 -0.9(5) . . . . ?
N14 N15 C25 C26 -179.4(4) . . . . ?
N15 N14 C24 N13 0.1(6) . . . . ?
N15 N14 C24 C23 -179.0(5) . . . . ?
N15 C25 C26 N16 0.6(7) . . . . ?
N15 C25 C26 C27 179.6(5) . . . . ?
N16 C26 C27 C28 0.7(9) . . . . ?
C1 N1 C5 C4 -0.4(7) . . . . ?
C1 N1 C5 C6 178.6(5) . . . . ?
C1 C2 C3 C4 1.9(10) . . . . ?
C2 C3 C4 C5 -1.2(9) . . . . ?
C3 C4 C5 N1 0.4(8) . . . . ?
C3 C4 C5 C6 -178.5(5) . . . . ?
C4 C5 C6 N2 -8.8(7) . . . . ?
C4 C5 C6 N3 170.5(4) . . . . ?
C5 N1 C1 C2 1.2(9) . . . . ?
C6 N2 C7 N4 0.5(5) . . . . ?
C6 N2 C7 C8 176.9(4) . . . . ?
C6 N3 N4 Dy2 175.4(3) . . . . ?
C6 N3 N4 C7 1.1(5) . . . . ?
C7 N2 C6 N3 0.2(5) . . . . ?
C7 N2 C6 C5 179.6(4) . . . . ?
C7 C8 C9 N5 -159.6(5) . . . . ?
C7 C8 C9 N6 23.5(8) . . . . ?
C9 N5 C10 N7 -0.8(6) . . . . ?
C9 N5 C10 C11 177.3(5) . . . . ?
C9 N6 N7 Dy3 179.8(3) . . . 2_666 ?
C9 N6 N7 C10 0.4(5) . . . . ?
C10 N5 C9 N6 1.1(5) . . . . ?
C10 N5 C9 C8 -176.2(5) . . . . ?
C10 C11 C12 C13 -174.7(4) . . . . ?
C11 N8 C15 C14 -1.5(7) . . . . ?
C11 C12 C13 C14 -1.3(8) . . . . ?
C12 C13 C14 C15 -1.7(8) . . . . ?
C13 C14 C15 N8 3.2(8) . . . . ?
C15 N8 C11 C10 176.2(4) . . . . ?
C15 N8 C11 C12 -1.6(7) . . . . ?
C16 N9 C20 C19 0.7(7) . . . . ?
C16 N9 C20 C21 -176.6(4) . . . . ?
C16 C17 C18 C19 2.6(10) . . . . ?
C17 C18 C19 C20 -1.1(9) . . . . ?
C18 C19 C20 N9 -0.6(8) . . . . ?
C18 C19 C20 C21 176.6(5) . . . . ?
C19 C20 C21 N10 0.5(7) . . . . ?
C19 C20 C21 N11 -177.1(4) . . . . ?
C20 N9 C16 C17 0.9(8) . . . . ?
C21 N10 C22 N12 0.2(5) . . . . ?
C21 N10 C22 C23 179.4(4) . . . . ?
C21 N11 N12 Dy2 171.4(3) . . . . ?
C21 N11 N12 C22 -0.5(5) . . . . ?
C22 N10 C21 N11 -0.5(5) . . . . ?
C22 N10 C21 C20 -178.2(4) . . . . ?
C22 C23 C24 N13 -178.2(5) . . . . ?
C22 C23 C24 N14 0.8(8) . . . . ?
C24 N13 C25 N15 1.0(6) . . . . ?
C24 N13 C25 C26 179.4(5) . . . . ?
C24 N14 N15 Dy3 179.8(3) . . . 2_666 ?
C24 N14 N15 C25 0.5(5) . . . . ?
C25 N13 C24 N14 -0.6(6) . . . . ?
C25 N13 C24 C23 178.5(5) . . . . ?
C25 C26 C27 C28 -178.2(5) . . . . ?
C26 N16 C30 C29 0.1(8) . . . . ?
C26 C27 C28 C29 0.0(10) . . . . ?
C27 C28 C29 C30 -0.6(10) . . . . ?
C28 C29 C30 N16 0.6(9) . . . . ?
C30 N16 C26 C25 178.3(4) . . . . ?
C30 N16 C26 C27 -0.7(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.495
_oxdiff_exptl_absorpt_empirical_full_min 0.674
####################################################################### 
# 
# 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_aaaa_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1982723'
loop_
_audit_author_name
_audit_author_address
'Ye Tao'
;Guangxi Normal University
China
;
_audit_update_record             
;
2021-02-28 deposited with the CCDC.	2021-03-19 downloaded from the CCDC.
;
_audit_creation_date             2021-02-19
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C76 H86 Dy6 N32 O17, O2'
_chemical_formula_sum            'C76 H86 Dy6 N32 O19'
_chemical_formula_weight         2726.76
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           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                   11.8929(15)
_cell_length_b                   18.115(2)
_cell_length_c                   21.769(3)
_cell_angle_alpha                90
_cell_angle_beta                 105.045(2)
_cell_angle_gamma                90
_cell_volume                     4529.1(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9928
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      26.42
_cell_measurement_theta_min      2.45
_shelx_estimated_absorpt_T_max   0.503
_shelx_estimated_absorpt_T_min   0.468
_exptl_absorpt_coefficient_mu    4.971
_exptl_absorpt_correction_T_max  0.4512
_exptl_absorpt_correction_T_min  0.4253
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light yellow'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.999
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2628
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_unetI/netI     0.0320
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            44636
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.434
_diffrn_reflns_theta_min         1.484
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7420
_reflns_number_total             9296
_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 v8.27A (Bruker, 2012)'
_computing_data_collection       'Bruker SMART APEX II'
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_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    'XS  (Sheldrick, 2008)'
_refine_diff_density_max         1.810
_refine_diff_density_min         -0.954
_refine_diff_density_rms         0.173
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     621
_refine_ls_number_reflns         9296
_refine_ls_number_restraints     65
_refine_ls_R_factor_all          0.0542
_refine_ls_R_factor_gt           0.0354
_refine_ls_restrained_S_all      1.111
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0497P)²+17.9863P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0888
_refine_ls_wR_factor_ref         0.1031
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H1A of O1, H2A of O2, H3A of O10A, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H6 of O6, H9 of O9
2. Restrained distances
 O6-H6
 0.85 with sigma of 0.01
 O4_$1-H3A
 2.5 with sigma of 0.02
 H3A-H15
 2.5 with sigma of 0.02
 H3A-Dy1_$1
 2.7 with sigma of 0.02
 O9-H9
 0.85 with sigma of 0.01
 O3-H3A
 0.85 with sigma of 0.02
 C33-H6
 1.897229 with sigma of 0.02
 C37-H9
 1.88308 with sigma of 0.02
3. Rigid bond restraints
 O6, C33, C34
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.005
4. Uiso/Uaniso restraints and constraints
C31 \\sim C32 \\sim C33 \\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim
O8: within -3.9A with sigma of 0.01 and sigma for terminal atoms of 0.02 within
-3.9A
Uanis(O10) = Uanis(O10A)
5. Others
 Sof(O10A)=1-FVAR(1)
 Sof(O10)=FVAR(1)
 Fixed Sof: O8(0.5)
6.a Riding coordinates:
 O1(H1A), O2(H2A)
6.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C23(H23A,H23B), C33(H33A,H33B), C35(H35A,H35B), C37(H37A,H37B)
6.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C12(H12), C13(H13), C14(H14), C15(H15),
 C16(H16), C17(H17), C18(H18), C19(H19), C27(H27), C28(H28), C29(H29), C30(H30)
6.d Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C), C34(H34A,H34B,H34C), C36(H36A,H36B,H36C), C38(H38A,H38B,
 H38C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     heavy
_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 0.77191(3) 0.72516(2) 0.62651(2) 0.03008(9) Uani 1 1 d . . . . .
