# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2022

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

data_20220709-wxj-lwq-dy5_auto
_database_code_depnum_ccdc_archive 'CCDC 2202411'
loop_
_audit_author_name
_audit_author_address
'Wen-qiang Li Wen-qiang Li'
;Guangxi normal university
China
;
_audit_update_record             
;
2022-11-15 deposited with the CCDC.	2022-12-19 downloaded from the CCDC.
;
_audit_creation_date             2022-08-29
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C46 H56 Dy5 N3 O24'
_chemical_formula_sum            'C46 H56 Dy5 N3 O24'
_chemical_formula_weight         1850.46
_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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.98250(10)
_cell_length_b                   22.9575(2)
_cell_length_c                   23.0079(2)
_cell_angle_alpha                90
_cell_angle_beta                 98.1370(10)
_cell_angle_gamma                90
_cell_volume                     5742.60(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10115
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      66.601
_cell_measurement_theta_min      2.733
_shelx_estimated_absorpt_T_max   0.062
_shelx_estimated_absorpt_T_min   0.051
_exptl_absorpt_coefficient_mu    34.862
_exptl_absorpt_correction_T_max  0.002
_exptl_absorpt_correction_T_min  0.002
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.140
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3512
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0531
_diffrn_reflns_av_unetI/netI     0.0386
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            44427
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        66.601
_diffrn_reflns_theta_max         66.601
_diffrn_reflns_theta_min         2.733
_diffrn_ambient_temperature      100.15
_diffrn_detector                 'Image Plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            'Rigaku IP'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9269
_reflns_number_total             10115
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         1.672
_refine_diff_density_min         -1.900
_refine_diff_density_rms         0.205
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     691
_refine_ls_number_reflns         10115
_refine_ls_number_restraints     269
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0486
_refine_ls_restrained_S_all      1.134
_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)+(0.0550P)²+64.5754P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1218
_refine_ls_wR_factor_ref         0.1244
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 H1-H2
 2.1 with sigma of 0.01
3. Rigid bond restraints
 C7, C6, C29, C24, C23, C36, C40, C9, C46, C32, C5, C15, C33, C38, C34, C47,
 C44, C28, C22, C42, C4, C39, C13, C14, C11, C8, C10, C45, C3, C1, C37, C25,
 C41, C27, C26, C30, C31, C43, C18, C17, C16, C21, C20, C19, C12, C35
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
4. Uiso/Uaniso restraints and constraints
C7 \\sim C6 \\sim C29 \\sim C24 \\sim C23 \\sim C36 \\sim C40 \\sim C9 \\sim
C46 \\sim C32 \\sim C5 \\sim C15 \\sim C33 \\sim C38 \\sim C34 \\sim C47 \\sim
C44 \\sim C28 \\sim C22 \\sim C42 \\sim C4 \\sim C39 \\sim C13 \\sim C14 \\sim
C11 \\sim C8 \\sim C10 \\sim C45 \\sim C3 \\sim C1 \\sim C37 \\sim C25 \\sim
C41 \\sim C27 \\sim C26 \\sim C30 \\sim C31 \\sim C43 \\sim C18 \\sim C17 \\sim
C16 \\sim C21 \\sim C20 \\sim C19 \\sim C12 \\sim C35: within 2A with sigma of
0.005 and sigma for terminal atoms of 0.01 within 2A
5.a Ternary CH refined with riding coordinates:
 N1(H1), N3(H3), C9(H9), C15(H15), O8(H8a)
5.b Secondary CH2 refined with riding coordinates:
 C23(H23a,H23b), C46(H46a,H46b)
5.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C4(H4), N2(H2), C13(H13), C14(H14), C11(H11), C8(H8), C3(H3a),
 C25(H25), C27(H27), C26(H26), C18(H18), C17(H17), C19(H19)
5.d Fitted hexagon refined as free rotating group:
 N2(C13,C14,C11,C8,C10), C18(C17,C16,C21,C20,C19)
5.e Idealised Me refined as rotating group:
 C33(H33a,H33b,H33c), C22(H22a,H22b,H22c), C39(H39a,H39b,H39c), C45(H45a,H45b,
 H45c), C1(H1a,H1b,H1c), C37(H37a,H37b,H37c), C41(H41a,H41b,H41c), C30(H30a,
 H30b,H30c), C31(H31a,H31b,H31c), C43(H43a,H43b,H43c), C12(H12a,H12b,H12c),
 C35(H35a,H35b,H35c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Dy4 Dy 0.15395(4) 0.30675(2) 0.59537(2) 0.01398(11) Uani 1 1 d . . . . .
Dy5 Dy 0.22194(4) 0.26391(2) 0.44182(2) 0.01659(12) Uani 1 1 d . . . . .
Dy3 Dy 0.36557(4) 0.19102(2) 0.58196(2) 0.01595(12) Uani 1 1 d . . . . .
Dy1 Dy 0.42976(4) 0.29438(2) 0.70332(2) 0.01696(12) Uani 1 1 d . . . . .
O4 O 0.2274(5) 0.3170(2) 0.6983(2) 0.0173(11) Uani 1 1 d . . . . .
O18 O -0.0168(5) 0.3147(3) 0.5268(2) 0.0204(12) Uani 1 1 d . . . . .
O22 O 0.3427(6) 0.1217(2) 0.5075(2) 0.0237(12) Uani 1 1 d . . . . .
O2 O 0.5199(6) 0.3668(3) 0.6573(2) 0.0259(13) Uani 1 1 d . . . . .
O7 O 0.3537(5) 0.2858(2) 0.6086(2) 0.0158(11) Uani 1 1 d . . . . .
O10 O 0.4104(5) 0.2500(2) 0.5001(2) 0.0185(11) Uani 1 1 d . . . . .
O6 O 0.3927(5) 0.1981(2) 0.6839(2) 0.0209(12) Uani 1 1 d . . . . .
O16 O 0.3580(6) 0.4330(3) 0.5733(3) 0.0290(14) Uani 1 1 d . . . . .
O11 O 0.6333(5) 0.2906(3) 0.5759(3) 0.0267(13) Uani 1 1 d . . . . .
O14 O 0.0975(5) 0.2202(2) 0.6405(2) 0.0233(12) Uani 1 1 d . . . . .
O23 O 0.6206(5) 0.2707(3) 0.7496(2) 0.0286(14) Uani 1 1 d . . . . .
O19 O 0.3511(6) 0.3238(3) 0.3969(2) 0.0322(15) Uani 1 1 d . . . . .
O24 O 0.6528(5) 0.2432(3) 0.8420(2) 0.0225(12) Uani 1 1 d . . . . .
O3 O -0.0017(5) 0.3417(3) 0.6568(2) 0.0231(13) Uani 1 1 d . . . . .
O17 O 0.0067(5) 0.2812(3) 0.4379(2) 0.0275(14) Uani 1 1 d . . . . .
O12 O 0.5785(5) 0.2015(3) 0.5992(3) 0.0312(15) Uani 1 1 d . . . . .
O21 O 0.2452(6) 0.1637(3) 0.4262(2) 0.0268(13) Uani 1 1 d . . . . .
O9 O 0.2391(5) 0.3400(2) 0.5064(2) 0.0168(11) Uani 1 1 d . . . . .
O13 O 0.1993(6) 0.1411(3) 0.6167(3) 0.0265(13) Uani 1 1 d . . . . .
O1 O 0.6128(6) 0.4244(3) 0.5746(3) 0.0296(14) Uani 1 1 d . . . . .
O15 O 0.1860(6) 0.4065(3) 0.6068(3) 0.0273(13) Uani 1 1 d . . . . .
O20 O 0.4884(6) 0.3697(3) 0.4619(3) 0.0314(15) Uani 1 1 d . . . . .
O5 O 0.4627(6) 0.1011(3) 0.6379(3) 0.0311(15) Uani 1 1 d . . . . .
N1 N 0.4436(7) 0.3731(3) 0.7730(3) 0.0290(17) Uani 1 1 d . . . . .
H1 H 0.381044 0.402459 0.756184 0.035 Uiso 1 1 calc DR U . . .
N3 N 0.3767(6) 0.2580(3) 0.7988(3) 0.0209(14) Uani 1 1 d . . . . .
H3 H 0.456173 0.249401 0.824293 0.025 Uiso 1 1 calc R U . . .
C7 C 0.5779(8) 0.4167(4) 0.6723(4) 0.0271(14) Uani 1 1 d . U . . .
C6 C 0.5957(9) 0.4378(4) 0.7312(4) 0.0318(14) Uani 1 1 d . U . . .
C29 C 0.4086(9) 0.1520(4) 0.7194(4) 0.0265(14) Uani 1 1 d . U . . .
C24 C 0.3781(9) 0.1529(4) 0.7757(4) 0.0274(13) Uani 1 1 d . U . . .
C23 C 0.3054(9) 0.2036(4) 0.7941(4) 0.0255(15) Uani 1 1 d . U . . .
H23A H 0.230592 0.208865 0.765039 0.031 Uiso 1 1 calc R U . . .
H23B H 0.278904 0.194741 0.832485 0.031 Uiso 1 1 calc R U . . .
C36 C 0.2653(14) 0.4426(5) 0.5965(6) 0.061(3) Uani 1 1 d . U . . .
C40 C 0.4484(8) 0.3524(5) 0.4107(4) 0.030(2) Uani 1 1 d . U . . .
C9 C 0.4109(12) 0.3575(4) 0.8325(4) 0.0420(17) Uani 1 1 d . U . . .
H9 H 0.488084 0.341943 0.855561 0.050 Uiso 1 1 calc R U . . .
C46 C 0.5636(9) 0.4047(4) 0.7823(4) 0.0335(17) Uani 1 1 d . U . . .
H46A H 0.562600 0.432062 0.815466 0.040 Uiso 1 1 calc R U . . .
H46B H 0.629594 0.375896 0.794173 0.040 Uiso 1 1 calc R U . . .
C32 C 0.6575(8) 0.2393(5) 0.5907(4) 0.031(2) Uani 1 1 d . U . . .
C5 C 0.6566(9) 0.4915(4) 0.7427(5) 0.0369(15) Uani 1 1 d . U . . .
H5 H 0.666307 0.506605 0.781502 0.044 Uiso 1 1 calc R U . . .
C15 C 0.3177(10) 0.3066(4) 0.8272(4) 0.0346(15) Uani 1 1 d . U . . .
H15 H 0.311227 0.293646 0.868124 0.041 Uiso 1 1 calc R U . . .
C33 C 0.0483(9) 0.1287(4) 0.6801(4) 0.0311(19) Uani 1 1 d . U . . .
H33A H 0.004603 0.098299 0.655583 0.047 Uiso 1 1 calc R U . . .
H33B H -0.011168 0.152932 0.697070 0.047 Uiso 1 1 calc R U . . .
H33C H 0.104881 0.110604 0.711774 0.047 Uiso 1 1 calc R U . . .
C38 C -0.0569(8) 0.3006(4) 0.4748(4) 0.0266(19) Uani 1 1 d . U . . .
C34 C 0.1203(8) 0.1662(4) 0.6431(4) 0.0222(17) Uani 1 1 d . U . . .
C47 C 0.6280(8) 0.4494(4) 0.6309(4) 0.0289(14) Uani 1 1 d . U . . .
C44 C 0.6714(10) 0.2397(4) 0.7888(4) 0.035(2) Uani 1 1 d . U . . .
C28 C 0.4553(9) 0.1001(4) 0.6977(4) 0.0321(15) Uani 1 1 d . U . . .
C22 C -0.1108(9) 0.3744(5) 0.6351(4) 0.033(2) Uani 1 1 d . . . . .
H22A H -0.183213 0.354538 0.645980 0.049 Uiso 1 1 calc R U . . .
H22B H -0.118333 0.377495 0.592282 0.049 Uiso 1 1 calc R U . . .
H22C H -0.104822 0.413529 0.652394 0.049 Uiso 1 1 calc R U . . .
C42 C 0.2911(9) 0.1205(4) 0.4547(4) 0.032(2) Uani 1 1 d . U . . .
C4 C 0.7018(10) 0.5222(4) 0.7005(5) 0.0394(16) Uani 1 1 d . U . . .
H4 H 0.743707 0.557921 0.710097 0.047 Uiso 1 1 calc R U . . .
C39 C 0.5231(9) 0.3665(6) 0.3623(4) 0.043(2) Uani 1 1 d . U . . .
H39A H 0.477816 0.394172 0.334922 0.064 Uiso 1 1 calc R U . . .
H39B H 0.538275 0.330654 0.341235 0.064 Uiso 1 1 calc R U . . .
H39C H 0.601859 0.383666 0.379254 0.064 Uiso 1 1 calc R U . . .
N2 N 0.3187(8) 0.4573(3) 0.8409(2) 0.055(3) Uani 1 1 d G . . . .
H2 H 0.309527 0.460415 0.802433 0.066 Uiso 1 1 calc DR U . . .
C13 C 0.2813(11) 0.5024(3) 0.8746(3) 0.094(3) Uani 1 1 d G U . . .
H13 H 0.245960 0.536615 0.856106 0.112 Uiso 1 1 calc R U . . .
C14 C 0.2957(13) 0.4975(4) 0.9354(3) 0.095(3) Uani 1 1 d G U . . .
H14 H 0.270225 0.528293 0.958459 0.114 Uiso 1 1 calc R U . . .
C11 C 0.3475(13) 0.4474(4) 0.9625(2) 0.091(3) Uani 1 1 d G U . . .
H11 H 0.357331 0.444021 1.004078 0.109 Uiso 1 1 calc R U . . .
C8 C 0.3848(11) 0.4023(3) 0.9288(3) 0.079(2) Uani 1 1 d G U . . .
H8 H 0.420173 0.368070 0.947344 0.094 Uiso 1 1 calc R U . . .
C10 C 0.3704(9) 0.4072(3) 0.8680(3) 0.059(2) Uani 1 1 d G U . . .
C45 C 0.4995(8) 0.2270(4) 0.4663(4) 0.0284(19) Uani 1 1 d . . . . .
H45A H 0.460823 0.220696 0.425716 0.043 Uiso 1 1 calc R U . . .
H45B H 0.531129 0.189905 0.483290 0.043 Uiso 1 1 calc R U . . .
H45C H 0.567574 0.254696 0.466730 0.043 Uiso 1 1 calc R U . . .
C3 C 0.6872(9) 0.5019(4) 0.6434(5) 0.0346(15) Uani 1 1 d . U . . .
H3A H 0.717289 0.523668 0.613329 0.042 Uiso 1 1 calc R U . . .
C1 C 0.6592(11) 0.4569(5) 0.5295(5) 0.049(3) Uani 1 1 d . . . . .
H1A H 0.618735 0.495055 0.525418 0.074 Uiso 1 1 calc R U . . .
H1B H 0.642635 0.435727 0.492304 0.074 Uiso 1 1 calc R U . . .
H1C H 0.748132 0.462348 0.540019 0.074 Uiso 1 1 calc R U . . .
C37 C -0.1947(9) 0.3103(5) 0.4561(4) 0.041(2) Uani 1 1 d . U . . .
H37A H -0.206967 0.343939 0.429670 0.062 Uiso 1 1 calc R U . . .
H37B H -0.234473 0.317723 0.490938 0.062 Uiso 1 1 calc R U . . .
H37C H -0.230852 0.275593 0.435794 0.062 Uiso 1 1 calc R U . . .
C25 C 0.4083(10) 0.1047(4) 0.8121(4) 0.0342(15) Uani 1 1 d . U . . .
H25 H 0.391010 0.105607 0.851399 0.041 Uiso 1 1 calc R U . . .
C41 C 0.2821(13) 0.0626(5) 0.4236(5) 0.049(3) Uani 1 1 d . U . . .
H41A H 0.200396 0.045900 0.424675 0.073 Uiso 1 1 calc R U . . .
H41B H 0.344957 0.036194 0.443276 0.073 Uiso 1 1 calc R U . . .
H41C H 0.295234 0.068172 0.382752 0.073 Uiso 1 1 calc R U . . .
C27 C 0.4839(10) 0.0527(4) 0.7340(4) 0.0380(16) Uani 1 1 d . U . . .
H27 H 0.517547 0.018512 0.719380 0.046 Uiso 1 1 calc R U . . .
C26 C 0.4630(10) 0.0555(4) 0.7919(4) 0.0392(16) Uani 1 1 d . U . . .
H26 H 0.485940 0.023856 0.817708 0.047 Uiso 1 1 calc R U . . .
C30 C 0.5390(14) 0.0591(6) 0.6151(6) 0.063(4) Uani 1 1 d . . . . .
H30A H 0.546537 0.068755 0.574242 0.094 Uiso 1 1 calc R U . . .
H30B H 0.502233 0.020336 0.616698 0.094 Uiso 1 1 calc R U . . .
H30C H 0.620725 0.059285 0.638582 0.094 Uiso 1 1 calc R U . . .
C31 C 0.7912(9) 0.2212(6) 0.6004(6) 0.051(3) Uani 1 1 d . U . . .
H31A H 0.833178 0.240199 0.635832 0.076 Uiso 1 1 calc R U . . .
H31B H 0.830307 0.232722 0.566497 0.076 Uiso 1 1 calc R U . . .
H31C H 0.796612 0.178800 0.605325 0.076 Uiso 1 1 calc R U . . .
C43 C 0.7425(13) 0.1900(6) 0.7703(5) 0.059(3) Uani 1 1 d . U . . .
H43A H 0.699137 0.173488 0.733838 0.089 Uiso 1 1 calc R U . . .
H43B H 0.751275 0.160148 0.801030 0.089 Uiso 1 1 calc R U . . .
H43C H 0.824080 0.203460 0.763680 0.089 Uiso 1 1 calc R U . . .
C18 C -0.0193(6) 0.3437(4) 0.8152(2) 0.0544(19) Uani 1 1 d G U . . .
H18 H -0.077383 0.349866 0.841554 0.065 Uiso 1 1 calc R U . . .
C17 C 0.1020(6) 0.3302(4) 0.83692(17) 0.0489(17) Uani 1 1 d G U . . .
H17 H 0.126840 0.327115 0.878064 0.059 Uiso 1 1 calc R U . . .
C16 C 0.1870(4) 0.3213(3) 0.7984(2) 0.0376(14) Uani 1 1 d G U . . .
C21 C 0.1506(5) 0.3258(3) 0.7382(2) 0.0322(15) Uani 1 1 d G U . . .
C20 C 0.0293(5) 0.3393(3) 0.71653(18) 0.0386(16) Uani 1 1 d G U . . .
C19 C -0.0557(4) 0.3483(4) 0.7550(3) 0.0495(18) Uani 1 1 d G U . . .
H19 H -0.138572 0.357539 0.740212 0.059 Uiso 1 1 calc R U . . .
Dy2 Dy 0.45109(4) 0.34408(2) 0.55469(2) 0.01846(12) Uani 1 1 d . . . . .
C12 C 0.2466(18) 0.5042(6) 0.6131(9) 0.089(4) Uani 1 1 d . U . . .
H12A H 0.159755 0.514593 0.602517 0.134 Uiso 1 1 calc R U . . .
H12B H 0.297353 0.529703 0.592239 0.134 Uiso 1 1 calc R U . . .
H12C H 0.270335 0.508818 0.655535 0.134 Uiso 1 1 calc R U . . .
C35 C 0.1861(10) 0.3881(4) 0.4730(4) 0.035(2) Uani 1 1 d . . . . .
H35A H 0.150425 0.374738 0.433853 0.053 Uiso 1 1 calc R U . . .
H35B H 0.249754 0.417264 0.469451 0.053 Uiso 1 1 calc R U . . .
H35C H 0.121461 0.405491 0.492798 0.053 Uiso 1 1 calc R U . . .
