# 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 2020

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1955473'
loop_
_audit_author_name
_audit_author_address
'Zhilei Wu'
;Hebei University
China
;
_audit_update_record             
;
2020-05-03 deposited with the CCDC.	2020-05-04 downloaded from the CCDC.
;
_audit_creation_date             2020-04-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C120 H94 Dy4 N6 O22, 4(C H4 O)'
_chemical_formula_sum            'C124 H110 Dy4 N6 O26'
_chemical_formula_weight         2750.17
_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                   14.2043(10)
_cell_length_b                   15.2626(12)
_cell_length_c                   16.5652(14)
_cell_angle_alpha                96.328(3)
_cell_angle_beta                 111.526(3)
_cell_angle_gamma                114.217(3)
_cell_volume                     2899.3(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9949
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.45
_cell_measurement_theta_min      2.37
_shelx_estimated_absorpt_T_max   0.761
_shelx_estimated_absorpt_T_min   0.572
_exptl_absorpt_coefficient_mu    2.623
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5152
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0931 before and 0.0643 after correction.
The Ratio of minimum to maximum transmission is 0.6912.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0930
_diffrn_reflns_av_unetI/netI     0.0828
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            43601
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.022
_diffrn_reflns_theta_min         2.368
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7614
_reflns_number_total             11339
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.940
_refine_diff_density_min         -1.183
_refine_diff_density_rms         0.187
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     730
_refine_ls_number_reflns         11339
_refine_ls_number_restraints     50
_refine_ls_R_factor_all          0.0918
_refine_ls_R_factor_gt           0.0497
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0735P)²+2.6421P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1196
_refine_ls_wR_factor_ref         0.1421
_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) groups
2. Restrained distances
 O11-H11
 0.87 with sigma of 0.01
 H13-H11
 2.2 with sigma of 0.02
 O9-H13
 2.5 with sigma of 0.02
 O4-H4
 0.87 with sigma of 0.01
 C60-H11
 1.887779 with sigma of 0.02
 Dy1-H11
 2.986666 with sigma of 0.02
 C14-H4
 1.891745 with sigma of 0.02
 Dy2-H4
 2.970423 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C15A) \\sim Ueq, Uanis(C16A) \\sim Ueq, Uanis(C17A) \\sim Ueq,
Uanis(C17B) \\sim Ueq, Uanis(C16B) \\sim Ueq, Uanis(C15B) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(O8) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C15A) = Uanis(C15B) = Uanis(C16B) = Uanis(C16A) = Uanis(C17A) =
Uanis(C17B)
4. Others
 Sof(H18A)=Sof(C15B)=Sof(H15B)=Sof(C16B)=Sof(H16B)=Sof(C17B)=Sof(H17B)=1-FVAR(1)
 Sof(H18)=Sof(C15A)=Sof(H15A)=Sof(C16A)=Sof(H16A)=Sof(C17A)=Sof(H17A)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B)
5.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C7(H7), C30(H30), C49(H49), C3(H3), C4(H4A), C12(H12), C11(H11A),
 C5(H5), C57(H57), C55(H55), C34(H34), C56(H56), C59(H59), C19(H19), C22(H22),
 C33(H33), C48(H48), C44(H44), C37(H37), C26(H26), C27(H27), C18(H18),
 C18(H18A), C43(H43), C29(H29), C25(H25), C58(H58), C41(H41), C31(H31),
 C52(H52), C47(H47), C40(H40), C28(H28), C42(H42), C32(H32), C45(H45), C46(H46),
  C15A(H15A), C16A(H16A), C17A(H17A), C15B(H15B), C16B(H16B), C17B(H17B)
5.c Idealised Me refined as rotating group:
 C60(H60A,H60B,H60C), C62(H62A,H62B,H62C), C61(H61A,H61B,H61C)
5.d Idealised tetrahedral OH refined as rotating group:
 O12(H12A), O13(H13)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.36474(3) 0.38316(2) 0.42184(2) 0.01833(11) Uani 1 1 d D . . . .
Dy2 Dy 0.25765(3) 0.19540(3) 0.19368(2) 0.02081(11) Uani 1 1 d D . . . .
O1 O 0.6187(4) 0.6390(3) 0.7162(3) 0.0197(11) Uani 1 1 d . . . . .
O9 O 0.3846(5) 0.1364(4) 0.2714(4) 0.0307(13) Uani 1 1 d D . . . .
O7 O 0.1998(4) 0.2562(4) 0.0732(4) 0.0266(12) Uani 1 1 d . . . . .
O5 O 0.2107(5) 0.3648(4) 0.4488(4) 0.0322(14) Uani 1 1 d . . . . .
O3 O 0.2600(4) 0.2147(3) 0.3358(3) 0.0213(11) Uani 1 1 d . . . . .
O11 O 0.5255(5) 0.3436(5) 0.4521(4) 0.0368(15) Uani 1 1 d D . . . .
H11 H 0.547(5) 0.345(5) 0.408(3) 0.055 Uiso 1 1 d DR . . . .
O8 O 0.0833(5) 0.1908(4) 0.1706(4) 0.0261(13) Uani 1 1 d . U . . .
O6 O 0.2761(5) 0.4628(4) 0.3385(4) 0.0279(13) Uani 1 1 d . . . . .
O4 O 0.1499(5) 0.0431(4) 0.0686(4) 0.0334(14) Uani 1 1 d D . . . .
H4 H 0.142(7) 0.0414(16) 0.0135(17) 0.050 Uiso 1 1 d DR . . . .
O10 O 0.3888(5) 0.2199(4) 0.1373(4) 0.0346(14) Uani 1 1 d . . . . .
O2 O 0.4813(4) 0.4714(3) 0.5711(3) 0.0203(11) Uani 1 1 d . . . . .
N1 N 0.3275(5) 0.2593(4) 0.5087(4) 0.0220(14) Uani 1 1 d . . . . .
C9 C 0.1687(6) 0.0389(5) 0.3106(5) 0.0232(17) Uani 1 1 d . . . . .
C8 C 0.2327(6) 0.1432(5) 0.3732(5) 0.0184(16) Uani 1 1 d . . . . .
O12 O 0.1033(5) 0.0102(4) -0.1011(4) 0.0403(15) Uani 1 1 d . . . . .
H12A H 0.056997 -0.050987 -0.131007 0.060 Uiso 1 1 calc GR . . . .
C10 C 0.1316(7) -0.0470(6) 0.3376(6) 0.0318(19) Uani 1 1 d . . . . .
H10 H 0.142830 -0.041697 0.398432 0.038 Uiso 1 1 calc R . . . .
N2 N 0.2598(5) 0.1556(4) 0.4586(4) 0.0222(14) Uani 1 1 d . . . . .
C13 C 0.1059(6) -0.0551(6) 0.1634(5) 0.0241(17) Uani 1 1 d . . . . .
C6 C 0.4183(6) 0.3722(5) 0.6636(5) 0.0213(16) Uani 1 1 d . . . . .
C7 C 0.3507(7) 0.2767(6) 0.5941(5) 0.0249(17) Uani 1 1 d . . . . .
H7 H 0.318949 0.219242 0.612535 0.030 Uiso 1 1 calc R . . . .
C2 C 0.5545(6) 0.5536(5) 0.7288(5) 0.0189(16) Uani 1 1 d . . . . .
O13 O 0.6109(6) 0.3395(5) 0.3238(5) 0.064(2) Uani 1 1 d . . . . .
H13 H 0.550548 0.310703 0.273683 0.097 Uiso 1 1 calc DGR . . . .
C53 C 0.4225(7) 0.1591(6) 0.1139(6) 0.0262(18) Uani 1 1 d . . . . .
C30 C 0.2232(7) 0.3592(7) -0.0531(7) 0.041(2) Uani 1 1 d . . . . .
H30 H 0.230769 0.300049 -0.058788 0.049 Uiso 1 1 calc R . . . .
C49 C 0.5857(8) 0.0473(8) 0.3213(7) 0.047(3) Uani 1 1 d . . . . .
H49 H 0.630744 0.087548 0.295534 0.057 Uiso 1 1 calc R . . . .
N3 N 0.1530(5) 0.0331(4) 0.2249(4) 0.0238(15) Uani 1 1 d . . . . .
C3 C 0.5539(6) 0.5493(6) 0.8112(5) 0.0229(17) Uani 1 1 d . . . . .
H3 H 0.599332 0.609160 0.861671 0.027 Uiso 1 1 calc R . . . .
C4 C 0.4871(7) 0.4574(6) 0.8219(5) 0.0288(18) Uani 1 1 d . . . . .
H4A H 0.487153 0.455577 0.879103 0.035 Uiso 1 1 calc R . . . .
C36 C 0.1532(7) 0.3128(6) 0.0612(6) 0.0275(19) Uani 1 1 d . . . . .
C12 C 0.0650(7) -0.1454(6) 0.1870(6) 0.034(2) Uani 1 1 d . . . . .
H12 H 0.028575 -0.209158 0.142867 0.040 Uiso 1 1 calc R . . . .
C60 C 0.5588(8) 0.2814(7) 0.4979(6) 0.041(2) Uani 1 1 d D . . . .
H60A H 0.512981 0.211740 0.457117 0.061 Uiso 1 1 calc GR . . . .
H60B H 0.545495 0.283930 0.551888 0.061 Uiso 1 1 calc GR . . . .
H60C H 0.641279 0.304871 0.516653 0.061 Uiso 1 1 calc GR . . . .
C11 C 0.0784(7) -0.1396(6) 0.2743(6) 0.034(2) Uani 1 1 d . . . . .
H11A H 0.051069 -0.199520 0.290743 0.041 Uiso 1 1 calc R . . . .
C5 C 0.4221(7) 0.3707(6) 0.7495(5) 0.0253(17) Uani 1 1 d . . . . .
H5 H 0.378767 0.308592 0.757419 0.030 Uiso 1 1 calc R . . . .
C57 C 0.4685(8) 0.1656(8) -0.1259(7) 0.045(2) Uani 1 1 d . . . . .
H57 H 0.478736 0.167640 -0.179356 0.054 Uiso 1 1 calc R . . . .
C35 C 0.1833(7) 0.3823(6) 0.0071(6) 0.032(2) Uani 1 1 d . . . . .
C55 C 0.4196(8) 0.0730(7) -0.0265(6) 0.038(2) Uani 1 1 d . . . . .
H55 H 0.396898 0.011588 -0.011765 0.046 Uiso 1 1 calc R . . . .
C34 C 0.1792(9) 0.4711(7) 0.0183(7) 0.047(3) Uani 1 1 d . . . . .
H34 H 0.154545 0.488844 0.060602 0.056 Uiso 1 1 calc R . . . .
C56 C 0.4320(8) 0.0766(7) -0.1050(7) 0.043(2) Uani 1 1 d . . . . .
H56 H 0.415148 0.016771 -0.145118 0.051 Uiso 1 1 calc R . . . .
C14 C 0.0962(7) -0.0577(5) 0.0698(5) 0.032(2) Uani 1 1 d D . . . .
H14A H 0.135044 -0.093574 0.054997 0.038 Uiso 1 1 calc R . . . .
H14B H 0.013716 -0.093745 0.023799 0.038 Uiso 1 1 calc R . . . .
C1 C 0.4821(6) 0.4635(5) 0.6513(5) 0.0207(16) Uani 1 1 d . . . . .
C50 C 0.4804(7) 0.0404(6) 0.3034(6) 0.032(2) Uani 1 1 d . . . . .
C59 C 0.4747(7) 0.2497(6) 0.0091(6) 0.0318(19) Uani 1 1 d . . . . .
H59 H 0.487486 0.309122 0.046865 0.038 Uiso 1 1 calc R . . . .
C38 C 0.0341(6) 0.2423(6) 0.1378(5) 0.0261(18) Uani 1 1 d . . . . .
C19 C -0.0423(8) 0.3732(8) 0.4472(7) 0.047(3) Uani 1 1 d . . . . .
H19 H -0.056488 0.409986 0.405760 0.056 Uiso 1 1 calc R . . . .
C22 C 0.1271(7) 0.4548(6) 0.3707(6) 0.034(2) Uani 1 1 d . . . . .
H22 H 0.070221 0.475618 0.360316 0.040 Uiso 1 1 calc R . . . .
C21 C 0.1348(7) 0.3946(6) 0.4276(6) 0.0301(19) Uani 1 1 d . . . . .
C24 C 0.1882(7) 0.5539(6) 0.2710(6) 0.0288(19) Uani 1 1 d . . . . .
C33 C 0.2105(10) 0.5343(8) -0.0310(9) 0.063(3) Uani 1 1 d . . . . .
H33 H 0.209060 0.596203 -0.021713 0.076 Uiso 1 1 calc R . . . .
C48 C 0.6270(9) -0.0027(9) 0.3755(7) 0.053(3) Uani 1 1 d . . . . .
H48 H 0.701199 0.004663 0.388009 0.064 Uiso 1 1 calc R . . . .
C44 C -0.0746(8) 0.2030(7) 0.2282(7) 0.038(2) Uani 1 1 d . . . . .
H44 H -0.016205 0.191582 0.268473 0.046 Uiso 1 1 calc R . . . .
C37 C 0.0737(6) 0.3087(5) 0.0924(6) 0.0262(18) Uani 1 1 d . . . . .
H37 H 0.044505 0.354505 0.082020 0.031 Uiso 1 1 calc R . . . .
C26 C 0.2787(9) 0.6763(8) 0.2049(8) 0.051(3) Uani 1 1 d . . . . .
H26 H 0.343744 0.714828 0.195616 0.062 Uiso 1 1 calc R . . . .
C27 C 0.1820(9) 0.6874(8) 0.1698(7) 0.051(3) Uani 1 1 d . . . . .
H27 H 0.180630 0.734842 0.137400 0.061 Uiso 1 1 calc R . . . .
C18 C -0.1175(9) 0.3362(8) 0.4837(8) 0.055(3) Uani 1 1 d . . . . .
H18 H -0.166150 0.363967 0.484604 0.066 Uiso 0.527(10) 1 calc R . P A 1
H18A H -0.194728 0.324774 0.454150 0.066 Uiso 0.473(10) 1 calc R . P A 2
C54 C 0.4405(6) 0.1605(6) 0.0319(6) 0.0279(18) Uani 1 1 d . . . . .
C51 C 0.4327(7) 0.0947(6) 0.2452(6) 0.0291(19) Uani 1 1 d . . . . .
C43 C -0.1682(8) 0.1905(7) 0.2450(7) 0.045(2) Uani 1 1 d . . . . .
H43 H -0.173233 0.171090 0.296450 0.054 Uiso 1 1 calc R . . . .
C29 C 0.0900(7) 0.5640(6) 0.2325(6) 0.039(2) Uani 1 1 d . . . . .
H29 H 0.024359 0.525480 0.241224 0.046 Uiso 1 1 calc R . . . .
C39 C -0.0659(7) 0.2313(6) 0.1548(6) 0.031(2) Uani 1 1 d . . . . .
C25 C 0.2811(8) 0.6087(7) 0.2540(6) 0.040(2) Uani 1 1 d . . . . .
H25 H 0.347240 0.599652 0.276400 0.049 Uiso 1 1 calc R . . . .
C58 C 0.4901(8) 0.2517(7) -0.0689(7) 0.044(2) Uani 1 1 d . . . . .
H58 H 0.515841 0.313243 -0.083131 0.053 Uiso 1 1 calc R . . . .
C41 C -0.2462(8) 0.2326(7) 0.1104(8) 0.054(3) Uani 1 1 d . . . . .
H41 H -0.306079 0.241425 0.068675 0.065 Uiso 1 1 calc R . . . .
C31 C 0.2523(9) 0.4219(8) -0.1054(7) 0.053(3) Uani 1 1 d . . . . .
H31 H 0.277069 0.405044 -0.147874 0.064 Uiso 1 1 calc R . . . .
C23 C 0.1976(7) 0.4859(6) 0.3288(5) 0.0252(18) Uani 1 1 d . . . . .
C52 C 0.4427(7) 0.0964(6) 0.1645(6) 0.0314(19) Uani 1 1 d . . . . .
H52 H 0.464868 0.051526 0.142744 0.038 Uiso 1 1 calc R . . . .
C47 C 0.5645(10) -0.0625(8) 0.4116(7) 0.055(3) Uani 1 1 d . . . . .
H47 H 0.594161 -0.096520 0.449733 0.066 Uiso 1 1 calc R . . . .
C40 C -0.1527(8) 0.2461(7) 0.0945(7) 0.042(2) Uani 1 1 d . . . . .
H40 H -0.147869 0.265257 0.042881 0.050 Uiso 1 1 calc R . . . .
C28 C 0.0867(8) 0.6296(7) 0.1817(7) 0.051(3) Uani 1 1 d . . . . .
H28 H 0.018426 0.634951 0.154677 0.061 Uiso 1 1 calc R . . . .
C62 C 0.6955(10) 0.4190(12) 0.3162(10) 0.093(5) Uani 1 1 d . . . . .
H62A H 0.673976 0.412596 0.251610 0.140 Uiso 1 1 calc GR . . . .
H62B H 0.769220 0.418810 0.345059 0.140 Uiso 1 1 calc GR . . . .
H62C H 0.703816 0.482502 0.346544 0.140 Uiso 1 1 calc GR . . . .
C20 C 0.0520(9) 0.3597(8) 0.4676(8) 0.049(3) Uani 1 1 d . . . . .
C42 C -0.2535(8) 0.2067(7) 0.1855(8) 0.048(3) Uani 1 1 d . . . . .
H42 H -0.316783 0.199978 0.196662 0.058 Uiso 1 1 calc R . . . .
C61 C 0.1506(8) 0.0601(7) -0.1543(7) 0.044(2) Uani 1 1 d . . . . .
H61A H 0.093189 0.071764 -0.199685 0.065 Uiso 1 1 calc GR . . . .
H61B H 0.171733 0.018333 -0.185440 0.065 Uiso 1 1 calc GR . . . .
H61C H 0.219789 0.124941 -0.114989 0.065 Uiso 1 1 calc GR . . . .
C32 C 0.2440(9) 0.5085(8) -0.0937(8) 0.060(3) Uani 1 1 d . . . . .
H32 H 0.261772 0.551203 -0.129584 0.072 Uiso 1 1 calc R . . . .
C45 C 0.4166(9) -0.0203(8) 0.3404(8) 0.056(3) Uani 1 1 d . . . . .
H45 H 0.343810 -0.025625 0.330090 0.067 Uiso 1 1 calc R . . . .
C46 C 0.4570(11) -0.0728(9) 0.3919(9) 0.075(4) Uani 1 1 d . . . . .
H46 H 0.410196 -0.116961 0.414242 0.090 Uiso 1 1 calc R . . . .
C15A C 0.0450(19) 0.2737(18) 0.4999(16) 0.063(3) Uani 0.527(10) 1 d . U P A 1
H15A H 0.096730 0.248487 0.502384 0.076 Uiso 0.527(10) 1 calc R . P A 1
C16A C -0.0412(18) 0.2296(17) 0.5272(15) 0.063(3) Uani 0.527(10) 1 d . U P A 1
H16A H -0.043840 0.176570 0.552957 0.076 Uiso 0.527(10) 1 calc R . P A 1
C17A C -0.121(2) 0.2594(19) 0.5183(17) 0.063(3) Uani 0.527(10) 1 d . U P A 1
H17A H -0.179237 0.226437 0.536342 0.076 Uiso 0.527(10) 1 calc R . P A 1
C15B C 0.094(2) 0.341(2) 0.5548(19) 0.063(3) Uani 0.473(10) 1 d . U P A 2
H15B H 0.166470 0.341805 0.578387 0.076 Uiso 0.473(10) 1 calc R . P A 2
C16B C 0.031(2) 0.3213(18) 0.6053(18) 0.063(3) Uani 0.473(10) 1 d . U P A 2
H16B H 0.061324 0.312604 0.663362 0.076 Uiso 0.473(10) 1 calc R . P A 2
C17B C -0.074(2) 0.315(2) 0.5696(19) 0.063(3) Uani 0.473(10) 1 d . U P A 2
H17B H -0.120568 0.297116 0.600621 0.076 Uiso 0.473(10) 1 calc R . P A 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 Dy1 3.6893(7) 2_666 ?
Dy1 Dy2 3.8246(6) . ?
Dy1 O1 2.384(5) 2_666 ?
Dy1 O5 2.305(5) . ?
Dy1 O3 2.313(5) . ?
Dy1 O11 2.488(5) . ?
Dy1 O6 2.306(5) . ?
Dy1 O2 2.344(5) 2_666 ?
Dy1 O2 2.258(5) . ?
Dy1 N1 2.502(6) . ?
Dy2 O1 2.303(5) 2_666 ?
Dy2 O9 2.368(5) . ?
Dy2 O7 2.314(5) . ?
Dy2 O3 2.327(5) . ?
Dy2 O8 2.333(5) . ?
Dy2 O4 2.394(5) . ?
Dy2 O10 2.294(5) . ?
Dy2 N3 2.538(6) . ?
O1 C2 1.341(8) . ?
O9 C51 1.254(9) . ?
O7 C36 1.278(9) . ?
O5 C21 1.285(9) . ?
O3 C8 1.306(8) . ?
O11 C60 1.402(10) . ?
O8 C38 1.292(9) . ?
O6 C23 1.263(9) . ?
O4 C14 1.415(9) . ?
O10 C53 1.289(9) . ?
O2 C1 1.345(9) . ?
N1 N2 1.412(8) . ?
N1 C7 1.297(10) . ?
C9 C8 1.481(10) . ?
C9 C10 1.388(11) . ?
C9 N3 1.341(10) . ?
C8 N2 1.290(9) . ?
O12 C61 1.404(10) . ?
C10 C11 1.373(11) . ?
C13 N3 1.326(9) . ?
C13 C12 1.420(11) . ?
C13 C14 1.501(11) . ?
C6 C7 1.429(10) . ?
C6 C5 1.407(10) . ?
C6 C1 1.402(10) . ?
C2 C3 1.377(10) . ?
C2 C1 1.442(10) . ?
O13 C62 1.372(14) . ?
C53 C54 1.474(11) . ?
C53 C52 1.389(11) . ?
C30 C35 1.394(12) . ?
C30 C31 1.399(13) . ?
C49 C50 1.369(11) . ?
C49 C48 1.366(12) . ?
C3 C4 1.409(10) . ?
C4 C5 1.370(11) . ?
C36 C35 1.493(11) . ?
C36 C37 1.386(11) . ?
C12 C11 1.375(12) . ?
C57 C56 1.376(13) . ?
C57 C58 1.377(13) . ?
C35 C34 1.375(12) . ?
C55 C56 1.379(13) . ?
C55 C54 1.409(11) . ?
C34 C33 1.373(14) . ?
C50 C51 1.494(11) . ?
C50 C45 1.378(13) . ?
C59 C54 1.392(11) . ?
C59 C58 1.389(12) . ?
C38 C37 1.385(11) . ?
C38 C39 1.494(11) . ?
C19 C18 1.371(13) . ?
C19 C20 1.363(12) . ?