Dy2 Dy 0.66094(2) 0.53766(2) 0.51163(2) 0.02358(8) Uani 1 1 d . . . . .
Dy3 Dy 0.52059(2) 0.36135(2) 0.39335(2) 0.02707(9) Uani 1 1 d . . . . .
O1 O 0.6284(3) 0.6556(2) 0.55454(19) 0.0272(9) Uani 1 1 d . . . . .
H1A H 0.600487 0.683545 0.522901 0.033 Uiso 1 1 d R U . . .
O2 O 0.4963(3) 0.4759(2) 0.43935(18) 0.0239(8) Uani 1 1 d . . . . .
H2A H 0.471936 0.505450 0.408426 0.029 Uiso 1 1 d R U . . .
O3 O 0.3802(4) 0.2911(3) 0.3290(2) 0.0365(10) Uani 1 1 d D . . . .
O4 O 0.7627(5) 0.8442(3) 0.6692(3) 0.0482(13) Uani 1 1 d . . . . .
O5 O 0.7433(7) 0.9312(4) 0.5939(4) 0.092(2) Uani 1 1 d . . . . .
O6 O 0.7150(5) 0.8047(3) 0.5373(3) 0.0511(13) Uani 1 1 d D U . . .
H6 H 0.713(9) 0.8500(9) 0.548(2) 0.077 Uiso 1 1 d D U . . .
O7 O 0.5940(5) 0.6210(3) 0.4259(2) 0.0451(12) Uani 1 1 d . . . . .
O9 O 0.4605(5) 0.4416(3) 0.3028(2) 0.0522(14) Uani 1 1 d D . . . .
H9 H 0.468(8) 0.4879(9) 0.3113(16) 0.078 Uiso 1 1 d D U . . .
N1 N 0.8807(5) 0.7061(3) 0.7465(3) 0.0387(13) Uani 1 1 d . . . . .
N2 N 0.8058(5) 0.5972(3) 0.6589(2) 0.0329(12) Uani 1 1 d . . . . .
N3 N 0.7798(4) 0.5327(3) 0.6259(2) 0.0293(11) Uani 1 1 d . . . . .
N4 N 0.8871(5) 0.5060(3) 0.7242(3) 0.0412(14) Uani 1 1 d . . . . .
N5 N 0.6929(4) 0.4066(3) 0.5455(2) 0.0284(11) Uani 1 1 d . . . . .
N6 N 0.6388(5) 0.3538(3) 0.5027(2) 0.0334(12) Uani 1 1 d . . . . .
N7 N 0.7454(5) 0.2948(3) 0.5881(3) 0.0386(13) Uani 1 1 d . . . . .
N8 N 0.5663(5) 0.2252(3) 0.4386(3) 0.0354(13) Uani 1 1 d . . . . .
N9 N 0.9740(5) 0.7831(3) 0.6292(3) 0.0397(13) Uani 1 1 d . . . . .
N10 N 0.8729(5) 0.6664(3) 0.5555(3) 0.0340(12) Uani 1 1 d . . . . .
N11 N 0.8446(5) 0.6081(3) 0.5140(2) 0.0316(12) Uani 1 1 d . . . . .
N12 N 1.0089(5) 0.6610(3) 0.5017(3) 0.0401(14) Uani 1 1 d . . . . .
N13 N 0.7576(5) 0.4843(3) 0.4329(3) 0.0325(12) Uani 1 1 d . . . . .
N14 N 0.7018(5) 0.4254(3) 0.3978(2) 0.0318(12) Uani 1 1 d . . . . .
N15 N 0.8596(5) 0.4512(3) 0.3637(3) 0.0399(14) Uani 1 1 d . . . . .
N16 N 0.6360(5) 0.3106(3) 0.3154(3) 0.0380(13) Uani 1 1 d . . . . .
C1 C 0.9096(7) 0.7585(5) 0.7914(4) 0.0507(19) Uani 1 1 d . . . . .
H1 H 0.889718 0.807095 0.779595 0.061 Uiso 1 1 calc R U . . .
C2 C 0.9670(7) 0.7446(5) 0.8539(4) 0.056(2) Uani 1 1 d . . . . .
H2 H 0.985692 0.782711 0.883453 0.067 Uiso 1 1 calc R U . . .
C3 C 0.9955(8) 0.6735(5) 0.8711(4) 0.059(2) Uani 1 1 d . . . . .
H3 H 1.035586 0.662852 0.912791 0.071 Uiso 1 1 calc R U . . .
C4 C 0.9657(8) 0.6170(5) 0.8275(4) 0.056(2) Uani 1 1 d . . . . .
H4 H 0.983404 0.568127 0.839120 0.067 Uiso 1 1 calc R U . . .
C5 C 0.9084(6) 0.6362(4) 0.7657(3) 0.0400(16) Uani 1 1 d . . . . .