O8 O 0.1806(5) 0.2270(2) 0.5297(2) 0.0160(11) Uani 1 1 d . . . . .
H8A H 0.111610 0.198190 0.525585 0.019 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy4 Dy5 3.8409(6) . ?
Dy4 Dy3 3.5720(6) . ?
Dy4 Dy1 3.6463(6) . ?
Dy4 O4 2.403(5) . ?
Dy4 O18 2.280(5) . ?
Dy4 O7 2.224(5) . ?
Dy4 O14 2.365(6) . ?
Dy4 O3 2.499(5) . ?
Dy4 O9 2.487(5) . ?
Dy4 O15 2.327(6) . ?
Dy4 Dy2 3.6228(6) . ?
Dy4 O8 2.418(5) . ?
Dy5 Dy3 3.7743(6) . ?
Dy5 O10 2.323(5) . ?
Dy5 O19 2.321(6) . ?
Dy5 O24 2.321(5) 4_565 ?
Dy5 O17 2.386(6) . ?
Dy5 O21 2.348(6) . ?
Dy5 O9 2.284(5) . ?
Dy5 Dy2 3.8228(6) . ?
Dy5 C35 2.980(10) . ?
Dy5 O8 2.296(5) . ?
Dy3 Dy1 3.6562(6) . ?
Dy3 O22 2.325(6) . ?
Dy3 O7 2.269(5) . ?
Dy3 O10 2.426(5) . ?
Dy3 O6 2.328(5) . ?
Dy3 O12 2.328(6) . ?
Dy3 O13 2.387(6) . ?
Dy3 O5 2.582(6) . ?
Dy3 Dy2 3.7136(6) . ?
Dy3 O8 2.359(5) . ?
Dy1 O4 2.270(5) . ?
Dy1 O2 2.273(6) . ?
Dy1 O7 2.230(5) . ?
Dy1 O6 2.280(6) . ?
Dy1 O23 2.279(6) . ?
Dy1 N1 2.407(7) . ?
Dy1 N3 2.496(7) . ?
Dy1 Dy2 3.6440(6) . ?
O4 C21 1.346(6) . ?
O18 C38 1.257(10) . ?
O22 C42 1.265(11) . ?
O2 C7 1.331(10) . ?
O2 Dy2 2.431(5) . ?
O7 Dy2 2.202(5) . ?
O10 C45 1.435(10) . ?
O10 Dy2 2.507(6) . ?
O6 C29 1.334(10) . ?
O16 C36 1.234(14) . ?
O16 Dy2 2.348(6) . ?
O11 C32 1.243(12) . ?
O11 Dy2 2.339(6) . ?
O14 C34 1.266(10) . ?
O23 C44 1.220(11) . ?
O19 C40 1.256(11) . ?
O24 C44 1.271(11) . ?
O3 C22 1.442(10) . ?
O3 C20 1.369(7) . ?
O17 C38 1.256(10) . ?
O12 C32 1.262(11) . ?
O21 C42 1.254(11) . ?
O9 Dy2 2.435(5) . ?
O9 C35 1.422(10) . ?
O13 C34 1.266(10) . ?
O1 C47 1.404(11) . ?
O1 C1 1.429(12) . ?
O1 Dy2 2.556(6) . ?
O15 C36 1.250(13) . ?
O20 C40 1.261(11) . ?
O20 Dy2 2.307(6) . ?
O5 C28 1.391(11) . ?
O5 C30 1.426(11) . ?
N1 H1 1.0000 . ?
N1 C9 1.507(12) . ?
N1 C46 1.492(12) . ?
N3 H3 1.0000 . ?
N3 C23 1.470(11) . ?
N3 C15 1.486(11) . ?
C7 C6 1.427(13) . ?
C7 C47 1.388(13) . ?
C6 C46 1.485(14) . ?
C6 C5 1.409(13) . ?
C29 C24 1.381(12) . ?
C29 C28 1.416(13) . ?
C24 C23 1.504(12) . ?
C24 C25 1.400(12) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C36 C12 1.486(17) . ?
C40 C39 1.509(13) . ?
C9 H9 1.0000 . ?
C9 C15 1.546(16) . ?
C9 C10 1.509(11) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C32 C31 1.512(13) . ?
C5 H5 0.9500 . ?
C5 C4 1.349(15) . ?
C15 H15 1.0000 . ?
C15 C16 1.532(11) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C33 C34 1.510(12) . ?
C38 C37 1.529(13) . ?
C47 C3 1.380(13) . ?
C44 C43 1.478(15) . ?
C28 C27 1.380(13) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C42 C41 1.506(14) . ?
C4 H4 0.9500 . ?
C4 C3 1.382(15) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
N2 H2 0.8800 . ?
N2 C13 1.3900 . ?
N2 C10 1.3900 . ?
C13 H13 0.9500 . ?
C13 C14 1.3900 . ?
C14 H14 0.9500 . ?
C14 C11 1.3900 . ?
C11 H11 0.9500 . ?
C11 C8 1.3900 . ?
C8 H8 0.9500 . ?
C8 C10 1.3900 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C3 H3A 0.9500 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C25 H25 0.9500 . ?
C25 C26 1.390(14) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C27 H27 0.9500 . ?
C27 C26 1.384(14) . ?
C26 H26 0.9500 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C18 H18 0.9500 . ?
C18 C17 1.3900 . ?
C18 C19 1.3900 . ?
C17 H17 0.9500 . ?
C17 C16 1.3900 . ?
C16 C21 1.3900 . ?
C21 C20 1.3900 . ?
C20 C19 1.3900 . ?
C19 H19 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
O8 H8A 1.0000 . ?

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
Dy3 Dy4 Dy5 61.087(12) . . ?
Dy3 Dy4 Dy1 60.854(12) . . ?
Dy3 Dy4 Dy2 62.144(13) . . ?
Dy1 Dy4 Dy5 110.836(14) . . ?
O4 Dy4 Dy5 148.20(13) . . ?
O4 Dy4 Dy3 91.51(13) . . ?
O4 Dy4 Dy1 37.42(13) . . ?
O4 Dy4 O3 64.67(18) . . ?
O4 Dy4 O9 131.92(18) . . ?
O4 Dy4 Dy2 92.45(13) . . ?
O4 Dy4 O8 129.55(18) . . ?
O18 Dy4 Dy5 68.41(13) . . ?
O18 Dy4 Dy3 118.74(14) . . ?
O18 Dy4 Dy1 179.17(14) . . ?
O18 Dy4 O4 143.35(19) . . ?
O18 Dy4 O14 97.4(2) . . ?
O18 Dy4 O3 78.71(19) . . ?
O18 Dy4 O9 76.97(19) . . ?
O18 Dy4 O15 95.5(2) . . ?
O18 Dy4 Dy2 119.01(14) . . ?
O18 Dy4 O8 77.78(19) . . ?
O7 Dy4 Dy5 75.75(13) . . ?
O7 Dy4 Dy3 37.79(14) . . ?
O7 Dy4 Dy1 35.11(13) . . ?
O7 Dy4 O4 72.53(18) . . ?
O7 Dy4 O18 144.12(18) . . ?
O7 Dy4 O14 94.2(2) . . ?
O7 Dy4 O3 137.10(18) . . ?
O7 Dy4 O9 72.56(18) . . ?
O7 Dy4 O15 93.8(2) . . ?
O7 Dy4 Dy2 34.85(13) . . ?
O7 Dy4 O8 73.58(19) . . ?
O14 Dy4 Dy5 106.61(14) . . ?
O14 Dy4 Dy3 68.11(14) . . ?
O14 Dy4 Dy1 83.08(15) . . ?
O14 Dy4 O4 73.84(19) . . ?
O14 Dy4 O3 77.20(19) . . ?
O14 Dy4 O9 140.49(18) . . ?
O14 Dy4 Dy2 127.87(14) . . ?
O14 Dy4 O8 72.58(18) . . ?
O3 Dy4 Dy5 147.12(13) . . ?
O3 Dy4 Dy3 142.46(13) . . ?
O3 Dy4 Dy1 102.04(13) . . ?
O3 Dy4 Dy2 141.58(14) . . ?
O9 Dy4 Dy5 34.63(12) . . ?
O9 Dy4 Dy3 80.34(12) . . ?
O9 Dy4 Dy1 102.21(12) . . ?
O9 Dy4 O3 137.19(18) . . ?
O9 Dy4 Dy2 42.06(12) . . ?
O15 Dy4 Dy5 108.08(14) . . ?
O15 Dy4 Dy3 130.70(15) . . ?
O15 Dy4 Dy1 84.35(15) . . ?
O15 Dy4 O4 76.6(2) . . ?
O15 Dy4 O14 145.3(2) . . ?
O15 Dy4 O3 74.0(2) . . ?
O15 Dy4 O9 73.90(19) . . ?
O15 Dy4 Dy2 70.66(15) . . ?
O15 Dy4 O8 141.86(19) . . ?
Dy2 Dy4 Dy5 61.538(12) . . ?
Dy2 Dy4 Dy1 60.171(12) . . ?
O8 Dy4 Dy5 34.39(12) . . ?
O8 Dy4 Dy3 40.98(12) . . ?
O8 Dy4 Dy1 101.80(13) . . ?
O8 Dy4 O3 138.52(19) . . ?
O8 Dy4 O9 68.00(17) . . ?
O8 Dy4 Dy2 79.89(12) . . ?
Dy3 Dy5 Dy4 55.939(11) . . ?
Dy3 Dy5 Dy2 58.521(11) . . ?
O10 Dy5 Dy4 77.15(12) . . ?
O10 Dy5 Dy3 38.33(13) . . ?
O10 Dy5 O17 147.32(18) . . ?
O10 Dy5 O21 81.2(2) . . ?
O10 Dy5 Dy2 39.39(14) . . ?
O10 Dy5 C35 97.5(2) . . ?
O19 Dy5 Dy4 117.94(16) . . ?
O19 Dy5 Dy3 115.79(15) . . ?
O19 Dy5 O10 77.7(2) . . ?
O19 Dy5 O17 123.3(2) . . ?
O19 Dy5 O21 115.2(2) . . ?
O19 Dy5 Dy2 68.41(14) . . ?
O19 Dy5 C35 69.5(3) . . ?
O24 Dy5 Dy4 148.16(15) 4_565 . ?
O24 Dy5 Dy3 148.54(15) 4_565 . ?
O24 Dy5 O10 134.54(19) 4_565 . ?
O24 Dy5 O19 74.7(2) 4_565 . ?
O24 Dy5 O17 77.9(2) 4_565 . ?
O24 Dy5 O21 78.9(2) 4_565 . ?
O24 Dy5 Dy2 142.92(14) 4_565 . ?
O24 Dy5 C35 105.7(2) 4_565 . ?
O17 Dy5 Dy4 70.86(14) . . ?
O17 Dy5 Dy3 113.48(14) . . ?
O17 Dy5 Dy2 119.95(15) . . ?
O17 Dy5 C35 71.7(3) . . ?
O21 Dy5 Dy4 115.51(14) . . ?
O21 Dy5 Dy3 69.79(14) . . ?
O21 Dy5 O17 106.6(2) . . ?
O21 Dy5 Dy2 120.01(15) . . ?
O21 Dy5 C35 174.4(2) . . ?
O9 Dy5 Dy4 38.22(13) . . ?
O9 Dy5 Dy3 78.29(13) . . ?
O9 Dy5 O10 75.22(19) . . ?
O9 Dy5 O19 80.7(2) . . ?
O9 Dy5 O24 133.10(19) . 4_565 ?
O9 Dy5 O17 83.5(2) . . ?
O9 Dy5 O21 147.99(19) . . ?
O9 Dy5 Dy2 37.26(14) . . ?
O9 Dy5 C35 27.5(2) . . ?
O9 Dy5 O8 73.59(18) . . ?
Dy2 Dy5 Dy4 56.421(11) . . ?
C35 Dy5 Dy4 58.92(19) . . ?
C35 Dy5 Dy3 105.78(18) . . ?
C35 Dy5 Dy2 58.16(19) . . ?
O8 Dy5 Dy4 36.50(13) . . ?
O8 Dy5 Dy3 36.39(13) . . ?
O8 Dy5 O10 73.27(18) . . ?
O8 Dy5 O19 145.11(19) . . ?
O8 Dy5 O24 140.16(19) . 4_565 ?
O8 Dy5 O17 77.1(2) . . ?
O8 Dy5 O21 79.16(19) . . ?
O8 Dy5 Dy2 76.87(13) . . ?
O8 Dy5 C35 95.3(2) . . ?
Dy4 Dy3 Dy5 62.974(12) . . ?
Dy4 Dy3 Dy1 60.577(12) . . ?
Dy4 Dy3 Dy2 59.599(12) . . ?
Dy1 Dy3 Dy5 112.132(15) . . ?
Dy1 Dy3 Dy2 59.261(12) . . ?
O22 Dy3 Dy4 124.68(14) . . ?
O22 Dy3 Dy5 71.68(14) . . ?
O22 Dy3 Dy1 174.71(15) . . ?
O22 Dy3 O10 79.80(19) . . ?
O22 Dy3 O6 140.82(19) . . ?
O22 Dy3 O12 101.4(2) . . ?
O22 Dy3 O13 84.8(2) . . ?
O22 Dy3 O5 79.3(2) . . ?
O22 Dy3 Dy2 121.78(14) . . ?
O22 Dy3 O8 82.45(19) . . ?
O7 Dy3 Dy4 36.91(13) . . ?
O7 Dy3 Dy5 76.83(12) . . ?
O7 Dy3 Dy1 35.30(12) . . ?
O7 Dy3 O22 148.28(19) . . ?
O7 Dy3 O10 72.54(18) . . ?
O7 Dy3 O6 70.42(18) . . ?
O7 Dy3 O12 87.1(2) . . ?
O7 Dy3 O13 107.13(19) . . ?
O7 Dy3 O5 131.88(19) . . ?
O7 Dy3 Dy2 33.26(13) . . ?
O7 Dy3 O8 73.95(18) . . ?
O10 Dy3 Dy4 81.82(12) . . ?
O10 Dy3 Dy5 36.43(13) . . ?
O10 Dy3 Dy1 101.08(13) . . ?
O10 Dy3 O5 135.91(18) . . ?
O10 Dy3 Dy2 41.99(13) . . ?
O6 Dy3 Dy4 81.54(13) . . ?
O6 Dy3 Dy5 143.91(13) . . ?
O6 Dy3 Dy1 37.02(14) . . ?
O6 Dy3 O10 137.0(2) . . ?
O6 Dy3 O12 80.7(2) . . ?
O6 Dy3 O13 72.0(2) . . ?
O6 Dy3 O5 64.46(19) . . ?
O6 Dy3 Dy2 96.00(14) . . ?
O6 Dy3 O8 117.86(18) . . ?
O12 Dy3 Dy4 123.92(17) . . ?
O12 Dy3 Dy5 112.82(15) . . ?
O12 Dy3 Dy1 73.86(17) . . ?
O12 Dy3 O10 76.4(2) . . ?
O12 Dy3 O13 142.2(2) . . ?
O12 Dy3 O5 70.3(2) . . ?
O12 Dy3 Dy2 70.04(16) . . ?
O12 Dy3 O8 145.3(2) . . ?
O13 Dy3 Dy4 77.92(14) . . ?
O13 Dy3 Dy5 104.59(15) . . ?
O13 Dy3 Dy1 97.48(15) . . ?
O13 Dy3 O10 141.0(2) . . ?
O13 Dy3 O5 74.4(2) . . ?
O13 Dy3 Dy2 137.29(14) . . ?
O5 Dy3 Dy4 141.23(13) . . ?
O5 Dy3 Dy5 150.88(14) . . ?
O5 Dy3 Dy1 96.70(15) . . ?
O5 Dy3 Dy2 138.08(16) . . ?
Dy2 Dy3 Dy5 61.393(12) . . ?
O8 Dy3 Dy4 42.24(12) . . ?
O8 Dy3 Dy5 35.26(12) . . ?
O8 Dy3 Dy1 102.78(12) . . ?
O8 Dy3 O10 70.33(17) . . ?
O8 Dy3 O13 72.2(2) . . ?
O8 Dy3 O5 143.1(2) . . ?
O8 Dy3 Dy2 78.62(13) . . ?
Dy4 Dy1 Dy3 58.569(12) . . ?
O4 Dy1 Dy4 40.05(13) . . ?
O4 Dy1 Dy3 91.62(13) . . ?
O4 Dy1 O2 107.3(2) . . ?
O4 Dy1 O6 93.8(2) . . ?
O4 Dy1 O23 155.19(19) . . ?
O4 Dy1 N1 80.3(2) . . ?
O4 Dy1 N3 76.8(2) . . ?
O4 Dy1 Dy2 94.21(13) . . ?
O2 Dy1 Dy4 90.00(15) . . ?
O2 Dy1 Dy3 99.71(14) . . ?
O2 Dy1 O6 134.1(2) . . ?
O2 Dy1 O23 87.7(2) . . ?
O2 Dy1 N1 76.7(2) . . ?
O2 Dy1 N3 145.8(2) . . ?
O2 Dy1 Dy2 40.82(14) . . ?
O7 Dy1 Dy4 35.00(13) . . ?
O7 Dy1 Dy3 36.01(14) . . ?
O7 Dy1 O4 75.05(18) . . ?
O7 Dy1 O2 74.73(19) . . ?
O7 Dy1 O6 72.00(19) . . ?
O7 Dy1 O23 128.9(2) . . ?
O7 Dy1 N1 134.2(2) . . ?
O7 Dy1 N3 136.8(2) . . ?
O7 Dy1 Dy2 34.44(13) . . ?
O6 Dy1 Dy4 80.44(14) . . ?
O6 Dy1 Dy3 37.94(13) . . ?
O6 Dy1 N1 148.4(2) . . ?
O6 Dy1 N3 77.9(2) . . ?
O6 Dy1 Dy2 98.80(13) . . ?
O23 Dy1 Dy4 163.26(16) . . ?
O23 Dy1 Dy3 105.51(16) . . ?
O23 Dy1 O6 89.3(2) . . ?
O23 Dy1 N1 84.3(2) . . ?
O23 Dy1 N3 79.8(2) . . ?
O23 Dy1 Dy2 109.66(14) . . ?
N1 Dy1 Dy4 111.30(17) . . ?
N1 Dy1 Dy3 169.55(17) . . ?
N1 Dy1 N3 70.5(2) . . ?
N1 Dy1 Dy2 112.55(18) . . ?
N3 Dy1 Dy4 110.52(16) . . ?
N3 Dy1 Dy3 114.27(16) . . ?
N3 Dy1 Dy2 170.10(16) . . ?
Dy2 Dy1 Dy4 59.595(12) . . ?
Dy2 Dy1 Dy3 61.154(12) . . ?
Dy1 O4 Dy4 102.53(19) . . ?
C21 O4 Dy4 122.1(4) . . ?
C21 O4 Dy1 134.7(4) . . ?
C38 O18 Dy4 141.4(5) . . ?
C42 O22 Dy3 135.1(6) . . ?
Dy1 O2 Dy2 101.5(2) . . ?
C7 O2 Dy1 137.0(5) . . ?
C7 O2 Dy2 120.6(5) . . ?
Dy4 O7 Dy3 105.3(2) . . ?
Dy4 O7 Dy1 109.9(2) . . ?
Dy1 O7 Dy3 108.7(2) . . ?
Dy2 O7 Dy4 109.9(2) . . ?
Dy2 O7 Dy3 112.3(2) . . ?
Dy2 O7 Dy1 110.6(2) . . ?
Dy5 O10 Dy3 105.2(2) . . ?
Dy5 O10 Dy2 104.6(2) . . ?