C22 C21 1.393(11) . ?
C22 C23 1.380(11) . ?
C21 C20 1.497(12) . ?
C24 C29 1.387(11) . ?
C24 C25 1.392(12) . ?
C24 C23 1.500(11) . ?
C33 C32 1.374(16) . ?
C48 C47 1.351(15) . ?
C44 C43 1.398(12) . ?
C44 C39 1.365(12) . ?
C26 C27 1.371(13) . ?
C26 C25 1.385(12) . ?
C27 C28 1.379(14) . ?
C18 C17A 1.35(2) . ?
C18 C17B 1.46(3) . ?
C51 C52 1.398(12) . ?
C43 C42 1.389(13) . ?
C29 C28 1.383(13) . ?
C39 C40 1.394(12) . ?
C41 C40 1.385(13) . ?
C41 C42 1.373(14) . ?
C31 C32 1.372(14) . ?
C47 C46 1.375(14) . ?
C20 C15A 1.45(2) . ?
C20 C15B 1.46(3) . ?
C45 C46 1.366(13) . ?
C15A C16A 1.40(3) . ?
C16A C17A 1.35(3) . ?
C15B C16B 1.41(3) . ?
C16B C17B 1.34(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
Dy1 Dy1 Dy2 135.321(16) 2_666 . ?
O1 Dy1 Dy1 103.40(12) 2_666 2_666 ?
O1 Dy1 Dy2 34.63(11) 2_666 . ?
O1 Dy1 O11 73.26(18) 2_666 . ?
O1 Dy1 N1 127.79(17) 2_666 . ?
O5 Dy1 Dy1 112.50(15) . 2_666 ?
O5 Dy1 Dy2 110.36(15) . . ?
O5 Dy1 O1 131.58(19) . 2_666 ?
O5 Dy1 O3 89.55(19) . . ?
O5 Dy1 O11 147.06(19) . . ?
O5 Dy1 O6 70.89(19) . . ?
O5 Dy1 O2 130.13(18) . 2_666 ?
O5 Dy1 N1 70.22(19) . . ?
O3 Dy1 Dy1 153.38(12) . 2_666 ?
O3 Dy1 Dy2 34.60(13) . . ?
O3 Dy1 O1 68.83(17) . 2_666 ?
O3 Dy1 O11 80.04(19) . . ?
O3 Dy1 O2 135.64(17) . 2_666 ?
O3 Dy1 N1 64.35(19) . . ?
O11 Dy1 Dy1 73.35(15) . 2_666 ?
O11 Dy1 Dy2 77.72(14) . . ?
O11 Dy1 N1 77.13(19) . . ?
O6 Dy1 Dy1 95.49(14) . 2_666 ?
O6 Dy1 Dy2 86.87(14) . . ?
O6 Dy1 O1 74.43(17) . 2_666 ?
O6 Dy1 O3 106.14(19) . . ?
O6 Dy1 O11 142.0(2) . . ?
O6 Dy1 O2 75.85(18) . 2_666 ?
O6 Dy1 N1 139.91(19) . . ?
O2 Dy1 Dy1 35.92(12) 2_666 2_666 ?
O2 Dy1 Dy1 37.51(12) . 2_666 ?
O2 Dy1 Dy2 103.65(12) 2_666 . ?
O2 Dy1 Dy2 156.45(12) . . ?
O2 Dy1 O1 69.33(16) 2_666 2_666 ?
O2 Dy1 O1 138.15(17) . 2_666 ?
O2 Dy1 O5 87.49(19) . . ?
O2 Dy1 O3 135.94(17) . . ?
O2 Dy1 O11 74.47(19) 2_666 . ?
O2 Dy1 O11 79.04(19) . . ?
O2 Dy1 O6 114.20(18) . . ?
O2 Dy1 O2 73.4(2) . 2_666 ?
O2 Dy1 N1 73.38(18) . . ?
O2 Dy1 N1 139.57(18) 2_666 . ?
N1 Dy1 Dy1 107.97(14) . 2_666 ?
N1 Dy1 Dy2 97.68(14) . . ?
O1 Dy2 Dy1 36.04(12) 2_666 . ?
O1 Dy2 O9 94.60(17) 2_666 . ?
O1 Dy2 O7 87.34(18) 2_666 . ?
O1 Dy2 O3 70.00(17) 2_666 . ?
O1 Dy2 O8 98.10(18) 2_666 . ?
O1 Dy2 O4 162.62(19) 2_666 . ?
O1 Dy2 N3 133.58(19) 2_666 . ?
O9 Dy2 Dy1 88.62(13) . . ?
O9 Dy2 O4 89.60(19) . . ?
O9 Dy2 N3 67.89(19) . . ?
O7 Dy2 Dy1 111.54(13) . . ?
O7 Dy2 O9 145.23(19) . . ?
O7 Dy2 O3 135.02(18) . . ?
O7 Dy2 O8 71.11(18) . . ?
O7 Dy2 O4 79.72(19) . . ?
O7 Dy2 N3 131.76(19) . . ?
O3 Dy2 Dy1 34.37(11) . . ?
O3 Dy2 O9 77.02(18) . . ?
O3 Dy2 O8 74.26(17) . . ?
O3 Dy2 O4 127.36(18) . . ?
O3 Dy2 N3 64.35(18) . . ?
O8 Dy2 Dy1 81.36(13) . . ?
O8 Dy2 O9 142.20(19) . . ?
O8 Dy2 O4 88.7(2) . . ?
O8 Dy2 N3 77.70(19) . . ?
O4 Dy2 Dy1 161.23(14) . . ?
O4 Dy2 N3 63.4(2) . . ?
O10 Dy2 Dy1 116.89(15) . . ?
O10 Dy2 O1 85.63(19) . 2_666 ?
O10 Dy2 O9 70.4(2) . . ?
O10 Dy2 O7 75.2(2) . . ?
O10 Dy2 O3 137.3(2) . . ?
O10 Dy2 O8 145.8(2) . . ?
O10 Dy2 O4 79.9(2) . . ?
O10 Dy2 N3 123.32(19) . . ?
N3 Dy2 Dy1 98.71(14) . . ?
Dy2 O1 Dy1 109.33(19) 2_666 2_666 ?
C2 O1 Dy1 115.1(4) . 2_666 ?
C2 O1 Dy2 134.8(4) . 2_666 ?
C51 O9 Dy2 131.9(6) . . ?
C36 O7 Dy2 131.3(5) . . ?
C21 O5 Dy1 138.6(5) . . ?
Dy1 O3 Dy2 111.03(19) . . ?
C8 O3 Dy1 121.2(5) . . ?
C8 O3 Dy2 125.8(4) . . ?
C60 O11 Dy1 134.0(5) . . ?
C38 O8 Dy2 134.1(5) . . ?
C23 O6 Dy1 139.9(5) . . ?
C14 O4 Dy2 128.2(5) . . ?
C53 O10 Dy2 129.7(5) . . ?
Dy1 O2 Dy1 106.6(2) . 2_666 ?
C1 O2 Dy1 116.0(4) . 2_666 ?
C1 O2 Dy1 137.4(4) . . ?
N2 N1 Dy1 117.7(4) . . ?
C7 N1 Dy1 128.6(5) . . ?
C7 N1 N2 113.2(6) . . ?
C10 C9 C8 123.9(7) . . ?
N3 C9 C8 114.4(7) . . ?
N3 C9 C10 121.7(7) . . ?
O3 C8 C9 115.5(7) . . ?
N2 C8 O3 126.1(7) . . ?
N2 C8 C9 118.4(6) . . ?
C11 C10 C9 118.5(8) . . ?
C8 N2 N1 110.6(6) . . ?
N3 C13 C12 119.5(8) . . ?
N3 C13 C14 119.3(7) . . ?
C12 C13 C14 121.2(7) . . ?
C5 C6 C7 116.1(7) . . ?
C1 C6 C7 124.0(7) . . ?
C1 C6 C5 119.9(7) . . ?
N1 C7 C6 127.7(7) . . ?
O1 C2 C3 123.0(7) . . ?
O1 C2 C1 117.6(6) . . ?
C3 C2 C1 119.4(7) . . ?
O10 C53 C54 116.9(7) . . ?
O10 C53 C52 121.6(8) . . ?
C52 C53 C54 121.5(7) . . ?
C35 C30 C31 120.8(9) . . ?
C48 C49 C50 121.0(9) . . ?
C9 N3 Dy2 117.7(5) . . ?
C13 N3 Dy2 119.8(5) . . ?
C13 N3 C9 121.0(7) . . ?
C2 C3 C4 121.1(7) . . ?
C5 C4 C3 119.7(7) . . ?
O7 C36 C35 117.1(7) . . ?
O7 C36 C37 123.0(8) . . ?
C37 C36 C35 119.8(7) . . ?
C11 C12 C13 119.4(8) . . ?
C10 C11 C12 119.7(8) . . ?
C4 C5 C6 121.1(7) . . ?
C56 C57 C58 119.6(9) . . ?
C30 C35 C36 118.8(8) . . ?
C34 C35 C30 118.8(8) . . ?
C34 C35 C36 122.3(8) . . ?
C56 C55 C54 120.0(9) . . ?
C33 C34 C35 120.6(10) . . ?
C57 C56 C55 120.9(9) . . ?
O4 C14 C13 108.1(6) . . ?
O2 C1 C6 123.5(6) . . ?
O2 C1 C2 117.8(6) . . ?
C6 C1 C2 118.7(7) . . ?
C49 C50 C51 122.6(8) . . ?
C49 C50 C45 117.8(8) . . ?
C45 C50 C51 119.5(8) . . ?
C58 C59 C54 119.8(8) . . ?
O8 C38 C37 122.7(7) . . ?
O8 C38 C39 116.9(7) . . ?
C37 C38 C39 120.4(7) . . ?
C20 C19 C18 123.1(10) . . ?
C23 C22 C21 123.5(8) . . ?
O5 C21 C22 123.6(8) . . ?
O5 C21 C20 115.7(7) . . ?
C22 C21 C20 120.7(7) . . ?
C29 C24 C25 118.1(8) . . ?
C29 C24 C23 122.8(8) . . ?
C25 C24 C23 119.2(7) . . ?
C34 C33 C32 120.3(10) . . ?
C47 C48 C49 121.3(9) . . ?
C39 C44 C43 121.1(9) . . ?
C38 C37 C36 124.4(7) . . ?
C27 C26 C25 119.7(9) . . ?
C26 C27 C28 119.9(9) . . ?
C19 C18 C17B 117.3(13) . . ?
C17A C18 C19 118.5(13) . . ?
C55 C54 C53 121.9(8) . . ?
C59 C54 C53 119.2(7) . . ?
C59 C54 C55 118.8(8) . . ?
O9 C51 C50 117.9(8) . . ?
O9 C51 C52 123.0(8) . . ?
C52 C51 C50 119.1(7) . . ?
C42 C43 C44 119.1(10) . . ?
C28 C29 C24 120.5(9) . . ?
C44 C39 C38 119.8(8) . . ?
C44 C39 C40 119.5(8) . . ?
C40 C39 C38 120.6(8) . . ?
C26 C25 C24 121.2(9) . . ?
C57 C58 C59 120.9(9) . . ?
C42 C41 C40 121.0(9) . . ?
C32 C31 C30 118.3(10) . . ?
O6 C23 C22 123.3(7) . . ?
O6 C23 C24 115.6(7) . . ?
C22 C23 C24 121.1(7) . . ?
C53 C52 C51 124.4(8) . . ?
C48 C47 C46 118.3(10) . . ?
C41 C40 C39 119.5(9) . . ?
C27 C28 C29 120.4(8) . . ?
C19 C20 C21 125.8(9) . . ?
C19 C20 C15A 115.2(12) . . ?
C19 C20 C15B 114.2(13) . . ?
C15A C20 C21 114.3(11) . . ?
C15B C20 C21 116.7(12) . . ?
C41 C42 C43 119.7(9) . . ?
C31 C32 C33 121.1(10) . . ?
C46 C45 C50 120.6(10) . . ?
C45 C46 C47 120.8(11) . . ?
C16A C15A C20 117.0(19) . . ?
C17A C16A C15A 123(2) . . ?
C16A C17A C18 120(2) . . ?
C16B C15B C20 122(2) . . ?
C17B C16B C15B 119(3) . . ?
C16B C17B C18 120(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C2 C3 166.7(5) 2_666 . . . ?
Dy1 O1 C2 C1 -14.2(8) 2_666 . . . ?
Dy1 O5 C21 C22 1.6(14) . . . . ?
Dy1 O5 C21 C20 -178.8(6) . . . . ?
Dy1 O3 C8 C9 -178.2(4) . . . . ?
Dy1 O3 C8 N2 -0.8(10) . . . . ?
Dy1 O6 C23 C22 -6.3(13) . . . . ?
Dy1 O6 C23 C24 171.3(5) . . . . ?
Dy1 O2 C1 C6 21.5(11) . . . . ?
Dy1 O2 C1 C6 -161.5(6) 2_666 . . . ?
Dy1 O2 C1 C2 17.1(8) 2_666 . . . ?
Dy1 O2 C1 C2 -159.9(5) . . . . ?
Dy1 N1 N2 C8 3.1(7) . . . . ?
Dy1 N1 C7 C6 -9.8(11) . . . . ?
Dy2 O1 C2 C3 -2.2(10) 2_666 . . . ?
Dy2 O1 C2 C1 176.9(4) 2_666 . . . ?
Dy2 O9 C51 C50 -162.8(5) . . . . ?
Dy2 O9 C51 C52 16.8(12) . . . . ?
Dy2 O7 C36 C35 147.4(6) . . . . ?
Dy2 O7 C36 C37 -35.5(11) . . . . ?
Dy2 O3 C8 C9 -15.6(8) . . . . ?
Dy2 O3 C8 N2 161.8(6) . . . . ?
Dy2 O8 C38 C37 11.0(12) . . . . ?
Dy2 O8 C38 C39 -166.1(5) . . . . ?
Dy2 O4 C14 C13 6.4(9) . . . . ?
Dy2 O10 C53 C54 140.8(6) . . . . ?
Dy2 O10 C53 C52 -40.3(11) . . . . ?
O1 C2 C3 C4 -178.5(7) . . . . ?
O1 C2 C1 O2 -1.7(10) . . . . ?
O1 C2 C1 C6 176.9(6) . . . . ?
O9 C51 C52 C53 13.2(13) . . . . ?
O7 C36 C35 C30 22.6(12) . . . . ?
O7 C36 C35 C34 -153.7(8) . . . . ?
O7 C36 C37 C38 -1.5(13) . . . . ?
O5 C21 C20 C19 -172.9(10) . . . . ?
O5 C21 C20 C15A -18.5(16) . . . . ?
O5 C21 C20 C15B 28.7(17) . . . . ?
O3 C8 N2 N1 -1.7(10) . . . . ?
O8 C38 C37 C36 13.5(13) . . . . ?
O8 C38 C39 C44 24.9(11) . . . . ?
O8 C38 C39 C40 -152.7(8) . . . . ?
O10 C53 C54 C55 -147.4(8) . . . . ?
O10 C53 C54 C59 30.0(11) . . . . ?
O10 C53 C52 C51 -2.1(13) . . . . ?
C9 C8 N2 N1 175.6(6) . . . . ?
C9 C10 C11 C12 1.1(13) . . . . ?
C8 C9 C10 C11 -176.6(7) . . . . ?
C8 C9 N3 Dy2 8.5(8) . . . . ?
C8 C9 N3 C13 174.3(6) . . . . ?
C10 C9 C8 O3 -179.6(7) . . . . ?
C10 C9 C8 N2 2.8(11) . . . . ?
C10 C9 N3 Dy2 -168.9(6) . . . . ?
C10 C9 N3 C13 -3.1(11) . . . . ?
N2 N1 C7 C6 178.8(7) . . . . ?
C13 C12 C11 C10 -0.3(13) . . . . ?
C7 N1 N2 C8 175.5(6) . . . . ?
C7 C6 C5 C4 178.0(7) . . . . ?
C7 C6 C1 O2 3.6(12) . . . . ?
C7 C6 C1 C2 -175.0(7) . . . . ?
C2 C3 C4 C5 0.4(12) . . . . ?
C30 C35 C34 C33 2.0(15) . . . . ?
C30 C31 C32 C33 1.4(16) . . . . ?
C49 C50 C51 O9 -137.6(9) . . . . ?
C49 C50 C51 C52 42.7(12) . . . . ?
C49 C50 C45 C46 -1.1(16) . . . . ?
C49 C48 C47 C46 0.6(18) . . . . ?
N3 C9 C8 O3 3.1(9) . . . . ?
N3 C9 C8 N2 -174.5(7) . . . . ?
N3 C9 C10 C11 0.5(12) . . . . ?
N3 C13 C12 C11 -2.2(12) . . . . ?
N3 C13 C14 O4 3.6(10) . . . . ?
C3 C2 C1 O2 177.4(6) . . . . ?
C3 C2 C1 C6 -4.0(10) . . . . ?
C3 C4 C5 C6 -1.7(12) . . . . ?
C36 C35 C34 C33 178.2(9) . . . . ?
C12 C13 N3 Dy2 169.3(5) . . . . ?
C12 C13 N3 C9 3.9(11) . . . . ?
C12 C13 C14 O4 -176.7(7) . . . . ?
C5 C6 C7 N1 174.9(7) . . . . ?
C5 C6 C1 O2 -178.7(7) . . . . ?
C5 C6 C1 C2 2.7(11) . . . . ?
C35 C30 C31 C32 2.1(15) . . . . ?
C35 C36 C37 C38 175.5(8) . . . . ?
C35 C34 C33 C32 1.4(17) . . . . ?
C34 C33 C32 C31 -3.1(18) . . . . ?
C56 C57 C58 C59 -0.5(14) . . . . ?
C56 C55 C54 C53 176.8(8) . . . . ?
C56 C55 C54 C59 -0.6(12) . . . . ?
C14 C13 N3 Dy2 -11.0(9) . . . . ?
C14 C13 N3 C9 -176.4(7) . . . . ?
C14 C13 C12 C11 178.1(8) . . . . ?
C1 C6 C7 N1 -7.3(12) . . . . ?
C1 C6 C5 C4 0.1(11) . . . . ?
C1 C2 C3 C4 2.4(11) . . . . ?
C50 C49 C48 C47 1.5(17) . . . . ?
C50 C51 C52 C53 -167.1(8) . . . . ?
C50 C45 C46 C47 3.2(19) . . . . ?
C38 C39 C40 C41 178.2(8) . . . . ?
C19 C18 C17A C16A 9(3) . . . . ?
C19 C18 C17B C16B -7(3) . . . . ?
C19 C20 C15A C16A -15(3) . . . . ?
C19 C20 C15B C16B 10(3) . . . . ?
C22 C21 C20 C19 6.7(16) . . . . ?
C22 C21 C20 C15A 161.2(13) . . . . ?
C22 C21 C20 C15B -151.7(15) . . . . ?
C21 C22 C23 O6 -0.3(14) . . . . ?
C21 C22 C23 C24 -177.8(8) . . . . ?
C21 C20 C15A C16A -172.1(17) . . . . ?
C21 C20 C15B C16B 171.2(19) . . . . ?
C24 C29 C28 C27 -1.2(15) . . . . ?
C48 C49 C50 C51 179.4(9) . . . . ?
C48 C49 C50 C45 -1.3(15) . . . . ?
C48 C47 C46 C45 -3.0(19) . . . . ?
C44 C43 C42 C41 1.4(15) . . . . ?
C44 C39 C40 C41 0.5(13) . . . . ?
C37 C36 C35 C30 -154.6(8) . . . . ?
C37 C36 C35 C34 29.2(12) . . . . ?
C37 C38 C39 C44 -152.2(8) . . . . ?
C37 C38 C39 C40 30.2(11) . . . . ?
C26 C27 C28 C29 3.2(16) . . . . ?
C27 C26 C25 C24 -2.1(16) . . . . ?
C18 C19 C20 C21 177.5(10) . . . . ?
C18 C19 C20 C15A 23.3(19) . . . . ?
C18 C19 C20 C15B -23.6(19) . . . . ?
C54 C53 C52 C51 176.8(8) . . . . ?
C54 C55 C56 C57 2.2(14) . . . . ?
C54 C59 C58 C57 2.0(13) . . . . ?
C51 C50 C45 C46 178.2(10) . . . . ?
C43 C44 C39 C38 -179.0(8) . . . . ?
C43 C44 C39 C40 -1.3(13) . . . . ?
C29 C24 C25 C26 4.0(14) . . . . ?
C29 C24 C23 O6 161.5(8) . . . . ?
C29 C24 C23 C22 -20.9(12) . . . . ?
C39 C38 C37 C36 -169.5(7) . . . . ?
C39 C44 C43 C42 0.3(14) . . . . ?
C25 C24 C29 C28 -2.3(13) . . . . ?
C25 C24 C23 O6 -17.8(11) . . . . ?
C25 C24 C23 C22 159.8(8) . . . . ?
C25 C26 C27 C28 -1.5(17) . . . . ?
C58 C57 C56 C55 -1.6(15) . . . . ?
C58 C59 C54 C53 -178.9(8) . . . . ?
C58 C59 C54 C55 -1.5(12) . . . . ?
C31 C30 C35 C36 179.9(8) . . . . ?
C31 C30 C35 C34 -3.7(14) . . . . ?
C23 C22 C21 O5 2.4(14) . . . . ?
C23 C22 C21 C20 -177.2(9) . . . . ?
C23 C24 C29 C28 178.3(9) . . . . ?
C23 C24 C25 C26 -176.6(9) . . . . ?
C52 C53 C54 C55 33.7(12) . . . . ?
C52 C53 C54 C59 -149.0(8) . . . . ?
C40 C41 C42 C43 -2.1(16) . . . . ?
C20 C19 C18 C17A -21(2) . . . . ?
C20 C19 C18 C17B 23(2) . . . . ?
C20 C15A C16A C17A 5(4) . . . . ?
C20 C15B C16B C17B 3(4) . . . . ?
C42 C41 C40 C39 1.2(15) . . . . ?
C45 C50 C51 O9 43.2(12) . . . . ?
C45 C50 C51 C52 -136.5(9) . . . . ?
C15A C16A C17A C18 -1(4) . . . . ?
C15B C16B C17B C18 -5(4) . . . . ?

_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_2
_database_code_depnum_ccdc_archive 'CCDC 1955474'
loop_
_audit_author_name
_audit_author_address
'Zhilei Wu'
;Hebei University
China
;
_audit_update_record             
;
2020-05-03 deposited with the CCDC.	2020-05-04 downloaded from the CCDC.
;
_audit_creation_date             2020-04-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C122 H98 Dy4 N6 O22, 4(C2 H6 O)'
_chemical_formula_sum            'C130 H122 Dy4 N6 O26'
_chemical_formula_weight         2834.33
_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                   14.6067(9)
_cell_length_b                   15.2182(9)
_cell_length_c                   16.7747(11)
_cell_angle_alpha                97.174(3)
_cell_angle_beta                 111.732(3)
_cell_angle_gamma                113.278(3)
_cell_volume                     3016.8(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9712
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.42
_cell_measurement_theta_min      2.49
_shelx_estimated_absorpt_T_max   0.719
_shelx_estimated_absorpt_T_min   0.571
_exptl_absorpt_coefficient_mu    2.524
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6184
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0822 before and 0.0621 after correction.