C6 C 0.8691(6) 0.5794(4) 0.7162(3) 0.0393(16) Uani 1 1 d . . . . .
C7 C 0.8299(6) 0.4802(4) 0.6673(3) 0.0320(14) Uani 1 1 d . . . . .
C8 C 0.8298(7) 0.4000(4) 0.6557(3) 0.0418(17) Uani 1 1 d . . . . .
H8A H 0.807304 0.375823 0.690457 0.050 Uiso 1 1 calc R U . . .
H8B H 0.909530 0.385474 0.658549 0.050 Uiso 1 1 calc R U . . .
C9 C 0.7551(6) 0.3686(4) 0.5947(3) 0.0325(14) Uani 1 1 d . . . . .
C10 C 0.6741(5) 0.2889(4) 0.5306(3) 0.0310(14) Uani 1 1 d . . . . .
C11 C 0.6339(6) 0.2192(4) 0.4988(3) 0.0392(16) Uani 1 1 d . . . . .
C12 C 0.6614(8) 0.1513(4) 0.5293(4) 0.054(2) Uani 1 1 d . . . . .
H12 H 0.707991 0.148931 0.570743 0.065 Uiso 1 1 calc R U . . .
C13 C 0.6178(9) 0.0876(5) 0.4966(5) 0.062(2) Uani 1 1 d . . . . .
H13 H 0.636866 0.041476 0.515224 0.074 Uiso 1 1 calc R U . . .
C14 C 0.5473(8) 0.0934(4) 0.4372(5) 0.056(2) Uani 1 1 d . . . . .
H14 H 0.514813 0.051327 0.415048 0.068 Uiso 1 1 calc R U . . .
C15 C 0.5236(7) 0.1626(4) 0.4093(4) 0.0470(18) Uani 1 1 d . . . . .
H15 H 0.475591 0.165472 0.368193 0.056 Uiso 1 1 calc DR U . . .
C16 C 1.0232(7) 0.8409(5) 0.6647(4) 0.051(2) Uani 1 1 d . . . . .
H16 H 0.988256 0.858665 0.695324 0.062 Uiso 1 1 calc R U . . .
C17 C 1.1227(7) 0.8753(5) 0.6581(4) 0.057(2) Uani 1 1 d . . . . .
H17 H 1.153699 0.915597 0.683236 0.068 Uiso 1 1 calc R U . . .
C18 C 1.1752(8) 0.8481(5) 0.6131(5) 0.066(3) Uani 1 1 d . . . . .
H18 H 1.243103 0.869737 0.608001 0.079 Uiso 1 1 calc R U . . .
C19 C 1.1268(7) 0.7893(5) 0.5761(4) 0.055(2) Uani 1 1 d . . . . .
H19 H 1.160941 0.770812 0.545358 0.066 Uiso 1 1 calc R U . . .
C20 C 1.0263(6) 0.7580(4) 0.5851(3) 0.0363(15) Uani 1 1 d . . . . .
C21 C 0.9707(6) 0.6942(4) 0.5466(3) 0.0341(14) Uani 1 1 d . . . . .
C22 C 0.9294(6) 0.6077(4) 0.4829(3) 0.0366(15) Uani 1 1 d . . . . .
C23 C 0.9382(7) 0.5553(4) 0.4321(4) 0.0470(19) Uani 1 1 d . . . . .
H23A H 0.939731 0.584415 0.394921 0.056 Uiso 1 1 calc R U . . .
H23B H 1.013334 0.531148 0.445924 0.056 Uiso 1 1 calc R U . . .
C24 C 0.8510(6) 0.4972(4) 0.4109(3) 0.0354(15) Uani 1 1 d . . . . .
C25 C 0.7659(6) 0.4087(4) 0.3579(3) 0.0337(14) Uani 1 1 d . . . . .
C26 C 0.7307(6) 0.3483(4) 0.3119(3) 0.0361(15) Uani 1 1 d . . . . .
C27 C 0.7924(7) 0.3335(4) 0.2675(4) 0.0471(18) Uani 1 1 d . . . . .
H27 H 0.858960 0.360284 0.267357 0.057 Uiso 1 1 calc R U . . .
C28 C 0.7539(8) 0.2789(5) 0.2240(4) 0.058(2) Uani 1 1 d . . . . .
H28 H 0.793429 0.268534 0.193369 0.070 Uiso 1 1 calc R U . . .
C29 C 0.6561(8) 0.2393(5) 0.2259(4) 0.059(2) Uani 1 1 d . . . . .
H29 H 0.628038 0.202093 0.196476 0.070 Uiso 1 1 calc R U . . .
C30 C 0.6003(7) 0.2561(5) 0.2728(4) 0.054(2) Uani 1 1 d . . . . .
H30 H 0.535473 0.228542 0.274864 0.065 Uiso 1 1 calc R U . . .
C31 C 0.7599(9) 0.9109(5) 0.6522(6) 0.068(3) Uani 1 1 d . U . . .
C32 C 0.7819(13) 0.9684(6) 0.7045(7) 0.114(4) Uani 1 1 d . U . . .
H32A H 0.726925 0.962144 0.729513 0.171 Uiso 1 1 calc R U . . .
H32B H 0.773332 1.016846 0.685950 0.171 Uiso 1 1 calc R U . . .
H32C H 0.859526 0.962781 0.731248 0.171 Uiso 1 1 calc R U . . .
C33 C 0.7253(15) 0.8023(8) 0.4728(5) 0.120(4) Uani 1 1 d D U . . .
H33A H 0.805029 0.814492 0.473382 0.144 Uiso 1 1 calc R U . . .
H33B H 0.711570 0.751909 0.457619 0.144 Uiso 1 1 calc R U . . .
C34 C 0.6522(19) 0.8481(11) 0.4290(7) 0.186(7) Uani 1 1 d . U . . .
H34A H 0.662540 0.839016 0.387425 0.279 Uiso 1 1 calc R U . . .
H34B H 0.670564 0.898737 0.440509 0.279 Uiso 1 1 calc R U . . .
H34C H 0.572772 0.838426 0.428941 0.279 Uiso 1 1 calc R U . . .
C35 C 0.5800(11) 0.6176(6) 0.3681(5) 0.081(3) Uani 1 1 d . U . . .
H35A H 0.500260 0.631820 0.348154 0.097 Uiso 1 1 calc R U . A 1
H35B H 0.588053 0.566233 0.357284 0.097 Uiso 1 1 calc R U . A 1
C36 C 0.6556(13) 0.6611(8) 0.3392(6) 0.112(4) Uani 1 1 d . U . . .