Dy3 O10 Dy2 97.67(18) . . ?
C45 O10 Dy5 111.0(5) . . ?
C45 O10 Dy3 116.4(5) . . ?
C45 O10 Dy2 120.1(5) . . ?
Dy1 O6 Dy3 105.0(2) . . ?
C29 O6 Dy3 123.3(5) . . ?
C29 O6 Dy1 130.1(5) . . ?
C36 O16 Dy2 129.9(6) . . ?
C32 O11 Dy2 134.2(6) . . ?
C34 O14 Dy4 141.4(5) . . ?
C44 O23 Dy1 141.1(7) . . ?
C40 O19 Dy5 138.5(5) . . ?
C44 O24 Dy5 150.9(6) . 4_666 ?
C22 O3 Dy4 125.0(5) . . ?
C20 O3 Dy4 117.5(4) . . ?
C20 O3 C22 116.3(6) . . ?
C38 O17 Dy5 132.6(5) . . ?
C32 O12 Dy3 137.8(6) . . ?
C42 O21 Dy5 137.6(6) . . ?
Dy5 O9 Dy4 107.1(2) . . ?
Dy5 O9 Dy2 108.1(2) . . ?
Dy2 O9 Dy4 94.78(17) . . ?
C35 O9 Dy4 120.7(5) . . ?
C35 O9 Dy5 104.6(5) . . ?
C35 O9 Dy2 120.5(5) . . ?
C34 O13 Dy3 123.4(5) . . ?
C47 O1 C1 116.5(7) . . ?
C47 O1 Dy2 116.7(5) . . ?
C1 O1 Dy2 123.9(6) . . ?
C36 O15 Dy4 136.9(7) . . ?
C40 O20 Dy2 134.4(6) . . ?
C28 O5 Dy3 115.4(5) . . ?
C28 O5 C30 118.3(7) . . ?
C30 O5 Dy3 125.5(6) . . ?
Dy1 N1 H1 105.9 . . ?
C9 N1 Dy1 115.1(6) . . ?
C9 N1 H1 105.9 . . ?
C46 N1 Dy1 115.6(5) . . ?
C46 N1 H1 105.9 . . ?
C46 N1 C9 107.7(7) . . ?
Dy1 N3 H3 106.8 . . ?
C23 N3 Dy1 114.0(5) . . ?
C23 N3 H3 106.8 . . ?
C23 N3 C15 114.2(7) . . ?
C15 N3 Dy1 107.8(5) . . ?
C15 N3 H3 106.8 . . ?
O2 C7 C6 122.4(8) . . ?
O2 C7 C47 120.5(8) . . ?
C47 C7 C6 117.0(8) . . ?
C7 C6 C46 124.1(8) . . ?
C5 C6 C7 118.3(9) . . ?
C5 C6 C46 117.4(9) . . ?
O6 C29 C24 122.3(8) . . ?
O6 C29 C28 118.3(8) . . ?
C24 C29 C28 119.4(8) . . ?
C29 C24 C23 118.9(7) . . ?
C29 C24 C25 118.7(8) . . ?
C25 C24 C23 122.2(8) . . ?
N3 C23 C24 112.3(7) . . ?
N3 C23 H23A 109.1 . . ?
N3 C23 H23B 109.1 . . ?
C24 C23 H23A 109.1 . . ?
C24 C23 H23B 109.1 . . ?
H23A C23 H23B 107.9 . . ?
O16 C36 O15 127.1(10) . . ?
O16 C36 C12 115.8(11) . . ?
O15 C36 C12 117.1(11) . . ?
O19 C40 O20 124.9(8) . . ?
O19 C40 C39 117.2(8) . . ?
O20 C40 C39 117.9(8) . . ?
N1 C9 H9 105.9 . . ?
N1 C9 C15 110.4(8) . . ?
N1 C9 C10 116.0(8) . . ?
C15 C9 H9 105.9 . . ?
C10 C9 H9 105.9 . . ?
C10 C9 C15 111.9(9) . . ?
N1 C46 H46A 108.3 . . ?
N1 C46 H46B 108.3 . . ?
C6 C46 N1 116.0(7) . . ?
C6 C46 H46A 108.3 . . ?
C6 C46 H46B 108.3 . . ?
H46A C46 H46B 107.4 . . ?
O11 C32 O12 124.6(8) . . ?
O11 C32 C31 117.9(9) . . ?
O12 C32 C31 117.5(9) . . ?
C6 C5 H5 118.8 . . ?
C4 C5 C6 122.4(10) . . ?
C4 C5 H5 118.8 . . ?
N3 C15 C9 106.1(8) . . ?
N3 C15 H15 106.5 . . ?
N3 C15 C16 114.6(7) . . ?
C9 C15 H15 106.5 . . ?
C16 C15 C9 115.9(8) . . ?
C16 C15 H15 106.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C34 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
C34 C33 H33C 109.5 . . ?
O18 C38 C37 115.5(8) . . ?
O17 C38 O18 125.5(8) . . ?
O17 C38 C37 119.0(8) . . ?
O14 C34 O13 124.6(7) . . ?
O14 C34 C33 117.9(7) . . ?
O13 C34 C33 117.5(8) . . ?
C7 C47 O1 113.9(7) . . ?
C3 C47 O1 122.8(9) . . ?
C3 C47 C7 123.4(9) . . ?
O23 C44 O24 123.7(9) . . ?
O23 C44 C43 116.2(9) . . ?
O24 C44 C43 119.4(8) . . ?
O5 C28 C29 114.2(7) . . ?
C27 C28 O5 124.8(8) . . ?
C27 C28 C29 120.9(8) . . ?
O3 C22 H22A 109.5 . . ?
O3 C22 H22B 109.5 . . ?
O3 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O22 C42 C41 117.7(9) . . ?
O21 C42 O22 125.3(8) . . ?
O21 C42 C41 117.0(8) . . ?
C5 C4 H4 119.9 . . ?
C5 C4 C3 120.1(9) . . ?
C3 C4 H4 119.9 . . ?
C40 C39 H39A 109.5 . . ?
C40 C39 H39B 109.5 . . ?
C40 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C13 N2 H2 120.0 . . ?
C13 N2 C10 120.0 . . ?
C10 N2 H2 120.0 . . ?
N2 C13 H13 120.0 . . ?
N2 C13 C14 120.0 . . ?
C14 C13 H13 120.0 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C11 120.0 . . ?
C11 C14 H14 120.0 . . ?
C14 C11 H11 120.0 . . ?
C8 C11 C14 120.0 . . ?
C8 C11 H11 120.0 . . ?
C11 C8 H8 120.0 . . ?
C10 C8 C11 120.0 . . ?
C10 C8 H8 120.0 . . ?
N2 C10 C9 121.1(6) . . ?
C8 C10 C9 118.9(6) . . ?
C8 C10 N2 120.0 . . ?
O10 C45 H45A 109.5 . . ?
O10 C45 H45B 109.5 . . ?
O10 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C3 C4 118.8(10) . . ?
C47 C3 H3A 120.6 . . ?
C4 C3 H3A 120.6 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C38 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
C38 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C24 C25 H25 119.4 . . ?
C26 C25 C24 121.3(9) . . ?
C26 C25 H25 119.4 . . ?
C42 C41 H41A 109.5 . . ?
C42 C41 H41B 109.5 . . ?
C42 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C28 C27 H27 120.3 . . ?
C28 C27 C26 119.4(9) . . ?
C26 C27 H27 120.3 . . ?
C25 C26 H26 120.1 . . ?
C27 C26 C25 119.9(9) . . ?
C27 C26 H26 120.1 . . ?
O5 C30 H30A 109.5 . . ?
O5 C30 H30B 109.5 . . ?
O5 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
C32 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C44 C43 H43A 109.5 . . ?
C44 C43 H43B 109.5 . . ?
C44 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C17 H17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C16 C15 115.5(5) . . ?
C17 C16 C21 120.0 . . ?
C21 C16 C15 124.5(5) . . ?
O4 C21 C16 123.3(4) . . ?
O4 C21 C20 116.7(4) . . ?
C20 C21 C16 120.0 . . ?
O3 C20 C21 117.3(4) . . ?
O3 C20 C19 122.7(4) . . ?
C21 C20 C19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C20 C19 H19 120.0 . . ?
Dy4 Dy2 Dy5 62.041(12) . . ?
Dy4 Dy2 Dy3 58.257(12) . . ?
Dy4 Dy2 Dy1 60.234(12) . . ?
Dy3 Dy2 Dy5 60.086(12) . . ?
Dy1 Dy2 Dy5 111.295(15) . . ?
Dy1 Dy2 Dy3 59.585(12) . . ?
O2 Dy2 Dy4 88.14(14) . . ?
O2 Dy2 Dy5 147.92(14) . . ?
O2 Dy2 Dy3 95.20(14) . . ?
O2 Dy2 Dy1 37.68(13) . . ?
O2 Dy2 O10 132.89(19) . . ?
O2 Dy2 O9 126.62(19) . . ?
O2 Dy2 O1 63.78(19) . . ?
O7 Dy2 Dy4 35.26(13) . . ?
O7 Dy2 Dy5 76.36(13) . . ?
O7 Dy2 Dy3 34.42(14) . . ?
O7 Dy2 Dy1 34.95(13) . . ?
O7 Dy2 O2 72.12(19) . . ?
O7 Dy2 O10 72.06(18) . . ?
O7 Dy2 O16 99.6(2) . . ?
O7 Dy2 O11 91.9(2) . . ?
O7 Dy2 O9 73.97(18) . . ?
O7 Dy2 O1 135.90(19) . . ?
O7 Dy2 O20 147.2(2) . . ?
O10 Dy2 Dy4 79.76(12) . . ?
O10 Dy2 Dy5 36.02(12) . . ?
O10 Dy2 Dy3 40.35(12) . . ?
O10 Dy2 Dy1 99.78(12) . . ?
O10 Dy2 O1 141.41(19) . . ?
O16 Dy2 Dy4 74.17(15) . . ?
O16 Dy2 Dy5 106.28(15) . . ?
O16 Dy2 Dy3 131.63(15) . . ?
O16 Dy2 Dy1 90.79(15) . . ?
O16 Dy2 O2 73.7(2) . . ?
O16 Dy2 O10 142.04(19) . . ?
O16 Dy2 O9 72.76(19) . . ?
O16 Dy2 O1 69.5(2) . . ?
O11 Dy2 Dy4 126.65(15) . . ?
O11 Dy2 Dy5 110.52(15) . . ?
O11 Dy2 Dy3 72.39(15) . . ?
O11 Dy2 Dy1 78.84(14) . . ?
O11 Dy2 O2 76.8(2) . . ?
O11 Dy2 O10 74.9(2) . . ?
O11 Dy2 O16 143.1(2) . . ?
O11 Dy2 O9 144.0(2) . . ?
O11 Dy2 O1 77.8(2) . . ?
O9 Dy2 Dy4 43.16(12) . . ?
O9 Dy2 Dy5 34.60(12) . . ?
O9 Dy2 Dy3 78.01(12) . . ?
O9 Dy2 Dy1 103.38(12) . . ?
O9 Dy2 O10 69.34(17) . . ?
O9 Dy2 O1 134.80(19) . . ?
O1 Dy2 Dy4 138.82(15) . . ?
O1 Dy2 Dy5 147.45(14) . . ?
O1 Dy2 Dy3 146.96(14) . . ?
O1 Dy2 Dy1 101.12(14) . . ?
O20 Dy2 Dy4 125.74(15) . . ?
O20 Dy2 Dy5 71.33(15) . . ?
O20 Dy2 Dy3 118.67(17) . . ?
O20 Dy2 Dy1 172.74(17) . . ?
O20 Dy2 O2 140.6(2) . . ?
O20 Dy2 O10 78.4(2) . . ?
O20 Dy2 O16 95.0(2) . . ?
O20 Dy2 O11 93.9(2) . . ?
O20 Dy2 O9 82.6(2) . . ?
O20 Dy2 O1 76.8(2) . . ?
C36 C12 H12A 109.5 . . ?
C36 C12 H12B 109.5 . . ?
C36 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Dy5 C35 H35A 61.8 . . ?
Dy5 C35 H35B 120.8 . . ?
Dy5 C35 H35C 129.1 . . ?
O9 C35 Dy5 47.9(4) . . ?
O9 C35 H35A 109.5 . . ?
O9 C35 H35B 109.5 . . ?
O9 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Dy4 O8 H8A 113.7 . . ?
Dy5 O8 Dy4 109.1(2) . . ?
Dy5 O8 Dy3 108.3(2) . . ?
Dy5 O8 H8A 113.7 . . ?
Dy3 O8 Dy4 96.78(18) . . ?
Dy3 O8 H8A 113.7 . . ?

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
Dy4 O4 C21 C16 167.8(4) . . . . ?
Dy4 O4 C21 C20 -11.4(7) . . . . ?
Dy4 O18 C38 O17 -12.5(16) . . . . ?
Dy4 O18 C38 C37 169.4(7) . . . . ?
Dy4 O14 C34 O13 2.1(15) . . . . ?
Dy4 O14 C34 C33 -177.7(6) . . . . ?
Dy4 O3 C20 C21 9.1(7) . . . . ?
Dy4 O3 C20 C19 -169.1(4) . . . . ?
Dy4 O9 C35 Dy5 -120.6(5) . . . . ?
Dy4 O15 C36 O16 2(2) . . . . ?
Dy4 O15 C36 C12 -178.9(11) . . . . ?
Dy5 O19 C40 O20 -22.1(17) . . . . ?
Dy5 O19 C40 C39 157.3(8) . . . . ?
Dy5 O24 C44 O23 -146.8(9) 4_666 . . . ?
Dy5 O24 C44 C43 43(2) 4_666 . . . ?
Dy5 O17 C38 O18 -2.3(15) . . . . ?
Dy5 O17 C38 C37 175.7(7) . . . . ?
Dy5 O21 C42 O22 1.0(16) . . . . ?
Dy5 O21 C42 C41 -179.9(7) . . . . ?
Dy3 O22 C42 O21 7.9(15) . . . . ?
Dy3 O22 C42 C41 -171.2(7) . . . . ?
Dy3 O6 C29 C24 -154.5(7) . . . . ?
Dy3 O6 C29 C28 23.7(12) . . . . ?
Dy3 O12 C32 O11 12.2(16) . . . . ?
Dy3 O12 C32 C31 -169.2(8) . . . . ?
Dy3 O13 C34 O14 20.5(12) . . . . ?
Dy3 O13 C34 C33 -159.7(6) . . . . ?
Dy3 O5 C28 C29 -7.2(11) . . . . ?
Dy3 O5 C28 C27 169.6(9) . . . . ?
Dy1 O4 C21 C16 -0.9(10) . . . . ?
Dy1 O4 C21 C20 179.9(4) . . . . ?
Dy1 O2 C7 C6 -1.1(14) . . . . ?
Dy1 O2 C7 C47 176.5(6) . . . . ?
Dy1 O6 C29 C24 41.7(13) . . . . ?
Dy1 O6 C29 C28 -140.0(7) . . . . ?
Dy1 O23 C44 O24 -60.1(16) . . . . ?
Dy1 O23 C44 C43 110.1(12) . . . . ?
Dy1 N1 C9 C15 -28.3(10) . . . . ?
Dy1 N1 C9 C10 -156.9(7) . . . . ?
Dy1 N1 C46 C6 65.8(9) . . . . ?
Dy1 N3 C23 C24 66.1(8) . . . . ?
Dy1 N3 C15 C9 -56.6(7) . . . . ?
Dy1 N3 C15 C16 72.6(8) . . . . ?
O4 C21 C20 O3 0.9(7) . . . . ?
O4 C21 C20 C19 179.2(7) . . . . ?
O2 C7 C6 C46 6.4(14) . . . . ?
O2 C7 C6 C5 -179.1(8) . . . . ?
O2 C7 C47 O1 -1.0(12) . . . . ?
O2 C7 C47 C3 178.7(8) . . . . ?
O6 C29 C24 C23 10.5(14) . . . . ?
O6 C29 C24 C25 -174.1(9) . . . . ?
O6 C29 C28 O5 -8.8(13) . . . . ?
O6 C29 C28 C27 174.2(10) . . . . ?
O3 C20 C19 C18 178.2(8) . . . . ?
O1 C47 C3 C4 -177.7(9) . . . . ?
O5 C28 C27 C26 -174.6(10) . . . . ?
N1 C9 C15 N3 57.0(9) . . . . ?
N1 C9 C15 C16 -71.5(10) . . . . ?
N1 C9 C10 N2 25.3(14) . . . . ?
N1 C9 C10 C8 -155.1(8) . . . . ?
N3 C15 C16 C17 135.5(7) . . . . ?
N3 C15 C16 C21 -44.4(10) . . . . ?
C7 C6 C46 N1 -42.6(13) . . . . ?
C7 C6 C5 C4 -2.2(15) . . . . ?
C7 C47 C3 C4 2.5(15) . . . . ?
C6 C7 C47 O1 176.7(8) . . . . ?
C6 C7 C47 C3 -3.5(14) . . . . ?
C6 C5 C4 C3 1.2(16) . . . . ?
C29 C24 C23 N3 -68.4(11) . . . . ?
C29 C24 C25 C26 -2.8(16) . . . . ?
C29 C28 C27 C26 2.0(17) . . . . ?
C24 C29 C28 O5 169.5(9) . . . . ?
C24 C29 C28 C27 -7.5(16) . . . . ?
C24 C25 C26 C27 -2.7(17) . . . . ?
C23 N3 C15 C9 175.5(7) . . . . ?
C23 N3 C15 C16 -55.3(9) . . . . ?
C23 C24 C25 C26 172.5(10) . . . . ?
C9 N1 C46 C6 -163.8(8) . . . . ?
C9 C15 C16 C17 -100.4(8) . . . . ?
C9 C15 C16 C21 79.7(9) . . . . ?
C46 N1 C9 C15 -158.9(8) . . . . ?
C46 N1 C9 C10 72.6(11) . . . . ?
C46 C6 C5 C4 172.7(10) . . . . ?
C5 C6 C46 N1 142.8(9) . . . . ?
C5 C4 C3 C47 -1.2(15) . . . . ?
C15 N3 C23 C24 -169.4(7) . . . . ?
C15 C9 C10 N2 -102.6(9) . . . . ?
C15 C9 C10 C8 77.0(10) . . . . ?
C15 C16 C21 O4 0.8(9) . . . . ?
C15 C16 C21 C20 179.9(8) . . . . ?
C47 C7 C6 C46 -171.4(9) . . . . ?
C47 C7 C6 C5 3.2(13) . . . . ?
C28 C29 C24 C23 -167.7(9) . . . . ?
C28 C29 C24 C25 7.7(15) . . . . ?
C28 C27 C26 C25 3.0(17) . . . . ?
C22 O3 C20 C21 -159.1(7) . . . . ?
C22 O3 C20 C19 22.7(10) . . . . ?
N2 C13 C14 C11 0.0 . . . . ?
C13 N2 C10 C9 179.6(11) . . . . ?
C13 N2 C10 C8 0.0 . . . . ?
C13 C14 C11 C8 0.0 . . . . ?
C14 C11 C8 C10 0.0 . . . . ?
C11 C8 C10 C9 -179.6(11) . . . . ?
C11 C8 C10 N2 0.0 . . . . ?
C10 C9 C15 N3 -172.3(7) . . . . ?
C10 C9 C15 C16 59.3(10) . . . . ?
C10 N2 C13 C14 0.0 . . . . ?
C1 O1 C47 C7 178.2(9) . . . . ?
C1 O1 C47 C3 -1.6(13) . . . . ?
C25 C24 C23 N3 116.3(10) . . . . ?