The Ratio of minimum to maximum transmission is 0.8296.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1012
_diffrn_reflns_av_unetI/netI     0.0857
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            47260
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.022
_diffrn_reflns_theta_min         2.344
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7914
_reflns_number_total             11839
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.460
_refine_diff_density_min         -1.072
_refine_diff_density_rms         0.160
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         11839
_refine_ls_number_restraints     57
_refine_ls_R_factor_all          0.0874
_refine_ls_R_factor_gt           0.0442
_refine_ls_restrained_S_all      1.011
_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)+(0.0544P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.1130
_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) groups
2. Restrained distances
 O11-H11
 0.85 with sigma of 0.01
 O10-H13
 2.6 with sigma of 0.02
 O4-H4
 0.87 with sigma of 0.01
 H12A_$1-O8_$2
 2.1 with sigma of 0.02
 H4-H12A
 2.15 with sigma of 0.02
 C60-H11
 1.861402 with sigma of 0.02
 Dy1-H11
 2.986432 with sigma of 0.02
 C14-H4
 1.899941 with sigma of 0.02
 Dy2-H4
 2.9666 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C15B) \\sim Ueq, Uanis(C15A) \\sim Ueq, Uanis(C16B) \\sim Ueq,
Uanis(C16A) \\sim Ueq, Uanis(C17B) \\sim Ueq, Uanis(C17A) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C65) \\sim Ueq, Uanis(C64) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C15B) = Uanis(C15A) = Uanis(C16B) = Uanis(C16A) = Uanis(C17B) =
Uanis(C17A)
4. Others
 Sof(H18A)=Sof(C15B)=Sof(H15B)=Sof(C17B)=Sof(H17B)=Sof(C16B)=Sof(H16B)=1-FVAR(1)
 Sof(H18)=Sof(C15A)=Sof(H15A)=Sof(C16A)=Sof(H16A)=Sof(C17A)=Sof(H17A)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C60(H60A,H60B), C14(H14A,H14B), C62(H62A,H62B), C64(H64A,H64B)
5.b Aromatic/amide H refined with riding coordinates:
 C49(H49), C10(H10), C7(H7), C4(H4A), C5(H5), C12(H12), C44(H44), C58(H58),
 C11(H11A), C18(H18A), C18(H18), C3(H3), C19(H19), C22(H22), C37(H37), C57(H57),
  C25(H25), C43(H43), C34(H34), C29(H29), C46(H46), C26(H26), C48(H48),
 C52(H52), C59(H59), C28(H28), C33(H33), C45(H45), C47(H47), C56(H56), C30(H30),
  C55(H55), C40(H40), C41(H41), C31(H31), C42(H42), C32(H32), C15B(H15B),
 C17B(H17B), C16B(H16B), C27(H27), C15A(H15A), C16A(H16A), C17A(H17A)
5.c Idealised Me refined as rotating group:
 C61(H61A,H61B,H61C), C63(H63A,H63B,H63C), C65(H65A,H65B,H65C)
5.d Idealised tetrahedral OH refined as rotating group:
 O12(H12A), O13(H13)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.63116(2) 0.11759(2) 0.57748(2) 0.01706(9) Uani 1 1 d D . . . .
Dy2 Dy 0.74178(2) 0.30920(2) 0.80592(2) 0.02108(10) Uani 1 1 d D . . . .
O10 O 0.6215(4) 0.2862(4) 0.8696(3) 0.0343(12) Uani 1 1 d D . . . .
O2 O 0.5187(3) 0.0254(3) 0.4288(3) 0.0191(9) Uani 1 1 d . . . . .
O5 O 0.7835(4) 0.1373(4) 0.5550(3) 0.0311(12) Uani 1 1 d . . . . .
O3 O 0.7326(3) 0.2861(3) 0.6620(3) 0.0199(10) Uani 1 1 d . . . . .
O6 O 0.7163(4) 0.0352(3) 0.6582(3) 0.0293(11) Uani 1 1 d . . . . .
O8 O 0.9128(4) 0.3104(4) 0.8255(3) 0.0284(11) Uani 1 1 d D . . . .
O11 O 0.4793(4) 0.1636(4) 0.5449(4) 0.0353(12) Uani 1 1 d D . . . .
H11 H 0.443(4) 0.151(4) 0.576(4) 0.053 Uiso 1 1 d DR . . . .
O1 O 0.3805(3) -0.1425(3) 0.2848(3) 0.0193(9) Uani 1 1 d . . . . .
O7 O 0.8016(4) 0.2465(3) 0.9228(3) 0.0267(11) Uani 1 1 d . . . . .
O9 O 0.6204(4) 0.3720(3) 0.7373(3) 0.0295(11) Uani 1 1 d . . . . .
N2 N 0.7360(4) 0.3421(4) 0.5396(4) 0.0230(12) Uani 1 1 d . . . . .
O4 O 0.8555(4) 0.4622(4) 0.9308(3) 0.0359(12) Uani 1 1 d D . . . .
H4 H 0.854(4) 0.4661(16) 0.9827(14) 0.054 Uiso 1 1 d DR . . . .
N1 N 0.6675(4) 0.2383(4) 0.4900(3) 0.0182(11) Uani 1 1 d . . . . .
N3 N 0.8403(4) 0.4679(4) 0.7732(4) 0.0217(12) Uani 1 1 d . . . . .
O12 O 0.9143(4) 0.4823(4) 1.1004(3) 0.0379(13) Uani 1 1 d . . . . .
H12A H 0.950414 0.545336 1.124241 0.057 Uiso 1 1 calc DGR . . . .
C2 C 0.4440(5) -0.0577(4) 0.2725(4) 0.0172(13) Uani 1 1 d . . . . .
C8 C 0.7614(5) 0.3572(5) 0.6256(5) 0.0212(14) Uani 1 1 d . . . . .
C49 C 0.4123(7) 0.4515(7) 0.6873(6) 0.048(2) Uani 1 1 d . . . . .
H49 H 0.371394 0.413174 0.714670 0.058 Uiso 1 1 calc R . . . .
C51 C 0.5632(6) 0.4040(5) 0.7594(5) 0.0308(17) Uani 1 1 d . . . . .
C9 C 0.8251(5) 0.4624(5) 0.6876(5) 0.0238(15) Uani 1 1 d . . . . .
C10 C 0.8592(6) 0.5459(5) 0.6599(5) 0.0316(17) Uani 1 1 d . . . . .
H10 H 0.846969 0.539528 0.599229 0.038 Uiso 1 1 calc R . . . .
C7 C 0.6456(5) 0.2201(5) 0.4060(4) 0.0212(14) Uani 1 1 d . . . . .
H7 H 0.678405 0.276542 0.388185 0.025 Uiso 1 1 calc R . . . .
C38 C 0.9604(6) 0.2594(5) 0.8564(5) 0.0287(16) Uani 1 1 d . . . . .
C1 C 0.5150(5) 0.0323(4) 0.3492(4) 0.0167(13) Uani 1 1 d . . . . .
C4 C 0.5058(6) 0.0343(5) 0.1790(5) 0.0308(17) Uani 1 1 d . . . . .
H4A H 0.504133 0.034357 0.121884 0.037 Uiso 1 1 calc R . . . .
C13 C 0.8905(6) 0.5588(5) 0.8343(5) 0.0298(17) Uani 1 1 d . . . . .
C36 C 0.8465(6) 0.1899(5) 0.9314(4) 0.0269(16) Uani 1 1 d . . . . .
C5 C 0.5714(6) 0.1223(5) 0.2501(4) 0.0261(15) Uani 1 1 d . . . . .
H5 H 0.613698 0.183172 0.241824 0.031 Uiso 1 1 calc R . . . .
C61 C 0.3528(6) 0.2324(6) 0.4988(6) 0.044(2) Uani 1 1 d . . . . .
H61A H 0.359354 0.251740 0.559431 0.065 Uiso 1 1 calc GR . . . .
H61B H 0.289772 0.164249 0.464015 0.065 Uiso 1 1 calc GR . . . .
H61C H 0.339656 0.280031 0.467909 0.065 Uiso 1 1 calc GR . . . .
C6 C 0.5760(5) 0.1224(5) 0.3357(4) 0.0207(14) Uani 1 1 d . . . . .
C12 C 0.9296(6) 0.6474(5) 0.8124(5) 0.0353(18) Uani 1 1 d . . . . .
H12 H 0.967235 0.711519 0.856948 0.042 Uiso 1 1 calc R . . . .
C60 C 0.4586(6) 0.2343(6) 0.5065(6) 0.042(2) Uani 1 1 d D . . . .
H60A H 0.454030 0.220795 0.445545 0.050 Uiso 1 1 calc R . . . .
H60B H 0.522290 0.302581 0.544063 0.050 Uiso 1 1 calc R . . . .
C44 C 1.0685(6) 0.3022(6) 0.7693(5) 0.041(2) Uani 1 1 d . . . . .
H44 H 1.011733 0.313263 0.728531 0.049 Uiso 1 1 calc R . . . .
C53 C 0.5729(6) 0.3351(5) 0.8860(5) 0.0277(16) Uani 1 1 d . . . . .
O13 O 0.3971(6) 0.1560(5) 0.6764(5) 0.076(2) Uani 1 1 d . . . . .
H13 H 0.449502 0.156412 0.720276 0.114 Uiso 1 1 calc DGR . . . .
C58 C 0.4972(7) 0.2251(7) 1.0547(6) 0.052(2) Uani 1 1 d . . . . .
H58 H 0.477743 0.162851 1.067111 0.063 Uiso 1 1 calc R . . . .
C11 C 0.9125(6) 0.6401(5) 0.7245(5) 0.0374(18) Uani 1 1 d . . . . .
H11A H 0.937197 0.699540 0.708146 0.045 Uiso 1 1 calc R . . . .
C18 C 1.0917(8) 0.1581(9) 0.5110(8) 0.075(3) Uani 1 1 d . . . . .
H18A H 1.163793 0.162381 0.536925 0.090 Uiso 0.428(10) 1 calc R . P A 2
H18 H 1.136538 0.127998 0.507465 0.090 Uiso 0.572(10) 1 calc R . P A 1
C21 C 0.8587(6) 0.1116(5) 0.5771(5) 0.0289(16) Uani 1 1 d . . . . .
C23 C 0.7968(5) 0.0174(5) 0.6720(5) 0.0245(15) Uani 1 1 d . . . . .
C39 C 1.0580(6) 0.2725(5) 0.8417(5) 0.0309(17) Uani 1 1 d . . . . .
C3 C 0.4416(6) -0.0551(5) 0.1893(4) 0.0279(16) Uani 1 1 d . . . . .
H3 H 0.395525 -0.115098 0.138845 0.034 Uiso 1 1 calc R . . . .
C35 C 0.8205(6) 0.1213(5) 0.9862(5) 0.0337(18) Uani 1 1 d . . . . .
C19 C 1.0220(7) 0.1228(7) 0.5496(7) 0.058(3) Uani 1 1 d . . . . .
H19 H 1.032347 0.080624 0.585415 0.069 Uiso 1 1 calc R . . . .
C22 C 0.8699(6) 0.0534(5) 0.6351(5) 0.0300(17) Uani 1 1 d . . . . .
H22 H 0.929939 0.038006 0.649785 0.036 Uiso 1 1 calc R . . . .
C37 C 0.9228(6) 0.1925(5) 0.9001(5) 0.0298(17) Uani 1 1 d . . . . .
H37 H 0.950807 0.145892 0.909039 0.036 Uiso 1 1 calc R . . . .
C57 C 0.5045(8) 0.3044(8) 1.1106(6) 0.060(3) Uani 1 1 d . . . . .
H57 H 0.491469 0.297525 1.161450 0.072 Uiso 1 1 calc R . . . .
C50 C 0.5135(6) 0.4574(5) 0.7027(5) 0.0309(17) Uani 1 1 d . . . . .
C25 C 0.9044(6) -0.0574(6) 0.7685(5) 0.0391(19) Uani 1 1 d . . . . .
H25 H 0.968797 -0.016924 0.762539 0.047 Uiso 1 1 calc R . . . .
C43 C 1.1599(7) 0.3160(7) 0.7552(6) 0.053(2) Uani 1 1 d . . . . .
H43 H 1.166219 0.336887 0.705566 0.063 Uiso 1 1 calc R . . . .
C34 C 0.8266(7) 0.0329(6) 0.9742(6) 0.052(2) Uani 1 1 d . . . . .
H34 H 0.851041 0.016050 0.932210 0.063 Uiso 1 1 calc R . . . .
C29 C 0.7164(7) -0.1100(6) 0.7392(6) 0.044(2) Uani 1 1 d . . . . .
H29 H 0.649686 -0.104725 0.713221 0.053 Uiso 1 1 calc R . . . .
C46 C 0.5254(9) 0.5629(8) 0.6084(7) 0.077(3) Uani 1 1 d . . . . .
H46 H 0.565420 0.603011 0.581391 0.092 Uiso 1 1 calc R . . . .
C26 C 0.9079(7) -0.1247(6) 0.8174(6) 0.052(2) Uani 1 1 d . . . . .
H26 H 0.974877 -0.129169 0.845255 0.062 Uiso 1 1 calc R . . . .
C24 C 0.8080(6) -0.0491(5) 0.7288(5) 0.0291(16) Uani 1 1 d . . . . .
C48 C 0.3689(8) 0.4997(7) 0.6333(6) 0.051(2) Uani 1 1 d . . . . .
H48 H 0.297936 0.493667 0.623190 0.062 Uiso 1 1 calc R . . . .
C20 C 0.9392(7) 0.1466(6) 0.5379(6) 0.044(2) Uani 1 1 d . . . . .
C54 C 0.5443(6) 0.3237(6) 0.9617(5) 0.0323(17) Uani 1 1 d . . . . .
C52 C 0.5449(6) 0.3945(5) 0.8358(5) 0.0345(18) Uani 1 1 d . . . . .
H52 H 0.511791 0.430643 0.853628 0.041 Uiso 1 1 calc R . . . .
C59 C 0.5172(6) 0.2330(6) 0.9815(5) 0.042(2) Uani 1 1 d . . . . .
H59 H 0.512652 0.177193 0.944558 0.050 Uiso 1 1 calc R . . . .
C14 C 0.9035(6) 0.5624(5) 0.9275(5) 0.0343(18) Uani 1 1 d D . . . .
H14A H 0.984127 0.599770 0.971930 0.041 Uiso 1 1 calc R . . . .
H14B H 0.865480 0.597866 0.943164 0.041 Uiso 1 1 calc R . . . .
C28 C 0.7184(8) -0.1787(7) 0.7863(7) 0.058(3) Uani 1 1 d . . . . .
H28 H 0.653735 -0.220810 0.791205 0.070 Uiso 1 1 calc R . . . .
C33 C 0.7978(9) -0.0316(8) 1.0221(8) 0.076(3) Uani 1 1 d . . . . .
H33 H 0.800387 -0.093236 1.012212 0.092 Uiso 1 1 calc R . . . .
C45 C 0.5709(7) 0.5131(7) 0.6614(6) 0.055(3) Uani 1 1 d . . . . .
H45 H 0.640450 0.517327 0.669189 0.066 Uiso 1 1 calc R . . . .
C47 C 0.4243(8) 0.5548(7) 0.5950(6) 0.060(3) Uani 1 1 d . . . . .
H47 H 0.393443 0.588454 0.558136 0.072 Uiso 1 1 calc R . . . .
C56 C 0.5306(9) 0.3921(8) 1.0918(7) 0.069(3) Uani 1 1 d . . . . .
H56 H 0.535589 0.447216 1.129952 0.083 Uiso 1 1 calc R . . . .
C30 C 0.7812(7) 0.1443(7) 1.0461(5) 0.049(2) Uani 1 1 d . . . . .
H30 H 0.772820 0.203213 1.052052 0.059 Uiso 1 1 calc R . . . .
C55 C 0.5507(8) 0.4036(7) 1.0169(6) 0.050(2) Uani 1 1 d . . . . .
H55 H 0.568456 0.465827 1.004463 0.060 Uiso 1 1 calc R . . . .
C40 C 1.1426(6) 0.2570(6) 0.8999(6) 0.047(2) Uani 1 1 d . . . . .
H40 H 1.137036 0.236097 0.949686 0.056 Uiso 1 1 calc R . . . .
C41 C 1.2346(7) 0.2714(7) 0.8865(7) 0.059(3) Uani 1 1 d . . . . .
H41 H 1.292594 0.262134 0.927869 0.071 Uiso 1 1 calc R . . . .
C31 C 0.7546(8) 0.0828(8) 1.0967(7) 0.065(3) Uani 1 1 d . . . . .
H31 H 0.729692 0.099165 1.138549 0.078 Uiso 1 1 calc R . . . .
C42 C 1.2422(7) 0.2989(7) 0.8140(8) 0.067(3) Uani 1 1 d . . . . .
H42 H 1.304325 0.306511 0.803836 0.080 Uiso 1 1 calc R . . . .
C32 C 0.7656(9) -0.0050(8) 1.0842(7) 0.078(4) Uani 1 1 d . . . . .
H32 H 0.750119 -0.047199 1.119812 0.094 Uiso 1 1 calc R . . . .
C15B C 0.9005(19) 0.1749(18) 0.4550(18) 0.058(2) Uani 0.428(10) 1 d . U P A 2
H15B H 0.831908 0.177538 0.432513 0.069 Uiso 0.428(10) 1 calc R . P A 2
C17B C 1.058(2) 0.1877(19) 0.4346(18) 0.058(2) Uani 0.428(10) 1 d . U P A 2
H17B H 1.099664 0.199990 0.401205 0.069 Uiso 0.428(10) 1 calc R . P A 2
C16B C 0.9678(18) 0.1979(17) 0.4105(17) 0.058(2) Uani 0.428(10) 1 d . U P A 2
H16B H 0.946560 0.221917 0.360617 0.069 Uiso 0.428(10) 1 calc R . P A 2
C27 C 0.8150(8) -0.1842(7) 0.8251(6) 0.055(2) Uani 1 1 d . . . . .
H27 H 0.817897 -0.230141 0.858150 0.067 Uiso 1 1 calc R . . . .
C62 C 0.8204(7) 0.4430(7) 1.1173(7) 0.056(3) Uani 1 1 d . . . . .
H62A H 0.762185 0.377938 1.069323 0.068 Uiso 1 1 calc R . . . .
H62B H 0.788813 0.489986 1.113370 0.068 Uiso 1 1 calc R . . . .
C63 C 0.8458(9) 0.4264(9) 1.2069(7) 0.082(3) Uani 1 1 d . . . . .
H63A H 0.908695 0.488641 1.254705 0.123 Uiso 1 1 calc GR . . . .
H63B H 0.865843 0.372133 1.208085 0.123 Uiso 1 1 calc GR . . . .
H63C H 0.779545 0.407678 1.216939 0.123 Uiso 1 1 calc GR . . . .
C64 C 0.2999(9) 0.0627(8) 0.6438(9) 0.089(4) Uani 1 1 d . U . . .
H64A H 0.318061 0.007031 0.636327 0.107 Uiso 1 1 calc R . . . .
H64B H 0.243350 0.055219 0.584243 0.107 Uiso 1 1 calc R . . . .
C65 C 0.2540(12) 0.0588(12) 0.7110(9) 0.134(6) Uani 1 1 d . U . . .
H65A H 0.306263 0.057233 0.767277 0.201 Uiso 1 1 calc GR . . . .
H65B H 0.181081 -0.002100 0.685893 0.201 Uiso 1 1 calc GR . . . .
H65C H 0.244801 0.118560 0.723519 0.201 Uiso 1 1 calc GR . . . .
C15A C 0.9480(14) 0.2313(14) 0.5104(13) 0.058(2) Uani 0.572(10) 1 d . U P A 1
H15A H 0.904350 0.261978 0.515942 0.069 Uiso 0.572(10) 1 calc R . P A 1
C16A C 1.0232(13) 0.2706(14) 0.4741(12) 0.058(2) Uani 0.572(10) 1 d . U P A 1
H16A H 1.022532 0.321498 0.446747 0.069 Uiso 0.572(10) 1 calc R . P A 1
C17A C 1.0964(15) 0.2350(14) 0.4785(13) 0.058(2) Uani 0.572(10) 1 d . U P A 1
H17A H 1.150902 0.264712 0.458429 0.069 Uiso 0.572(10) 1 calc R . P A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy1 3.7026(6) 2_656 ?
Dy1 Dy2 3.8339(5) . ?
Dy1 O2 2.355(4) 2_656 ?
Dy1 O2 2.272(4) . ?
Dy1 O5 2.303(4) . ?
Dy1 O3 2.305(4) . ?
Dy1 O6 2.316(4) . ?
Dy1 O11 2.477(5) . ?
Dy1 O1 2.373(4) 2_656 ?
Dy1 N1 2.508(5) . ?
Dy2 O10 2.314(5) . ?
Dy2 O3 2.340(4) . ?
Dy2 O8 2.388(4) . ?
Dy2 O1 2.320(4) 2_656 ?
Dy2 O7 2.319(4) . ?
Dy2 O9 2.343(4) . ?
Dy2 O4 2.391(5) . ?
Dy2 N3 2.526(5) . ?
O10 C53 1.281(8) . ?
O2 C1 1.335(7) . ?
O5 C21 1.254(7) . ?
O3 C8 1.311(7) . ?
O6 C23 1.254(7) . ?
O8 C38 1.271(8) . ?
O11 C60 1.396(8) . ?
O1 C2 1.354(7) . ?
O7 C36 1.265(8) . ?
O9 C51 1.257(8) . ?
N2 N1 1.413(7) . ?
N2 C8 1.313(8) . ?
O4 C14 1.422(8) . ?
N1 C7 1.289(8) . ?
N3 C9 1.354(8) . ?
N3 C13 1.338(8) . ?
O12 C62 1.415(9) . ?
C2 C1 1.434(8) . ?
C2 C3 1.389(8) . ?
C8 C9 1.484(9) . ?
C49 C50 1.366(10) . ?
C49 C48 1.368(11) . ?
C51 C50 1.496(9) . ?
C51 C52 1.415(10) . ?
C9 C10 1.378(9) . ?
C10 C11 1.393(10) . ?
C7 C6 1.454(8) . ?
C38 C39 1.477(9) . ?
C38 C37 1.384(10) . ?
C1 C6 1.410(8) . ?
C4 C5 1.369(9) . ?
C4 C3 1.389(9) . ?
C13 C12 1.397(10) . ?
C13 C14 1.494(10) . ?
C36 C35 1.505(9) . ?
C36 C37 1.388(9) . ?
C5 C6 1.413(8) . ?
C61 C60 1.490(10) . ?
C12 C11 1.382(10) . ?
C44 C39 1.387(10) . ?