H36A H 0.635775 0.712421 0.340057 0.168 Uiso 1 1 calc R U . . .
H36B H 0.645534 0.645685 0.295882 0.168 Uiso 1 1 calc R U . . .
H36C H 0.735217 0.653983 0.362448 0.168 Uiso 1 1 calc R U . . .
C37 C 0.4225(15) 0.4346(8) 0.2364(6) 0.128(5) Uani 1 1 d D U . . .
H37A H 0.483990 0.410324 0.222145 0.153 Uiso 1 1 calc R U . . .
H37B H 0.356029 0.401543 0.226881 0.153 Uiso 1 1 calc R U . . .
C38 C 0.3922(17) 0.4955(9) 0.2011(7) 0.156(6) Uani 1 1 d . U . . .
H38A H 0.445013 0.502762 0.174968 0.234 Uiso 1 1 calc R U . . .
H38B H 0.395516 0.537360 0.228571 0.234 Uiso 1 1 calc R U . . .
H38C H 0.314470 0.489992 0.174606 0.234 Uiso 1 1 calc R U . . .
O8 O 0.4878(13) 0.5797(6) 0.3332(5) 0.068(3) Uani 0.5 1 d . U P B 2
O10 O 0.9487(16) 0.9812(11) 0.5011(11) 0.137(5) Uani 0.586(13) 1 d . . P C 1
O10A O 0.901(2) 1.0167(15) 0.5423(15) 0.137(5) Uani 0.414(13) 1 d . . P C 2
H3A H 0.3600(19) 0.2583(10) 0.2956(9) 0.164 Uiso 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy3 3.7368(6) 3_666 ?
Dy1 O1 2.360(4) . ?
Dy1 O3 2.281(4) 3_666 ?
Dy1 O4 2.362(5) . ?
Dy1 O6 2.371(5) . ?
Dy1 N1 2.620(6) . ?
Dy1 N2 2.425(5) . ?
Dy1 N9 2.609(6) . ?
Dy1 N10 2.434(5) . ?
Dy2 Dy2 3.9706(7) 3_666 ?
Dy2 Dy3 3.8218(5) 3_666 ?
Dy2 O1 2.403(4) . ?
Dy2 O2 2.442(4) . ?
Dy2 O2 2.394(4) 3_666 ?
Dy2 O7 2.371(5) . ?
Dy2 N3 2.524(5) . ?
Dy2 N5 2.485(5) . ?
Dy2 N11 2.518(5) . ?
Dy2 N13 2.494(5) . ?
Dy3 O1 2.359(4) 3_666 ?
Dy3 O2 2.354(4) . ?
Dy3 O3 2.271(5) . ?
Dy3 O9 2.403(5) . ?
Dy3 N6 2.434(5) . ?
Dy3 N8 2.660(6) . ?
Dy3 N14 2.428(5) . ?
Dy3 N16 2.611(5) . ?
O1 H1A 0.8502 . ?
O2 H2A 0.8500 . ?
O3 H3A 0.922(18) . ?
O4 C31 1.261(11) . ?
O5 C31 1.287(13) . ?
O6 H6 0.854(10) . ?
O6 C33 1.442(13) . ?
O7 C35 1.227(11) . ?
O9 H9 0.859(10) . ?
O9 C37 1.404(13) . ?
N1 C1 1.341(9) . ?
N1 C5 1.348(9) . ?
N2 N3 1.364(7) . ?
N2 C6 1.319(9) . ?
N3 C7 1.339(8) . ?
N4 C6 1.351(9) . ?
N4 C7 1.334(8) . ?
N5 N6 1.373(7) . ?
N5 C9 1.327(8) . ?
N6 C10 1.340(8) . ?
N7 C9 1.347(9) . ?
N7 C10 1.322(8) . ?
N8 C11 1.353(9) . ?
N8 C15 1.334(9) . ?
N9 C16 1.342(9) . ?
N9 C20 1.351(9) . ?
N10 N11 1.374(7) . ?
N10 C21 1.328(8) . ?
N11 C22 1.353(8) . ?
N12 C21 1.324(9) . ?
N12 C22 1.339(9) . ?
N13 N14 1.378(7) . ?
N13 C24 1.339(8) . ?
N14 C25 1.330(8) . ?
N15 C24 1.346(8) . ?
N15 C25 1.334(9) . ?
N16 C26 1.337(9) . ?
N16 C30 1.345(9) . ?
C1 H1 0.9300 . ?
C1 C2 1.379(11) . ?
C2 H2 0.9300 . ?
C2 C3 1.359(12) . ?
C3 H3 0.9300 . ?
C3 C4 1.377(11) . ?
C4 H4 0.9300 . ?
C4 C5 1.387(10) . ?
C5 C6 1.474(10) . ?
C7 C8 1.475(9) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.504(9) . ?
C10 C11 1.460(10) . ?
C11 C12 1.395(11) . ?
C12 H12 0.9300 . ?
C12 C13 1.385(12) . ?
C13 H13 0.9300 . ?
C13 C14 1.351(13) . ?
C14 H14 0.9300 . ?
C14 C15 1.390(12) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C16 C17 1.377(11) . ?
C17 H17 0.9300 . ?
C17 C18 1.381(12) . ?
C18 H18 0.9300 . ?
C18 C19 1.369(12) . ?
C19 H19 0.9300 . ?
C19 C20 1.383(10) . ?
C20 C21 1.479(10) . ?
C22 C23 1.482(10) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.465(10) . ?
C25 C26 1.468(9) . ?
C26 C27 1.382(9) . ?
C27 H27 0.9300 . ?
C27 C28 1.363(11) . ?
C28 H28 0.9300 . ?
C28 C29 1.377(12) . ?
C29 H29 0.9300 . ?
C29 C30 1.388(11) . ?
C30 H30 0.9300 . ?
C31 C32 1.516(14) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 C34 1.387(19) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.457(16) . ?
C35 O8 1.348(17) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C37 C38 1.339(18) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
O10 O10 1.41(3) 3_776 ?

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 Dy3 37.63(10) . 3_666 ?
O1 Dy1 O4 130.52(17) . . ?
O1 Dy1 O6 77.14(17) . . ?
O1 Dy1 N1 132.58(16) . . ?