C30 O5 C28 C29 162.5(11) . . . . ?
C30 O5 C28 C27 -20.7(16) . . . . ?
C18 C17 C16 C15 -179.9(8) . . . . ?
C18 C17 C16 C21 0.0 . . . . ?
C17 C18 C19 C20 0.0 . . . . ?
C17 C16 C21 O4 -179.1(8) . . . . ?
C17 C16 C21 C20 0.0 . . . . ?
C16 C21 C20 O3 -178.3(7) . . . . ?
C16 C21 C20 C19 0.0 . . . . ?
C21 C20 C19 C18 0.0 . . . . ?
C19 C18 C17 C16 0.0 . . . . ?
Dy2 O2 C7 C6 165.8(7) . . . . ?
Dy2 O2 C7 C47 -16.6(11) . . . . ?
Dy2 O16 C36 O15 -13(2) . . . . ?
Dy2 O16 C36 C12 167.3(11) . . . . ?
Dy2 O11 C32 O12 -1.5(15) . . . . ?
Dy2 O11 C32 C31 179.9(7) . . . . ?
Dy2 O9 C35 Dy5 121.9(5) . . . . ?
Dy2 O1 C47 C7 16.7(9) . . . . ?
Dy2 O1 C47 C3 -163.1(7) . . . . ?
Dy2 O20 C40 O19 18.4(16) . . . . ?
Dy2 O20 C40 C39 -161.0(7) . . . . ?


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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2219741'
loop_
_audit_author_name
_audit_author_address
'Wen-qiang Li Wen-qiang Li'
;Guangxi normal university
China
;
_audit_update_record             
;
2022-11-15 deposited with the CCDC.	2022-12-19 downloaded from the CCDC.
;
_audit_creation_date             2022-08-19
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H64 Cl6 Dy4 N6 O14'
_chemical_formula_sum            'C60 H60 Cl6 Dy4 N6 O14'
_chemical_formula_weight         1953.85
_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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.9250(3)
_cell_length_b                   11.2522(4)
_cell_length_c                   16.2537(5)
_cell_angle_alpha                96.322(3)
_cell_angle_beta                 98.838(2)
_cell_angle_gamma                111.745(3)
_cell_volume                     1803.23(11)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    7361
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.371
_cell_measurement_theta_min      3.313
_shelx_estimated_absorpt_T_max   0.506
_shelx_estimated_absorpt_T_min   0.396
_exptl_absorpt_coefficient_mu    4.379
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.799
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             942
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   0.455
_exptl_transmission_factor_min   0.333
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_av_unetI/netI     0.0483
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25793
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         3.313
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'marXperts MX300 CCD Detector'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5815
_reflns_number_total             7361
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.360
_refine_diff_density_min         -0.742
_refine_diff_density_rms         0.116
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         7361
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0293
_refine_ls_restrained_S_all      1.045
_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)+(0.0231P)²+0.0674P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0597
_refine_ls_wR_factor_ref         0.0658
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H7 of O7, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H4 of O4
2.a Ternary CH refined with riding coordinates:
 O7(H7), N1(H1), N3(H3), C9(H9), C15(H15)
2.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C23(H23A,H23B)
2.c Aromatic/amide H refined with riding coordinates:
 C17(H17), C14(H14), C27(H27), C25(H25), C11(H11), C18(H18), C12(H12),
 C26(H26), C19(H19), C3(H3A), C13(H13), C5(H5), C4(H4A)
2.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C30(H30A,H30B,H30C), C22(H22A,H22B,H22C)
2.e Idealised tetrahedral OH refined as rotating group:
 O4(H4)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.61253(2) 0.46410(2) 0.18485(2) 0.02592(7) Uani 1 1 d . . . . .
Dy2 Dy 0.40603(2) 0.31566(2) -0.04275(2) 0.02579(7) Uani 1 1 d . . . . .
Cl2 Cl 0.79189(11) 0.71313(12) 0.18662(8) 0.0439(3) Uani 1 1 d . . . . .
Cl1 Cl 0.80271(12) 0.38310(14) 0.15317(9) 0.0544(4) Uani 1 1 d . . . . .
Cl3 Cl 0.29147(13) 0.05916(12) -0.08433(9) 0.0542(4) Uani 1 1 d . . . . .
O7 O 0.3910(2) 0.5155(3) -0.04096(16) 0.0257(7) Uani 1 1 d . . . . .
H7 H 0.309972 0.517025 -0.022925 0.031 Uiso 1 1 calc R U . . .
O2 O 0.4839(3) 0.5838(3) 0.14513(18) 0.0308(7) Uani 1 1 d . . . . .
O6 O 0.4368(3) 0.2891(3) 0.09719(17) 0.0298(7) Uani 1 1 d . . . . .
O1 O 0.4056(3) 0.7430(3) 0.06682(19) 0.0343(7) Uani 1 1 d . . . . .
O5 O 0.2018(3) 0.2752(3) 0.0237(2) 0.0398(8) Uani 1 1 d . . . . .
N1 N 0.5058(3) 0.5064(3) 0.3030(2) 0.0281(8) Uani 1 1 d . . . . .
H1 H 0.541322 0.600932 0.321755 0.034 Uiso 1 1 calc R U . . .
N3 N 0.5584(3) 0.2770(3) 0.2716(2) 0.0310(9) Uani 1 1 d . . . . .
H3 H 0.646553 0.276655 0.294691 0.037 Uiso 1 1 calc R U . . .
N2 N 0.7653(3) 0.5331(4) 0.3319(2) 0.0362(9) Uani 1 1 d . . . . .
C7 C 0.3788(4) 0.6042(4) 0.1654(3) 0.0286(10) Uani 1 1 d . . . . .
C29 C 0.3279(4) 0.2043(4) 0.1202(3) 0.0301(11) Uani 1 1 d . . . . .
C8 C 0.3566(4) 0.4595(5) 0.2762(3) 0.0345(11) Uani 1 1 d . . . . .
H8A H 0.322019 0.373562 0.241359 0.041 Uiso 1 1 calc R U . . .
H8B H 0.317554 0.451637 0.326054 0.041 Uiso 1 1 calc R U . . .
O4 O 0.3594(4) 0.2691(4) 0.4717(3) 0.0683(12) Uani 1 1 d . . . . .
H4 H 0.303238 0.229865 0.497865 0.102 Uiso 1 1 calc R U . . .
C2 C 0.3320(4) 0.6868(4) 0.1243(3) 0.0304(10) Uani 1 1 d . . . . .
C28 C 0.2000(4) 0.1940(5) 0.0819(3) 0.0367(12) Uani 1 1 d . . . . .
C24 C 0.3412(5) 0.1282(4) 0.1794(3) 0.0357(11) Uani 1 1 d . . . . .
C9 C 0.5510(4) 0.4504(4) 0.3745(3) 0.0321(11) Uani 1 1 d . . . . .
H9 H 0.512991 0.468221 0.422946 0.039 Uiso 1 1 calc R U . . .
C15 C 0.5059(4) 0.3031(4) 0.3473(3) 0.0332(11) Uani 1 1 d . . . . .
H15 H 0.407356 0.266436 0.329951 0.040 Uiso 1 1 calc R U . . .
C10 C 0.7031(4) 0.5142(4) 0.3982(3) 0.0345(11) Uani 1 1 d . . . . .
O3 O 0.4169(4) 0.1936(4) 0.6165(2) 0.0731(12) Uani 1 1 d . . . . .
C1 C 0.3736(5) 0.8423(4) 0.0295(3) 0.0430(12) Uani 1 1 d . . . . .
H1A H 0.387941 0.913537 0.073326 0.065 Uiso 1 1 calc R U . . .
H1B H 0.280960 0.805995 -0.000016 0.065 Uiso 1 1 calc R U . . .
H1C H 0.430646 0.873022 -0.009597 0.065 Uiso 1 1 calc R U . . .
C6 C 0.3130(4) 0.5465(4) 0.2280(3) 0.0347(11) Uani 1 1 d . . . . .
C23 C 0.4795(5) 0.1431(4) 0.2208(3) 0.0383(12) Uani 1 1 d . . . . .
H23A H 0.526463 0.126455 0.177805 0.046 Uiso 1 1 calc R U . . .
H23B H 0.472426 0.079556 0.257595 0.046 Uiso 1 1 calc R U . . .
C16 C 0.5410(5) 0.2427(4) 0.4228(3) 0.0366(12) Uani 1 1 d . . . . .
C17 C 0.6484(5) 0.2050(5) 0.4363(3) 0.0474(13) Uani 1 1 d . . . . .
H17 H 0.702676 0.212567 0.396740 0.057 Uiso 1 1 calc R U . . .
C14 C 0.8993(5) 0.5830(5) 0.3480(3) 0.0507(14) Uani 1 1 d . . . . .
H14 H 0.942826 0.595757 0.302839 0.061 Uiso 1 1 calc R U . . .
C27 C 0.0851(5) 0.1086(5) 0.1021(3) 0.0494(14) Uani 1 1 d . . . . .
H27 H 0.000127 0.102995 0.077134 0.059 Uiso 1 1 calc R U . . .
C25 C 0.2256(5) 0.0411(5) 0.1996(3) 0.0458(14) Uani 1 1 d . . . . .
H25 H 0.233114 -0.010595 0.239430 0.055 Uiso 1 1 calc R U . . .
C21 C 0.4640(5) 0.2320(5) 0.4838(3) 0.0437(13) Uani 1 1 d . . . . .
C11 C 0.7744(5) 0.5454(5) 0.4800(3) 0.0482(13) Uani 1 1 d . . . . .
H11 H 0.729416 0.530935 0.524374 0.058 Uiso 1 1 calc R U . . .
C18 C 0.6758(5) 0.1561(5) 0.5083(4) 0.0581(16) Uani 1 1 d . . . . .
H18 H 0.745717 0.127398 0.515482 0.070 Uiso 1 1 calc R U . . .
C12 C 0.9134(6) 0.5985(6) 0.4962(4) 0.0629(17) Uani 1 1 d . . . . .
H12 H 0.963703 0.621631 0.551335 0.075 Uiso 1 1 calc R U . . .
C26 C 0.1002(5) 0.0317(5) 0.1606(3) 0.0577(17) Uani 1 1 d . . . . .
H26 H 0.023770 -0.027889 0.173813 0.069 Uiso 1 1 calc R U . . .
C30 C 0.0826(5) 0.2991(6) 0.0000(4) 0.0639(17) Uani 1 1 d . . . . .
H30A H 0.098211 0.361506 -0.037029 0.096 Uiso 1 1 calc R U . . .
H30B H 0.059906 0.332406 0.049837 0.096 Uiso 1 1 calc R U . . .
H30C H 0.009666 0.219271 -0.028617 0.096 Uiso 1 1 calc R U . . .
C19 C 0.6001(6) 0.1498(5) 0.5691(4) 0.0603(16) Uani 1 1 d . . . . .
H19 H 0.620307 0.118566 0.617885 0.072 Uiso 1 1 calc R U . . .
C3 C 0.2228(5) 0.7110(5) 0.1406(3) 0.0495(14) Uani 1 1 d . . . . .
H3A H 0.193037 0.765193 0.111528 0.059 Uiso 1 1 calc R U . . .
C13 C 0.9753(5) 0.6163(5) 0.4283(4) 0.0626(17) Uani 1 1 d . . . . .
H13 H 1.068854 0.651008 0.437152 0.075 Uiso 1 1 calc R U . . .
C20 C 0.4960(6) 0.1889(5) 0.5584(3) 0.0524(15) Uani 1 1 d . . . . .
C5 C 0.2032(5) 0.5729(6) 0.2440(4) 0.0603(17) Uani 1 1 d . . . . .
H5 H 0.158562 0.535457 0.284833 0.072 Uiso 1 1 calc R U . . .
C4 C 0.1589(6) 0.6534(6) 0.2008(4) 0.071(2) Uani 1 1 d . . . . .
H4A H 0.084858 0.668604 0.212644 0.086 Uiso 1 1 calc R U . . .
C22 C 0.4200(7) 0.1249(6) 0.6855(4) 0.085(2) Uani 1 1 d . . . . .
H22A H 0.389729 0.033623 0.663664 0.128 Uiso 1 1 calc R U . . .
H22B H 0.361822 0.138361 0.720838 0.128 Uiso 1 1 calc R U . . .
H22C H 0.510452 0.156636 0.718117 0.128 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.8533(3) . ?
Dy1 Dy2 3.6063(3) 2_665 ?
Dy1 Cl2 2.7548(11) . ?
Dy1 Cl1 2.6536(12) . ?
Dy1 O7 2.371(3) 2_665 ?
Dy1 O2 2.350(3) . ?
Dy1 O6 2.309(3) . ?
Dy1 N1 2.484(3) . ?
Dy1 N3 2.600(4) . ?
Dy1 N2 2.550(4) . ?
Dy2 Dy2 3.8600(4) 2_665 ?
Dy2 Cl2 2.8300(12) 2_665 ?
Dy2 Cl3 2.6433(13) . ?
Dy2 O7 2.312(3) . ?
Dy2 O7 2.400(2) 2_665 ?
Dy2 O2 2.349(3) 2_665 ?
Dy2 O6 2.316(3) . ?
Dy2 O1 2.454(3) 2_665 ?
Dy2 O5 2.539(3) . ?
O7 H7 0.9800 . ?
O2 C7 1.332(5) . ?
O6 C29 1.357(4) . ?
O1 C2 1.379(5) . ?
O1 C1 1.454(5) . ?
O5 C28 1.383(5) . ?
O5 C30 1.429(5) . ?
N1 H1 0.9800 . ?
N1 C8 1.490(5) . ?
N1 C9 1.485(5) . ?
N3 H3 0.9800 . ?
N3 C15 1.480(5) . ?
N3 C23 1.497(5) . ?
N2 C10 1.356(5) . ?
N2 C14 1.329(5) . ?
C7 C2 1.399(6) . ?
C7 C6 1.414(6) . ?
C29 C28 1.397(6) . ?
C29 C24 1.382(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C6 1.483(6) . ?
O4 H4 0.8200 . ?
O4 C21 1.350(6) . ?
C2 C3 1.374(6) . ?
C28 C27 1.382(6) . ?
C24 C23 1.496(6) . ?
C24 C25 1.394(6) . ?
C9 H9 0.9800 . ?
C9 C15 1.533(6) . ?
C9 C10 1.511(6) . ?
C15 H15 0.9800 . ?
C15 C16 1.533(6) . ?
C10 C11 1.369(6) . ?
O3 C20 1.383(6) . ?
O3 C22 1.434(6) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C6 C5 1.392(6) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C16 C17 1.383(6) . ?
C16 C21 1.383(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.384(7) . ?
C14 H14 0.9300 . ?
C14 C13 1.365(6) . ?
C27 H27 0.9300 . ?
C27 C26 1.386(8) . ?
C25 H25 0.9300 . ?
C25 C26 1.379(7) . ?
C21 C20 1.398(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.379(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.375(7) . ?
C12 H12 0.9300 . ?
C12 C13 1.376(7) . ?
C26 H26 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C19 H19 0.9300 . ?
C19 C20 1.359(7) . ?
C3 H3A 0.9300 . ?
C3 C4 1.371(7) . ?
C13 H13 0.9300 . ?
C5 H5 0.9300 . ?
C5 C4 1.381(7) . ?
C4 H4A 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Dy2 Dy1 Dy2 62.219(7) 2_665 . ?
Cl2 Dy1 Dy2 108.58(3) . . ?
Cl2 Dy1 Dy2 50.70(3) . 2_665 ?
Cl1 Dy1 Dy2 91.12(3) . . ?
Cl1 Dy1 Dy2 107.24(3) . 2_665 ?
Cl1 Dy1 Cl2 87.53(4) . . ?
O7 Dy1 Dy2 36.38(6) 2_665 . ?
O7 Dy1 Dy2 39.05(7) 2_665 2_665 ?
O7 Dy1 Cl2 74.02(7) 2_665 . ?
O7 Dy1 Cl1 78.57(7) 2_665 . ?
O7 Dy1 N1 140.80(11) 2_665 . ?
O7 Dy1 N3 137.18(10) 2_665 . ?
O7 Dy1 N2 143.38(10) 2_665 . ?
O2 Dy1 Dy2 39.85(6) . 2_665 ?
O2 Dy1 Dy2 70.83(7) . . ?
O2 Dy1 Cl2 73.13(7) . . ?
O2 Dy1 Cl1 146.84(7) . . ?
O2 Dy1 O7 70.42(9) . 2_665 ?
O2 Dy1 N1 70.82(10) . . ?
O2 Dy1 N3 128.81(10) . . ?
O2 Dy1 N2 118.83(11) . . ?
O6 Dy1 Dy2 33.65(7) . . ?
O6 Dy1 Dy2 92.91(7) . 2_665 ?
O6 Dy1 Cl2 142.02(7) . . ?
O6 Dy1 Cl1 95.09(8) . . ?
O6 Dy1 O7 69.46(9) . 2_665 ?
O6 Dy1 O2 85.01(10) . . ?
O6 Dy1 N1 101.52(10) . . ?
O6 Dy1 N3 74.50(10) . . ?
O6 Dy1 N2 142.25(11) . . ?
N1 Dy1 Dy2 107.33(8) . 2_665 ?
N1 Dy1 Dy2 121.79(8) . . ?
N1 Dy1 Cl2 100.07(8) . . ?
N1 Dy1 Cl1 140.56(9) . . ?
N1 Dy1 N3 68.29(11) . . ?
N1 Dy1 N2 64.78(11) . . ?
N3 Dy1 Dy2 107.06(7) . . ?
N3 Dy1 Dy2 165.00(8) . 2_665 ?
N3 Dy1 Cl2 143.08(8) . . ?
N3 Dy1 Cl1 82.43(8) . . ?
N2 Dy1 Dy2 124.40(8) . 2_665 ?
N2 Dy1 Dy2 170.33(9) . . ?
N2 Dy1 Cl2 75.57(8) . . ?
N2 Dy1 Cl1 80.22(9) . . ?
N2 Dy1 N3 67.75(11) . . ?
Dy1 Dy2 Dy1 117.782(7) 2_665 . ?
Dy1 Dy2 Dy2 55.750(7) . 2_665 ?
Dy1 Dy2 Dy2 62.032(7) 2_665 2_665 ?
Cl2 Dy2 Dy1 154.71(3) 2_665 . ?
Cl2 Dy2 Dy1 48.87(2) 2_665 2_665 ?
Cl2 Dy2 Dy2 106.74(3) 2_665 2_665 ?
Cl3 Dy2 Dy1 124.65(3) . 2_665 ?
Cl3 Dy2 Dy1 117.55(3) . . ?
Cl3 Dy2 Dy2 173.25(3) . 2_665 ?
Cl3 Dy2 Cl2 79.85(4) . 2_665 ?
O7 Dy2 Dy1 35.87(6) 2_665 . ?
O7 Dy2 Dy1 40.23(6) . 2_665 ?
O7 Dy2 Dy1 88.92(7) 2_665 2_665 ?
O7 Dy2 Dy1 84.34(6) . . ?
O7 Dy2 Dy2 34.25(7) 2_665 2_665 ?
O7 Dy2 Dy2 35.74(6) . 2_665 ?
O7 Dy2 Cl2 137.63(7) 2_665 2_665 ?
O7 Dy2 Cl2 73.39(7) . 2_665 ?
O7 Dy2 Cl3 140.01(8) 2_665 . ?
O7 Dy2 Cl3 149.63(7) . . ?
O7 Dy2 O7 70.00(11) . 2_665 ?
O7 Dy2 O2 71.45(9) . 2_665 ?
O7 Dy2 O6 105.88(10) . . ?
O7 Dy2 O1 72.66(9) 2_665 2_665 ?