C44 C43 1.380(10) . ?
C53 C54 1.486(10) . ?
C53 C52 1.385(9) . ?
O13 C64 1.403(12) . ?
C58 C57 1.374(12) . ?
C58 C59 1.371(11) . ?
C18 C19 1.373(11) . ?
C18 C17B 1.39(2) . ?
C18 C17A 1.341(19) . ?
C21 C22 1.403(9) . ?
C21 C20 1.504(10) . ?
C23 C22 1.392(9) . ?
C23 C24 1.488(9) . ?
C39 C40 1.390(10) . ?
C35 C34 1.378(11) . ?
C35 C30 1.400(11) . ?
C19 C20 1.349(10) . ?
C57 C56 1.348(12) . ?
C50 C45 1.384(11) . ?
C25 C26 1.393(10) . ?
C25 C24 1.382(9) . ?
C43 C42 1.386(12) . ?
C34 C33 1.381(12) . ?
C29 C24 1.383(10) . ?
C29 C28 1.388(10) . ?
C46 C45 1.391(11) . ?
C46 C47 1.360(12) . ?
C26 C27 1.367(11) . ?
C48 C47 1.325(12) . ?
C20 C15B 1.48(2) . ?
C20 C15A 1.398(17) . ?
C54 C59 1.398(10) . ?
C54 C55 1.383(10) . ?
C28 C27 1.359(11) . ?
C33 C32 1.371(15) . ?
C56 C55 1.408(12) . ?
C30 C31 1.379(12) . ?
C40 C41 1.381(11) . ?
C41 C42 1.363(13) . ?
C31 C32 1.407(14) . ?
C15B C16B 1.41(3) . ?
C17B C16B 1.31(3) . ?
C62 C63 1.488(13) . ?
C64 C65 1.505(16) . ?
C15A C16A 1.41(2) . ?
C16A C17A 1.36(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Dy1 Dy1 Dy2 136.148(14) 2_656 . ?
O2 Dy1 Dy1 36.07(10) 2_656 2_656 ?
O2 Dy1 Dy1 37.62(10) . 2_656 ?
O2 Dy1 Dy2 158.70(10) . . ?
O2 Dy1 Dy2 103.60(10) 2_656 . ?
O2 Dy1 O2 73.68(16) . 2_656 ?
O2 Dy1 O5 88.38(16) . . ?
O2 Dy1 O3 136.62(14) . . ?
O2 Dy1 O6 111.95(16) . . ?
O2 Dy1 O11 75.91(15) 2_656 . ?
O2 Dy1 O11 79.86(16) . . ?
O2 Dy1 O1 139.39(14) . 2_656 ?
O2 Dy1 O1 69.20(14) 2_656 2_656 ?
O2 Dy1 N1 73.59(15) . . ?
O2 Dy1 N1 139.68(15) 2_656 . ?
O5 Dy1 Dy1 114.09(12) . 2_656 ?
O5 Dy1 Dy2 107.60(13) . . ?
O5 Dy1 O2 131.99(15) . 2_656 ?
O5 Dy1 O3 87.79(16) . . ?
O5 Dy1 O6 70.47(16) . . ?
O5 Dy1 O11 145.08(16) . . ?
O5 Dy1 O1 129.09(16) . 2_656 ?
O5 Dy1 N1 69.41(16) . . ?
O3 Dy1 Dy1 153.79(10) . 2_656 ?
O3 Dy1 Dy2 34.68(10) . . ?
O3 Dy1 O2 135.20(14) . 2_656 ?
O3 Dy1 O6 107.28(16) . . ?
O3 Dy1 O11 79.02(16) . . ?
O3 Dy1 O1 68.96(14) . 2_656 ?
O3 Dy1 N1 64.68(15) . . ?
O6 Dy1 Dy1 94.15(12) . 2_656 ?
O6 Dy1 Dy2 87.15(12) . . ?
O6 Dy1 O2 75.71(15) . 2_656 ?
O6 Dy1 O11 144.34(16) . . ?
O6 Dy1 O1 74.29(15) . 2_656 ?
O6 Dy1 N1 139.29(16) . . ?
O11 Dy1 Dy1 74.77(13) . 2_656 ?
O11 Dy1 Dy2 79.01(13) . . ?
O11 Dy1 N1 75.73(16) . . ?
O1 Dy1 Dy1 103.88(10) 2_656 2_656 ?
O1 Dy1 Dy2 34.77(10) 2_656 . ?
O1 Dy1 O11 75.74(15) 2_656 . ?
O1 Dy1 N1 128.98(15) 2_656 . ?
N1 Dy1 Dy1 108.15(11) . 2_656 ?
N1 Dy1 Dy2 98.44(11) . . ?
O10 Dy2 Dy1 117.66(13) . . ?
O10 Dy2 O3 138.56(16) . . ?
O10 Dy2 O8 143.68(16) . . ?
O10 Dy2 O1 85.96(16) . 2_656 ?
O10 Dy2 O7 73.81(16) . . ?
O10 Dy2 O9 71.22(16) . . ?
O10 Dy2 O4 81.29(18) . . ?
O10 Dy2 N3 125.08(16) . . ?
O3 Dy2 Dy1 34.09(10) . . ?
O3 Dy2 O8 74.61(14) . . ?
O3 Dy2 O9 78.62(15) . . ?
O3 Dy2 O4 126.91(16) . . ?
O3 Dy2 N3 64.19(16) . . ?
O8 Dy2 Dy1 81.12(11) . . ?
O8 Dy2 O4 86.70(18) . . ?
O8 Dy2 N3 77.57(16) . . ?
O1 Dy2 Dy1 35.68(10) 2_656 . ?
O1 Dy2 O3 69.28(14) 2_656 . ?
O1 Dy2 O8 97.86(16) 2_656 . ?
O1 Dy2 O9 95.82(16) 2_656 . ?
O1 Dy2 O4 163.76(16) 2_656 . ?
O1 Dy2 N3 132.78(16) 2_656 . ?
O7 Dy2 Dy1 110.24(11) . . ?
O7 Dy2 O3 133.95(15) . . ?
O7 Dy2 O8 70.40(15) . . ?
O7 Dy2 O1 86.74(15) . 2_656 ?
O7 Dy2 O9 144.64(16) . . ?
O7 Dy2 O4 80.10(16) . . ?
O7 Dy2 N3 132.31(16) . . ?
O9 Dy2 Dy1 90.70(12) . . ?
O9 Dy2 O8 143.15(16) . . ?
O9 Dy2 O4 89.57(17) . . ?
O9 Dy2 N3 68.10(16) . . ?
O4 Dy2 Dy1 159.97(12) . . ?
O4 Dy2 N3 63.39(17) . . ?
N3 Dy2 Dy1 98.28(12) . . ?
C53 O10 Dy2 134.3(4) . . ?
Dy1 O2 Dy1 106.31(16) . 2_656 ?
C1 O2 Dy1 115.9(3) . 2_656 ?
C1 O2 Dy1 137.8(4) . . ?
C21 O5 Dy1 140.1(4) . . ?
Dy1 O3 Dy2 111.23(16) . . ?
C8 O3 Dy1 121.7(4) . . ?
C8 O3 Dy2 125.9(4) . . ?
C23 O6 Dy1 139.7(4) . . ?
C38 O8 Dy2 134.3(4) . . ?
C60 O11 Dy1 132.7(4) . . ?
Dy2 O1 Dy1 109.56(16) 2_656 2_656 ?
C2 O1 Dy1 115.2(3) . 2_656 ?
C2 O1 Dy2 134.7(4) . 2_656 ?
C36 O7 Dy2 131.0(4) . . ?
C51 O9 Dy2 135.2(5) . . ?
C8 N2 N1 110.6(5) . . ?
C14 O4 Dy2 127.3(4) . . ?
N2 N1 Dy1 117.5(4) . . ?
C7 N1 Dy1 129.4(4) . . ?
C7 N1 N2 112.4(5) . . ?
C9 N3 Dy2 119.3(4) . . ?
C13 N3 Dy2 120.9(5) . . ?
C13 N3 C9 118.8(6) . . ?
O1 C2 C1 117.5(5) . . ?
O1 C2 C3 122.7(6) . . ?
C3 C2 C1 119.8(6) . . ?
O3 C8 N2 125.2(6) . . ?
O3 C8 C9 116.0(6) . . ?
N2 C8 C9 118.7(6) . . ?
C50 C49 C48 121.2(8) . . ?
O9 C51 C50 117.9(7) . . ?
O9 C51 C52 124.0(7) . . ?
C52 C51 C50 118.1(6) . . ?
N3 C9 C8 113.0(6) . . ?
N3 C9 C10 123.5(6) . . ?
C10 C9 C8 123.4(6) . . ?
C9 C10 C11 117.1(7) . . ?
N1 C7 C6 127.0(6) . . ?
O8 C38 C39 116.7(6) . . ?
O8 C38 C37 122.8(7) . . ?
C37 C38 C39 120.4(6) . . ?
O2 C1 C2 117.9(5) . . ?
O2 C1 C6 124.2(5) . . ?
C6 C1 C2 118.0(5) . . ?
C5 C4 C3 120.9(6) . . ?
N3 C13 C12 121.5(7) . . ?
N3 C13 C14 117.5(6) . . ?
C12 C13 C14 121.0(6) . . ?
O7 C36 C35 116.1(6) . . ?
O7 C36 C37 124.8(6) . . ?
C37 C36 C35 118.9(6) . . ?
C4 C5 C6 119.9(6) . . ?
C1 C6 C7 123.8(6) . . ?
C1 C6 C5 120.6(6) . . ?
C5 C6 C7 115.6(6) . . ?
C11 C12 C13 118.7(7) . . ?
O11 C60 C61 112.8(6) . . ?
C43 C44 C39 121.3(7) . . ?
O10 C53 C54 116.7(6) . . ?
O10 C53 C52 123.2(7) . . ?
C52 C53 C54 120.1(6) . . ?
C59 C58 C57 122.1(8) . . ?
C12 C11 C10 120.4(7) . . ?
C19 C18 C17B 121.0(12) . . ?
C17A C18 C19 120.0(11) . . ?
O5 C21 C22 123.4(6) . . ?
O5 C21 C20 116.4(6) . . ?
C22 C21 C20 120.2(6) . . ?
O6 C23 C22 123.5(6) . . ?
O6 C23 C24 115.6(6) . . ?
C22 C23 C24 120.8(6) . . ?
C44 C39 C38 120.6(6) . . ?
C44 C39 C40 117.8(7) . . ?
C40 C39 C38 121.6(7) . . ?
C2 C3 C4 120.7(6) . . ?
C34 C35 C36 121.7(7) . . ?
C34 C35 C30 119.2(7) . . ?
C30 C35 C36 119.0(7) . . ?
C20 C19 C18 121.7(8) . . ?
C23 C22 C21 122.8(6) . . ?
C38 C37 C36 123.4(7) . . ?
C56 C57 C58 118.7(9) . . ?
C49 C50 C51 123.1(7) . . ?
C49 C50 C45 118.1(7) . . ?
C45 C50 C51 118.8(7) . . ?
C24 C25 C26 120.6(8) . . ?
C44 C43 C42 119.4(8) . . ?
C35 C34 C33 121.2(10) . . ?
C24 C29 C28 122.4(7) . . ?
C47 C46 C45 120.6(9) . . ?
C27 C26 C25 119.9(8) . . ?
C25 C24 C23 123.3(7) . . ?
C25 C24 C29 117.5(7) . . ?
C29 C24 C23 119.2(6) . . ?
C47 C48 C49 121.0(8) . . ?
C19 C20 C21 125.6(7) . . ?
C19 C20 C15B 113.8(11) . . ?
C19 C20 C15A 116.9(9) . . ?
C15B C20 C21 116.4(10) . . ?
C15A C20 C21 114.9(9) . . ?
C59 C54 C53 119.9(7) . . ?
C55 C54 C53 121.1(7) . . ?
C55 C54 C59 118.9(7) . . ?
C53 C52 C51 123.3(7) . . ?
C58 C59 C54 119.5(8) . . ?
O4 C14 C13 109.2(6) . . ?
C27 C28 C29 118.5(8) . . ?
C32 C33 C34 118.8(10) . . ?
C50 C45 C46 119.2(9) . . ?
C48 C47 C46 119.8(8) . . ?
C57 C56 C55 121.4(9) . . ?
C31 C30 C35 121.1(9) . . ?
C54 C55 C56 119.4(8) . . ?
C41 C40 C39 121.1(8) . . ?
C42 C41 C40 120.0(8) . . ?
C30 C31 C32 117.6(10) . . ?
C41 C42 C43 120.3(8) . . ?
C33 C32 C31 122.1(9) . . ?
C16B C15B C20 118.5(18) . . ?
C16B C17B C18 118(2) . . ?
C17B C16B C15B 123(2) . . ?
C28 C27 C26 121.1(8) . . ?
O12 C62 C63 114.3(8) . . ?
O13 C64 C65 108.3(11) . . ?
C20 C15A C16A 118.8(14) . . ?
C17A C16A C15A 119.7(16) . . ?
C18 C17A C16A 120.0(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 O2 C1 C2 -18.7(6) 2_656 . . . ?
Dy1 O2 C1 C2 163.1(4) . . . . ?
Dy1 O2 C1 C6 161.0(4) 2_656 . . . ?
Dy1 O2 C1 C6 -17.1(9) . . . . ?
Dy1 O5 C21 C22 -1.5(12) . . . . ?
Dy1 O5 C21 C20 178.4(5) . . . . ?
Dy1 O3 C8 N2 0.8(8) . . . . ?
Dy1 O3 C8 C9 179.1(4) . . . . ?
Dy1 O6 C23 C22 2.0(11) . . . . ?
Dy1 O6 C23 C24 -175.9(5) . . . . ?
Dy1 O11 C60 C61 178.6(5) . . . . ?
Dy1 O1 C2 C1 12.9(6) 2_656 . . . ?
Dy1 O1 C2 C3 -166.3(5) 2_656 . . . ?
Dy1 N1 C7 C6 11.5(9) . . . . ?
Dy2 O10 C53 C54 -153.5(5) . . . . ?
Dy2 O10 C53 C52 27.9(11) . . . . ?
Dy2 O3 C8 N2 -165.9(5) . . . . ?
Dy2 O3 C8 C9 12.3(7) . . . . ?
Dy2 O8 C38 C39 169.5(4) . . . . ?
Dy2 O8 C38 C37 -8.9(11) . . . . ?
Dy2 O1 C2 C1 -176.7(4) 2_656 . . . ?
Dy2 O1 C2 C3 4.0(9) 2_656 . . . ?
Dy2 O7 C36 C35 -148.7(5) . . . . ?
Dy2 O7 C36 C37 36.3(10) . . . . ?
Dy2 O9 C51 C50 167.9(5) . . . . ?
Dy2 O9 C51 C52 -10.7(11) . . . . ?
Dy2 O4 C14 C13 -10.5(8) . . . . ?
Dy2 N3 C9 C8 -7.6(7) . . . . ?
Dy2 N3 C9 C10 168.7(5) . . . . ?
Dy2 N3 C13 C12 -169.7(5) . . . . ?
Dy2 N3 C13 C14 10.4(8) . . . . ?
O10 C53 C54 C59 -31.5(10) . . . . ?
O10 C53 C54 C55 144.4(7) . . . . ?
O10 C53 C52 C51 2.5(12) . . . . ?
O2 C1 C6 C7 -3.6(9) . . . . ?
O2 C1 C6 C5 177.0(6) . . . . ?
O5 C21 C22 C23 1.2(12) . . . . ?
O5 C21 C20 C19 -176.4(9) . . . . ?
O5 C21 C20 C15B -20.8(15) . . . . ?
O5 C21 C20 C15A 22.7(14) . . . . ?
O3 C8 C9 N3 -2.0(8) . . . . ?
O3 C8 C9 C10 -178.3(6) . . . . ?
O6 C23 C22 C21 -1.4(11) . . . . ?
O6 C23 C24 C25 -164.0(7) . . . . ?
O6 C23 C24 C29 19.4(10) . . . . ?
O8 C38 C39 C44 -26.0(10) . . . . ?
O8 C38 C39 C40 153.2(7) . . . . ?
O8 C38 C37 C36 -14.3(11) . . . . ?
O1 C2 C1 O2 3.8(8) . . . . ?
O1 C2 C1 C6 -176.0(5) . . . . ?
O1 C2 C3 C4 178.1(6) . . . . ?
O7 C36 C35 C34 155.4(7) . . . . ?
O7 C36 C35 C30 -19.9(10) . . . . ?
O7 C36 C37 C38 1.0(12) . . . . ?
O9 C51 C50 C49 146.1(8) . . . . ?
O9 C51 C50 C45 -32.0(10) . . . . ?
O9 C51 C52 C53 -10.6(12) . . . . ?
N2 N1 C7 C6 -178.6(6) . . . . ?
N2 C8 C9 N3 176.4(5) . . . . ?
N2 C8 C9 C10 0.1(10) . . . . ?
N1 N2 C8 O3 3.3(8) . . . . ?
N1 N2 C8 C9 -174.9(5) . . . . ?
N1 C7 C6 C1 4.5(10) . . . . ?
N1 C7 C6 C5 -176.1(6) . . . . ?
N3 C9 C10 C11 0.3(10) . . . . ?
N3 C13 C12 C11 2.0(11) . . . . ?
N3 C13 C14 O4 -0.8(9) . . . . ?
C2 C1 C6 C7 176.1(6) . . . . ?
C2 C1 C6 C5 -3.2(9) . . . . ?
C8 N2 N1 Dy1 -5.5(6) . . . . ?
C8 N2 N1 C7 -176.7(5) . . . . ?
C8 C9 C10 C11 176.3(6) . . . . ?
C49 C50 C45 C46 1.8(14) . . . . ?
C49 C48 C47 C46 0.7(16) . . . . ?
C51 C50 C45 C46 180.0(8) . . . . ?
C9 N3 C13 C12 -1.5(9) . . . . ?
C9 N3 C13 C14 178.5(6) . . . . ?
C9 C10 C11 C12 0.2(11) . . . . ?
C38 C39 C40 C41 -178.7(8) . . . . ?
C1 C2 C3 C4 -1.1(10) . . . . ?
C4 C5 C6 C7 -178.4(6) . . . . ?
C4 C5 C6 C1 1.0(10) . . . . ?
C13 N3 C9 C8 -176.0(5) . . . . ?
C13 N3 C9 C10 0.4(10) . . . . ?
C13 C12 C11 C10 -1.3(11) . . . . ?
C36 C35 C34 C33 -177.2(8) . . . . ?
C36 C35 C30 C31 179.0(7) . . . . ?
C5 C4 C3 C2 -1.2(11) . . . . ?
C12 C13 C14 O4 179.3(6) . . . . ?
C44 C39 C40 C41 0.5(12) . . . . ?
C44 C43 C42 C41 -1.7(15) . . . . ?
C53 C54 C59 C58 176.2(7) . . . . ?
C53 C54 C55 C56 -175.5(8) . . . . ?
C58 C57 C56 C55 -0.2(16) . . . . ?
C18 C19 C20 C21 179.9(10) . . . . ?
C18 C19 C20 C15B 23.7(18) . . . . ?
C18 C19 C20 C15A -19.5(18) . . . . ?
C18 C17B C16B C15B -4(4) . . . . ?
C21 C20 C15B C16B -173.4(17) . . . . ?
C21 C20 C15A C16A 179.0(13) . . . . ?
C39 C38 C37 C36 167.4(7) . . . . ?
C39 C44 C43 C42 0.6(14) . . . . ?
C39 C40 C41 C42 -1.6(14) . . . . ?
C3 C2 C1 O2 -176.9(5) . . . . ?
C3 C2 C1 C6 3.3(8) . . . . ?
C3 C4 C5 C6 1.2(11) . . . . ?
C35 C36 C37 C38 -173.8(7) . . . . ?
C35 C34 C33 C32 -1.7(15) . . . . ?
C35 C30 C31 C32 -1.6(13) . . . . ?
C19 C18 C17B C16B 12(3) . . . . ?
C19 C18 C17A C16A -8(3) . . . . ?
C19 C20 C15B C16B -15(3) . . . . ?
C19 C20 C15A C16A 16(2) . . . . ?
C22 C21 C20 C19 3.5(14) . . . . ?
C22 C21 C20 C15B 159.2(13) . . . . ?
C22 C21 C20 C15A -157.4(11) . . . . ?
C22 C23 C24 C25 18.0(11) . . . . ?
C22 C23 C24 C29 -158.5(8) . . . . ?
C37 C38 C39 C44 152.4(7) . . . . ?
C37 C38 C39 C40 -28.4(11) . . . . ?
C37 C36 C35 C34 -29.3(10) . . . . ?
C37 C36 C35 C30 155.4(7) . . . . ?
C57 C58 C59 C54 -1.0(13) . . . . ?
C57 C56 C55 C54 -0.4(15) . . . . ?
C50 C49 C48 C47 -0.8(15) . . . . ?
C50 C51 C52 C53 170.7(7) . . . . ?
C25 C26 C27 C28 -0.4(15) . . . . ?
C43 C44 C39 C38 179.2(7) . . . . ?
C43 C44 C39 C40 0.0(12) . . . . ?
C34 C35 C30 C31 3.6(12) . . . . ?
C34 C33 C32 C31 3.8(17) . . . . ?
C29 C28 C27 C26 -0.8(15) . . . . ?
C26 C25 C24 C23 -176.9(7) . . . . ?
C26 C25 C24 C29 -0.3(12) . . . . ?
C24 C23 C22 C21 176.4(7) . . . . ?
C24 C25 C26 C27 1.0(14) . . . . ?
C24 C29 C28 C27 1.5(15) . . . . ?
C48 C49 C50 C51 -178.6(8) . . . . ?
C48 C49 C50 C45 -0.4(13) . . . . ?
C20 C21 C22 C23 -178.7(7) . . . . ?
C20 C15B C16B C17B 6(4) . . . . ?
C20 C15A C16A C17A -9(3) . . . . ?
C54 C53 C52 C51 -176.0(7) . . . . ?
C52 C51 C50 C49 -35.2(11) . . . . ?
C52 C51 C50 C45 146.7(8) . . . . ?
C52 C53 C54 C59 147.1(7) . . . . ?
C52 C53 C54 C55 -37.0(11) . . . . ?
C59 C58 C57 C56 1.0(15) . . . . ?
C59 C54 C55 C56 0.4(12) . . . . ?
C14 C13 C12 C11 -178.0(7) . . . . ?
C28 C29 C24 C23 175.8(8) . . . . ?
C28 C29 C24 C25 -1.0(13) . . . . ?
C45 C46 C47 C48 0.7(17) . . . . ?
C47 C46 C45 C50 -1.9(16) . . . . ?
C30 C35 C34 C33 -1.9(13) . . . . ?
C30 C31 C32 C33 -2.1(15) . . . . ?
C55 C54 C59 C58 0.3(11) . . . . ?
C40 C41 C42 C43 2.2(16) . . . . ?
C17B C18 C19 C20 -23(2) . . . . ?