O1 Dy1 N2 73.69(16) . . ?
O1 Dy1 N9 137.13(16) . . ?
O1 Dy1 N10 74.70(16) . . ?
O3 Dy1 Dy3 34.74(11) 3_666 3_666 ?
O3 Dy1 O1 72.34(15) 3_666 . ?
O3 Dy1 O4 80.08(17) 3_666 . ?
O3 Dy1 O6 109.69(19) 3_666 . ?
O3 Dy1 N1 78.49(17) 3_666 . ?
O3 Dy1 N2 81.01(18) 3_666 . ?
O3 Dy1 N9 150.40(17) 3_666 . ?
O3 Dy1 N10 142.13(17) 3_666 . ?
O4 Dy1 Dy3 106.95(13) . 3_666 ?
O4 Dy1 O6 74.66(19) . . ?
O4 Dy1 N1 77.82(19) . . ?
O4 Dy1 N2 141.18(18) . . ?
O4 Dy1 N9 76.15(19) . . ?
O4 Dy1 N10 136.87(18) . . ?
O6 Dy1 Dy3 95.79(15) . 3_666 ?
O6 Dy1 N1 149.18(19) . . ?
O6 Dy1 N2 143.99(18) . . ?
O6 Dy1 N9 80.7(2) . . ?
O6 Dy1 N10 80.12(19) . . ?
N1 Dy1 Dy3 105.32(13) . 3_666 ?
N2 Dy1 Dy3 73.27(13) . 3_666 ?
N2 Dy1 N1 65.34(18) . . ?
N2 Dy1 N9 107.18(19) . . ?
N2 Dy1 N10 72.22(18) . . ?
N9 Dy1 Dy3 174.67(13) . 3_666 ?
N9 Dy1 N1 79.46(18) . . ?
N10 Dy1 Dy3 109.96(13) . 3_666 ?
N10 Dy1 N1 112.21(19) . . ?
N10 Dy1 N9 65.57(18) . . ?
Dy3 Dy2 Dy2 64.664(11) 3_666 3_666 ?
O1 Dy2 Dy2 96.19(10) . 3_666 ?
O1 Dy2 Dy3 36.23(10) . 3_666 ?
O1 Dy2 O2 118.35(13) . . ?
O1 Dy2 N3 75.74(15) . . ?
O1 Dy2 N5 139.60(15) . . ?
O1 Dy2 N11 76.56(15) . . ?
O1 Dy2 N13 139.58(16) . . ?
O2 Dy2 Dy2 34.42(9) . 3_666 ?
O2 Dy2 Dy2 35.20(9) 3_666 3_666 ?
O2 Dy2 Dy3 95.57(9) . 3_666 ?
O2 Dy2 Dy3 36.05(9) 3_666 3_666 ?
O2 Dy2 O1 72.21(14) 3_666 . ?
O2 Dy2 O2 69.63(15) 3_666 . ?
O2 Dy2 N3 140.29(15) . . ?
O2 Dy2 N3 81.91(15) 3_666 . ?
O2 Dy2 N5 77.81(15) . . ?
O2 Dy2 N5 81.21(15) 3_666 . ?
O2 Dy2 N11 142.34(15) . . ?
O2 Dy2 N11 144.70(15) 3_666 . ?
O2 Dy2 N13 145.05(16) 3_666 . ?
O2 Dy2 N13 79.35(15) . . ?
O7 Dy2 Dy2 90.15(13) . 3_666 ?
O7 Dy2 Dy3 89.97(12) . 3_666 ?
O7 Dy2 O1 71.63(16) . . ?
O7 Dy2 O2 74.65(16) . . ?
O7 Dy2 O2 105.92(16) . 3_666 ?
O7 Dy2 N3 141.80(18) . . ?
O7 Dy2 N5 146.68(17) . . ?
O7 Dy2 N11 78.81(18) . . ?
O7 Dy2 N13 80.00(18) . . ?
N3 Dy2 Dy2 112.85(12) . 3_666 ?
N3 Dy2 Dy3 74.57(12) . 3_666 ?
N5 Dy2 Dy2 77.17(12) . 3_666 ?
N5 Dy2 Dy3 111.18(12) . 3_666 ?
N5 Dy2 N3 70.76(17) . . ?
N5 Dy2 N11 114.38(17) . . ?
N5 Dy2 N13 76.78(17) . . ?
N11 Dy2 Dy2 168.22(13) . 3_666 ?
N11 Dy2 Dy3 110.78(12) . 3_666 ?
N11 Dy2 N3 74.74(17) . . ?
N13 Dy2 Dy2 112.37(13) . 3_666 ?
N13 Dy2 Dy3 169.64(13) . 3_666 ?
N13 Dy2 N3 115.07(18) . . ?
N13 Dy2 N11 70.03(17) . . ?
Dy1 Dy3 Dy2 67.891(11) 3_666 3_666 ?
O1 Dy3 Dy1 37.64(10) 3_666 3_666 ?
O1 Dy3 Dy2 37.01(10) 3_666 3_666 ?
O1 Dy3 O9 111.87(18) 3_666 . ?
O1 Dy3 N6 80.67(16) 3_666 . ?
O1 Dy3 N8 78.96(15) 3_666 . ?
O1 Dy3 N14 144.39(15) 3_666 . ?
O1 Dy3 N16 148.64(16) 3_666 . ?
O2 Dy3 Dy1 101.86(10) . 3_666 ?
O2 Dy3 Dy2 36.76(9) . 3_666 ?
O2 Dy3 O1 73.71(14) . 3_666 ?
O2 Dy3 O9 76.87(16) . . ?
O2 Dy3 N6 74.74(16) . . ?
O2 Dy3 N8 134.11(15) . . ?
O2 Dy3 N14 76.55(15) . . ?
O2 Dy3 N16 136.90(16) . . ?
O3 Dy3 Dy1 34.92(11) . 3_666 ?
O3 Dy3 Dy2 100.01(11) . 3_666 ?
O3 Dy3 O1 72.53(15) . 3_666 ?
O3 Dy3 O2 127.20(15) . . ?
O3 Dy3 O9 79.55(19) . . ?
O3 Dy3 N6 135.85(18) . . ?
O3 Dy3 N8 75.84(17) . . ?
O3 Dy3 N14 142.72(16) . . ?
O3 Dy3 N16 80.10(17) . . ?
O9 Dy3 Dy1 95.11(15) . 3_666 ?