O7 Dy2 O1 128.19(9) . 2_665 ?
O7 Dy2 O5 113.78(9) 2_665 . ?
O7 Dy2 O5 80.43(10) . . ?
O2 Dy2 Dy1 39.87(7) 2_665 2_665 ?
O2 Dy2 Dy1 112.78(7) 2_665 . ?
O2 Dy2 Dy2 70.70(7) 2_665 2_665 ?
O2 Dy2 Cl2 71.71(7) 2_665 2_665 ?
O2 Dy2 Cl3 113.50(8) 2_665 . ?
O2 Dy2 O7 76.98(9) 2_665 2_665 ?
O2 Dy2 O1 66.08(10) 2_665 2_665 ?
O2 Dy2 O5 144.32(10) 2_665 . ?
O6 Dy2 Dy1 33.53(6) . . ?
O6 Dy2 Dy1 145.69(7) . 2_665 ?
O6 Dy2 Dy2 86.54(7) . 2_665 ?
O6 Dy2 Cl2 143.48(7) . 2_665 ?
O6 Dy2 Cl3 87.20(8) . . ?
O6 Dy2 O7 68.85(9) . 2_665 ?
O6 Dy2 O2 143.95(9) . 2_665 ?
O6 Dy2 O1 92.39(10) . 2_665 ?
O6 Dy2 O5 64.58(10) . . ?
O1 Dy2 Dy1 105.95(7) 2_665 2_665 ?
O1 Dy2 Dy1 85.89(7) 2_665 . ?
O1 Dy2 Dy2 100.67(7) 2_665 2_665 ?
O1 Dy2 Cl2 117.23(8) 2_665 2_665 ?
O1 Dy2 Cl3 77.06(7) 2_665 . ?
O1 Dy2 O5 148.80(10) 2_665 . ?
O5 Dy2 Dy1 85.06(7) . . ?
O5 Dy2 Dy1 104.70(8) . 2_665 ?
O5 Dy2 Dy2 98.69(7) . 2_665 ?
O5 Dy2 Cl2 79.63(8) . 2_665 ?
O5 Dy2 Cl3 80.87(8) . . ?
Dy1 Cl2 Dy2 80.43(3) . 2_665 ?
Dy1 O7 Dy2 107.75(10) 2_665 2_665 ?
Dy1 O7 H7 112.6 2_665 . ?
Dy2 O7 Dy1 100.72(10) . 2_665 ?
Dy2 O7 Dy2 110.01(11) . 2_665 ?
Dy2 O7 H7 112.6 2_665 . ?
Dy2 O7 H7 112.6 . . ?
Dy2 O2 Dy1 100.28(10) 2_665 . ?
C7 O2 Dy1 138.0(3) . . ?
C7 O2 Dy2 121.7(3) . 2_665 ?
Dy1 O6 Dy2 112.82(11) . . ?
C29 O6 Dy1 126.5(2) . . ?
C29 O6 Dy2 115.9(2) . . ?
C2 O1 Dy2 118.6(3) . 2_665 ?
C2 O1 C1 117.4(3) . . ?
C1 O1 Dy2 123.8(3) . 2_665 ?
C28 O5 Dy2 110.1(3) . . ?
C28 O5 C30 117.1(4) . . ?
C30 O5 Dy2 131.5(3) . . ?
Dy1 N1 H1 107.4 . . ?
C8 N1 Dy1 112.4(2) . . ?
C8 N1 H1 107.4 . . ?
C9 N1 Dy1 107.8(2) . . ?
C9 N1 H1 107.4 . . ?
C9 N1 C8 114.0(3) . . ?
Dy1 N3 H3 104.3 . . ?
C15 N3 Dy1 113.7(3) . . ?
C15 N3 H3 104.3 . . ?
C15 N3 C23 113.1(3) . . ?
C23 N3 Dy1 115.4(3) . . ?
C23 N3 H3 104.3 . . ?
C10 N2 Dy1 116.5(3) . . ?
C14 N2 Dy1 125.4(3) . . ?
C14 N2 C10 118.2(4) . . ?
O2 C7 C2 119.3(4) . . ?
O2 C7 C6 122.5(4) . . ?
C2 C7 C6 118.3(4) . . ?
O6 C29 C28 118.4(4) . . ?
O6 C29 C24 121.6(4) . . ?
C24 C29 C28 120.1(4) . . ?
N1 C8 H8A 108.9 . . ?
N1 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
C6 C8 N1 113.3(4) . . ?
C6 C8 H8A 108.9 . . ?
C6 C8 H8B 108.9 . . ?
C21 O4 H4 109.5 . . ?
O1 C2 C7 114.3(4) . . ?
C3 C2 O1 123.0(4) . . ?
C3 C2 C7 122.7(4) . . ?
O5 C28 C29 113.8(4) . . ?
C27 C28 O5 125.0(5) . . ?
C27 C28 C29 121.1(5) . . ?
C29 C24 C23 119.0(4) . . ?
C29 C24 C25 119.1(5) . . ?
C25 C24 C23 121.9(5) . . ?
N1 C9 H9 109.8 . . ?
N1 C9 C15 110.0(3) . . ?
N1 C9 C10 107.7(3) . . ?
C15 C9 H9 109.8 . . ?
C10 C9 H9 109.8 . . ?
C10 C9 C15 109.7(4) . . ?
N3 C15 C9 109.4(3) . . ?
N3 C15 H15 106.9 . . ?
N3 C15 C16 115.9(4) . . ?
C9 C15 H15 106.9 . . ?
C9 C15 C16 110.4(4) . . ?
C16 C15 H15 106.9 . . ?
N2 C10 C9 115.0(4) . . ?
N2 C10 C11 121.8(4) . . ?
C11 C10 C9 123.1(4) . . ?
C20 O3 C22 118.9(5) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C7 C6 C8 122.3(4) . . ?
C5 C6 C7 118.1(5) . . ?
C5 C6 C8 119.6(4) . . ?
N3 C23 H23A 109.4 . . ?
N3 C23 H23B 109.4 . . ?
C24 C23 N3 111.1(4) . . ?
C24 C23 H23A 109.4 . . ?
C24 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C17 C16 C15 124.6(4) . . ?
C21 C16 C15 117.2(4) . . ?
C21 C16 C17 118.0(5) . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C18 120.6(5) . . ?
C18 C17 H17 119.7 . . ?
N2 C14 H14 118.8 . . ?
N2 C14 C13 122.4(5) . . ?
C13 C14 H14 118.8 . . ?
C28 C27 H27 121.0 . . ?
C28 C27 C26 118.0(5) . . ?
C26 C27 H27 121.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 119.9(5) . . ?
C26 C25 H25 120.0 . . ?
O4 C21 C16 118.7(5) . . ?
O4 C21 C20 119.9(5) . . ?
C16 C21 C20 121.3(5) . . ?
C10 C11 H11 120.2 . . ?
C10 C11 C12 119.7(5) . . ?
C12 C11 H11 120.2 . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.3(6) . . ?
C19 C18 H18 119.9 . . ?
C11 C12 H12 121.0 . . ?
C13 C12 C11 118.0(5) . . ?
C13 C12 H12 121.0 . . ?
C27 C26 H26 119.1 . . ?
C25 C26 C27 121.7(5) . . ?
C25 C26 H26 119.1 . . ?
O5 C30 H30A 109.5 . . ?
O5 C30 H30B 109.5 . . ?
O5 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.4(6) . . ?
C20 C19 H19 119.8 . . ?
C2 C3 H3A 120.8 . . ?
C4 C3 C2 118.5(5) . . ?
C4 C3 H3A 120.8 . . ?
C14 C13 C12 119.9(5) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
O3 C20 C21 114.8(5) . . ?
C19 C20 O3 125.9(5) . . ?
C19 C20 C21 119.3(5) . . ?
C6 C5 H5 119.2 . . ?
C4 C5 C6 121.7(5) . . ?
C4 C5 H5 119.2 . . ?
C3 C4 C5 120.8(5) . . ?
C3 C4 H4A 119.6 . . ?
C5 C4 H4A 119.6 . . ?
O3 C22 H22A 109.5 . . ?
O3 C22 H22B 109.5 . . ?
O3 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O2 C7 C2 -180.0(3) . . . . ?
Dy1 O2 C7 C6 0.8(7) . . . . ?
Dy1 O6 C29 C28 120.0(4) . . . . ?
Dy1 O6 C29 C24 -60.6(5) . . . . ?
Dy1 N1 C8 C6 -77.2(4) . . . . ?
Dy1 N1 C9 C15 -61.0(3) . . . . ?
Dy1 N1 C9 C10 58.5(3) . . . . ?
Dy1 N3 C15 C9 -23.2(4) . . . . ?
Dy1 N3 C15 C16 -148.7(3) . . . . ?
Dy1 N3 C23 C24 -65.0(4) . . . . ?
Dy1 N2 C10 C9 1.9(5) . . . . ?
Dy1 N2 C10 C11 179.0(4) . . . . ?
Dy1 N2 C14 C13 -179.1(4) . . . . ?
Dy2 O2 C7 C2 0.5(5) 2_665 . . . ?
Dy2 O2 C7 C6 -178.7(3) 2_665 . . . ?
Dy2 O6 C29 C28 -33.5(5) . . . . ?
Dy2 O6 C29 C24 145.8(3) . . . . ?
Dy2 O1 C2 C7 2.3(5) 2_665 . . . ?
Dy2 O1 C2 C3 -178.4(4) 2_665 . . . ?
Dy2 O5 C28 C29 29.3(4) . . . . ?
Dy2 O5 C28 C27 -150.4(4) . . . . ?
O2 C7 C2 O1 -1.8(6) . . . . ?
O2 C7 C2 C3 178.9(4) . . . . ?
O2 C7 C6 C8 0.4(7) . . . . ?
O2 C7 C6 C5 -179.4(4) . . . . ?
O6 C29 C28 O5 -0.3(6) . . . . ?
O6 C29 C28 C27 179.4(4) . . . . ?
O6 C29 C24 C23 1.9(6) . . . . ?
O6 C29 C24 C25 -178.9(4) . . . . ?
O1 C2 C3 C4 -178.0(5) . . . . ?
O5 C28 C27 C26 178.6(5) . . . . ?
N1 C8 C6 C7 41.8(6) . . . . ?
N1 C8 C6 C5 -138.4(5) . . . . ?
N1 C9 C15 N3 56.4(4) . . . . ?
N1 C9 C15 C16 -175.0(3) . . . . ?
N1 C9 C10 N2 -40.0(5) . . . . ?
N1 C9 C10 C11 142.9(5) . . . . ?
N3 C15 C16 C17 22.1(6) . . . . ?
N3 C15 C16 C21 -161.7(4) . . . . ?
N2 C10 C11 C12 0.5(8) . . . . ?
N2 C14 C13 C12 0.0(9) . . . . ?
C7 C2 C3 C4 1.2(8) . . . . ?
C7 C6 C5 C4 -0.2(8) . . . . ?
C29 C28 C27 C26 -1.1(7) . . . . ?
C29 C24 C23 N3 63.0(5) . . . . ?
C29 C24 C25 C26 0.1(7) . . . . ?
C8 N1 C9 C15 64.5(4) . . . . ?
C8 N1 C9 C10 -176.0(3) . . . . ?
C8 C6 C5 C4 180.0(5) . . . . ?
O4 C21 C20 O3 -2.5(7) . . . . ?
O4 C21 C20 C19 178.9(5) . . . . ?
C2 C7 C6 C8 -178.9(4) . . . . ?
C2 C7 C6 C5 1.4(7) . . . . ?
C2 C3 C4 C5 0.0(9) . . . . ?
C28 C29 C24 C23 -178.8(4) . . . . ?
C28 C29 C24 C25 0.4(7) . . . . ?
C28 C27 C26 C25 1.6(8) . . . . ?
C24 C29 C28 O5 -179.7(4) . . . . ?
C24 C29 C28 C27 0.1(7) . . . . ?
C24 C25 C26 C27 -1.1(8) . . . . ?
C9 N1 C8 C6 159.7(4) . . . . ?
C9 C15 C16 C17 -102.9(5) . . . . ?
C9 C15 C16 C21 73.3(5) . . . . ?
C9 C10 C11 C12 177.3(5) . . . . ?
C15 N3 C23 C24 68.3(5) . . . . ?
C15 C9 C10 N2 79.6(5) . . . . ?
C15 C9 C10 C11 -97.4(5) . . . . ?
C15 C16 C17 C18 177.3(4) . . . . ?
C15 C16 C21 O4 3.1(7) . . . . ?
C15 C16 C21 C20 -174.2(4) . . . . ?
C10 N2 C14 C13 -0.5(8) . . . . ?
C10 C9 C15 N3 -61.9(5) . . . . ?
C10 C9 C15 C16 66.7(4) . . . . ?
C10 C11 C12 C13 -0.9(8) . . . . ?
C1 O1 C2 C7 -172.5(4) . . . . ?
C1 O1 C2 C3 6.8(6) . . . . ?
C6 C7 C2 O1 177.4(4) . . . . ?
C6 C7 C2 C3 -1.9(7) . . . . ?
C6 C5 C4 C3 -0.5(10) . . . . ?
C23 N3 C15 C9 -157.4(4) . . . . ?
C23 N3 C15 C16 77.1(5) . . . . ?
C23 C24 C25 C26 179.3(5) . . . . ?
C16 C17 C18 C19 -2.9(8) . . . . ?
C16 C21 C20 O3 174.8(4) . . . . ?
C16 C21 C20 C19 -3.8(8) . . . . ?
C17 C16 C21 O4 179.6(5) . . . . ?
C17 C16 C21 C20 2.3(7) . . . . ?
C17 C18 C19 C20 1.4(8) . . . . ?
C14 N2 C10 C9 -176.8(4) . . . . ?
C14 N2 C10 C11 0.2(7) . . . . ?
C25 C24 C23 N3 -116.2(5) . . . . ?
C21 C16 C17 C18 1.1(7) . . . . ?
C11 C12 C13 C14 0.7(9) . . . . ?
C18 C19 C20 O3 -176.5(5) . . . . ?
C18 C19 C20 C21 1.9(8) . . . . ?
C30 O5 C28 C29 -162.4(4) . . . . ?
C30 O5 C28 C27 17.8(7) . . . . ?
C22 O3 C20 C21 165.8(5) . . . . ?
C22 O3 C20 C19 -15.7(8) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 70 electrons were 
found in a volume of 306Å³ in 1 void per unit cell. 
This is consistent with the presence of 
2[CH3OH] per Asymmetric Unit 
which account for 72 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.500 309.2 67.5 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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_lwq-12_auto
_database_code_depnum_ccdc_archive 'CCDC 2204296'
loop_
_audit_author_name
_audit_author_address
'Wen-qiang Li Wen-qiang Li'
;Guangxi normal university
China
;
_audit_update_record             
;
2022-11-15 deposited with the CCDC.	2022-12-19 downloaded from the CCDC.
;
_audit_creation_date             2022-08-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C76 H84 Dy6 N6 O32'
_chemical_formula_sum            'C82 H84 Dy6 N6 O32'
_chemical_formula_weight         2652.64
_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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   22.6360(3)
_cell_length_b                   16.7245(2)
_cell_length_c                   23.9473(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9065.9(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7957
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      3.352
_shelx_estimated_absorpt_T_max   0.408
_shelx_estimated_absorpt_T_min   0.370
_exptl_absorpt_coefficient_mu    4.966
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.943
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5128
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   0.355
_exptl_transmission_factor_min   0.301
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_unetI/netI     0.0263
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33738
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.352
_diffrn_ambient_temperature      293.00
_diffrn_detector                 'Image Plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            'Rigaku IP'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDER IP'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6722
_reflns_number_total             7957
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.148
_refine_diff_density_min         -1.395
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     576
_refine_ls_number_reflns         7957
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0382
_refine_ls_restrained_S_all      1.128
_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)+(0.0305P)²+73.5618P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0887
_refine_ls_wR_factor_ref         0.0967
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H7 of O7, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H8 of O8
2. Restrained distances
 C36-C35
 1.5 with sigma of 0.001
 C33-C34
 1.5 with sigma of 0.001
 H13_$1-H33B
 2.2 with sigma of 0.001
 H35A-H11_$2
 2.2 with sigma of 0.001
 H35C-H27_$3
 2.5 with sigma of 0.001
 H1-H2
 2 with sigma of 0.001
3. Rigid bond restraints
 C36, C35
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C34, C33
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4.a Ternary CH refined with riding coordinates:
 O8(H8), O7(H7), N1(H1), N3(H3), C9(H9), C15(H15)
4.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C23(H23A,H23B)
4.c Aromatic/amide H refined with riding coordinates:
 N2(H2), C12(H12), C11(H11), C19(H19), C25(H25), C27(H27), C17(H17), C13(H13),
 C18(H18), C26(H26), C5(H5), C14(H14), C3(H3A), C4(H4)
4.d Idealised Me refined as rotating group:
 C33(H33A,H33B,H33C), C35(H35A,H35B,H35C), C31(H31A,H31B,H31C), C22(H22A,H22B,
 H22C), C30(H30A,H30B,H30C), C1(H1A,H1B,H1C), C37(H37A,H37B,H37C), C39(H39A,
 H39B,H39C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy01 Dy 0.59795(2) 0.37238(2) 0.53184(2) 0.02808(10) Uani 1 1 d . . . . .
Dy02 Dy 0.46430(2) 0.41782(2) 0.46389(2) 0.02846(10) Uani 1 1 d . . . . .
Dy03 Dy 0.60165(2) 0.26590(2) 0.39467(2) 0.03496(11) Uani 1 1 d . . . . .
O8 O 0.5562(2) 0.4734(3) 0.47822(18) 0.0276(10) Uani 1 1 d . . . . .
H8 H 0.578019 0.486610 0.444064 0.041 Uiso 1 1 calc R U . . .
O6 O 0.5013(2) 0.3902(3) 0.55585(19) 0.0324(11) Uani 1 1 d . . . . .
O4 O 0.6092(2) 0.4990(3) 0.57492(19) 0.0310(11) Uani 1 1 d . . . . .
O7 O 0.5311(2) 0.3085(3) 0.4601(2) 0.0328(11) Uani 1 1 d . . . . .
H7 H 0.512214 0.261418 0.476744 0.039 Uiso 1 1 calc R U . . .
O2 O 0.6484(2) 0.3585(3) 0.45008(19) 0.0322(11) Uani 1 1 d . . . . .
O9 O 0.4991(2) 0.4320(3) 0.3732(2) 0.0408(13) Uani 1 1 d . . . . .
O5 O 0.3951(2) 0.3432(4) 0.5263(2) 0.0433(13) Uani 1 1 d . . . . .
O15 O 0.6179(3) 0.2361(3) 0.5442(2) 0.0471(14) Uani 1 1 d . . . . .
O3 O 0.6076(2) 0.6516(3) 0.5953(2) 0.0399(13) Uani 1 1 d . . . . .
O16 O 0.6174(3) 0.1723(3) 0.4626(2) 0.0557(17) Uani 1 1 d . . . . .
O10 O 0.5478(3) 0.3360(4) 0.3308(2) 0.0547(16) Uani 1 1 d . . . . .
N1 N 0.7025(2) 0.3781(4) 0.5629(2) 0.0370(15) Uani 1 1 d . . . . .
H1 H 0.713412 0.434759 0.563718 0.044 Uiso 1 1 calc DR U . . .
O13 O 0.6739(3) 0.3056(4) 0.3250(3) 0.0618(17) Uani 1 1 d . . . . .
O1 O 0.6431(3) 0.4724(4) 0.3746(3) 0.0581(16) Uani 1 1 d . . . . .