C15A C16A C17A C18 5(3) . . . . ?
C17A C18 C19 C20 15(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_4
_database_code_depnum_ccdc_archive 'CCDC 1955476'
loop_
_audit_author_name
_audit_author_address
'Zhilei Wu'
;Hebei University
China
;
_audit_update_record             
;
2020-05-03 deposited with the CCDC.	2020-05-04 downloaded from the CCDC.
;
_audit_creation_date             2020-04-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C126 H106 Dy4 N6 O22, 2(C4 H10 O)'
_chemical_formula_sum            'C134 H126 Dy4 N6 O24'
_chemical_formula_weight         2854.40
_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                   14.6270(8)
_cell_length_b                   15.2556(9)
_cell_length_c                   16.3344(10)
_cell_angle_alpha                96.483(3)
_cell_angle_beta                 111.337(2)
_cell_angle_gamma                113.055(3)
_cell_volume                     2982.0(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9987
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.41
_cell_measurement_theta_min      2.36
_shelx_estimated_absorpt_T_max   0.716
_shelx_estimated_absorpt_T_min   0.557
_exptl_absorpt_coefficient_mu    2.553
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6086
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0794 before and 0.0603 after correction.
The Ratio of minimum to maximum transmission is 0.8165.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1428
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0849
_diffrn_reflns_av_unetI/netI     0.0726
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            46229
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.022
_diffrn_reflns_theta_min         2.355
_diffrn_ambient_temperature      149.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8195
_reflns_number_total             11707
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         2.565
_refine_diff_density_min         -0.921
_refine_diff_density_rms         0.153
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     766
_refine_ls_number_reflns         11707
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0393
_refine_ls_restrained_S_all      1.022
_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)+(0.0500P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0880
_refine_ls_wR_factor_ref         0.1017
_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) groups
2. Restrained distances
 O11-H11
 0.87 with sigma of 0.01
 O4-H4
 0.87 with sigma of 0.01
 C60-H11
 1.904349 with sigma of 0.02
 Dy1-H11
 2.861435 with sigma of 0.02
 C14-H4
 1.896009 with sigma of 0.02
 Dy2-H4
 2.95529 with sigma of 0.02
3.a Secondary CH2 refined with riding coordinates:
 C60(H60A,H60B), C65(H65A,H65B), C14(H14A,H14B), C64(H64A,H64B), C66(H66A,
 H66B), C62(H62A,H62B), C61(H61A,H61B)
3.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C7(H7), C29(H29), C5(H5), C19(H19), C11(H11A), C12(H12), C34(H34),
 C17(H17), C4(H4A), C49(H49), C55(H55), C56(H56), C48(H48), C27(H27), C25(H25),
 C47(H47), C37(H37), C28(H28), C22(H22), C59(H59), C52(H52), C40(H40), C3(H3),
 C46(H46), C30(H30), C57(H57), C42(H42), C45(H45), C15(H15), C41(H41), C33(H33),
  C44(H44), C43(H43), C58(H58), C32(H32), C18(H18), C26(H26), C31(H31), C16(H16)
3.c Idealised Me refined as rotating group:
 C63(H63A,H63B,H63C), C67(H67A,H67B,H67C)
3.d Idealised tetrahedral OH refined as rotating group:
 O12(H12A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.37009(2) 0.88134(2) 0.92605(2) 0.01515(8) Uani 1 1 d D . . . .
Dy2 Dy 0.25301(2) 0.68670(2) 0.69636(2) 0.01768(8) Uani 1 1 d D . . . .
O9 O 0.3673(3) 0.7021(3) 0.6267(3) 0.0275(10) Uani 1 1 d . . . . .
O2 O 0.4841(3) 0.9774(3) 1.0737(2) 0.0163(8) Uani 1 1 d . . . . .
O1 O 0.6267(3) 1.1460(3) 1.2163(2) 0.0171(8) Uani 1 1 d . . . . .
O6 O 0.2990(3) 0.9850(3) 0.8665(3) 0.0311(10) Uani 1 1 d . . . . .
O10 O 0.3676(3) 0.6165(3) 0.7632(3) 0.0290(10) Uani 1 1 d . . . . .
O7 O 0.1936(3) 0.7475(3) 0.5747(3) 0.0235(9) Uani 1 1 d . . . . .
O11 O 0.5295(4) 0.8444(4) 0.9771(3) 0.0366(11) Uani 1 1 d D . . . .
H11 H 0.579(2) 0.891(3) 1.030(2) 0.055 Uiso 1 1 d DR . . . .
N1 N 0.3395(4) 0.7669(3) 1.0209(3) 0.0176(10) Uani 1 1 d . . . . .
O5 O 0.2085(3) 0.8489(3) 0.9392(3) 0.0310(10) Uani 1 1 d . . . . .
O4 O 0.1381(4) 0.5341(3) 0.5750(3) 0.0292(10) Uani 1 1 d D . . . .
H4 H 0.136(5) 0.5278(16) 0.5198(15) 0.044 Uiso 1 1 d DR . . . .
O8 O 0.0828(3) 0.6878(3) 0.6761(3) 0.0253(10) Uani 1 1 d . . . . .
N2 N 0.2727(4) 0.6640(3) 0.9748(3) 0.0203(11) Uani 1 1 d . . . . .
C8 C 0.2454(4) 0.6470(4) 0.8879(4) 0.0179(12) Uani 1 1 d . . . . .
N3 N 0.1578(4) 0.5331(3) 0.7384(3) 0.0197(10) Uani 1 1 d . . . . .
O12 O -0.0935(4) 0.4885(3) 0.5970(3) 0.0358(11) Uani 1 1 d . . . . .
H12A H -0.041396 0.544728 0.632258 0.054 Uiso 1 1 calc GR . . . .
C9 C 0.1799(5) 0.5417(4) 0.8267(4) 0.0182(12) Uani 1 1 d . . . . .
C10 C 0.1505(5) 0.4593(4) 0.8593(4) 0.0252(14) Uani 1 1 d . . . . .
H10 H 0.167584 0.467776 0.922513 0.030 Uiso 1 1 calc R . . . .
C2 C 0.5644(4) 1.0639(4) 1.2322(4) 0.0147(11) Uani 1 1 d . . . . .
C7 C 0.3650(5) 0.7884(4) 1.1083(4) 0.0211(13) Uani 1 1 d . . . . .
H7 H 0.336022 0.734009 1.130461 0.025 Uiso 1 1 calc R . . . .
C13 C 0.1070(5) 0.4417(4) 0.6787(4) 0.0249(14) Uani 1 1 d . . . . .
C29 C 0.2865(7) 1.1191(6) 0.7695(6) 0.056(2) Uani 1 1 d . . . . .
H29 H 0.355685 1.119890 0.801682 0.067 Uiso 1 1 calc R . . . .
C5 C 0.4405(5) 0.8902(4) 1.2636(4) 0.0252(14) Uani 1 1 d . . . . .
H5 H 0.400398 0.830853 1.275091 0.030 Uiso 1 1 calc R . . . .
C36 C 0.1513(5) 0.8056(4) 0.5634(4) 0.0224(13) Uani 1 1 d . . . . .
C6 C 0.4331(5) 0.8867(4) 1.1754(4) 0.0197(12) Uani 1 1 d . . . . .
C19 C -0.0230(6) 0.8697(6) 0.9541(6) 0.050(2) Uani 1 1 d . . . . .
H19 H -0.015621 0.928856 0.937280 0.060 Uiso 1 1 calc R . . . .
C11 C 0.0959(5) 0.3651(4) 0.7977(4) 0.0310(15) Uani 1 1 d . . . . .
H11A H 0.073370 0.307361 0.817465 0.037 Uiso 1 1 calc R . . . .
C1 C 0.4925(4) 0.9746(4) 1.1581(4) 0.0175(12) Uani 1 1 d . . . . .
C12 C 0.0748(5) 0.3562(4) 0.7069(4) 0.0304(15) Uani 1 1 d . . . . .
H12 H 0.038382 0.292084 0.663625 0.037 Uiso 1 1 calc R . . . .
C34 C 0.1790(6) 0.9646(6) 0.5205(6) 0.050(2) Uani 1 1 d . . . . .
H34 H 0.157540 0.984492 0.564741 0.060 Uiso 1 1 calc R . . . .
C20 C 0.0462(5) 0.8295(5) 0.9483(5) 0.0356(16) Uani 1 1 d . . . . .
C17 C -0.1195(7) 0.7357(8) 1.0019(7) 0.073(3) Uani 1 1 d . . . . .
H17 H -0.178678 0.702267 1.016800 0.088 Uiso 1 1 calc R . . . .
C4 C 0.5049(5) 0.9785(4) 1.3337(4) 0.0270(15) Uani 1 1 d . . . . .
H4A H 0.506273 0.980489 1.392503 0.032 Uiso 1 1 calc R . . . .
C49 C 0.4826(5) 0.7641(5) 0.5219(5) 0.0353(16) Uani 1 1 d . . . . .
H49 H 0.485275 0.817688 0.560234 0.042 Uiso 1 1 calc R . . . .
C23 C 0.2068(5) 0.9877(4) 0.8367(4) 0.0249(14) Uani 1 1 d . . . . .
C55 C 0.5676(6) 0.5265(6) 0.8161(5) 0.0438(19) Uani 1 1 d . . . . .
H55 H 0.612620 0.564888 0.790558 0.053 Uiso 1 1 calc R . . . .
C56 C 0.6023(7) 0.4712(6) 0.8694(5) 0.048(2) Uani 1 1 d . . . . .
H56 H 0.670560 0.471543 0.879055 0.058 Uiso 1 1 calc R . . . .
C38 C 0.0378(5) 0.7404(5) 0.6429(4) 0.0256(14) Uani 1 1 d . . . . .
C24 C 0.1933(5) 1.0543(5) 0.7771(4) 0.0291(15) Uani 1 1 d . . . . .
C51 C 0.4203(5) 0.6562(4) 0.6144(4) 0.0256(14) Uani 1 1 d . . . . .
C48 C 0.5079(6) 0.7767(6) 0.4484(5) 0.0450(19) Uani 1 1 d . . . . .
H48 H 0.530379 0.840135 0.437925 0.054 Uiso 1 1 calc R . . . .
C54 C 0.4686(5) 0.5262(5) 0.7997(4) 0.0301(15) Uani 1 1 d . . . . .
C53 C 0.4256(5) 0.5828(5) 0.7412(4) 0.0280(14) Uani 1 1 d . . . . .
C27 C 0.1817(7) 1.1841(6) 0.6699(6) 0.053(2) Uani 1 1 d . . . . .
H27 H 0.177033 1.228082 0.633587 0.063 Uiso 1 1 calc R . . . .
C25 C 0.0970(6) 1.0560(6) 0.7296(6) 0.054(2) Uani 1 1 d . . . . .
H25 H 0.031436 1.011294 0.731658 0.065 Uiso 1 1 calc R . . . .
C47 C 0.5012(7) 0.6993(7) 0.3910(5) 0.052(2) Uani 1 1 d . . . . .
H47 H 0.517198 0.708818 0.340296 0.062 Uiso 1 1 calc R . . . .
C60 C 0.5797(6) 0.7925(6) 0.9496(5) 0.047(2) Uani 1 1 d D . . . .
H60A H 0.528705 0.720020 0.929530 0.056 Uiso 1 1 calc R . . . .
H60B H 0.648196 0.806105 1.003740 0.056 Uiso 1 1 calc R . . . .
C37 C 0.0758(5) 0.8066(4) 0.5963(4) 0.0225(13) Uani 1 1 d . . . . .
H37 H 0.049329 0.854199 0.586698 0.027 Uiso 1 1 calc R . . . .
C28 C 0.2793(8) 1.1822(7) 0.7155(7) 0.067(3) Uani 1 1 d . . . . .
H28 H 0.343371 1.224704 0.710197 0.080 Uiso 1 1 calc R . . . .
C50 C 0.4532(5) 0.6720(5) 0.5383(4) 0.0306(15) Uani 1 1 d . . . . .
C35 C 0.1801(5) 0.8725(5) 0.5067(5) 0.0323(16) Uani 1 1 d . . . . .
C22 C 0.1233(5) 0.9361(5) 0.8599(4) 0.0294(15) Uani 1 1 d . . . . .
H22 H 0.057445 0.942961 0.837091 0.035 Uiso 1 1 calc R . . . .
C59 C 0.4056(6) 0.4697(6) 0.8392(6) 0.053(2) Uani 1 1 d . . . . .
H59 H 0.337287 0.469115 0.829676 0.064 Uiso 1 1 calc R . . . .
C65 C -0.1171(6) 0.4506(6) 0.7302(5) 0.0453(19) Uani 1 1 d . . . . .
H65A H -0.088856 0.401378 0.729260 0.054 Uiso 1 1 calc R . . . .
H65B H -0.052038 0.516865 0.766688 0.054 Uiso 1 1 calc R . . . .
C52 C 0.4482(5) 0.5963(5) 0.6661(4) 0.0296(15) Uani 1 1 d . . . . .
H52 H 0.484550 0.562744 0.649523 0.036 Uiso 1 1 calc R . . . .
C21 C 0.1326(5) 0.8737(5) 0.9164(4) 0.0288(14) Uani 1 1 d . . . . .
C39 C -0.0632(5) 0.7282(5) 0.6545(4) 0.0276(14) Uani 1 1 d . . . . .
C40 C -0.0779(5) 0.6982(5) 0.7276(5) 0.0349(16) Uani 1 1 d . . . . .
H40 H -0.024450 0.683908 0.769380 0.042 Uiso 1 1 calc R . . . .
C3 C 0.5681(5) 1.0651(4) 1.3188(4) 0.0226(13) Uani 1 1 d . . . . .
H3 H 0.614193 1.125475 1.368033 0.027 Uiso 1 1 calc R . . . .
C46 C 0.4714(7) 0.6087(7) 0.4066(5) 0.058(2) Uani 1 1 d . . . . .
H46 H 0.466427 0.555038 0.366463 0.070 Uiso 1 1 calc R . . . .
C30 C 0.2130(6) 0.8446(6) 0.4428(5) 0.0434(19) Uani 1 1 d . . . . .
H30 H 0.216275 0.783374 0.435154 0.052 Uiso 1 1 calc R . . . .
C14 C 0.0920(5) 0.4362(4) 0.5827(4) 0.0274(14) Uani 1 1 d D . . . .
H14A H 0.129258 0.399841 0.566682 0.033 Uiso 1 1 calc R . . . .
H14B H 0.011970 0.399276 0.539315 0.033 Uiso 1 1 calc R . . . .
C64 C -0.1707(6) 0.4529(6) 0.6331(5) 0.0425(19) Uani 1 1 d . . . . .
H64A H -0.229193 0.384658 0.593595 0.051 Uiso 1 1 calc R . . . .
H64B H -0.206580 0.496184 0.631688 0.051 Uiso 1 1 calc R . . . .
C57 C 0.5415(7) 0.4161(7) 0.9087(6) 0.059(2) Uani 1 1 d . . . . .
H57 H 0.567236 0.379803 0.946555 0.071 Uiso 1 1 calc R . . . .
C42 C -0.2487(6) 0.7055(6) 0.6790(6) 0.047(2) Uani 1 1 d . . . . .
H42 H -0.312068 0.697701 0.687376 0.056 Uiso 1 1 calc R . . . .
C45 C 0.4481(6) 0.5937(6) 0.4809(5) 0.0442(19) Uani 1 1 d . . . . .
H45 H 0.428877 0.530783 0.492271 0.053 Uiso 1 1 calc R . . . .
C15 C 0.0323(6) 0.7408(6) 0.9726(5) 0.051(2) Uani 1 1 d . . . . .
H15 H 0.079950 0.713235 0.971147 0.061 Uiso 1 1 calc R . . . .
C66 C -0.1875(7) 0.4259(7) 0.7794(6) 0.063(3) Uani 1 1 d . . . . .
H66A H -0.252635 0.359402 0.744106 0.075 Uiso 1 1 calc R . . . .
H66B H -0.215200 0.475350 0.782089 0.075 Uiso 1 1 calc R . . . .
C41 C -0.1694(6) 0.6887(6) 0.7411(5) 0.0453(19) Uani 1 1 d . . . . .
H41 H -0.176927 0.670602 0.792939 0.054 Uiso 1 1 calc R . . . .
C62 C 0.6934(7) 0.9226(6) 0.8988(6) 0.058(2) Uani 1 1 d . . . . .
H62A H 0.760426 0.936320 0.954475 0.069 Uiso 1 1 calc R . . . .
H62B H 0.663958 0.967395 0.913696 0.069 Uiso 1 1 calc R . . . .
C33 C 0.2097(7) 1.0258(7) 0.4688(7) 0.068(3) Uani 1 1 d . . . . .
H33 H 0.211790 1.089275 0.479093 0.081 Uiso 1 1 calc R . . . .
C44 C -0.1452(6) 0.7451(6) 0.5933(5) 0.0422(18) Uani 1 1 d . . . . .
H44 H -0.137651 0.765037 0.542138 0.051 Uiso 1 1 calc R . . . .
C61 C 0.6096(7) 0.8185(6) 0.8720(6) 0.058(2) Uani 1 1 d . . . . .
H61A H 0.638020 0.774286 0.853814 0.069 Uiso 1 1 calc R . . . .
H61B H 0.541801 0.806152 0.817755 0.069 Uiso 1 1 calc R . . . .
O3 O 0.2722(3) 0.7148(3) 0.8462(2) 0.0191(9) Uani 1 1 d . . . . .
C63 C 0.7258(8) 0.9442(8) 0.8163(7) 0.084(3) Uani 1 1 d . . . . .
H63A H 0.659896 0.933288 0.762063 0.126 Uiso 1 1 calc GR . . . .
H63B H 0.753736 0.899099 0.801026 0.126 Uiso 1 1 calc GR . . . .
H63C H 0.783369 1.013531 0.835620 0.126 Uiso 1 1 calc GR . . . .
C67 C -0.1256(7) 0.4252(7) 0.8763(6) 0.069(3) Uani 1 1 d . . . . .
H67A H -0.108963 0.369003 0.873713 0.104 Uiso 1 1 calc GR . . . .
H67B H -0.171714 0.418410 0.908609 0.104 Uiso 1 1 calc GR . . . .
H67C H -0.056188 0.487872 0.909230 0.104 Uiso 1 1 calc GR . . . .
C43 C -0.2377(6) 0.7334(6) 0.6054(6) 0.053(2) Uani 1 1 d . . . . .
H43 H -0.293202 0.744777 0.562614 0.064 Uiso 1 1 calc R . . . .
C58 C 0.4410(7) 0.4149(7) 0.8915(6) 0.070(3) Uani 1 1 d . . . . .
H58 H 0.395870 0.375525 0.916432 0.084 Uiso 1 1 calc R . . . .
C32 C 0.2375(7) 0.9955(7) 0.4019(6) 0.068(3) Uani 1 1 d . . . . .
H32 H 0.253988 1.036451 0.364278 0.081 Uiso 1 1 calc R . . . .
C18 C -0.1020(7) 0.8246(8) 0.9839(7) 0.071(3) Uani 1 1 d . . . . .
H18 H -0.144465 0.855698 0.991871 0.086 Uiso 1 1 calc R . . . .
C26 C 0.0916(7) 1.1214(6) 0.6779(6) 0.064(3) Uani 1 1 d . . . . .
H26 H 0.023071 1.122328 0.647397 0.077 Uiso 1 1 calc R . . . .
C31 C 0.2413(7) 0.9062(7) 0.3899(6) 0.060(2) Uani 1 1 d . . . . .
H31 H 0.263166 0.886863 0.345742 0.072 Uiso 1 1 calc R . . . .
C16 C -0.0509(7) 0.6933(8) 0.9987(7) 0.075(3) Uani 1 1 d . . . . .
H16 H -0.061036 0.632991 1.014010 0.089 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy1 3.7356(5) 2_677 ?
Dy1 Dy2 3.8277(4) . ?
Dy1 O2 2.259(4) . ?
Dy1 O2 2.363(4) 2_677 ?
Dy1 O1 2.336(3) 2_677 ?
Dy1 O6 2.330(4) . ?
Dy1 O11 2.484(4) . ?
Dy1 N1 2.480(5) . ?
Dy1 O5 2.314(4) . ?
Dy1 O3 2.292(4) . ?
Dy2 O9 2.298(4) . ?
Dy2 O1 2.341(4) 2_677 ?
Dy2 O10 2.343(4) . ?
Dy2 O7 2.314(4) . ?
Dy2 O4 2.376(4) . ?
Dy2 O8 2.397(4) . ?
Dy2 N3 2.531(5) . ?
Dy2 O3 2.329(3) . ?
O9 C51 1.279(7) . ?
O2 C1 1.346(6) . ?
O1 C2 1.349(6) . ?
O6 C23 1.276(7) . ?
O10 C53 1.278(7) . ?
O7 C36 1.259(7) . ?
O11 C60 1.408(8) . ?
N1 N2 1.408(6) . ?
N1 C7 1.303(7) . ?
O5 C21 1.255(7) . ?
O4 C14 1.421(7) . ?
O8 C38 1.274(7) . ?
N2 C8 1.290(7) . ?
C8 C9 1.493(7) . ?
C8 O3 1.312(6) . ?
N3 C9 1.337(7) . ?
N3 C13 1.343(7) . ?
O12 C64 1.411(7) . ?
C9 C10 1.394(8) . ?
C10 C11 1.381(8) . ?
C2 C1 1.416(7) . ?
C2 C3 1.393(7) . ?
C7 C6 1.451(8) . ?
C13 C12 1.395(8) . ?
C13 C14 1.489(8) . ?
C29 C24 1.395(9) . ?
C29 C28 1.385(10) . ?
C5 C6 1.397(8) . ?
C5 C4 1.373(8) . ?
C36 C37 1.398(8) . ?
C36 C35 1.496(8) . ?
C6 C1 1.409(8) . ?
C19 C20 1.398(9) . ?
C19 C18 1.381(10) . ?
C11 C12 1.379(8) . ?
C34 C35 1.404(10) . ?
C34 C33 1.384(10) . ?
C20 C21 1.488(9) . ?
C20 C15 1.412(10) . ?
C17 C18 1.367(12) . ?
C17 C16 1.403(12) . ?
C4 C3 1.393(8) . ?
C49 C48 1.392(9) . ?
C49 C50 1.388(9) . ?
C23 C24 1.503(9) . ?
C23 C22 1.381(8) . ?
C55 C56 1.381(10) . ?
C55 C54 1.373(9) . ?
C56 C57 1.364(11) . ?
C38 C37 1.396(8) . ?
C38 C39 1.499(8) . ?
C24 C25 1.351(9) . ?
C51 C50 1.499(8) . ?
C51 C52 1.390(9) . ?
C48 C47 1.369(10) . ?
C54 C53 1.492(9) . ?
C54 C59 1.395(9) . ?
C53 C52 1.399(8) . ?
C27 C28 1.363(11) . ?
C27 C26 1.356(11) . ?
C25 C26 1.384(10) . ?