O9 Dy3 Dy2 93.73(14) . 3_666 ?
O9 Dy3 N6 144.02(19) . . ?
O9 Dy3 N8 148.55(18) . . ?
O9 Dy3 N14 79.4(2) . . ?
O9 Dy3 N16 76.97(19) . . ?
N6 Dy3 Dy1 111.95(13) . 3_666 ?
N6 Dy3 Dy2 76.21(13) . 3_666 ?
N6 Dy3 N8 64.87(18) . . ?
N6 Dy3 N16 110.37(18) . . ?
N8 Dy3 Dy1 75.44(12) . 3_666 ?
N8 Dy3 Dy2 109.49(12) . 3_666 ?
N14 Dy3 Dy1 174.45(13) . 3_666 ?
N14 Dy3 Dy2 111.72(12) . 3_666 ?
N14 Dy3 N6 72.92(18) . . ?
N14 Dy3 N8 109.54(18) . . ?
N14 Dy3 N16 65.37(17) . . ?
N16 Dy3 Dy1 114.06(13) . 3_666 ?
N16 Dy3 Dy2 170.56(13) . 3_666 ?
N16 Dy3 N8 79.76(18) . . ?
Dy1 O1 Dy2 124.84(17) . . ?
Dy1 O1 H1A 106.4 . . ?
Dy2 O1 H1A 106.5 . . ?
Dy3 O1 Dy1 104.73(15) 3_666 . ?
Dy3 O1 Dy2 106.77(16) 3_666 . ?
Dy3 O1 H1A 106.4 3_666 . ?
Dy2 O2 Dy2 110.37(14) 3_666 . ?
Dy2 O2 H2A 105.8 . . ?
Dy2 O2 H2A 105.8 3_666 . ?
Dy3 O2 Dy2 120.77(16) . . ?
Dy3 O2 Dy2 107.19(15) . 3_666 ?
Dy3 O2 H2A 105.8 . . ?
Dy1 O3 H3A 100.4(12) 3_666 . ?
Dy3 O3 Dy1 110.33(18) . 3_666 ?
Dy3 O3 H3A 147.9(13) . . ?
C31 O4 Dy1 139.4(6) . . ?
Dy1 O6 H6 113(3) . . ?
C33 O6 Dy1 134.6(7) . . ?
C33 O6 H6 107(2) . . ?
C35 O7 Dy2 134.6(6) . . ?
Dy3 O9 H9 115(2) . . ?
C37 O9 Dy3 137.5(7) . . ?
C37 O9 H9 107(2) . . ?
C1 N1 Dy1 126.8(5) . . ?
C1 N1 C5 116.4(6) . . ?
C5 N1 Dy1 116.7(4) . . ?
N3 N2 Dy1 131.9(4) . . ?
C6 N2 Dy1 121.3(4) . . ?
C6 N2 N3 106.5(5) . . ?
N2 N3 Dy2 118.7(4) . . ?
C7 N3 Dy2 136.5(4) . . ?
C7 N3 N2 104.7(5) . . ?
C7 N4 C6 101.5(5) . . ?
N6 N5 Dy2 117.1(3) . . ?
C9 N5 Dy2 138.2(4) . . ?
C9 N5 N6 104.5(5) . . ?
N5 N6 Dy3 132.4(4) . . ?
C10 N6 Dy3 121.7(4) . . ?
C10 N6 N5 105.5(5) . . ?
C10 N7 C9 101.3(5) . . ?
C11 N8 Dy3 116.5(4) . . ?
C15 N8 Dy3 126.5(5) . . ?
C15 N8 C11 116.8(6) . . ?
C16 N9 Dy1 126.0(5) . . ?
C16 N9 C20 117.3(6) . . ?
C20 N9 Dy1 116.1(4) . . ?
N11 N10 Dy1 132.5(4) . . ?
C21 N10 Dy1 121.5(4) . . ?
C21 N10 N11 105.7(5) . . ?
N10 N11 Dy2 117.8(4) . . ?
C22 N11 Dy2 137.9(4) . . ?
C22 N11 N10 104.3(5) . . ?
C21 N12 C22 101.7(5) . . ?
N14 N13 Dy2 116.1(4) . . ?
C24 N13 Dy2 138.7(4) . . ?
C24 N13 N14 105.2(5) . . ?
N13 N14 Dy3 133.4(4) . . ?
C25 N14 Dy3 121.2(4) . . ?
C25 N14 N13 105.3(5) . . ?
C25 N15 C24 101.7(5) . . ?
C26 N16 Dy3 116.7(4) . . ?
C26 N16 C30 117.1(6) . . ?
C30 N16 Dy3 125.6(5) . . ?
N1 C1 H1 118.1 . . ?
N1 C1 C2 123.9(8) . . ?
C2 C1 H1 118.1 . . ?
C1 C2 H2 121.0 . . ?
C3 C2 C1 117.9(8) . . ?
C3 C2 H2 121.0 . . ?
C2 C3 H3 119.5 . . ?
C2 C3 C4 120.9(8) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 H4 121.4 . . ?
C3 C4 C5 117.2(8) . . ?
C5 C4 H4 121.4 . . ?
N1 C5 C4 123.7(7) . . ?
N1 C5 C6 115.1(6) . . ?
C4 C5 C6 121.2(7) . . ?
N2 C6 N4 113.3(6) . . ?
N2 C6 C5 121.0(6) . . ?
N4 C6 C5 125.6(6) . . ?
N3 C7 C8 127.2(6) . . ?
N4 C7 N3 114.0(6) . . ?
N4 C7 C8 118.8(6) . . ?
C7 C8 H8A 107.4 . . ?
C7 C8 H8B 107.4 . . ?
C7 C8 C9 119.8(6) . . ?
H8A C8 H8B 106.9 . . ?
C9 C8 H8A 107.4 . . ?
C9 C8 H8B 107.4 . . ?
N5 C9 N7 114.5(6) . . ?
N5 C9 C8 126.5(6) . . ?
N7 C9 C8 118.9(6) . . ?
N6 C10 C11 121.2(6) . . ?
N7 C10 N6 114.1(6) . . ?
N7 C10 C11 124.7(6) . . ?
N8 C11 C10 115.4(6) . . ?
N8 C11 C12 122.6(7) . . ?
C12 C11 C10 122.0(7) . . ?
C11 C12 H12 120.6 . . ?
C13 C12 C11 118.7(8) . . ?