O14 O 0.7079(3) 0.2248(4) 0.3859(3) 0.0635(18) Uani 1 1 d . . . . .
N3 N 0.6019(3) 0.3458(4) 0.6331(2) 0.0337(14) Uani 1 1 d . . . . .
H3 H 0.604803 0.287631 0.637079 0.040 Uiso 1 1 calc R U . . .
O11 O 0.5238(3) 0.1675(4) 0.3736(3) 0.0662(19) Uani 1 1 d . . . . .
C36 C 0.7113(3) 0.2584(6) 0.3451(3) 0.051(2) Uani 1 1 d D U . . .
C29 C 0.4710(3) 0.3456(4) 0.5933(3) 0.0328(16) Uani 1 1 d . . . . .
O12 O 0.6032(3) 0.1589(5) 0.3254(3) 0.073(2) Uani 1 1 d . . . . .
C8 C 0.7445(3) 0.3381(5) 0.5226(3) 0.043(2) Uani 1 1 d . . . . .
H8A H 0.783124 0.331977 0.539683 0.052 Uiso 1 1 calc R U . . .
H8B H 0.729881 0.285569 0.512500 0.052 Uiso 1 1 calc R U . . .
N2 N 0.8058(2) 0.4181(4) 0.6237(3) 0.0530(19) Uani 1 1 d . . . . .
H2 H 0.796130 0.440476 0.592678 0.064 Uiso 1 1 calc DR U . . .
C34 C 0.5581(5) 0.1403(4) 0.3377(3) 0.056(2) Uani 1 1 d D U . . .
C32 C 0.5148(4) 0.3961(5) 0.3305(3) 0.0399(18) Uani 1 1 d . . . . .
C21 C 0.6335(3) 0.5217(4) 0.6236(3) 0.0342(17) Uani 1 1 d . . . . .
C24 C 0.4935(4) 0.3291(5) 0.6466(3) 0.0386(18) Uani 1 1 d . . . . .
C7 C 0.6983(4) 0.4014(5) 0.4396(3) 0.0373(18) Uani 1 1 d . . . . .
C28 C 0.4163(4) 0.3168(5) 0.5786(3) 0.0390(18) Uani 1 1 d . . . . .
C2 C 0.6974(4) 0.4605(5) 0.3976(3) 0.048(2) Uani 1 1 d . . . . .
C33 C 0.5268(4) 0.0723(5) 0.3097(4) 0.061(3) Uani 1 1 d D U . . .
H33A H 0.512271 0.089458 0.274049 0.092 Uiso 1 1 calc R U . . .
H33B H 0.494331 0.055206 0.332578 0.092 Uiso 1 1 calc DR U . . .
H33C H 0.553842 0.028668 0.304691 0.092 Uiso 1 1 calc R U . . .
C9 C 0.7095(3) 0.3478(5) 0.6210(3) 0.0388(18) Uani 1 1 d . . . . .
H9 H 0.706315 0.289356 0.619617 0.047 Uiso 1 1 calc R U . . .
C35 C 0.7668(3) 0.2794(5) 0.3145(4) 0.087(4) Uani 1 1 d D U . . .
H35A H 0.757372 0.293772 0.276721 0.131 Uiso 1 1 calc DR U . . .
H35B H 0.792997 0.234285 0.314476 0.131 Uiso 1 1 calc R U . . .
H35C H 0.785698 0.323787 0.332660 0.131 Uiso 1 1 calc DR U . . .
C20 C 0.6344(3) 0.6040(5) 0.6357(3) 0.0385(18) Uani 1 1 d . . . . .
C10 C 0.7684(4) 0.3679(5) 0.6483(3) 0.043(2) Uani 1 1 d . . . . .
C15 C 0.6575(3) 0.3791(4) 0.6565(3) 0.0361(17) Uani 1 1 d . . . . .
H15 H 0.662145 0.356505 0.694025 0.043 Uiso 1 1 calc R U . . .
C16 C 0.6569(3) 0.4691(5) 0.6629(3) 0.0408(19) Uani 1 1 d . . . . .
C12 C 0.8362(5) 0.3499(6) 0.7229(4) 0.063(3) Uani 1 1 d . . . . .
H12 H 0.845465 0.326549 0.757066 0.076 Uiso 1 1 calc R U . . .
C23 C 0.5490(4) 0.3703(5) 0.6652(3) 0.045(2) Uani 1 1 d . . . . .
H23A H 0.543733 0.427587 0.661525 0.053 Uiso 1 1 calc R U . . .
H23B H 0.555507 0.358651 0.704416 0.053 Uiso 1 1 calc R U . . .
C6 C 0.7488(4) 0.3903(5) 0.4718(3) 0.0425(19) Uani 1 1 d . . . . .
C11 C 0.7846(4) 0.3368(5) 0.6969(3) 0.056(3) Uani 1 1 d . . . . .
H11 H 0.757887 0.302864 0.714455 0.068 Uiso 1 1 calc R U . . .
C31 C 0.4934(5) 0.4243(6) 0.2746(3) 0.061(3) Uani 1 1 d . . . . .
H31A H 0.454306 0.445822 0.278306 0.092 Uiso 1 1 calc R U . . .
H31B H 0.492750 0.380106 0.249004 0.092 Uiso 1 1 calc R U . . .
H31C H 0.519500 0.464928 0.260704 0.092 Uiso 1 1 calc R U . . .
C22 C 0.6049(4) 0.7358(5) 0.6057(4) 0.055(2) Uani 1 1 d . . . . .
H22A H 0.586146 0.761906 0.574680 0.082 Uiso 1 1 calc R U . . .
H22B H 0.644153 0.756407 0.610237 0.082 Uiso 1 1 calc R U . . .
H22C H 0.582486 0.745462 0.639035 0.082 Uiso 1 1 calc R U . . .
C19 C 0.6585(4) 0.6339(5) 0.6844(4) 0.052(2) Uani 1 1 d . . . . .
H19 H 0.659481 0.688702 0.691029 0.063 Uiso 1 1 calc R U . . .
C25 C 0.4620(4) 0.2767(6) 0.6801(3) 0.053(2) Uani 1 1 d . . . . .
H25 H 0.477451 0.262476 0.714719 0.063 Uiso 1 1 calc R U . . .
C27 C 0.3865(4) 0.2680(6) 0.6110(4) 0.057(2) Uani 1 1 d . . . . .
H27 H 0.350259 0.248039 0.599148 0.068 Uiso 1 1 calc R U . . .
C38 C 0.6248(5) 0.1757(5) 0.5145(4) 0.056(2) Uani 1 1 d . . . . .
C17 C 0.6805(4) 0.5006(5) 0.7129(3) 0.052(2) Uani 1 1 d . . . . .
H17 H 0.695843 0.465784 0.739484 0.062 Uiso 1 1 calc R U . . .
C13 C 0.8746(5) 0.4005(6) 0.6954(4) 0.068(3) Uani 1 1 d . . . . .
H13 H 0.911735 0.411953 0.710063 0.082 Uiso 1 1 calc R U . . .
C30 C 0.3321(4) 0.3466(8) 0.5204(4) 0.069(3) Uani 1 1 d . . . . .
H30A H 0.315355 0.373845 0.551989 0.104 Uiso 1 1 calc R U . . .
H30B H 0.316478 0.293305 0.518514 0.104 Uiso 1 1 calc R U . . .
H30C H 0.322185 0.374980 0.486849 0.104 Uiso 1 1 calc R U . . .
C18 C 0.6814(5) 0.5806(6) 0.7233(4) 0.063(3) Uani 1 1 d . . . . .
H18 H 0.697349 0.599613 0.756484 0.075 Uiso 1 1 calc R U . . .
C26 C 0.4092(5) 0.2456(6) 0.6641(4) 0.063(3) Uani 1 1 d . . . . .
H26 H 0.388536 0.210662 0.687134 0.075 Uiso 1 1 calc R U . . .
C5 C 0.8002(5) 0.4315(7) 0.4588(4) 0.069(3) Uani 1 1 d . . . . .
H5 H 0.834575 0.422812 0.479123 0.083 Uiso 1 1 calc R U . . .
C14 C 0.8565(5) 0.4335(6) 0.6459(5) 0.065(3) Uani 1 1 d . . . . .
H14 H 0.881843 0.468538 0.627458 0.078 Uiso 1 1 calc R U . . .
C1 C 0.6409(5) 0.5232(7) 0.3268(4) 0.072(3) Uani 1 1 d . . . . .
H1A H 0.661804 0.498469 0.296446 0.108 Uiso 1 1 calc R U . . .
H1B H 0.659053 0.573589 0.335514 0.108 Uiso 1 1 calc R U . . .
H1C H 0.600532 0.531812 0.316166 0.108 Uiso 1 1 calc R U . . .
C3 C 0.7488(5) 0.5016(7) 0.3856(4) 0.070(3) Uani 1 1 d . . . . .
H3A H 0.749063 0.540083 0.357591 0.084 Uiso 1 1 calc R U . . .
C4 C 0.7996(5) 0.4858(8) 0.4149(5) 0.086(4) Uani 1 1 d . . . . .
H4 H 0.834318 0.512030 0.405256 0.103 Uiso 1 1 calc R U . . .
C37 C 0.6445(11) 0.1009(8) 0.5432(5) 0.180(11) Uani 1 1 d . . . . .
H37A H 0.636430 0.104974 0.582420 0.270 Uiso 1 1 calc R U . . .
H37B H 0.686200 0.093752 0.537577 0.270 Uiso 1 1 calc R U . . .
H37C H 0.623650 0.055949 0.527947 0.270 Uiso 1 1 calc R U . . .
N4 N 0.4719(6) 0.1589(8) 0.5096(6) 0.121(5) Uani 1 1 d . . . . .
C40 C 0.4726(7) 0.1134(11) 0.5451(8) 0.125(6) Uani 1 1 d . . . . .
C39 C 0.4698(11) 0.0579(16) 0.5938(11) 0.247(16) Uani 1 1 d . . . . .
H39A H 0.503493 0.066598 0.617413 0.371 Uiso 1 1 calc R U . . .
H39B H 0.469913 0.003669 0.580719 0.371 Uiso 1 1 calc R U . . .
H39C H 0.434309 0.067827 0.614559 0.371 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy01 Dy02 3.5181(5) . ?
Dy01 Dy02 3.7825(5) 5_666 ?
Dy01 Dy03 3.7375(5) . ?
Dy01 O8 2.323(4) . ?
Dy01 O6 2.282(5) . ?
Dy01 O4 2.369(5) . ?
Dy01 O7 2.526(5) . ?
Dy01 O2 2.279(5) . ?
Dy01 O15 2.342(5) . ?
Dy01 N1 2.483(5) . ?
Dy01 N3 2.466(6) . ?
Dy02 Dy02 3.6276(6) 5_666 ?
Dy02 O8 2.334(4) 5_666 ?
Dy02 O8 2.305(5) . ?
Dy02 O6 2.401(5) . ?
Dy02 O4 2.359(5) 5_666 ?
Dy02 O7 2.375(5) . ?
Dy02 O9 2.322(5) . ?
Dy02 O5 2.499(5) . ?
Dy02 O3 2.452(5) 5_666 ?
Dy03 O7 2.348(5) . ?
Dy03 O2 2.298(5) . ?
Dy03 O16 2.285(6) . ?
Dy03 O10 2.280(6) . ?
Dy03 O13 2.429(6) . ?
Dy03 O14 2.509(6) . ?
Dy03 O11 2.463(6) . ?
Dy03 C36 2.753(7) . ?
Dy03 O12 2.440(6) . ?
Dy03 C34 2.691(6) . ?
O8 H8 0.9800 . ?
O6 C29 1.353(8) . ?
O4 C21 1.343(8) . ?
O7 H7 0.9800 . ?
O2 C7 1.361(9) . ?
O9 C32 1.239(9) . ?
O5 C28 1.412(9) . ?
O5 C30 1.434(10) . ?
O15 C38 1.246(10) . ?
O3 C20 1.392(9) . ?
O3 C22 1.430(9) . ?
O16 C38 1.255(10) . ?
O10 C32 1.251(9) . ?
N1 H1 0.9800 . ?
N1 C8 1.510(9) . ?
N1 C9 1.490(9) . ?
O13 C36 1.254(10) . ?
O1 C2 1.362(11) . ?
O1 C1 1.427(10) . ?
O14 C36 1.130(10) . ?
N3 H3 0.9800 . ?
N3 C15 1.487(9) . ?
N3 C23 1.481(9) . ?
O11 C34 1.242(11) . ?
C36 C35 1.4978(10) . ?
C29 C24 1.402(10) . ?
C29 C28 1.375(11) . ?
O12 C34 1.108(10) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C6 1.501(11) . ?
N2 H2 0.8600 . ?
N2 C10 1.330(11) . ?
N2 C14 1.291(11) . ?
C34 C33 1.4978(10) . ?
C32 C31 1.500(11) . ?
C21 C20 1.407(10) . ?
C21 C16 1.394(10) . ?
C24 C23 1.500(12) . ?
C24 C25 1.387(11) . ?
C7 C2 1.411(11) . ?
C7 C6 1.390(11) . ?
C28 C27 1.312(11) . ?
C2 C3 1.383(13) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C9 H9 0.9800 . ?
C9 C10 1.522(11) . ?
C9 C15 1.545(10) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C20 C19 1.382(11) . ?
C10 C11 1.327(11) . ?
C15 H15 0.9800 . ?
C15 C16 1.513(11) . ?
C16 C17 1.413(11) . ?
C12 H12 0.9300 . ?
C12 C11 1.342(13) . ?
C12 C13 1.381(15) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C6 C5 1.388(13) . ?
C11 H11 0.9300 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C19 H19 0.9300 . ?
C19 C18 1.389(13) . ?
C25 H25 0.9300 . ?
C25 C26 1.359(13) . ?
C27 H27 0.9300 . ?
C27 C26 1.422(13) . ?
C38 C37 1.495(13) . ?
C17 H17 0.9300 . ?
C17 C18 1.360(12) . ?
C13 H13 0.9300 . ?
C13 C14 1.371(14) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C18 H18 0.9300 . ?
C26 H26 0.9300 . ?
C5 H5 0.9300 . ?
C5 C4 1.388(16) . ?
C14 H14 0.9300 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C3 H3A 0.9300 . ?
C3 C4 1.372(16) . ?
C4 H4 0.9300 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
N4 C40 1.140(19) . ?
C40 C39 1.49(2) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Dy02 Dy01 Dy02 59.457(10) . 5_666 ?
Dy02 Dy01 Dy03 73.482(10) . . ?
Dy03 Dy01 Dy02 118.303(11) . 5_666 ?
O8 Dy01 Dy02 40.33(11) . . ?
O8 Dy01 Dy02 35.78(11) . 5_666 ?
O8 Dy01 Dy03 82.52(11) . . ?
O8 Dy01 O4 68.53(15) . . ?
O8 Dy01 O7 71.86(16) . . ?
O8 Dy01 O15 148.89(18) . . ?
O8 Dy01 N1 121.67(19) . . ?
O8 Dy01 N3 133.56(17) . . ?
O6 Dy01 Dy02 60.96(12) . 5_666 ?
O6 Dy01 Dy02 42.59(12) . . ?
O6 Dy01 Dy03 107.78(12) . . ?
O6 Dy01 O8 69.78(16) . . ?
O6 Dy01 O4 82.88(17) . . ?
O6 Dy01 O7 69.66(16) . . ?
O6 Dy01 O15 106.3(2) . . ?
O6 Dy01 N1 146.48(18) . . ?
O6 Dy01 N3 79.08(18) . . ?
O4 Dy01 Dy02 36.77(11) . 5_666 ?
O4 Dy01 Dy02 95.76(11) . . ?
O4 Dy01 Dy03 143.73(12) . . ?
O4 Dy01 O7 137.60(15) . . ?
O4 Dy01 N1 74.54(18) . . ?
O4 Dy01 N3 74.28(18) . . ?
O7 Dy01 Dy02 100.83(11) . 5_666 ?
O7 Dy01 Dy02 42.44(11) . . ?
O7 Dy01 Dy03 38.21(11) . . ?
O2 Dy01 Dy02 93.19(12) . . ?
O2 Dy01 Dy02 107.74(12) . 5_666 ?
O2 Dy01 Dy03 35.41(12) . . ?
O2 Dy01 O8 78.63(16) . . ?
O2 Dy01 O6 135.28(17) . . ?
O2 Dy01 O4 114.31(17) . . ?
O2 Dy01 O7 70.90(16) . . ?
O2 Dy01 O15 84.97(18) . . ?
O2 Dy01 N1 77.48(18) . . ?
O2 Dy01 N3 143.91(18) . . ?
O15 Dy01 Dy02 166.20(15) . 5_666 ?
O15 Dy01 Dy02 115.77(15) . . ?
O15 Dy01 Dy03 69.09(13) . . ?
O15 Dy01 O4 142.56(18) . . ?
O15 Dy01 O7 77.87(18) . . ?
O15 Dy01 N1 79.3(2) . . ?
O15 Dy01 N3 72.15(19) . . ?
N1 Dy01 Dy02 161.80(15) . . ?
N1 Dy01 Dy02 108.16(14) . 5_666 ?
N1 Dy01 Dy03 105.06(13) . . ?
N1 Dy01 O7 142.24(17) . . ?
N3 Dy01 Dy02 98.86(14) . 5_666 ?
N3 Dy01 Dy02 121.64(14) . . ?
N3 Dy01 Dy03 141.01(14) . . ?
N3 Dy01 O7 127.85(18) . . ?
N3 Dy01 N1 71.2(2) . . ?
Dy01 Dy02 Dy01 120.541(10) . 5_666 ?
Dy01 Dy02 Dy02 63.900(11) . 5_666 ?
Dy02 Dy02 Dy01 56.641(10) 5_666 5_666 ?
O8 Dy02 Dy01 40.71(11) . . ?
O8 Dy02 Dy01 87.60(11) . 5_666 ?
O8 Dy02 Dy01 93.72(11) 5_666 . ?
O8 Dy02 Dy01 35.58(11) 5_666 5_666 ?
O8 Dy02 Dy02 38.84(11) . 5_666 ?
O8 Dy02 Dy02 38.28(11) 5_666 5_666 ?
O8 Dy02 O8 77.12(17) . 5_666 ?
O8 Dy02 O6 70.99(16) 5_666 . ?
O8 Dy02 O6 68.05(16) . . ?
O8 Dy02 O4 117.20(16) . 5_666 ?
O8 Dy02 O4 68.53(15) 5_666 5_666 ?
O8 Dy02 O7 138.57(16) 5_666 . ?
O8 Dy02 O7 75.02(16) . . ?
O8 Dy02 O9 77.95(17) . . ?
O8 Dy02 O5 132.73(16) . . ?
O8 Dy02 O5 84.77(17) 5_666 . ?
O8 Dy02 O3 125.48(17) 5_666 5_666 ?
O8 Dy02 O3 151.25(17) . 5_666 ?
O6 Dy02 Dy01 106.46(11) . 5_666 ?
O6 Dy02 Dy01 40.04(12) . . ?
O6 Dy02 Dy02 63.44(12) . 5_666 ?
O6 Dy02 O5 64.80(17) . . ?
O6 Dy02 O3 132.15(17) . 5_666 ?
O4 Dy02 Dy01 36.96(11) 5_666 5_666 ?
O4 Dy02 Dy01 156.31(12) 5_666 . ?
O4 Dy02 Dy02 93.15(11) 5_666 5_666 ?
O4 Dy02 O6 136.10(16) 5_666 . ?
O4 Dy02 O7 152.63(16) 5_666 . ?
O4 Dy02 O5 95.05(18) 5_666 . ?
O4 Dy02 O3 65.38(16) 5_666 5_666 ?