C47 C46 1.363(11) . ?
C60 C61 1.529(11) . ?
C50 C45 1.392(9) . ?
C35 C30 1.389(9) . ?
C22 C21 1.410(9) . ?
C59 C58 1.368(10) . ?
C65 C64 1.504(9) . ?
C65 C66 1.488(9) . ?
C39 C40 1.384(9) . ?
C39 C44 1.391(9) . ?
C40 C41 1.389(9) . ?
C46 C45 1.394(10) . ?
C30 C31 1.393(10) . ?
C57 C58 1.386(11) . ?
C42 C41 1.370(10) . ?
C42 C43 1.362(10) . ?
C15 C16 1.394(10) . ?
C66 C67 1.514(11) . ?
C62 C61 1.464(11) . ?
C62 C63 1.610(11) . ?
C33 C32 1.389(12) . ?
C44 C43 1.383(9) . ?
C32 C31 1.380(12) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Dy1 Dy1 Dy2 136.890(11) 2_677 . ?
O2 Dy1 Dy1 37.03(9) . 2_677 ?
O2 Dy1 Dy1 35.15(8) 2_677 2_677 ?
O2 Dy1 Dy2 159.93(9) . . ?
O2 Dy1 Dy2 104.84(8) 2_677 . ?
O2 Dy1 O2 72.18(14) . 2_677 ?
O2 Dy1 O1 139.71(12) . 2_677 ?
O2 Dy1 O6 100.56(15) . . ?
O2 Dy1 O11 76.10(14) 2_677 . ?
O2 Dy1 O11 73.78(14) . . ?
O2 Dy1 N1 139.41(14) 2_677 . ?
O2 Dy1 N1 74.47(14) . . ?
O2 Dy1 O5 94.69(14) . . ?
O2 Dy1 O3 137.53(13) . . ?
O1 Dy1 Dy1 104.31(9) 2_677 2_677 ?
O1 Dy1 Dy2 35.11(9) 2_677 . ?
O1 Dy1 O2 70.22(12) 2_677 2_677 ?
O1 Dy1 O11 83.61(14) 2_677 . ?
O1 Dy1 N1 130.03(14) 2_677 . ?
O6 Dy1 Dy1 84.92(11) . 2_677 ?
O6 Dy1 Dy2 97.08(11) . . ?
O6 Dy1 O2 71.63(14) . 2_677 ?
O6 Dy1 O1 80.92(14) . 2_677 ?
O6 Dy1 O11 147.33(15) . . ?
O6 Dy1 N1 137.73(15) . . ?
O11 Dy1 Dy1 71.28(11) . 2_677 ?
O11 Dy1 Dy2 86.20(11) . . ?
N1 Dy1 Dy1 108.57(10) . 2_677 ?
N1 Dy1 Dy2 98.60(10) . . ?
N1 Dy1 O11 72.89(15) . . ?
O5 Dy1 Dy1 120.14(11) . 2_677 ?
O5 Dy1 Dy2 100.40(11) . . ?
O5 Dy1 O2 135.69(14) . 2_677 ?
O5 Dy1 O1 122.49(14) . 2_677 ?
O5 Dy1 O6 69.58(15) . . ?
O5 Dy1 O11 141.96(15) . . ?
O5 Dy1 N1 69.09(15) . . ?
O3 Dy1 Dy1 153.98(10) . 2_677 ?
O3 Dy1 Dy2 34.38(9) . . ?
O3 Dy1 O2 135.68(12) . 2_677 ?
O3 Dy1 O1 69.00(12) . 2_677 ?
O3 Dy1 O6 117.40(15) . . ?
O3 Dy1 O11 82.86(15) . . ?
O3 Dy1 N1 64.85(13) . . ?
O3 Dy1 O5 82.28(15) . . ?
O9 Dy2 Dy1 117.78(11) . . ?
O9 Dy2 O1 87.51(13) . 2_677 ?
O9 Dy2 O10 71.36(14) . . ?
O9 Dy2 O7 73.40(14) . . ?
O9 Dy2 O4 81.14(15) . . ?
O9 Dy2 O8 142.75(14) . . ?
O9 Dy2 N3 124.70(14) . . ?
O9 Dy2 O3 136.84(14) . . ?
O1 Dy2 Dy1 35.02(8) 2_677 . ?
O1 Dy2 O10 99.20(14) 2_677 . ?
O1 Dy2 O4 164.38(13) 2_677 . ?
O1 Dy2 O8 97.52(13) 2_677 . ?
O1 Dy2 N3 132.22(13) 2_677 . ?
O10 Dy2 Dy1 92.08(10) . . ?
O10 Dy2 O4 87.34(16) . . ?
O10 Dy2 O8 142.58(14) . . ?
O10 Dy2 N3 66.28(15) . . ?
O7 Dy2 Dy1 110.52(10) . . ?
O7 Dy2 O1 85.99(14) . 2_677 ?
O7 Dy2 O10 144.07(14) . . ?
O7 Dy2 O4 80.53(14) . . ?
O7 Dy2 O8 70.21(13) . . ?
O7 Dy2 N3 133.17(15) . . ?
O7 Dy2 O3 135.62(13) . . ?
O4 Dy2 Dy1 159.79(10) . . ?
O4 Dy2 O8 85.35(15) . . ?
O4 Dy2 N3 63.39(14) . . ?
O8 Dy2 Dy1 82.87(9) . . ?
O8 Dy2 N3 77.70(15) . . ?
N3 Dy2 Dy1 97.95(10) . . ?
O3 Dy2 Dy1 33.75(9) . . ?
O3 Dy2 O1 68.29(12) . 2_677 ?
O3 Dy2 O10 77.73(14) . . ?
O3 Dy2 O4 127.21(13) . . ?
O3 Dy2 O8 77.81(13) . . ?
O3 Dy2 N3 64.22(14) . . ?
C51 O9 Dy2 135.7(4) . . ?
Dy1 O2 Dy1 107.82(14) . 2_677 ?
C1 O2 Dy1 114.1(3) . 2_677 ?
C1 O2 Dy1 138.1(3) . . ?
Dy1 O1 Dy2 109.86(14) 2_677 2_677 ?
C2 O1 Dy1 115.2(3) . 2_677 ?
C2 O1 Dy2 134.7(3) . 2_677 ?
C23 O6 Dy1 138.4(4) . . ?
C53 O10 Dy2 136.6(4) . . ?
C36 O7 Dy2 132.4(4) . . ?
C60 O11 Dy1 145.2(4) . . ?
N2 N1 Dy1 117.7(3) . . ?
C7 N1 Dy1 129.0(4) . . ?
C7 N1 N2 112.7(4) . . ?
C21 O5 Dy1 140.1(4) . . ?
C14 O4 Dy2 127.4(3) . . ?
C38 O8 Dy2 132.9(4) . . ?
C8 N2 N1 110.4(4) . . ?
N2 C8 C9 119.3(5) . . ?
N2 C8 O3 125.8(5) . . ?
O3 C8 C9 114.8(5) . . ?
C9 N3 Dy2 118.6(4) . . ?
C9 N3 C13 119.0(5) . . ?
C13 N3 Dy2 120.6(4) . . ?
N3 C9 C8 114.0(5) . . ?
N3 C9 C10 122.6(5) . . ?
C10 C9 C8 123.2(5) . . ?
C11 C10 C9 118.6(6) . . ?
O1 C2 C1 118.6(4) . . ?
O1 C2 C3 121.8(5) . . ?
C3 C2 C1 119.6(5) . . ?
N1 C7 C6 126.8(5) . . ?
N3 C13 C12 121.1(6) . . ?
N3 C13 C14 117.0(5) . . ?
C12 C13 C14 121.8(5) . . ?
C28 C29 C24 120.8(8) . . ?
C4 C5 C6 120.8(5) . . ?
O7 C36 C37 123.8(5) . . ?
O7 C36 C35 116.9(5) . . ?
C37 C36 C35 119.3(6) . . ?
C5 C6 C7 115.3(5) . . ?
C5 C6 C1 119.8(5) . . ?
C1 C6 C7 124.9(5) . . ?
C18 C19 C20 120.9(8) . . ?
C12 C11 C10 118.8(6) . . ?
O2 C1 C2 118.3(5) . . ?
O2 C1 C6 122.7(5) . . ?
C6 C1 C2 119.0(5) . . ?
C11 C12 C13 119.9(6) . . ?
C33 C34 C35 119.0(8) . . ?
C19 C20 C21 123.8(6) . . ?
C19 C20 C15 118.2(6) . . ?
C15 C20 C21 118.0(6) . . ?
C18 C17 C16 120.5(8) . . ?
C5 C4 C3 120.1(5) . . ?
C50 C49 C48 119.0(7) . . ?
O6 C23 C24 117.0(5) . . ?
O6 C23 C22 123.0(6) . . ?
C22 C23 C24 120.0(6) . . ?
C54 C55 C56 120.4(7) . . ?
C57 C56 C55 122.0(7) . . ?
O8 C38 C37 124.3(6) . . ?
O8 C38 C39 116.8(5) . . ?
C37 C38 C39 118.9(6) . . ?
C29 C24 C23 118.1(6) . . ?
C25 C24 C29 117.1(7) . . ?
C25 C24 C23 124.8(6) . . ?
O9 C51 C50 114.8(6) . . ?
O9 C51 C52 124.8(6) . . ?
C52 C51 C50 120.4(5) . . ?
C47 C48 C49 121.1(7) . . ?
C55 C54 C53 122.9(6) . . ?
C55 C54 C59 118.0(7) . . ?
C59 C54 C53 119.1(6) . . ?
O10 C53 C54 116.6(5) . . ?
O10 C53 C52 123.0(6) . . ?
C52 C53 C54 120.4(6) . . ?
C26 C27 C28 117.9(8) . . ?
C24 C25 C26 121.5(7) . . ?
C46 C47 C48 119.9(7) . . ?
O11 C60 C61 115.1(7) . . ?
C38 C37 C36 122.5(6) . . ?
C27 C28 C29 121.0(8) . . ?
C49 C50 C51 119.4(6) . . ?
C49 C50 C45 120.0(6) . . ?
C45 C50 C51 120.6(6) . . ?
C34 C35 C36 120.7(6) . . ?
C30 C35 C36 119.1(6) . . ?
C30 C35 C34 120.1(6) . . ?
C23 C22 C21 122.1(6) . . ?
C58 C59 C54 120.8(7) . . ?
C66 C65 C64 117.1(6) . . ?
C51 C52 C53 123.3(6) . . ?
O5 C21 C20 116.6(6) . . ?
O5 C21 C22 123.6(6) . . ?
C22 C21 C20 119.7(6) . . ?
C40 C39 C38 120.1(6) . . ?
C40 C39 C44 117.5(6) . . ?
C44 C39 C38 122.3(6) . . ?
C39 C40 C41 121.2(7) . . ?
C2 C3 C4 120.6(5) . . ?
C47 C46 C45 120.7(7) . . ?
C35 C30 C31 120.1(8) . . ?
O4 C14 C13 109.7(5) . . ?
O12 C64 C65 112.3(6) . . ?
C56 C57 C58 117.8(8) . . ?
C43 C42 C41 120.8(7) . . ?
C50 C45 C46 119.3(7) . . ?
C16 C15 C20 120.5(8) . . ?
C65 C66 C67 112.7(7) . . ?
C42 C41 C40 119.5(7) . . ?
C61 C62 C63 110.1(7) . . ?
C34 C33 C32 120.7(9) . . ?
C43 C44 C39 121.4(7) . . ?
C62 C61 C60 112.4(7) . . ?
Dy1 O3 Dy2 111.86(15) . . ?
C8 O3 Dy1 120.9(3) . . ?
C8 O3 Dy2 126.7(3) . . ?
C42 C43 C44 119.6(7) . . ?
C59 C58 C57 121.0(8) . . ?
C31 C32 C33 120.3(8) . . ?
C17 C18 C19 120.4(8) . . ?
C27 C26 C25 121.6(8) . . ?
C32 C31 C30 119.7(8) . . ?
C15 C16 C17 119.1(9) . . ?

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 C1 C2 -165.0(4) . . . . ?
Dy1 O2 C1 C2 17.2(6) 2_677 . . . ?
Dy1 O2 C1 C6 -162.6(4) 2_677 . . . ?
Dy1 O2 C1 C6 15.2(9) . . . . ?
Dy1 O1 C2 C1 -11.1(6) 2_677 . . . ?
Dy1 O1 C2 C3 169.6(4) 2_677 . . . ?
Dy1 O6 C23 C24 -160.6(4) . . . . ?
Dy1 O6 C23 C22 22.2(10) . . . . ?
Dy1 O11 C60 C61 58.4(11) . . . . ?
Dy1 N1 N2 C8 5.2(6) . . . . ?
Dy1 N1 C7 C6 -9.9(9) . . . . ?
Dy1 O5 C21 C20 -177.6(5) . . . . ?
Dy1 O5 C21 C22 5.4(11) . . . . ?
Dy2 O9 C51 C50 160.4(4) . . . . ?
Dy2 O9 C51 C52 -20.2(10) . . . . ?
Dy2 O1 C2 C1 174.4(4) 2_677 . . . ?
Dy2 O1 C2 C3 -4.9(8) 2_677 . . . ?
Dy2 O10 C53 C54 -168.3(4) . . . . ?
Dy2 O10 C53 C52 11.2(10) . . . . ?
Dy2 O7 C36 C37 -37.2(8) . . . . ?
Dy2 O7 C36 C35 146.4(4) . . . . ?
Dy2 O4 C14 C13 11.3(7) . . . . ?
Dy2 O8 C38 C37 9.2(9) . . . . ?
Dy2 O8 C38 C39 -171.4(4) . . . . ?
Dy2 N3 C9 C8 9.6(6) . . . . ?
Dy2 N3 C9 C10 -166.3(4) . . . . ?
Dy2 N3 C13 C12 166.4(5) . . . . ?
Dy2 N3 C13 C14 -10.6(7) . . . . ?
O9 C51 C50 C49 34.8(8) . . . . ?
O9 C51 C50 C45 -141.3(6) . . . . ?
O9 C51 C52 C53 -3.0(10) . . . . ?
O1 C2 C1 O2 -4.4(8) . . . . ?
O1 C2 C1 C6 175.5(5) . . . . ?
O1 C2 C3 C4 -178.4(5) . . . . ?
O6 C23 C24 C29 -9.1(9) . . . . ?
O6 C23 C24 C25 170.4(7) . . . . ?
O6 C23 C22 C21 -2.1(10) . . . . ?
O10 C53 C52 C51 7.1(10) . . . . ?
O7 C36 C37 C38 -2.0(9) . . . . ?
O7 C36 C35 C34 -152.9(6) . . . . ?
O7 C36 C35 C30 24.1(8) . . . . ?
O11 C60 C61 C62 63.8(9) . . . . ?
N1 N2 C8 C9 176.4(4) . . . . ?
N1 N2 C8 O3 -2.0(8) . . . . ?
N1 C7 C6 C5 175.1(6) . . . . ?
N1 C7 C6 C1 -6.9(10) . . . . ?
O8 C38 C37 C36 14.9(9) . . . . ?
O8 C38 C39 C40 26.8(8) . . . . ?
O8 C38 C39 C44 -152.6(6) . . . . ?
N2 N1 C7 C6 179.4(5) . . . . ?
N2 C8 C9 N3 -179.1(5) . . . . ?
N2 C8 C9 C10 -3.2(9) . . . . ?
N2 C8 O3 Dy1 -2.6(8) . . . . ?
N2 C8 O3 Dy2 168.0(4) . . . . ?
C8 C9 C10 C11 -175.9(5) . . . . ?
N3 C9 C10 C11 -0.3(9) . . . . ?
N3 C13 C12 C11 -0.5(10) . . . . ?
N3 C13 C14 O4 0.5(8) . . . . ?
C9 C8 O3 Dy1 178.9(3) . . . . ?
C9 C8 O3 Dy2 -10.5(7) . . . . ?
C9 N3 C13 C12 1.6(9) . . . . ?
C9 N3 C13 C14 -175.4(5) . . . . ?
C9 C10 C11 C12 1.3(10) . . . . ?
C10 C11 C12 C13 -1.0(10) . . . . ?
C7 N1 N2 C8 177.0(5) . . . . ?
C7 C6 C1 O2 5.9(9) . . . . ?
C7 C6 C1 C2 -173.9(5) . . . . ?
C13 N3 C9 C8 174.8(5) . . . . ?
C13 N3 C9 C10 -1.2(9) . . . . ?
C29 C24 C25 C26 -2.1(13) . . . . ?
C5 C6 C1 O2 -176.1(5) . . . . ?
C5 C6 C1 C2 4.1(8) . . . . ?
C5 C4 C3 C2 1.9(10) . . . . ?
C36 C35 C30 C31 -179.3(6) . . . . ?
C6 C5 C4 C3 -3.1(10) . . . . ?
C19 C20 C21 O5 159.9(7) . . . . ?
C19 C20 C21 C22 -23.0(11) . . . . ?
C19 C20 C15 C16 2.1(12) . . . . ?
C1 C2 C3 C4 2.3(9) . . . . ?
C12 C13 C14 O4 -176.4(6) . . . . ?
C34 C35 C30 C31 -2.3(11) . . . . ?
C34 C33 C32 C31 -3.9(14) . . . . ?
C20 C19 C18 C17 -4.8(15) . . . . ?
C20 C15 C16 C17 -1.0(14) . . . . ?
C4 C5 C6 C7 178.2(6) . . . . ?
C4 C5 C6 C1 0.1(9) . . . . ?
C49 C48 C47 C46 -1.4(12) . . . . ?
C49 C50 C45 C46 -0.8(11) . . . . ?
C23 C24 C25 C26 178.3(8) . . . . ?
C23 C22 C21 O5 -10.3(10) . . . . ?
C23 C22 C21 C20 172.8(6) . . . . ?
C55 C56 C57 C58 1.6(13) . . . . ?
C55 C54 C53 O10 -147.9(6) . . . . ?
C55 C54 C53 C52 32.5(10) . . . . ?
C55 C54 C59 C58 -1.0(12) . . . . ?
C56 C55 C54 C53 -178.8(7) . . . . ?
C56 C55 C54 C59 0.7(11) . . . . ?
C56 C57 C58 C59 -2.0(15) . . . . ?
C38 C39 C40 C41 178.5(6) . . . . ?
C38 C39 C44 C43 180.0(7) . . . . ?
C24 C29 C28 C27 1.3(15) . . . . ?
C24 C23 C22 C21 -179.3(6) . . . . ?
C24 C25 C26 C27 2.5(15) . . . . ?
C51 C50 C45 C46 175.4(7) . . . . ?
C48 C49 C50 C51 -177.0(6) . . . . ?
C48 C49 C50 C45 -0.9(10) . . . . ?
C48 C47 C46 C45 -0.3(13) . . . . ?
C54 C55 C56 C57 -1.0(12) . . . . ?
C54 C53 C52 C51 -173.4(6) . . . . ?
C54 C59 C58 C57 1.7(15) . . . . ?
C53 C54 C59 C58 178.5(8) . . . . ?
C47 C46 C45 C50 1.4(12) . . . . ?
C37 C36 C35 C34 30.5(9) . . . . ?
C37 C36 C35 C30 -152.5(6) . . . . ?
C37 C38 C39 C40 -153.8(6) . . . . ?
C37 C38 C39 C44 26.9(9) . . . . ?
C28 C29 C24 C23 179.9(8) . . . . ?
C28 C29 C24 C25 0.3(13) . . . . ?
C28 C27 C26 C25 -0.9(15) . . . . ?
C50 C49 C48 C47 2.0(11) . . . . ?
C50 C51 C52 C53 176.3(6) . . . . ?
C35 C36 C37 C38 174.4(5) . . . . ?
C35 C34 C33 C32 2.2(13) . . . . ?
C35 C30 C31 C32 0.6(12) . . . . ?
C22 C23 C24 C29 168.2(7) . . . . ?
C22 C23 C24 C25 -12.3(10) . . . . ?
C59 C54 C53 O10 32.6(9) . . . . ?
C59 C54 C53 C52 -146.9(7) . . . . ?
C52 C51 C50 C49 -144.6(6) . . . . ?
C52 C51 C50 C45 39.3(9) . . . . ?
C21 C20 C15 C16 -176.9(8) . . . . ?
C39 C38 C37 C36 -164.5(5) . . . . ?
C39 C40 C41 C42 2.5(11) . . . . ?
C39 C44 C43 C42 0.5(12) . . . . ?
C40 C39 C44 C43 0.7(11) . . . . ?
C3 C2 C1 O2 174.9(5) . . . . ?
C3 C2 C1 C6 -5.2(8) . . . . ?
C14 C13 C12 C11 176.3(6) . . . . ?
C64 C65 C66 C67 179.7(8) . . . . ?
C15 C20 C21 O5 -21.3(10) . . . . ?
C15 C20 C21 C22 155.9(7) . . . . ?
C66 C65 C64 O12 172.9(7) . . . . ?
C41 C42 C43 C44 -0.2(13) . . . . ?
C33 C34 C35 C36 177.9(7) . . . . ?
C33 C34 C35 C30 0.9(11) . . . . ?
C33 C32 C31 C30 2.4(13) . . . . ?
C44 C39 C40 C41 -2.2(10) . . . . ?
O3 C8 C9 N3 -0.6(7) . . . . ?
O3 C8 C9 C10 175.4(5) . . . . ?
C63 C62 C61 C60 177.3(7) . . . . ?
C43 C42 C41 C40 -1.3(12) . . . . ?
C18 C19 C20 C21 179.7(8) . . . . ?
C18 C19 C20 C15 0.8(12) . . . . ?
C18 C17 C16 C15 -2.9(16) . . . . ?
C26 C27 C28 C29 -0.9(15) . . . . ?
C16 C17 C18 C19 5.9(16) . . . . ?

_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_3
_database_code_depnum_ccdc_archive 'CCDC 1955475'
loop_
_audit_author_name
_audit_author_address
'Zhilei Wu'
;Hebei University
China
;
_audit_update_record             
;
2020-05-03 deposited with the CCDC.	2020-05-04 downloaded from the CCDC.
;
_audit_creation_date             2020-04-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C124 H102 Dy4 N6 O22, 2(C3 H8 O)'
_chemical_formula_sum            'C130 H118 Dy4 N6 O24'
_chemical_formula_weight         2798.30
_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                   14.7864(10)
_cell_length_b                   15.1898(10)
_cell_length_c                   16.7985(10)
_cell_angle_alpha                97.430(3)
_cell_angle_beta                 112.097(3)
_cell_angle_gamma                112.311(3)
_cell_volume                     3066.8(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9997
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.41
_cell_measurement_theta_min      2.34
_shelx_estimated_absorpt_T_max   0.723
_shelx_estimated_absorpt_T_min   0.565
_exptl_absorpt_coefficient_mu    2.480
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6076
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0860 before and 0.0662 after correction.