C13 C12 H12 120.6 . . ?
C12 C13 H13 120.5 . . ?
C14 C13 C12 118.9(8) . . ?
C14 C13 H13 120.5 . . ?
C13 C14 H14 120.2 . . ?
C13 C14 C15 119.6(8) . . ?
C15 C14 H14 120.2 . . ?
N8 C15 C14 123.3(8) . . ?
N8 C15 H15 118.3 . . ?
C14 C15 H15 118.3 . . ?
N9 C16 H16 118.3 . . ?
N9 C16 C17 123.4(7) . . ?
C17 C16 H16 118.3 . . ?
C16 C17 H17 120.9 . . ?
C16 C17 C18 118.2(8) . . ?
C18 C17 H17 120.9 . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.8(8) . . ?
C19 C18 H18 120.1 . . ?
C18 C19 H19 120.6 . . ?
C18 C19 C20 118.8(8) . . ?
C20 C19 H19 120.6 . . ?
N9 C20 C19 122.6(7) . . ?
N9 C20 C21 116.4(6) . . ?
C19 C20 C21 121.0(7) . . ?
N10 C21 C20 119.5(6) . . ?
N12 C21 N10 114.7(6) . . ?
N12 C21 C20 125.8(6) . . ?
N11 C22 C23 125.7(6) . . ?
N12 C22 N11 113.7(6) . . ?
N12 C22 C23 120.6(6) . . ?
C22 C23 H23A 107.1 . . ?
C22 C23 H23B 107.1 . . ?
H23A C23 H23B 106.8 . . ?
C24 C23 C22 120.9(6) . . ?
C24 C23 H23A 107.1 . . ?
C24 C23 H23B 107.1 . . ?
N13 C24 N15 113.5(6) . . ?
N13 C24 C23 126.7(6) . . ?
N15 C24 C23 119.7(6) . . ?
N14 C25 N15 114.3(6) . . ?
N14 C25 C26 120.3(6) . . ?
N15 C25 C26 125.4(6) . . ?
N16 C26 C25 115.9(6) . . ?
N16 C26 C27 123.3(6) . . ?
C27 C26 C25 120.8(6) . . ?
C26 C27 H27 120.5 . . ?
C28 C27 C26 118.9(7) . . ?
C28 C27 H27 120.5 . . ?
C27 C28 H28 120.3 . . ?
C27 C28 C29 119.4(7) . . ?
C29 C28 H28 120.3 . . ?
C28 C29 H29 120.8 . . ?
C28 C29 C30 118.4(7) . . ?
C30 C29 H29 120.8 . . ?
N16 C30 C29 122.9(8) . . ?
N16 C30 H30 118.5 . . ?
C29 C30 H30 118.5 . . ?
O4 C31 O5 123.3(9) . . ?
O4 C31 C32 116.9(10) . . ?
O5 C31 C32 119.8(10) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O6 C33 H33A 108.0 . . ?
O6 C33 H33B 108.0 . . ?
H33A C33 H33B 107.3 . . ?
C34 C33 O6 117.0(14) . . ?
C34 C33 H33A 108.0 . . ?
C34 C33 H33B 108.0 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O7 C35 H35A 107.6 . . ?
O7 C35 H35B 107.6 . . ?
O7 C35 C36 118.8(12) . . ?
O7 C35 O8 118.6(11) . . ?
H35A C35 H35B 107.0 . . ?
C36 C35 H35A 107.6 . . ?
C36 C35 H35B 107.6 . . ?
O8 C35 C36 122.3(11) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O9 C37 H37A 107.6 . . ?
O9 C37 H37B 107.6 . . ?
H37A C37 H37B 107.0 . . ?
C38 C37 O9 118.8(13) . . ?
C38 C37 H37A 107.6 . . ?
C38 C37 H37B 107.6 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O4 C31 O5 11.4(16) . . . . ?
Dy1 O4 C31 C32 -166.2(8) . . . . ?
Dy1 O6 C33 C34 161.5(12) . . . . ?
Dy1 N1 C1 C2 179.9(6) . . . . ?
Dy1 N1 C5 C4 -179.9(6) . . . . ?
Dy1 N1 C5 C6 -2.1(8) . . . . ?
Dy1 N2 N3 Dy2 -5.7(7) . . . . ?
Dy1 N2 N3 C7 174.0(4) . . . . ?
Dy1 N2 C6 N4 -174.7(4) . . . . ?
Dy1 N2 C6 C5 8.5(9) . . . . ?
Dy1 N9 C16 C17 -171.1(7) . . . . ?
Dy1 N9 C20 C19 172.5(6) . . . . ?
Dy1 N9 C20 C21 -7.9(8) . . . . ?
Dy1 N10 N11 Dy2 -5.1(7) . . . . ?
Dy1 N10 N11 C22 172.9(5) . . . . ?
Dy1 N10 C21 N12 -173.1(5) . . . . ?
Dy1 N10 C21 C20 6.1(8) . . . . ?
Dy2 O7 C35 C36 -111.4(11) . . . . ?
Dy2 O7 C35 O8 75.3(12) . . . . ?
Dy2 N3 C7 N4 179.0(4) . . . . ?
Dy2 N3 C7 C8 0.4(11) . . . . ?
Dy2 N5 N6 Dy3 3.9(7) . . . . ?
Dy2 N5 N6 C10 176.9(4) . . . . ?
Dy2 N5 C9 N7 -176.6(5) . . . . ?
Dy2 N5 C9 C8 5.1(11) . . . . ?
Dy2 N11 C22 N12 177.4(5) . . . . ?
Dy2 N11 C22 C23 -2.0(12) . . . . ?
Dy2 N13 N14 Dy3 2.0(7) . . . . ?
Dy2 N13 N14 C25 177.5(4) . . . . ?
Dy2 N13 C24 N15 -176.7(5) . . . . ?
Dy2 N13 C24 C23 1.8(12) . . . . ?
Dy3 O9 C37 C38 177.6(12) . . . . ?
Dy3 N6 C10 N7 174.7(4) . . . . ?
Dy3 N6 C10 C11 -6.0(8) . . . . ?
Dy3 N8 C11 C10 -0.8(7) . . . . ?
Dy3 N8 C11 C12 177.7(6) . . . . ?
Dy3 N8 C15 C14 -176.9(6) . . . . ?
Dy3 N14 C25 N15 176.5(4) . . . . ?