O7 Dy02 Dy01 45.87(12) . . ?
O7 Dy02 Dy01 162.29(12) . 5_666 ?
O7 Dy02 Dy02 108.55(12) . 5_666 ?
O7 Dy02 O6 70.42(16) . . ?
O7 Dy02 O5 92.16(18) . . ?
O7 Dy02 O3 92.06(17) . 5_666 ?
O9 Dy02 Dy01 99.35(13) . . ?
O9 Dy02 Dy01 93.26(13) . 5_666 ?
O9 Dy02 Dy02 102.53(14) . 5_666 ?
O9 Dy02 O8 122.91(18) . 5_666 ?
O9 Dy02 O6 139.37(18) . . ?
O9 Dy02 O4 79.09(17) . 5_666 ?
O9 Dy02 O7 80.04(17) . . ?
O9 Dy02 O5 145.40(18) . . ?
O9 Dy02 O3 74.53(19) . 5_666 ?
O5 Dy02 Dy01 98.91(13) . . ?
O5 Dy02 Dy01 102.31(13) . 5_666 ?
O5 Dy02 Dy02 111.87(13) . 5_666 ?
O3 Dy02 Dy01 137.41(12) 5_666 . ?
O3 Dy02 Dy01 101.99(12) 5_666 5_666 ?
O3 Dy02 Dy02 158.53(12) 5_666 5_666 ?
O3 Dy02 O5 72.12(18) 5_666 . ?
O7 Dy03 Dy01 41.72(12) . . ?
O7 Dy03 O13 146.5(2) . . ?
O7 Dy03 O14 142.21(19) . . ?
O7 Dy03 O11 81.5(2) . . ?
O7 Dy03 C36 156.1(2) . . ?
O7 Dy03 O12 133.3(2) . . ?
O7 Dy03 C34 109.0(3) . . ?
O2 Dy03 Dy01 35.07(12) . . ?
O2 Dy03 O7 73.95(17) . . ?
O2 Dy03 O13 84.4(2) . . ?
O2 Dy03 O14 78.0(2) . . ?
O2 Dy03 O11 153.9(2) . . ?
O2 Dy03 C36 82.2(2) . . ?
O2 Dy03 O12 151.7(2) . . ?
O2 Dy03 C34 170.9(2) . . ?
O16 Dy03 Dy01 72.79(14) . . ?
O16 Dy03 O7 80.70(19) . . ?
O16 Dy03 O2 88.8(2) . . ?
O16 Dy03 O13 124.8(2) . . ?
O16 Dy03 O14 73.9(2) . . ?
O16 Dy03 O11 78.4(2) . . ?
O16 Dy03 C36 97.7(3) . . ?
O16 Dy03 O12 88.8(2) . . ?
O16 Dy03 C34 83.3(2) . . ?
O10 Dy03 Dy01 109.40(14) . . ?
O10 Dy03 O7 85.86(19) . . ?
O10 Dy03 O2 106.7(2) . . ?
O10 Dy03 O16 155.9(2) . . ?
O10 Dy03 O13 76.1(2) . . ?
O10 Dy03 O14 126.7(2) . . ?
O10 Dy03 O11 79.8(2) . . ?
O10 Dy03 C36 102.5(2) . . ?
O10 Dy03 O12 86.0(2) . . ?
O10 Dy03 C34 82.3(2) . . ?
O13 Dy03 Dy01 119.27(16) . . ?
O13 Dy03 O14 51.1(2) . . ?
O13 Dy03 O11 121.5(2) . . ?
O13 Dy03 C36 27.1(2) . . ?
O13 Dy03 O12 74.0(2) . . ?
O13 Dy03 C34 96.4(3) . . ?
O14 Dy03 Dy01 103.02(15) . . ?
O14 Dy03 C36 24.2(2) . . ?
O14 Dy03 C34 95.5(3) . . ?
O11 Dy03 Dy01 118.85(16) . . ?
O11 Dy03 O14 119.0(2) . . ?
O11 Dy03 C36 121.7(2) . . ?
O11 Dy03 C34 27.4(3) . . ?
C36 Dy03 Dy01 114.87(17) . . ?
O12 Dy03 Dy01 161.3(2) . . ?
O12 Dy03 O14 74.2(2) . . ?
O12 Dy03 O11 51.8(2) . . ?
O12 Dy03 C36 70.2(2) . . ?
O12 Dy03 C34 24.3(2) . . ?
C34 Dy03 Dy01 144.0(2) . . ?
C34 Dy03 C36 94.4(3) . . ?
Dy01 O8 Dy02 108.64(17) . 5_666 ?
Dy01 O8 H8 114.9 . . ?
Dy02 O8 Dy01 98.96(17) . . ?
Dy02 O8 Dy02 102.88(17) . 5_666 ?
Dy02 O8 H8 114.9 . . ?
Dy02 O8 H8 114.9 5_666 . ?
Dy01 O6 Dy02 97.37(17) . . ?
C29 O6 Dy01 125.5(4) . . ?
C29 O6 Dy02 122.5(4) . . ?
Dy02 O4 Dy01 106.27(17) 5_666 . ?
C21 O4 Dy01 132.4(4) . . ?
C21 O4 Dy02 117.6(4) . 5_666 ?
Dy01 O7 H7 109.0 . . ?
Dy02 O7 Dy01 91.69(15) . . ?
Dy02 O7 H7 109.0 . . ?
Dy03 O7 Dy01 100.07(18) . . ?
Dy03 O7 Dy02 133.8(2) . . ?
Dy03 O7 H7 109.0 . . ?
Dy01 O2 Dy03 109.5(2) . . ?
C7 O2 Dy01 121.3(4) . . ?
C7 O2 Dy03 129.1(4) . . ?
C32 O9 Dy02 145.1(5) . . ?
C28 O5 Dy02 118.3(4) . . ?
C28 O5 C30 115.9(7) . . ?
C30 O5 Dy02 123.0(6) . . ?
C38 O15 Dy01 137.9(5) . . ?
C20 O3 Dy02 114.8(4) . 5_666 ?
C20 O3 C22 117.5(6) . . ?
C22 O3 Dy02 122.5(5) . 5_666 ?
C38 O16 Dy03 134.0(5) . . ?
C32 O10 Dy03 137.4(5) . . ?
Dy01 N1 H1 106.4 . . ?
C8 N1 Dy01 113.1(4) . . ?
C8 N1 H1 106.4 . . ?
C9 N1 Dy01 111.6(4) . . ?
C9 N1 H1 106.4 . . ?
C9 N1 C8 112.3(5) . . ?
C36 O13 Dy03 91.0(5) . . ?
C2 O1 C1 116.2(7) . . ?
C36 O14 Dy03 90.1(5) . . ?
Dy01 N3 H3 106.1 . . ?
C15 N3 Dy01 109.5(4) . . ?
C15 N3 H3 106.1 . . ?
C23 N3 Dy01 115.6(4) . . ?
C23 N3 H3 106.1 . . ?
C23 N3 C15 112.6(6) . . ?
C34 O11 Dy03 86.5(5) . . ?
O13 C36 Dy03 61.9(4) . . ?
O13 C36 C35 103.3(7) . . ?
O14 C36 Dy03 65.7(5) . . ?
O14 C36 O13 126.9(7) . . ?
O14 C36 C35 126.7(8) . . ?
C35 C36 Dy03 163.1(6) . . ?
O6 C29 C24 121.8(7) . . ?
O6 C29 C28 118.7(7) . . ?
C28 C29 C24 119.4(7) . . ?
C34 O12 Dy03 90.7(5) . . ?
N1 C8 H8A 110.2 . . ?
N1 C8 H8B 110.2 . . ?
H8A C8 H8B 108.5 . . ?
C6 C8 N1 107.5(6) . . ?
C6 C8 H8A 110.2 . . ?
C6 C8 H8B 110.2 . . ?
C10 N2 H2 119.6 . . ?
C14 N2 H2 119.6 . . ?
C14 N2 C10 120.7(8) . . ?
O11 C34 Dy03 66.0(4) . . ?
O11 C34 C33 107.0(8) . . ?
O12 C34 Dy03 65.0(5) . . ?
O12 C34 O11 131.0(7) . . ?
O12 C34 C33 122.0(9) . . ?
C33 C34 Dy03 173.0(7) . . ?
O9 C32 O10 123.7(7) . . ?
O9 C32 C31 119.5(7) . . ?
O10 C32 C31 116.8(7) . . ?
O4 C21 C20 117.5(6) . . ?
O4 C21 C16 124.3(7) . . ?
C16 C21 C20 118.1(7) . . ?
C29 C24 C23 119.0(7) . . ?
C25 C24 C29 117.7(8) . . ?
C25 C24 C23 123.2(7) . . ?
O2 C7 C2 119.2(7) . . ?
O2 C7 C6 120.6(7) . . ?
C6 C7 C2 120.1(8) . . ?
C29 C28 O5 115.0(6) . . ?
C27 C28 O5 123.0(8) . . ?
C27 C28 C29 122.0(8) . . ?
O1 C2 C7 113.8(8) . . ?
O1 C2 C3 127.2(9) . . ?
C3 C2 C7 118.9(9) . . ?
C34 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
C34 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N1 C9 H9 107.5 . . ?
N1 C9 C10 114.8(7) . . ?
N1 C9 C15 108.5(6) . . ?
C10 C9 H9 107.5 . . ?
C10 C9 C15 110.8(6) . . ?
C15 C9 H9 107.5 . . ?
C36 C35 H35A 109.5 . . ?
C36 C35 H35B 109.5 . . ?
C36 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
O3 C20 C21 114.2(6) . . ?
C19 C20 O3 123.4(7) . . ?
C19 C20 C21 122.4(7) . . ?
N2 C10 C9 120.5(7) . . ?
C11 C10 N2 117.4(8) . . ?
C11 C10 C9 122.2(9) . . ?
N3 C15 C9 108.1(6) . . ?
N3 C15 H15 107.0 . . ?
N3 C15 C16 113.8(6) . . ?
C9 C15 H15 107.0 . . ?
C16 C15 C9 113.6(7) . . ?
C16 C15 H15 107.0 . . ?
C21 C16 C15 124.2(7) . . ?
C21 C16 C17 118.8(7) . . ?
C17 C16 C15 117.0(7) . . ?
C11 C12 H12 122.4 . . ?
C11 C12 C13 115.2(9) . . ?
C13 C12 H12 122.4 . . ?
N3 C23 C24 113.3(6) . . ?
N3 C23 H23A 108.9 . . ?
N3 C23 H23B 108.9 . . ?
C24 C23 H23A 108.9 . . ?
C24 C23 H23B 108.9 . . ?
H23A C23 H23B 107.7 . . ?
C7 C6 C8 118.3(7) . . ?
C5 C6 C8 121.6(8) . . ?
C5 C6 C7 119.9(9) . . ?
C10 C11 C12 125.7(10) . . ?
C10 C11 H11 117.1 . . ?
C12 C11 H11 117.1 . . ?
C32 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
C32 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O3 C22 H22A 109.5 . . ?
O3 C22 H22B 109.5 . . ?
O3 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C19 H19 120.7 . . ?
C20 C19 C18 118.7(8) . . ?
C18 C19 H19 120.7 . . ?
C24 C25 H25 119.0 . . ?
C26 C25 C24 122.0(8) . . ?
C26 C25 H25 119.0 . . ?
C28 C27 H27 119.8 . . ?
C28 C27 C26 120.5(9) . . ?
C26 C27 H27 119.8 . . ?
O15 C38 O16 125.8(8) . . ?
O15 C38 C37 117.0(9) . . ?
O16 C38 C37 117.2(8) . . ?
C16 C17 H17 119.1 . . ?
C18 C17 C16 121.8(8) . . ?
C18 C17 H17 119.1 . . ?
C12 C13 H13 120.9 . . ?
C14 C13 C12 118.1(10) . . ?
C14 C13 H13 120.9 . . ?
O5 C30 H30A 109.5 . . ?
O5 C30 H30B 109.5 . . ?
O5 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C19 C18 H18 119.9 . . ?
C17 C18 C19 120.3(8) . . ?
C17 C18 H18 119.9 . . ?
C25 C26 C27 118.0(8) . . ?
C25 C26 H26 121.0 . . ?
C27 C26 H26 121.0 . . ?
C6 C5 H5 120.4 . . ?
C4 C5 C6 119.1(10) . . ?
C4 C5 H5 120.4 . . ?
N2 C14 C13 122.8(11) . . ?
N2 C14 H14 118.6 . . ?
C13 C14 H14 118.6 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C3 H3A 119.9 . . ?
C4 C3 C2 120.2(10) . . ?
C4 C3 H3A 119.9 . . ?
C5 C4 H4 119.3 . . ?
C3 C4 C5 121.4(10) . . ?
C3 C4 H4 119.3 . . ?
C38 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
C38 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N4 C40 C39 175(2) . . ?
C40 C39 H39A 109.5 . . ?
C40 C39 H39B 109.5 . . ?
C40 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy01 O6 C29 C24 49.4(9) . . . . ?
Dy01 O6 C29 C28 -131.7(6) . . . . ?
Dy01 O4 C21 C20 177.9(5) . . . . ?
Dy01 O4 C21 C16 -3.0(11) . . . . ?
Dy01 O2 C7 C2 -112.0(7) . . . . ?
Dy01 O2 C7 C6 64.6(8) . . . . ?
Dy01 O15 C38 O16 -6.2(18) . . . . ?
Dy01 O15 C38 C37 172.8(12) . . . . ?
Dy01 N1 C8 C6 71.5(7) . . . . ?
Dy01 N1 C9 C10 -165.5(5) . . . . ?
Dy01 N1 C9 C15 -40.9(7) . . . . ?
Dy01 N3 C15 C9 -51.6(6) . . . . ?
Dy01 N3 C15 C16 75.6(7) . . . . ?
Dy01 N3 C23 C24 60.3(8) . . . . ?
Dy02 O6 C29 C24 179.2(5) . . . . ?
Dy02 O6 C29 C28 -1.9(9) . . . . ?
Dy02 O4 C21 C20 -27.2(9) 5_666 . . . ?
Dy02 O4 C21 C16 151.9(6) 5_666 . . . ?
Dy02 O9 C32 O10 -44.2(14) . . . . ?
Dy02 O9 C32 C31 135.2(8) . . . . ?
Dy02 O5 C28 C29 9.4(8) . . . . ?
Dy02 O5 C28 C27 -170.4(7) . . . . ?
Dy02 O3 C20 C21 22.5(8) 5_666 . . . ?
Dy02 O3 C20 C19 -155.9(7) 5_666 . . . ?
Dy03 O2 C7 C2 67.9(9) . . . . ?
Dy03 O2 C7 C6 -115.4(7) . . . . ?
Dy03 O16 C38 O15 9.5(17) . . . . ?
Dy03 O16 C38 C37 -169.4(12) . . . . ?
Dy03 O10 C32 O9 -6.5(15) . . . . ?
Dy03 O10 C32 C31 174.1(7) . . . . ?
Dy03 O13 C36 O14 -10.4(11) . . . . ?
Dy03 O13 C36 C35 -171.3(5) . . . . ?
Dy03 O14 C36 O13 10.0(10) . . . . ?
Dy03 O14 C36 C35 166.7(9) . . . . ?
Dy03 O11 C34 O12 0.2(13) . . . . ?
Dy03 O11 C34 C33 -179.2(7) . . . . ?
Dy03 O12 C34 O11 -0.2(13) . . . . ?
Dy03 O12 C34 C33 179.1(8) . . . . ?
O6 C29 C24 C23 7.7(11) . . . . ?
O6 C29 C24 C25 -174.1(7) . . . . ?
O6 C29 C28 O5 -5.1(10) . . . . ?
O6 C29 C28 C27 174.6(8) . . . . ?
O4 C21 C20 O3 2.0(10) . . . . ?
O4 C21 C20 C19 -179.7(8) . . . . ?
O4 C21 C16 C15 -0.8(13) . . . . ?
O4 C21 C16 C17 -179.1(7) . . . . ?
O2 C7 C2 O1 5.1(11) . . . . ?
O2 C7 C2 C3 -177.3(8) . . . . ?
O2 C7 C6 C8 -7.9(11) . . . . ?
O2 C7 C6 C5 176.7(8) . . . . ?
O5 C28 C27 C26 -177.8(8) . . . . ?
O3 C20 C19 C18 176.6(9) . . . . ?
N1 C8 C6 C7 -64.1(9) . . . . ?
N1 C8 C6 C5 111.2(9) . . . . ?
N1 C9 C10 N2 8.8(10) . . . . ?
N1 C9 C10 C11 -171.1(7) . . . . ?
N1 C9 C15 N3 62.6(8) . . . . ?
N1 C9 C15 C16 -64.6(8) . . . . ?
O1 C2 C3 C4 176.1(10) . . . . ?
N3 C15 C16 C21 -41.3(11) . . . . ?
N3 C15 C16 C17 137.0(7) . . . . ?
C29 C24 C23 N3 -66.8(9) . . . . ?
C29 C24 C25 C26 -4.0(13) . . . . ?
C29 C28 C27 C26 2.5(14) . . . . ?
C8 N1 C9 C10 66.3(8) . . . . ?
C8 N1 C9 C15 -169.1(6) . . . . ?
C8 C6 C5 C4 -172.7(9) . . . . ?
N2 C10 C11 C12 -1.7(13) . . . . ?
C21 C20 C19 C18 -1.6(14) . . . . ?
C21 C16 C17 C18 -0.7(14) . . . . ?
C24 C29 C28 O5 173.9(6) . . . . ?
C24 C29 C28 C27 -6.4(12) . . . . ?
C24 C25 C26 C27 0.2(14) . . . . ?
C7 C2 C3 C4 -1.1(15) . . . . ?
C7 C6 C5 C4 2.5(15) . . . . ?
C28 C29 C24 C23 -171.3(7) . . . . ?
C28 C29 C24 C25 6.9(11) . . . . ?
C28 C27 C26 C25 0.7(15) . . . . ?
C2 C7 C6 C8 168.7(7) . . . . ?
C2 C7 C6 C5 -6.7(12) . . . . ?
C2 C3 C4 C5 -3.0(19) . . . . ?
C9 N1 C8 C6 -161.1(6) . . . . ?
C9 C10 C11 C12 178.2(8) . . . . ?
C9 C15 C16 C21 83.0(9) . . . . ?
C9 C15 C16 C17 -98.7(9) . . . . ?
C20 C21 C16 C15 178.2(7) . . . . ?
C20 C21 C16 C17 0.0(12) . . . . ?
C20 C19 C18 C17 0.8(16) . . . . ?
C10 N2 C14 C13 -0.6(14) . . . . ?
C10 C9 C15 N3 -170.4(6) . . . . ?
C10 C9 C15 C16 62.3(8) . . . . ?
C15 N3 C23 C24 -172.8(6) . . . . ?
C15 C9 C10 N2 -114.6(8) . . . . ?
C15 C9 C10 C11 65.5(10) . . . . ?
C15 C16 C17 C18 -179.1(9) . . . . ?
C16 C21 C20 O3 -177.2(7) . . . . ?
C16 C21 C20 C19 1.2(13) . . . . ?
C16 C17 C18 C19 0.3(16) . . . . ?
C12 C13 C14 N2 -1.3(15) . . . . ?
C23 N3 C15 C9 178.3(6) . . . . ?
C23 N3 C15 C16 -54.6(8) . . . . ?
C23 C24 C25 C26 174.2(8) . . . . ?
C6 C7 C2 O1 -171.6(7) . . . . ?
C6 C7 C2 C3 6.0(12) . . . . ?
C6 C5 C4 C3 2.4(18) . . . . ?
C11 C12 C13 C14 1.5(13) . . . . ?