The Ratio of minimum to maximum transmission is 0.8151.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1396
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1049
_diffrn_reflns_av_unetI/netI     0.0719
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            60339
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.020
_diffrn_reflns_theta_min         2.341
_diffrn_ambient_temperature      150.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8384
_reflns_number_total             12000
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         3.829
_refine_diff_density_min         -1.446
_refine_diff_density_rms         0.226
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     707
_refine_ls_number_reflns         12000
_refine_ls_number_restraints     93
_refine_ls_R_factor_all          0.1090
_refine_ls_R_factor_gt           0.0659
_refine_ls_restrained_S_all      1.063
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0649P)²+54.1172P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1529
_refine_ls_wR_factor_ref         0.1773
_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) groups
2. Restrained distances
 O11-H11A
 0.87 with sigma of 0.01
 C61-C62
 1.5 with sigma of 0.02
 H17A_$1-H62B_$2
 2.2 with sigma of 0.02
 H62C_$3-H17A_$4
 2.2 with sigma of 0.02
 H62A_$5-H58_$6
 2.15 with sigma of 0.02
 H17B_$7-H62B_$1
 2.13 with sigma of 0.02
 H60B-H62A
 2.2 with sigma of 0.02
 O4-H4
 0.87 with sigma of 0.01
 C60-H11A
 1.965886 with sigma of 0.02
 Dy1-H11A
 2.949717 with sigma of 0.02
 C14-H4
 1.887108 with sigma of 0.02
 Dy2-H4
 2.961912 with sigma of 0.02
3. Rigid bond restraints
 C62, C61, C60
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
C58 \\sim C59 \\sim C54: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C62 \\sim C61 \\sim C60: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C55) \\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C57) \\sim Ueq, Uanis(C58)
\\sim Ueq, Uanis(C59) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C18) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C62) \\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C60) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C16B) = Uanis(C16A)
Uanis(C20A) = Uanis(C15A) = Uanis(C16A) = Uanis(C17A) = Uanis(C20B) =
Uanis(C15B) = Uanis(C17B)
5. Others
 Sof(H19A)=Sof(H18A)=Sof(C15A)=Sof(H15A)=Sof(C17A)=Sof(H17A)=Sof(C16A)=
 Sof(H16A)=Sof(C20A)=1-FVAR(1)
 Sof(H19)=Sof(H18)=Sof(C17B)=Sof(H17B)=Sof(C16B)=Sof(H16B)=Sof(C15B)=Sof(H15B)=
 Sof(C20B)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C64(H64A,H64B), C63(H63A,H63B), C60(H60A,H60B), C61(H61A,H61B)
6.b Aromatic/amide H refined with riding coordinates:
 C37(H37), C7(H7), C10(H10), C11(H11), C12(H12), C34(H34), C25(H25), C3(H3),
 C4(H4A), C5(H5), C52(H52), C33(H33), C22(H22), C45(H45), C28(H28), C59(H59),
 C58(H58), C57(H57), C56(H56), C55(H55), C30(H30), C48(H48), C40(H40), C27(H27),
  C49(H49), C44(H44), C41(H41), C29(H29), C26(H26), C42(H42), C46(H46),
 C47(H47), C31(H31), C32(H32), C43(H43), C19(H19), C19(H19A), C18(H18),
 C18(H18A), C17B(H17B), C16B(H16B), C15B(H15B), C15A(H15A), C17A(H17A),
 C16A(H16A)
6.c Fitted hexagon refined as free rotating group:
 C1(C2,C3,C4,C5,C6), C54(C59,C58,C57,C56,C55), C19(C18,C17B,C16B,C15B,C20B)
6.d Idealised Me refined as rotating group:
 C65(H65A,H65B,H65C), C62(H62A,H62B,H62C)
6.e Idealised tetrahedral OH refined as rotating group:
 O12(H12A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.37207(4) 0.38201(3) 0.42393(3) 0.01833(13) Uani 1 1 d D . . . .
Dy2 Dy 0.25749(4) 0.18809(3) 0.19456(3) 0.02190(14) Uani 1 1 d D . . . .
O3 O 0.2745(5) 0.2144(5) 0.3411(4) 0.0211(14) Uani 1 1 d . . . . .
O9 O 0.3683(6) 0.2048(6) 0.1241(5) 0.0334(18) Uani 1 1 d . . . . .
O6 O 0.2916(7) 0.4705(7) 0.3496(6) 0.042(2) Uani 1 1 d . . . . .
O5 O 0.2254(7) 0.3677(7) 0.4501(6) 0.045(2) Uani 1 1 d . . . . .
O7 O 0.1964(6) 0.2506(6) 0.0783(5) 0.0309(17) Uani 1 1 d . . . . .
O10 O 0.3766(7) 0.1212(6) 0.2582(5) 0.0375(19) Uani 1 1 d . . . . .
O2 O 0.4840(5) 0.4769(5) 0.5719(4) 0.0217(14) Uani 1 1 d . . . . .
N1 N 0.3409(7) 0.2646(6) 0.5132(5) 0.0214(18) Uani 1 1 d . . . . .
O8 O 0.0902(6) 0.1909(6) 0.1772(5) 0.0313(18) Uani 1 1 d . . . . .
O4 O 0.1404(7) 0.0346(6) 0.0715(5) 0.0355(19) Uani 1 1 d D . . . .
H4 H 0.125(9) 0.0314(19) 0.0154(13) 0.053 Uiso 1 1 d DR . . . .
N2 N 0.2752(7) 0.1611(6) 0.4643(5) 0.0255(19) Uani 1 1 d . . . . .
C8 C 0.2467(8) 0.1438(7) 0.3790(7) 0.021(2) Uani 1 1 d . . . . .
O12 O 0.0840(7) 0.0114(6) -0.0985(5) 0.0376(19) Uani 1 1 d . . . . .
H12A H 0.040170 -0.048111 -0.132417 0.056 Uiso 1 1 calc GR . . . .
N3 N 0.1640(7) 0.0321(6) 0.2305(6) 0.0239(18) Uani 1 1 d . . . . .
C9 C 0.1859(8) 0.0398(7) 0.3180(7) 0.023(2) Uani 1 1 d . . . . .
C37 C 0.0784(9) 0.3073(8) 0.1021(8) 0.032(3) Uani 1 1 d . . . . .
H37 H 0.050393 0.354029 0.092573 0.039 Uiso 1 1 calc R . . . .
C36 C 0.1541(8) 0.3087(8) 0.0696(7) 0.029(2) Uani 1 1 d . . . . .
C7 C 0.3638(8) 0.2846(8) 0.5977(6) 0.024(2) Uani 1 1 d . . . . .
H7 H 0.334290 0.229373 0.617254 0.028 Uiso 1 1 calc R . . . .
C24 C 0.1956(10) 0.5512(9) 0.2739(8) 0.035(3) Uani 1 1 d . . . . .
C13 C 0.1128(9) -0.0588(8) 0.1701(7) 0.030(2) Uani 1 1 d . . . . .
C51 C 0.4229(9) 0.1623(8) 0.1112(8) 0.031(2) Uani 1 1 d . . . . .
C38 C 0.0424(9) 0.2427(8) 0.1466(7) 0.031(3) Uani 1 1 d . . . . .
C10 C 0.1557(10) -0.0437(8) 0.3464(8) 0.037(3) Uani 1 1 d . . . . .
H10 H 0.171759 -0.036443 0.407902 0.045 Uiso 1 1 calc R . . . .
C11 C 0.1015(11) -0.1381(9) 0.2829(9) 0.045(3) Uani 1 1 d . . . . .
H11 H 0.080356 -0.196567 0.300622 0.054 Uiso 1 1 calc R . . . .
C35 C 0.1801(10) 0.3750(9) 0.0149(8) 0.039(3) Uani 1 1 d . . . . .
C23 C 0.2092(9) 0.4851(8) 0.3326(8) 0.031(2) Uani 1 1 d . . . . .
C12 C 0.0783(10) -0.1466(8) 0.1934(8) 0.039(3) Uani 1 1 d . . . . .
H12 H 0.039804 -0.210688 0.148779 0.047 Uiso 1 1 calc R . . . .
C34 C 0.1710(12) 0.4624(11) 0.0245(10) 0.058(4) Uani 1 1 d . . . . .
H34 H 0.143640 0.478950 0.063952 0.070 Uiso 1 1 calc R . . . .
C25 C 0.0967(11) 0.5542(9) 0.2283(8) 0.041(3) Uani 1 1 d . . . . .
H25 H 0.032788 0.511148 0.231555 0.049 Uiso 1 1 calc R . . . .
C53 C 0.4344(10) 0.0887(9) 0.2353(8) 0.037(3) Uani 1 1 d . . . . .
C21 C 0.1511(11) 0.3939(11) 0.4278(10) 0.046(3) Uani 1 1 d . . . . .
C50 C 0.4542(10) 0.1778(10) 0.0374(8) 0.037(3) Uani 1 1 d . . . . .
C1 C 0.4904(5) 0.4719(4) 0.6535(3) 0.020(2) Uani 1 1 d . . . . .
C2 C 0.5568(5) 0.5608(4) 0.7257(4) 0.024(2) Uani 1 1 d G . . . .
C3 C 0.5634(6) 0.5617(4) 0.8106(3) 0.031(3) Uani 1 1 d G . . . .
H3 H 0.608735 0.622429 0.859972 0.038 Uiso 1 1 calc R . . . .
C4 C 0.5036(6) 0.4737(5) 0.8233(3) 0.036(3) Uani 1 1 d G . . . .
H4A H 0.508069 0.474258 0.881297 0.043 Uiso 1 1 calc R . . . .
C5 C 0.4372(6) 0.3848(4) 0.7511(4) 0.033(3) Uani 1 1 d G . . . .
H5 H 0.396310 0.324625 0.759742 0.039 Uiso 1 1 calc R . . . .
C6 C 0.4306(5) 0.3839(4) 0.6662(3) 0.021(2) Uani 1 1 d G . . . .
C52 C 0.4537(10) 0.1032(10) 0.1615(8) 0.040(3) Uani 1 1 d . . . . .
H52 H 0.490313 0.070572 0.144542 0.047 Uiso 1 1 calc R . . . .
C33 C 0.2014(15) 0.5262(13) -0.0229(15) 0.080(5) Uani 1 1 d . . . . .
H33 H 0.197516 0.587502 -0.014919 0.096 Uiso 1 1 calc R . . . .
C22 C 0.1366(10) 0.4484(9) 0.3674(8) 0.037(3) Uani 1 1 d . . . . .
H22 H 0.074592 0.460608 0.349608 0.045 Uiso 1 1 calc R . . . .
C45 C 0.4822(10) 0.2710(10) 0.0230(9) 0.048(3) Uani 1 1 d . . . . .
H45 H 0.481525 0.323380 0.060044 0.058 Uiso 1 1 calc R . . . .
C28 C 0.2793(13) 0.6776(12) 0.2151(11) 0.061(4) Uani 1 1 d . . . . .
H28 H 0.342364 0.720377 0.210587 0.073 Uiso 1 1 calc R . . . .
C54 C 0.4855(8) 0.0377(7) 0.2929(6) 0.053(3) Uani 1 1 d . U . . .
C59 C 0.4277(7) -0.0106(6) 0.3363(7) 0.076(4) Uani 1 1 d G U . . .
H59 H 0.361853 -0.008033 0.328657 0.091 Uiso 1 1 calc R . . . .
C58 C 0.4664(10) -0.0627(7) 0.3910(7) 0.094(5) Uani 1 1 d G U . . .
H58 H 0.426895 -0.095676 0.420741 0.113 Uiso 1 1 calc DR . . . .
C57 C 0.5627(10) -0.0664(9) 0.4023(8) 0.097(6) Uani 1 1 d G U . . .
H57 H 0.589136 -0.102028 0.439651 0.117 Uiso 1 1 calc R . . . .
C56 C 0.6205(7) -0.0182(7) 0.3588(8) 0.082(5) Uani 1 1 d G U . . .
H56 H 0.686336 -0.020737 0.366476 0.098 Uiso 1 1 calc R . . . .
C55 C 0.5818(8) 0.0339(7) 0.3041(7) 0.068(4) Uani 1 1 d G U . . .
H55 H 0.621295 0.066908 0.274392 0.081 Uiso 1 1 calc R . . . .
C39 C -0.0531(10) 0.2313(9) 0.1600(9) 0.039(3) Uani 1 1 d . . . . .
C14 C 0.0958(10) -0.0636(8) 0.0760(7) 0.035(3) Uani 1 1 d D . . . .
H14A H 0.132445 -0.099764 0.058882 0.042 Uiso 1 1 calc R . . . .
H14B H 0.015986 -0.100561 0.033041 0.042 Uiso 1 1 calc R . . . .
C30 C 0.2176(12) 0.3494(13) -0.0444(9) 0.060(4) Uani 1 1 d . . . . .
H30 H 0.223863 0.289185 -0.051009 0.072 Uiso 1 1 calc R . . . .
C48 C 0.4909(19) 0.1244(17) -0.0834(12) 0.097(8) Uani 1 1 d . . . . .
H48 H 0.495225 0.074327 -0.119774 0.116 Uiso 1 1 calc R . . . .
C64 C 0.1308(13) 0.0682(13) -0.2112(10) 0.066(4) Uani 1 1 d . . . . .
H64A H 0.091176 0.108316 -0.212656 0.079 Uiso 1 1 calc R . . . .
H64B H 0.077583 0.002037 -0.258234 0.079 Uiso 1 1 calc R . . . .
C40 C -0.0661(11) 0.2010(11) 0.2309(9) 0.047(3) Uani 1 1 d . . . . .
H40 H -0.010815 0.188285 0.271237 0.056 Uiso 1 1 calc R . . . .
C27 C 0.1825(15) 0.6812(12) 0.1722(11) 0.064(4) Uani 1 1 d . . . . .
H27 H 0.178392 0.726175 0.138264 0.077 Uiso 1 1 calc R . . . .
C63 C 0.1672(11) 0.0531(11) -0.1238(9) 0.055(4) Uani 1 1 d . . . . .
H63A H 0.201772 0.008624 -0.124004 0.066 Uiso 1 1 calc R . . . .
H63B H 0.224794 0.118598 -0.077287 0.066 Uiso 1 1 calc R . . . .
C49 C 0.4606(14) 0.1031(12) -0.0143(9) 0.058(4) Uani 1 1 d . . . . .
H49 H 0.445241 0.040266 -0.003940 0.070 Uiso 1 1 calc R . . . .
C44 C -0.1362(11) 0.2474(11) 0.1025(10) 0.052(4) Uani 1 1 d . . . . .
H44 H -0.130483 0.269010 0.053243 0.062 Uiso 1 1 calc R . . . .
C41 C -0.1527(13) 0.1885(12) 0.2462(11) 0.060(4) Uani 1 1 d . . . . .
H41 H -0.157128 0.168847 0.296563 0.072 Uiso 1 1 calc R . . . .
O1 O 0.6213(6) 0.6456(5) 0.7148(4) 0.0225(15) Uani 1 1 d . . . . .
C29 C 0.2871(12) 0.6119(11) 0.2654(10) 0.051(4) Uani 1 1 d . . . . .
H29 H 0.354385 0.608860 0.293639 0.062 Uiso 1 1 calc R . . . .
C26 C 0.0909(12) 0.6192(11) 0.1784(9) 0.053(4) Uani 1 1 d . . . . .
H26 H 0.023259 0.621183 0.148248 0.063 Uiso 1 1 calc R . . . .
C42 C -0.2347(13) 0.2048(12) 0.1874(12) 0.067(5) Uani 1 1 d . . . . .
H42 H -0.296297 0.196415 0.197186 0.080 Uiso 1 1 calc R . . . .
C46 C 0.5111(13) 0.2868(15) -0.0462(11) 0.071(5) Uani 1 1 d . . . . .
H46 H 0.529340 0.349624 -0.057062 0.085 Uiso 1 1 calc R . . . .
C47 C 0.5129(17) 0.2105(17) -0.0982(12) 0.083(6) Uani 1 1 d . . . . .
H47 H 0.530562 0.220747 -0.146190 0.100 Uiso 1 1 calc R . . . .
C31 C 0.2456(16) 0.4110(15) -0.0936(12) 0.080(5) Uani 1 1 d . . . . .
H31 H 0.270158 0.393222 -0.134947 0.096 Uiso 1 1 calc R . . . .
C32 C 0.2376(16) 0.4991(15) -0.0821(13) 0.090(7) Uani 1 1 d . . . . .
H32 H 0.257511 0.541889 -0.115648 0.108 Uiso 1 1 calc R . . . .
C43 C -0.2279(14) 0.2330(15) 0.1147(14) 0.080(6) Uani 1 1 d . . . . .
H43 H -0.285291 0.242615 0.073130 0.096 Uiso 1 1 calc R . . . .
C19 C -0.0186(10) 0.3682(10) 0.4524(8) 0.061(4) Uani 1 1 d . . . . .
H19 H -0.061768 0.358135 0.390321 0.073 Uiso 0.521(12) 1 calc R . P A 1
H19A H -0.045385 0.395201 0.406176 0.073 Uiso 0.479(12) 1 calc R . P A 2
C18 C -0.0680(9) 0.3511(12) 0.5087(9) 0.094(6) Uani 1 1 d G U . A .
H18 H -0.144931 0.329402 0.485000 0.113 Uiso 0.521(12) 1 calc R . P A 1
H18A H -0.074531 0.398134 0.546386 0.113 Uiso 0.479(12) 1 calc R . P A 2
C17B C -0.0048(11) 0.3659(15) 0.5995(9) 0.089(5) Uani 0.521(12) 1 d G . P A 1
H17B H -0.038523 0.354232 0.637933 0.107 Uiso 0.521(12) 1 calc DR . P A 1
C16B C 0.1078(9) 0.3977(14) 0.6341(9) 0.089(5) Uani 0.521(12) 1 d G . P A .
H16B H 0.151048 0.407793 0.696189 0.107 Uiso 0.521(12) 1 calc R . P A .
C15B C 0.1573(9) 0.4148(16) 0.5779(12) 0.089(5) Uani 0.521(12) 1 d G . P A 1
H15B H 0.234213 0.436526 0.601512 0.107 Uiso 0.521(12) 1 calc R . P A 1
C20B C 0.0940(11) 0.4000(16) 0.4870(11) 0.089(5) Uani 0.521(12) 1 d G . P A 1
C15A C 0.056(3) 0.262(4) 0.487(3) 0.089(5) Uani 0.479(12) 1 d . . P A 2
H15A H 0.104166 0.234530 0.486483 0.107 Uiso 0.479(12) 1 calc R . P A 2
C17A C -0.113(3) 0.230(3) 0.494(2) 0.089(5) Uani 0.479(12) 1 d . . P A 2
H17A H -0.185646 0.180109 0.475926 0.107 Uiso 0.479(12) 1 calc DR . P A 2
C16A C -0.022(3) 0.218(4) 0.515(3) 0.089(5) Uani 0.479(12) 1 d . . P A 2
H16A H -0.011120 0.175997 0.551025 0.107 Uiso 0.479(12) 1 calc R . P A 2
C20A C 0.066(3) 0.348(4) 0.460(3) 0.089(5) Uani 0.479(12) 1 d . . P A 2
C65 C 0.2192(17) 0.1186(19) -0.2345(15) 0.126(10) Uani 1 1 d . . . . .
H65A H 0.261316 0.189906 -0.198541 0.190 Uiso 1 1 calc GR . . . .
H65B H 0.186956 0.111934 -0.299084 0.190 Uiso 1 1 calc GR . . . .
H65C H 0.268314 0.087810 -0.221421 0.190 Uiso 1 1 calc GR . . . .
O11 O 0.5254(7) 0.3413(7) 0.4655(8) 0.062(3) Uani 1 1 d D . . . .
H11A H 0.587(3) 0.397(3) 0.479(11) 0.093 Uiso 1 1 d DR . . . .
C60 C 0.5461(14) 0.2634(12) 0.4764(14) 0.081(4) Uani 1 1 d D U . . .
H60A H 0.486602 0.201940 0.425453 0.097 Uiso 1 1 calc R . . . .
H60B H 0.546598 0.252041 0.533208 0.097 Uiso 1 1 calc DR . . . .
C61 C 0.6580(16) 0.2830(15) 0.4798(14) 0.099(5) Uani 1 1 d D U . . .
H61A H 0.707804 0.356029 0.501420 0.118 Uiso 1 1 calc R . . . .
H61B H 0.647254 0.254337 0.418615 0.118 Uiso 1 1 calc R . . . .
C62 C 0.7104(17) 0.2314(19) 0.5473(17) 0.154(8) Uani 1 1 d D U . . .
H62A H 0.693737 0.238397 0.598264 0.230 Uiso 1 1 calc DGR . . . .
H62B H 0.790535 0.264013 0.570015 0.230 Uiso 1 1 calc DGR . . . .
H62C H 0.679194 0.160071 0.515157 0.230 Uiso 1 1 calc DGR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy1 3.7085(9) 2_666 ?
Dy1 Dy2 3.8415(7) . ?
Dy1 O3 2.298(6) . ?
Dy1 O6 2.305(7) . ?
Dy1 O5 2.308(8) . ?
Dy1 O2 2.272(6) . ?
Dy1 O2 2.348(7) 2_666 ?
Dy1 N1 2.495(8) . ?
Dy1 O1 2.359(6) 2_666 ?
Dy1 O11 2.449(8) . ?
Dy2 O3 2.343(6) . ?
Dy2 O9 2.318(7) . ?
Dy2 O7 2.309(7) . ?
Dy2 O10 2.346(7) . ?
Dy2 O8 2.397(7) . ?
Dy2 O4 2.388(7) . ?
Dy2 N3 2.531(8) . ?
Dy2 O1 2.330(6) 2_666 ?
O3 C8 1.328(11) . ?
O9 C51 1.268(12) . ?
O6 C23 1.256(13) . ?
O5 C21 1.252(14) . ?
O7 C36 1.254(13) . ?
O10 C53 1.281(13) . ?
O2 C1 1.353(7) . ?
N1 N2 1.413(11) . ?
N1 C7 1.294(12) . ?
O8 C38 1.280(13) . ?
O4 C14 1.410(13) . ?
N2 C8 1.290(13) . ?
C8 C9 1.471(13) . ?
O12 C63 1.403(15) . ?
N3 C9 1.358(13) . ?
N3 C13 1.332(13) . ?
C9 C10 1.387(14) . ?
C37 C36 1.414(16) . ?
C37 C38 1.378(16) . ?
C36 C35 1.489(15) . ?
C7 C6 1.463(11) . ?
C24 C23 1.511(15) . ?
C24 C25 1.393(16) . ?
C24 C29 1.391(17) . ?
C13 C12 1.400(16) . ?
C13 C14 1.492(15) . ?
C51 C50 1.494(16) . ?
C51 C52 1.396(16) . ?
C38 C39 1.462(16) . ?
C10 C11 1.387(16) . ?
C11 C12 1.387(17) . ?
C35 C34 1.381(19) . ?
C35 C30 1.39(2) . ?
C23 C22 1.381(16) . ?
C34 C33 1.38(2) . ?
C25 C26 1.382(17) . ?