Dy3 N14 C25 C26 -2.8(8) . . . . ?
Dy3 N16 C26 C25 6.9(8) . . . . ?
Dy3 N16 C26 C27 -172.0(6) . . . . ?
Dy3 N16 C30 C29 169.5(7) . . . . ?
N1 C1 C2 C3 -0.3(14) . . . . ?
N1 C5 C6 N2 -3.8(10) . . . . ?
N1 C5 C6 N4 179.8(7) . . . . ?
N2 N3 C7 N4 -0.6(7) . . . . ?
N2 N3 C7 C8 -179.2(7) . . . . ?
N3 N2 C6 N4 -0.4(8) . . . . ?
N3 N2 C6 C5 -177.3(6) . . . . ?
N3 C7 C8 C9 -8.5(11) . . . . ?
N4 C7 C8 C9 173.1(6) . . . . ?
N5 N6 C10 N7 0.8(7) . . . . ?
N5 N6 C10 C11 180.0(6) . . . . ?
N6 N5 C9 N7 -0.6(7) . . . . ?
N6 N5 C9 C8 -178.8(6) . . . . ?
N6 C10 C11 N8 4.4(9) . . . . ?
N6 C10 C11 C12 -174.1(7) . . . . ?
N7 C10 C11 N8 -176.5(6) . . . . ?
N7 C10 C11 C12 5.0(11) . . . . ?
N8 C11 C12 C13 0.1(12) . . . . ?
N9 C16 C17 C18 -0.8(15) . . . . ?
N9 C20 C21 N10 1.7(10) . . . . ?
N9 C20 C21 N12 -179.1(7) . . . . ?
N10 N11 C22 N12 0.1(8) . . . . ?
N10 N11 C22 C23 -179.3(7) . . . . ?
N11 N10 C21 N12 1.6(8) . . . . ?
N11 N10 C21 C20 -179.1(6) . . . . ?
N11 C22 C23 C24 -0.1(12) . . . . ?
N12 C22 C23 C24 -179.5(7) . . . . ?
N13 N14 C25 N15 0.3(8) . . . . ?
N13 N14 C25 C26 -179.0(6) . . . . ?
N14 N13 C24 N15 0.5(8) . . . . ?
N14 N13 C24 C23 179.0(7) . . . . ?
N14 C25 C26 N16 -3.1(10) . . . . ?
N14 C25 C26 C27 175.8(7) . . . . ?
N15 C25 C26 N16 177.7(7) . . . . ?
N15 C25 C26 C27 -3.4(11) . . . . ?
N16 C26 C27 C28 1.5(12) . . . . ?
C1 N1 C5 C4 -1.4(11) . . . . ?
C1 N1 C5 C6 176.4(7) . . . . ?
C1 C2 C3 C4 -1.3(14) . . . . ?
C2 C3 C4 C5 1.4(14) . . . . ?
C3 C4 C5 N1 -0.1(13) . . . . ?
C3 C4 C5 C6 -177.7(8) . . . . ?
C4 C5 C6 N2 174.0(7) . . . . ?
C4 C5 C6 N4 -2.4(12) . . . . ?
C5 N1 C1 C2 1.6(12) . . . . ?
C6 N2 N3 Dy2 -179.1(4) . . . . ?
C6 N2 N3 C7 0.6(7) . . . . ?
C6 N4 C7 N3 0.3(8) . . . . ?
C6 N4 C7 C8 179.0(6) . . . . ?
C7 N4 C6 N2 0.1(8) . . . . ?
C7 N4 C6 C5 176.7(7) . . . . ?
C7 C8 C9 N5 6.0(11) . . . . ?
C7 C8 C9 N7 -172.2(7) . . . . ?
C9 N5 N6 Dy3 -173.1(4) . . . . ?
C9 N5 N6 C10 -0.1(6) . . . . ?
C9 N7 C10 N6 -1.1(8) . . . . ?
C9 N7 C10 C11 179.7(6) . . . . ?
C10 N7 C9 N5 1.0(8) . . . . ?
C10 N7 C9 C8 179.4(6) . . . . ?
C10 C11 C12 C13 178.5(7) . . . . ?
C11 N8 C15 C14 -1.3(11) . . . . ?
C11 C12 C13 C14 -2.2(13) . . . . ?
C12 C13 C14 C15 2.5(14) . . . . ?
C13 C14 C15 N8 -0.7(13) . . . . ?
C15 N8 C11 C10 -176.9(6) . . . . ?
C15 N8 C11 C12 1.6(10) . . . . ?
C16 N9 C20 C19 0.3(11) . . . . ?
C16 N9 C20 C21 179.9(7) . . . . ?
C16 C17 C18 C19 1.0(15) . . . . ?
C17 C18 C19 C20 -0.5(15) . . . . ?
C18 C19 C20 N9 -0.1(13) . . . . ?
C18 C19 C20 C21 -179.8(8) . . . . ?
C19 C20 C21 N10 -178.6(7) . . . . ?
C19 C20 C21 N12 0.5(11) . . . . ?
C20 N9 C16 C17 0.2(12) . . . . ?
C21 N10 N11 Dy2 -179.0(4) . . . . ?
C21 N10 N11 C22 -1.0(7) . . . . ?
C21 N12 C22 N11 0.8(8) . . . . ?
C21 N12 C22 C23 -179.7(7) . . . . ?
C22 N12 C21 N10 -1.5(8) . . . . ?
C22 N12 C21 C20 179.3(7) . . . . ?
C22 C23 C24 N13 0.2(12) . . . . ?
C22 C23 C24 N15 178.6(7) . . . . ?
C24 N13 N14 Dy3 -176.0(5) . . . . ?
C24 N13 N14 C25 -0.4(7) . . . . ?
C24 N15 C25 N14 0.0(8) . . . . ?
C24 N15 C25 C26 179.3(7) . . . . ?
C25 N15 C24 N13 -0.3(8) . . . . ?
C25 N15 C24 C23 -178.9(7) . . . . ?
C25 C26 C27 C28 -177.3(8) . . . . ?
C26 N16 C30 C29 -1.2(13) . . . . ?
C26 C27 C28 C29 -1.0(14) . . . . ?
C27 C28 C29 C30 -0.5(15) . . . . ?
C28 C29 C30 N16 1.7(15) . . . . ?
C30 N16 C26 C25 178.5(7) . . . . ?
C30 N16 C26 C27 -0.4(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