C53 C52 1.398(17) . ?
C53 C54 1.481(13) . ?
C21 C22 1.396(16) . ?
C21 C20B 1.541(17) . ?
C21 C20A 1.52(3) . ?
C50 C45 1.398(18) . ?
C50 C49 1.391(17) . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 C3 1.3900 . ?
C2 O1 1.365(8) . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
C33 C32 1.38(3) . ?
C45 C46 1.401(19) . ?
C28 C27 1.37(2) . ?
C28 C29 1.399(18) . ?
C54 C59 1.3900 . ?
C54 C55 1.3900 . ?
C59 C58 1.3900 . ?
C58 C57 1.3900 . ?
C57 C56 1.3900 . ?
C56 C55 1.3900 . ?
C39 C40 1.384(18) . ?
C39 C44 1.379(17) . ?
C30 C31 1.38(2) . ?
C48 C49 1.42(2) . ?
C48 C47 1.30(3) . ?
C64 C63 1.44(2) . ?
C64 C65 1.47(2) . ?
C40 C41 1.347(19) . ?
C27 C26 1.38(2) . ?
C44 C43 1.39(2) . ?
C41 C42 1.38(2) . ?
C42 C43 1.37(2) . ?
C46 C47 1.37(2) . ?
C31 C32 1.38(3) . ?
C19 C18 1.3900 . ?
C19 C20B 1.3900 . ?
C19 C20A 1.35(4) . ?
C18 C17B 1.3900 . ?
C18 C17A 1.65(4) . ?
C17B C16B 1.3900 . ?
C16B C15B 1.3900 . ?
C15B C20B 1.3900 . ?
C15A C16A 1.38(4) . ?
C15A C20A 1.42(6) . ?
C17A C16A 1.34(4) . ?
O11 C60 1.348(16) . ?
C60 C61 1.54(2) . ?
C61 C62 1.589(17) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Dy1 Dy1 Dy2 136.93(2) 2_666 . ?
O3 Dy1 Dy1 154.08(17) . 2_666 ?
O3 Dy1 Dy2 34.51(16) . . ?
O3 Dy1 O6 110.5(3) . . ?
O3 Dy1 O5 89.3(3) . . ?
O3 Dy1 O2 135.3(2) . 2_666 ?
O3 Dy1 N1 64.8(2) . . ?
O3 Dy1 O1 68.6(2) . 2_666 ?
O3 Dy1 O11 81.1(3) . . ?
O6 Dy1 Dy1 90.9(2) . 2_666 ?
O6 Dy1 Dy2 89.5(2) . . ?
O6 Dy1 O5 70.0(3) . . ?
O6 Dy1 O2 73.8(3) . 2_666 ?
O6 Dy1 N1 139.7(3) . . ?
O6 Dy1 O1 75.9(3) . 2_666 ?
O6 Dy1 O11 146.1(3) . . ?
O5 Dy1 Dy1 112.4(2) . 2_666 ?
O5 Dy1 Dy2 108.1(2) . . ?
O5 Dy1 O2 130.6(3) . 2_666 ?
O5 Dy1 N1 69.9(3) . . ?
O5 Dy1 O1 129.2(3) . 2_666 ?
O5 Dy1 O11 143.6(3) . . ?
O2 Dy1 Dy1 35.91(15) 2_666 2_666 ?
O2 Dy1 Dy1 37.31(16) . 2_666 ?
O2 Dy1 Dy2 104.16(15) 2_666 . ?
O2 Dy1 Dy2 160.00(17) . . ?
O2 Dy1 O3 137.2(2) . . ?
O2 Dy1 O6 108.2(3) . . ?
O2 Dy1 O5 87.2(3) . . ?
O2 Dy1 O2 73.2(3) . 2_666 ?
O2 Dy1 N1 74.1(2) . . ?
O2 Dy1 N1 139.7(2) 2_666 . ?
O2 Dy1 O1 69.7(2) 2_666 2_666 ?
O2 Dy1 O1 139.8(2) . 2_666 ?
O2 Dy1 O11 75.9(3) 2_666 . ?
O2 Dy1 O11 76.9(3) . . ?
N1 Dy1 Dy1 108.34(18) . 2_666 ?
N1 Dy1 Dy2 98.60(18) . . ?
O1 Dy1 Dy1 104.40(16) 2_666 2_666 ?
O1 Dy1 Dy2 34.74(16) 2_666 . ?
O1 Dy1 N1 129.1(2) 2_666 . ?
O1 Dy1 O11 79.5(3) 2_666 . ?
O11 Dy1 Dy1 73.0(2) . 2_666 ?
O11 Dy1 Dy2 83.2(3) . . ?
O11 Dy1 N1 74.3(3) . . ?
O3 Dy2 Dy1 33.77(15) . . ?
O3 Dy2 O10 79.2(3) . . ?
O3 Dy2 O8 75.9(2) . . ?
O3 Dy2 O4 126.5(2) . . ?
O3 Dy2 N3 64.3(2) . . ?
O9 Dy2 Dy1 119.1(2) . . ?
O9 Dy2 O3 139.0(3) . . ?
O9 Dy2 O10 71.1(3) . . ?
O9 Dy2 O8 142.2(3) . . ?
O9 Dy2 O4 81.2(3) . . ?
O9 Dy2 N3 124.8(3) . . ?
O9 Dy2 O1 87.6(3) . 2_666 ?
O7 Dy2 Dy1 109.99(19) . . ?
O7 Dy2 O3 134.4(2) . . ?
O7 Dy2 O9 72.8(3) . . ?
O7 Dy2 O10 143.6(3) . . ?
O7 Dy2 O8 70.1(3) . . ?
O7 Dy2 O4 80.6(3) . . ?
O7 Dy2 N3 132.9(3) . . ?
O7 Dy2 O1 86.7(2) . 2_666 ?
O10 Dy2 Dy1 92.2(2) . . ?
O10 Dy2 O8 144.0(3) . . ?
O10 Dy2 O4 88.8(3) . . ?
O10 Dy2 N3 67.9(3) . . ?
O8 Dy2 Dy1 81.18(18) . . ?
O8 Dy2 N3 78.0(3) . . ?
O4 Dy2 Dy1 158.83(19) . . ?
O4 Dy2 O8 85.6(3) . . ?
O4 Dy2 N3 62.9(3) . . ?
N3 Dy2 Dy1 98.01(19) . . ?
O1 Dy2 Dy1 35.25(16) 2_666 . ?
O1 Dy2 O3 68.4(2) 2_666 . ?
O1 Dy2 O10 96.9(3) 2_666 . ?
O1 Dy2 O8 97.5(3) 2_666 . ?
O1 Dy2 O4 165.0(2) 2_666 . ?
O1 Dy2 N3 132.1(2) 2_666 . ?
Dy1 O3 Dy2 111.7(3) . . ?
C8 O3 Dy1 121.7(6) . . ?
C8 O3 Dy2 126.0(6) . . ?
C51 O9 Dy2 136.7(7) . . ?
C23 O6 Dy1 139.9(8) . . ?
C21 O5 Dy1 140.0(8) . . ?
C36 O7 Dy2 132.3(7) . . ?
C53 O10 Dy2 136.7(8) . . ?
Dy1 O2 Dy1 106.8(3) . 2_666 ?
C1 O2 Dy1 137.8(5) . . ?
C1 O2 Dy1 115.4(4) . 2_666 ?
N2 N1 Dy1 117.2(6) . . ?
C7 N1 Dy1 129.1(7) . . ?
C7 N1 N2 113.0(8) . . ?
C38 O8 Dy2 134.8(7) . . ?
C14 O4 Dy2 127.7(6) . . ?
C8 N2 N1 111.8(8) . . ?
O3 C8 C9 115.6(8) . . ?
N2 C8 O3 124.4(9) . . ?
N2 C8 C9 119.9(9) . . ?
C9 N3 Dy2 118.6(6) . . ?
C13 N3 Dy2 121.1(7) . . ?
C13 N3 C9 118.9(9) . . ?
N3 C9 C8 114.0(8) . . ?
N3 C9 C10 122.3(9) . . ?
C10 C9 C8 123.8(9) . . ?
C38 C37 C36 124.4(10) . . ?
O7 C36 C37 123.3(10) . . ?
O7 C36 C35 116.1(11) . . ?
C37 C36 C35 120.3(10) . . ?
N1 C7 C6 126.4(9) . . ?
C25 C24 C23 123.4(11) . . ?
C29 C24 C23 117.7(10) . . ?
C29 C24 C25 118.9(11) . . ?
N3 C13 C12 122.1(10) . . ?
N3 C13 C14 117.1(9) . . ?
C12 C13 C14 120.8(10) . . ?
O9 C51 C50 116.7(10) . . ?
O9 C51 C52 123.6(11) . . ?
C52 C51 C50 119.8(10) . . ?
O8 C38 C37 121.8(11) . . ?
O8 C38 C39 117.8(10) . . ?
C37 C38 C39 120.3(11) . . ?
C9 C10 C11 118.5(10) . . ?
C12 C11 C10 119.6(11) . . ?
C34 C35 C36 121.1(12) . . ?
C34 C35 C30 119.9(12) . . ?
C30 C35 C36 118.9(12) . . ?
O6 C23 C24 115.7(10) . . ?
O6 C23 C22 123.8(10) . . ?
C22 C23 C24 120.4(10) . . ?
C11 C12 C13 118.6(10) . . ?
C35 C34 C33 120.5(16) . . ?
C26 C25 C24 120.6(13) . . ?
O10 C53 C52 122.6(11) . . ?
O10 C53 C54 117.3(10) . . ?
C52 C53 C54 120.0(10) . . ?
O5 C21 C22 123.4(11) . . ?
O5 C21 C20B 121.4(11) . . ?
O5 C21 C20A 114.9(18) . . ?
C22 C21 C20B 112.3(11) . . ?
C22 C21 C20A 121.0(18) . . ?
C45 C50 C51 118.8(11) . . ?
C49 C50 C51 121.5(12) . . ?
C49 C50 C45 119.7(12) . . ?
O2 C1 C2 117.1(5) . . ?
O2 C1 C6 122.8(5) . . ?
C2 C1 C6 120.0 . . ?
C3 C2 C1 120.0 . . ?
O1 C2 C1 119.9(5) . . ?
O1 C2 C3 119.9(5) . . ?
C2 C3 C4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C4 C5 C6 120.0 . . ?
C1 C6 C7 125.4(5) . . ?
C5 C6 C7 114.5(5) . . ?
C5 C6 C1 120.0 . . ?
C51 C52 C53 124.4(11) . . ?
C32 C33 C34 118.7(17) . . ?
C23 C22 C21 122.4(11) . . ?
C50 C45 C46 119.7(14) . . ?
C27 C28 C29 121.0(14) . . ?
C59 C54 C53 114.6(8) . . ?
C59 C54 C55 120.0 . . ?
C55 C54 C53 125.4(8) . . ?
C54 C59 C58 120.0 . . ?
C57 C58 C59 120.0 . . ?
C58 C57 C56 120.0 . . ?
C55 C56 C57 120.0 . . ?
C56 C55 C54 120.0 . . ?
C40 C39 C38 121.3(11) . . ?
C44 C39 C38 122.6(12) . . ?
C44 C39 C40 116.0(12) . . ?
O4 C14 C13 109.3(8) . . ?
C31 C30 C35 120.1(17) . . ?
C47 C48 C49 122.0(15) . . ?
C63 C64 C65 114.8(15) . . ?
C41 C40 C39 123.9(13) . . ?
C28 C27 C26 119.7(13) . . ?
O12 C63 C64 115.0(12) . . ?
C50 C49 C48 117.6(15) . . ?
C39 C44 C43 121.9(14) . . ?
C40 C41 C42 118.8(15) . . ?
Dy2 O1 Dy1 110.0(3) 2_666 2_666 ?
C2 O1 Dy1 114.0(4) . 2_666 ?
C2 O1 Dy2 135.7(5) . 2_666 ?
C24 C29 C28 119.4(12) . . ?
C27 C26 C25 120.4(13) . . ?
C43 C42 C41 120.3(14) . . ?
C47 C46 C45 119.2(17) . . ?
C48 C47 C46 121.7(16) . . ?
C30 C31 C32 119.2(18) . . ?
C33 C32 C31 121.6(17) . . ?
C42 C43 C44 119.2(15) . . ?
C18 C19 C20B 120.0 . . ?
C20A C19 C18 123.6(19) . . ?
C19 C18 C17A 103.7(14) . . ?
C17B C18 C19 120.0 . . ?
C16B C17B C18 120.0 . . ?
C17B C16B C15B 120.0 . . ?
C20B C15B C16B 120.0 . . ?
C19 C20B C21 123.8(11) . . ?
C15B C20B C21 114.1(10) . . ?
C15B C20B C19 120.0 . . ?
C16A C15A C20A 120(4) . . ?
C16A C17A C18 104(3) . . ?
C17A C16A C15A 125(4) . . ?
C19 C20A C21 128(3) . . ?
C19 C20A C15A 112(3) . . ?
C15A C20A C21 119(3) . . ?
C60 O11 Dy1 140.1(9) . . ?
O11 C60 C61 111.3(14) . . ?
C60 C61 C62 108.0(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 O3 C8 N2 -3.3(13) . . . . ?
Dy1 O3 C8 C9 -179.1(6) . . . . ?
Dy1 O6 C23 C24 -177.3(8) . . . . ?
Dy1 O6 C23 C22 6(2) . . . . ?
Dy1 O5 C21 C22 1(3) . . . . ?
Dy1 O5 C21 C20B -157.8(12) . . . . ?
Dy1 O5 C21 C20A 172(2) . . . . ?
Dy1 O2 C1 C2 -162.6(5) . . . . ?
Dy1 O2 C1 C2 19.8(6) 2_666 . . . ?
Dy1 O2 C1 C6 -162.9(4) 2_666 . . . ?
Dy1 O2 C1 C6 14.7(10) . . . . ?
Dy1 N1 N2 C8 4.0(10) . . . . ?
Dy1 N1 C7 C6 -10.6(15) . . . . ?
Dy1 O11 C60 C61 164.9(12) . . . . ?
Dy2 O3 C8 N2 166.7(7) . . . . ?
Dy2 O3 C8 C9 -9.1(12) . . . . ?
Dy2 O9 C51 C50 161.6(8) . . . . ?
Dy2 O9 C51 C52 -18.2(17) . . . . ?
Dy2 O7 C36 C37 -37.8(15) . . . . ?
Dy2 O7 C36 C35 147.6(8) . . . . ?
Dy2 O10 C53 C52 11.8(19) . . . . ?
Dy2 O10 C53 C54 -170.7(7) . . . . ?
Dy2 O8 C38 C37 9.1(16) . . . . ?
Dy2 O8 C38 C39 -171.0(7) . . . . ?
Dy2 O4 C14 C13 11.8(13) . . . . ?
Dy2 N3 C9 C8 10.9(11) . . . . ?
Dy2 N3 C9 C10 -167.4(9) . . . . ?
Dy2 N3 C13 C12 168.0(9) . . . . ?
Dy2 N3 C13 C14 -10.6(13) . . . . ?
O3 C8 C9 N3 -2.2(13) . . . . ?
O3 C8 C9 C10 176.2(10) . . . . ?
O9 C51 C50 C45 36.3(16) . . . . ?
O9 C51 C50 C49 -146.4(12) . . . . ?
O9 C51 C52 C53 -4.1(19) . . . . ?
O6 C23 C22 C21 2(2) . . . . ?
O5 C21 C22 C23 -5(2) . . . . ?
O5 C21 C20B C19 -139.1(13) . . . . ?
O5 C21 C20B C15B 24.7(18) . . . . ?
O5 C21 C20A C19 175(4) . . . . ?
O5 C21 C20A C15A -18(5) . . . . ?
O7 C36 C35 C34 -158.2(12) . . . . ?
O7 C36 C35 C30 19.6(15) . . . . ?
O10 C53 C52 C51 7(2) . . . . ?
O10 C53 C54 C59 28.9(13) . . . . ?
O10 C53 C54 C55 -152.3(8) . . . . ?
O2 C1 C2 C3 177.3(7) . . . . ?
O2 C1 C2 O1 -7.2(7) . . . . ?
O2 C1 C6 C7 7.1(9) . . . . ?
O2 C1 C6 C5 -177.2(7) . . . . ?
N1 N2 C8 O3 -0.8(14) . . . . ?
N1 N2 C8 C9 174.8(8) . . . . ?
N1 C7 C6 C1 -7.4(13) . . . . ?
N1 C7 C6 C5 176.7(8) . . . . ?
O8 C38 C39 C40 25.7(17) . . . . ?
O8 C38 C39 C44 -152.7(12) . . . . ?
N2 N1 C7 C6 179.4(8) . . . . ?
N2 C8 C9 N3 -178.1(9) . . . . ?
N2 C8 C9 C10 0.2(16) . . . . ?
C8 C9 C10 C11 -178.0(11) . . . . ?
N3 C9 C10 C11 0.2(18) . . . . ?
N3 C13 C12 C11 -2.1(18) . . . . ?
N3 C13 C14 O4 0.2(14) . . . . ?
C9 N3 C13 C12 1.8(16) . . . . ?
C9 N3 C13 C14 -176.8(9) . . . . ?
C9 C10 C11 C12 0(2) . . . . ?
C37 C36 C35 C34 27.0(17) . . . . ?
C37 C36 C35 C30 -155.2(12) . . . . ?
C37 C38 C39 C40 -154.4(12) . . . . ?
C37 C38 C39 C44 27.2(18) . . . . ?
C36 C37 C38 O8 13.4(17) . . . . ?
C36 C37 C38 C39 -166.5(10) . . . . ?
C36 C35 C34 C33 176.3(13) . . . . ?
C36 C35 C30 C31 -177.9(13) . . . . ?
C7 N1 N2 C8 175.2(9) . . . . ?
C24 C23 C22 C21 -174.7(12) . . . . ?
C24 C25 C26 C27 1(2) . . . . ?
C13 N3 C9 C8 177.5(9) . . . . ?
C13 N3 C9 C10 -0.9(16) . . . . ?
C51 C50 C45 C46 -179.6(12) . . . . ?
C51 C50 C49 C48 179.9(14) . . . . ?
C38 C37 C36 O7 0.0(17) . . . . ?
C38 C37 C36 C35 174.4(10) . . . . ?
C38 C39 C40 C41 -179.5(13) . . . . ?
C38 C39 C44 C43 177.8(15) . . . . ?
C10 C11 C12 C13 1(2) . . . . ?
C35 C34 C33 C32 2(3) . . . . ?
C35 C30 C31 C32 1(3) . . . . ?
C23 C24 C25 C26 177.5(12) . . . . ?
C23 C24 C29 C28 -177.1(13) . . . . ?
C12 C13 C14 O4 -178.4(10) . . . . ?
C34 C35 C30 C31 0(2) . . . . ?
C34 C33 C32 C31 -1(3) . . . . ?
C25 C24 C23 O6 162.1(12) . . . . ?
C25 C24 C23 C22 -20.7(18) . . . . ?
C25 C24 C29 C28 3(2) . . . . ?
C53 C54 C59 C58 178.9(10) . . . . ?
C53 C54 C55 C56 -178.8(11) . . . . ?
C50 C51 C52 C53 176.1(12) . . . . ?
C50 C45 C46 C47 -1(2) . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C1 C2 O1 Dy1 -9.0(7) . . . 2_666 ?
C1 C2 O1 Dy2 178.3(5) . . . 2_666 ?
C2 C1 C6 C7 -175.7(8) . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C2 O1 Dy1 166.4(3) . . . 2_666 ?
C3 C2 O1 Dy2 -6.2(10) . . . 2_666 ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C7 176.2(7) . . . . ?
C4 C5 C6 C1 0.0 . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
C6 C1 C2 O1 175.5(7) . . . . ?
C52 C51 C50 C45 -143.9(12) . . . . ?
C52 C51 C50 C49 33.4(18) . . . . ?
C52 C53 C54 C59 -153.5(10) . . . . ?
C52 C53 C54 C55 25.3(15) . . . . ?
C22 C21 C20B C19 59.5(18) . . . . ?
C22 C21 C20B C15B -136.7(11) . . . . ?
C22 C21 C20A C19 -14(6) . . . . ?
C22 C21 C20A C15A 153(3) . . . . ?
C45 C50 C49 C48 -3(2) . . . . ?
C45 C46 C47 C48 -2(3) . . . . ?
C28 C27 C26 C25 1(2) . . . . ?
C54 C53 C52 C51 -170.5(11) . . . . ?
C54 C59 C58 C57 0.0 . . . . ?
C59 C54 C55 C56 0.0 . . . . ?
C59 C58 C57 C56 0.0 . . . . ?
C58 C57 C56 C55 0.0 . . . . ?
C57 C56 C55 C54 0.0 . . . . ?
C55 C54 C59 C58 0.0 . . . . ?
C39 C40 C41 C42 1(2) . . . . ?
C39 C44 C43 C42 2(3) . . . . ?
C14 C13 C12 C11 176.4(12) . . . . ?
C30 C35 C34 C33 -2(2) . . . . ?
C30 C31 C32 C33 0(3) . . . . ?
C40 C39 C44 C43 -1(2) . . . . ?
C40 C41 C42 C43 0(3) . . . . ?
C27 C28 C29 C24 -2(2) . . . . ?
C49 C50 C45 C46 3(2) . . . . ?
C49 C48 C47 C46 2(3) . . . . ?
C44 C39 C40 C41 -1(2) . . . . ?
C41 C42 C43 C44 -2(3) . . . . ?
O1 C2 C3 C4 -175.5(7) . . . . ?
C29 C24 C23 O6 -17.9(17) . . . . ?
C29 C24 C23 C22 159.3(12) . . . . ?
C29 C24 C25 C26 -2.5(19) . . . . ?
C29 C28 C27 C26 0(3) . . . . ?
C47 C48 C49 C50 0(3) . . . . ?
C19 C18 C17B C16B 0.0 . . . . ?
C19 C18 C17A C16A 56(3) . . . . ?
C18 C19 C20B C21 162.9(18) . . . . ?
C18 C19 C20B C15B 0.0 . . . . ?
C18 C19 C20A C21 -157(3) . . . . ?
C18 C19 C20A C15A 35(5) . . . . ?
C18 C17B C16B C15B 0.0 . . . . ?
C18 C17A C16A C15A -43(5) . . . . ?
C17B C16B C15B C20B 0.0 . . . . ?
C16B C15B C20B C21 -164.5(17) . . . . ?
C16B C15B C20B C19 0.0 . . . . ?
C20B C21 C22 C23 155.5(13) . . . . ?
C20B C19 C18 C17B 0.0 . . . . ?
C16A C15A C20A C21 -179(4) . . . . ?
C16A C15A C20A C19 -9(6) . . . . ?
C20A C21 C22 C23 -176(3) . . . . ?
C20A C19 C18 C17A -58(3) . . . . ?
C20A C15A C16A C17A 21(7) . . . . ?
C65 C64 C63 O12 175.6(17) . . . . ?
O11 C60 C61 C62 146.1(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