C22 O3 C20 C21 177.7(7) . . . . ?
C22 O3 C20 C19 -0.6(12) . . . . ?
C25 C24 C23 N3 115.1(8) . . . . ?
C13 C12 C11 C10 0.0(14) . . . . ?
C30 O5 C28 C29 -152.4(8) . . . . ?
C30 O5 C28 C27 27.9(12) . . . . ?
C14 N2 C10 C9 -178.0(8) . . . . ?
C14 N2 C10 C11 2.0(12) . . . . ?
C1 O1 C2 C7 -171.6(8) . . . . ?
C1 O1 C2 C3 11.1(14) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 280 electrons were 
found in a volume of 1488Å³ in 1 void per unit cell.
 This is consistent with the presence of 
4[CH3OH] per Asymmetric Unit 
which account for 288 electrons per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.153 0.149 0.818 81.3 19.3 '1 CH3OH'
2 0.153 0.351 0.318 81.3 16.1 '1 CH3OH'
3 0.347 0.649 0.818 81.3 17.1 '1 CH3OH'
4 0.347 0.851 0.318 81.3 18.5 '1 CH3OH'
5 0.653 0.149 0.682 81.3 15.5 '1 CH3OH'
6 0.653 0.351 0.182 81.3 16.9 '1 CH3OH'
7 0.847 0.649 0.682 81.3 17.9 '1 CH3OH'
8 0.847 0.851 0.182 81.3 14.7 '1 CH3OH'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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_Dy2
_database_code_depnum_ccdc_archive 'CCDC 2202419'
loop_
_audit_author_name
_audit_author_address
'Wen-qiang Li Wen-qiang Li'
;Guangxi normal university
China
;
_audit_update_record             
;
2022-11-15 deposited with the CCDC.	2022-12-19 downloaded from the CCDC.
;
_audit_creation_date             2022-08-19
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C62 H60 Dy2 N6 O14'
_chemical_formula_sum            'C62 H60 Dy2 N6 O14'
_chemical_formula_weight         1442.19
_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                   14.1814(5)
_cell_length_b                   15.2007(7)
_cell_length_c                   17.7267(6)
_cell_angle_alpha                79.139(3)
_cell_angle_beta                 89.186(3)
_cell_angle_gamma                64.683(4)
_cell_volume                     3382.9(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8669
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.999
_cell_measurement_theta_min      3.388
_shelx_estimated_absorpt_T_max   0.701
_shelx_estimated_absorpt_T_min   0.649
_exptl_absorpt_coefficient_mu    2.254
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1444
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   0.682
_exptl_transmission_factor_min   0.629
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_av_unetI/netI     0.0572
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            42871
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.388
_diffrn_ambient_temperature      293.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'marXperts MX300 CCD Detector'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8669
_reflns_number_total             11868
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         3.081
_refine_diff_density_min         -1.409
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     764
_refine_ls_number_reflns         11868
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0738
_refine_ls_R_factor_gt           0.0471
_refine_ls_restrained_S_all      1.098
_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)+(0.0067P)²+16.3973P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0862
_refine_ls_wR_factor_ref         0.1062
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 H4-H41
 2.1 with sigma of 0.02
3.a Ternary CH refined with riding coordinates:
 N1(H1), N3(H3), N6(H6), N4(H4), C9(H9), C15(H15), C45(H45), C39(H39)
3.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C23(H23A,H23B), C38(H38A,H38B), C53(H53A,H53B)
3.c Aromatic/amide H refined with riding coordinates:
 N5(H5), C3(H3A), C4(H4A), C5(H5A), C11(H11), C12(H12), C13(H13), C14(H14),
 C17(H17), C18(H18), C19(H19), C25(H25), C26(H26), C27(H27), C49(H49), C48(H48),
  C47(H47), C41(H41), C42(H42), C43(H43), C44(H44), C33(H33), C34(H34),
 C35(H35), C55(H55), C56(H56), C57(H57)
3.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C22(H22A,H22B,H22C), C30(H30A,H30B,H30C), C52(H52A,H52B,
 H52C), C31(H31A,H31B,H31C), C60(H60A,H60B,H60C), C62(H62A,H62B,H62C)
;
_atom_sites_solution_hydrogens   geom
_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 0.67449(3) 0.87563(3) 0.25743(2) 0.04318(11) Uani 1 1 d . . . . .
Dy2 Dy 0.73644(3) 0.61082(2) 0.35554(2) 0.04077(10) Uani 1 1 d . . . . .
O1 O 0.8702(5) 0.2563(4) 0.4285(4) 0.087(2) Uani 1 1 d . . . . .
O2 O 0.8073(4) 0.4499(4) 0.4179(3) 0.0606(14) Uani 1 1 d . . . . .
O4 O 0.6150(4) 0.7735(3) 0.3460(2) 0.0416(11) Uani 1 1 d . . . . .
O3 O 0.5478(4) 0.9658(4) 0.3476(3) 0.0544(13) Uani 1 1 d . . . . .
O6 O 0.7143(4) 0.5545(4) 0.2520(3) 0.0562(13) Uani 1 1 d . . . . .
O5 O 0.7698(6) 0.4688(5) 0.1293(3) 0.087(2) Uani 1 1 d . . . . .
O9 O 0.9190(4) 0.5293(4) 0.3159(3) 0.0586(14) Uani 1 1 d . . . . .
O10 O 0.7814(4) 0.7124(3) 0.2542(2) 0.0424(11) Uani 1 1 d . . . . .
O8 O 0.6471(5) 1.0368(4) 0.2244(3) 0.0713(17) Uani 1 1 d . . . . .
O7 O 0.5420(8) 1.2236(4) 0.1565(3) 0.100(3) Uani 1 1 d . . . . .
O12 O 0.5161(4) 0.9160(4) 0.1995(2) 0.0519(13) Uani 1 1 d . . . . .
O11 O 0.3026(5) 1.0049(5) 0.1751(4) 0.0808(18) Uani 1 1 d . . . . .
O13 O 0.7817(4) 0.8306(4) 0.3711(3) 0.0551(14) Uani 1 1 d . . . . .
O14 O 0.8264(4) 0.6725(4) 0.4259(3) 0.0539(13) Uani 1 1 d . . . . .
N1 N 0.6681(5) 0.6113(4) 0.4885(3) 0.0460(15) Uani 1 1 d . . . . .
H1 H 0.650840 0.677901 0.497690 0.055 Uiso 1 1 calc R U . . .
N3 N 0.5569(4) 0.6165(4) 0.3558(3) 0.0435(14) Uani 1 1 d . . . . .
H3 H 0.566100 0.547648 0.364323 0.052 Uiso 1 1 calc R U . . .
N2 N 0.4397(5) 0.5959(5) 0.5823(3) 0.0531(16) Uani 1 1 d . . . . .
N6 N 0.7010(5) 0.8622(4) 0.1183(3) 0.0472(15) Uani 1 1 d . . . . .
H6 H 0.667677 0.929830 0.087388 0.057 Uiso 1 1 calc R U . . .
N4 N 0.8470(5) 0.8756(5) 0.2197(3) 0.0574(17) Uani 1 1 d . . . . .
H4 H 0.900049 0.809450 0.243906 0.069 Uiso 1 1 calc DR U . . .
N5 N 0.9893(8) 0.8863(6) 0.0413(4) 0.096(3) Uani 1 1 d . . . . .
H5 H 0.938360 0.925237 0.007724 0.115 Uiso 1 1 calc R U . . .
C1 C 0.8990(12) 0.1540(7) 0.4302(7) 0.148(6) Uani 1 1 d . . . . .
H1A H 0.961796 0.114102 0.463258 0.223 Uiso 1 1 calc R U . . .
H1B H 0.911047 0.141206 0.379119 0.223 Uiso 1 1 calc R U . . .
H1C H 0.843732 0.137585 0.449534 0.223 Uiso 1 1 calc R U . . .
C2 C 0.8433(7) 0.2913(7) 0.4954(6) 0.073(3) Uani 1 1 d . . . . .
C3 C 0.8465(8) 0.2332(7) 0.5651(6) 0.086(3) Uani 1 1 d . . . . .
H3A H 0.868110 0.165343 0.569003 0.104 Uiso 1 1 calc R U . . .
C4 C 0.8186(9) 0.2733(8) 0.6283(6) 0.091(3) Uani 1 1 d . . . . .
H4A H 0.821637 0.233076 0.675650 0.109 Uiso 1 1 calc R U . . .
C5 C 0.7859(8) 0.3727(7) 0.6227(5) 0.075(3) Uani 1 1 d . . . . .
H5A H 0.765982 0.400053 0.666364 0.090 Uiso 1 1 calc R U . . .
C6 C 0.7818(6) 0.4344(6) 0.5520(4) 0.054(2) Uani 1 1 d . . . . .
C7 C 0.8103(6) 0.3955(6) 0.4873(4) 0.055(2) Uani 1 1 d . . . . .
C8 C 0.7529(6) 0.5416(6) 0.5498(4) 0.058(2) Uani 1 1 d . . . . .
H8A H 0.814675 0.553257 0.541076 0.070 Uiso 1 1 calc R U . . .
H8B H 0.729928 0.556611 0.599543 0.070 Uiso 1 1 calc R U . . .
C9 C 0.5699(6) 0.6010(5) 0.4945(4) 0.0432(17) Uani 1 1 d . . . . .
H9 H 0.587231 0.530620 0.497613 0.052 Uiso 1 1 calc R U . . .
C10 C 0.5106(6) 0.6317(5) 0.5648(4) 0.0453(18) Uani 1 1 d . . . . .
C11 C 0.5220(7) 0.6961(6) 0.6048(4) 0.067(2) Uani 1 1 d . . . . .
H11 H 0.573053 0.718611 0.592934 0.081 Uiso 1 1 calc R U . . .
C12 C 0.4575(9) 0.7271(7) 0.6624(5) 0.082(3) Uani 1 1 d . . . . .
H12 H 0.464005 0.770705 0.690065 0.099 Uiso 1 1 calc R U . . .
C13 C 0.3831(8) 0.6923(7) 0.6780(5) 0.082(3) Uani 1 1 d . . . . .
H13 H 0.337712 0.712721 0.716196 0.099 Uiso 1 1 calc R U . . .
C14 C 0.3767(7) 0.6284(6) 0.6376(4) 0.067(2) Uani 1 1 d . . . . .
H14 H 0.325766 0.605667 0.648693 0.080 Uiso 1 1 calc R U . . .
C15 C 0.4984(6) 0.6600(5) 0.4198(4) 0.0437(17) Uani 1 1 d . . . . .
H15 H 0.435875 0.647741 0.423073 0.052 Uiso 1 1 calc R U . . .
C16 C 0.4637(6) 0.7697(5) 0.4099(4) 0.0435(17) Uani 1 1 d . . . . .
C17 C 0.3701(6) 0.8243(6) 0.4391(4) 0.056(2) Uani 1 1 d . . . . .
H17 H 0.330035 0.792246 0.460250 0.067 Uiso 1 1 calc R U . . .
C18 C 0.3342(7) 0.9242(7) 0.4379(5) 0.069(2) Uani 1 1 d . . . . .
H18 H 0.270144 0.958782 0.457019 0.083 Uiso 1 1 calc R U . . .
C19 C 0.3931(7) 0.9725(6) 0.4085(4) 0.061(2) Uani 1 1 d . . . . .
H19 H 0.370666 1.039668 0.408502 0.073 Uiso 1 1 calc R U . . .
C20 C 0.4863(6) 0.9194(5) 0.3790(4) 0.0484(18) Uani 1 1 d . . . . .
C21 C 0.5245(6) 0.8182(5) 0.3776(4) 0.0426(17) Uani 1 1 d . . . . .
C22 C 0.5750(9) 1.0165(7) 0.3977(5) 0.090(3) Uani 1 1 d . . . . .
H22A H 0.603466 0.972597 0.446616 0.135 Uiso 1 1 calc R U . . .
H22B H 0.513691 1.073776 0.404841 0.135 Uiso 1 1 calc R U . . .
H22C H 0.626177 1.037062 0.375197 0.135 Uiso 1 1 calc R U . . .
C23 C 0.4954(6) 0.6684(5) 0.2807(4) 0.0510(19) Uani 1 1 d . . . . .
H23A H 0.497439 0.732214 0.265684 0.061 Uiso 1 1 calc R U . . .
H23B H 0.422996 0.680895 0.287310 0.061 Uiso 1 1 calc R U . . .
C24 C 0.5329(6) 0.6122(6) 0.2162(4) 0.0494(18) Uani 1 1 d . . . . .
C25 C 0.4585(7) 0.6179(7) 0.1644(5) 0.072(3) Uani 1 1 d . . . . .
H25 H 0.388194 0.650260 0.173069 0.086 Uiso 1 1 calc R U . . .
C26 C 0.4858(10) 0.5768(8) 0.0999(6) 0.096(4) Uani 1 1 d . . . . .
H26 H 0.434122 0.582154 0.065166 0.115 Uiso 1 1 calc R U . . .
C27 C 0.5892(10) 0.5281(7) 0.0869(5) 0.082(3) Uani 1 1 d . . . . .
H27 H 0.608065 0.500196 0.043478 0.098 Uiso 1 1 calc R U . . .
C28 C 0.6647(8) 0.5208(6) 0.1382(4) 0.060(2) Uani 1 1 d . . . . .
C29 C 0.6381(7) 0.5639(5) 0.2044(4) 0.051(2) Uani 1 1 d . . . . .
C30 C 0.8102(12) 0.4901(12) 0.0635(8) 0.177(7) Uani 1 1 d . . . . .
H30A H 0.782253 0.472754 0.022589 0.266 Uiso 1 1 calc R U . . .
H30B H 0.884893 0.453001 0.069170 0.266 Uiso 1 1 calc R U . . .
H30C H 0.792326 0.559908 0.051487 0.266 Uiso 1 1 calc R U . . .
C52 C 1.0090(7) 0.4920(8) 0.3706(5) 0.095(3) Uani 1 1 d . . . . .
H52A H 1.027507 0.544866 0.374332 0.143 Uiso 1 1 calc R U . . .
H52B H 1.066750 0.439737 0.353421 0.143 Uiso 1 1 calc R U . . .
H52C H 0.992294 0.466569 0.420130 0.143 Uiso 1 1 calc R U . . .
C50 C 0.9326(6) 0.5714(6) 0.2411(4) 0.056(2) Uani 1 1 d . . . . .
C49 C 1.0149(7) 0.5164(7) 0.2014(5) 0.078(3) Uani 1 1 d . . . . .
H49 H 1.062577 0.452192 0.223750 0.094 Uiso 1 1 calc R U . . .
C48 C 1.0240(8) 0.5601(8) 0.1274(6) 0.094(3) Uani 1 1 d . . . . .
H48 H 1.077217 0.524532 0.098688 0.112 Uiso 1 1 calc R U . . .
C47 C 0.9547(8) 0.6553(7) 0.0966(5) 0.080(3) Uani 1 1 d . . . . .
H47 H 0.960859 0.683041 0.046408 0.097 Uiso 1 1 calc R U . . .
C46 C 0.8749(6) 0.7126(6) 0.1380(4) 0.054(2) Uani 1 1 d . . . . .
C51 C 0.8593(6) 0.6672(6) 0.2115(4) 0.0514(19) Uani 1 1 d . . . . .
C45 C 0.8125(6) 0.8217(6) 0.1048(4) 0.054(2) Uani 1 1 d . . . . .
H45 H 0.817504 0.831021 0.048902 0.064 Uiso 1 1 calc R U . . .
C39 C 0.8614(6) 0.8829(6) 0.1349(4) 0.055(2) Uani 1 1 d . . . . .
H39 H 0.820645 0.952522 0.109703 0.065 Uiso 1 1 calc R U . . .
C40 C 0.9724(7) 0.8535(7) 0.1143(4) 0.064(2) Uani 1 1 d . . . . .
C41 C 1.0538(7) 0.7912(8) 0.1650(5) 0.080(3) Uani 1 1 d . . . . .
H41 H 1.041888 0.769386 0.215314 0.096 Uiso 1 1 calc DR U . . .
C42 C 1.1511(10) 0.7606(11) 0.1437(8) 0.126(5) Uani 1 1 d . . . . .
H42 H 1.206097 0.716519 0.179376 0.151 Uiso 1 1 calc R U . . .
C43 C 1.1725(10) 0.7909(11) 0.0731(9) 0.122(5) Uani 1 1 d . . . . .
H43 H 1.241244 0.768423 0.059412 0.147 Uiso 1 1 calc R U . . .
C44 C 1.0943(12) 0.8535(10) 0.0227(7) 0.109(4) Uani 1 1 d . . . . .
H44 H 1.108762 0.876685 -0.026349 0.131 Uiso 1 1 calc R U . . .
C38 C 0.8728(8) 0.9458(7) 0.2534(5) 0.073(3) Uani 1 1 d . . . . .
H38A H 0.860277 0.938187 0.307710 0.087 Uiso 1 1 calc R U . . .
H38B H 0.946520 0.929197 0.249375 0.087 Uiso 1 1 calc R U . . .
C36 C 0.8101(10) 1.0510(9) 0.2147(5) 0.083(3) Uani 1 1 d . . . . .
C37 C 0.7037(10) 1.0889(6) 0.2027(4) 0.072(3) Uani 1 1 d . . . . .
C32 C 0.6517(12) 1.1869(9) 0.1669(5) 0.097(4) Uani 1 1 d . . . . .
C33 C 0.6986(14) 1.2498(10) 0.1414(7) 0.113(6) Uani 1 1 d . . . . .
H33 H 0.660109 1.315122 0.115719 0.136 Uiso 1 1 calc R U . . .
C34 C 0.8002(16) 1.2115(12) 0.1558(7) 0.133(7) Uani 1 1 d . . . . .
H34 H 0.834183 1.252097 0.142255 0.159 Uiso 1 1 calc R U . . .
C35 C 0.8590(11) 1.1128(9) 0.1906(6) 0.105(4) Uani 1 1 d . . . . .
H35 H 0.931306 1.087729 0.197792 0.126 Uiso 1 1 calc R U . . .
C31 C 0.4811(14) 1.3225(9) 0.1182(8) 0.189(8) Uani 1 1 d . . . . .
H31A H 0.495023 1.366856 0.143373 0.284 Uiso 1 1 calc R U . . .
H31B H 0.408327 1.337059 0.119581 0.284 Uiso 1 1 calc R U . . .
H31C H 0.498610 1.330863 0.065667 0.284 Uiso 1 1 calc R U . . .
C53 C 0.6493(6) 0.8053(6) 0.0923(4) 0.055(2) Uani 1 1 d . . . . .
H53A H 0.666913 0.744737 0.130408 0.066 Uiso 1 1 calc R U . . .
H53B H 0.677248 0.786506 0.044534 0.066 Uiso 1 1 calc R U . . .
C54 C 0.5337(6) 0.8600(5) 0.0799(4) 0.0475(18) Uani 1 1 d . . . . .
C55 C 0.4827(7) 0.8571(6) 0.0148(4) 0.064(2) Uani 1 1 d . . . . .
H55 H 0.522367 0.824915 -0.022308 0.077 Uiso 1 1 calc R U . . .
C56 C 0.3769(8) 0.8997(7) 0.0037(5) 0.070(3) Uani 1 1 d . . . . .
H56 H 0.345321 0.896663 -0.040729 0.084 Uiso 1 1 calc R U . . .
C57 C 0.3153(8) 0.9478(7) 0.0582(5) 0.072(3) Uani 1 1 d . . . . .
H57 H 0.242730 0.975688 0.051565 0.087 Uiso 1 1 calc R U . . .
C58 C 0.3646(7) 0.9532(6) 0.1222(4) 0.058(2) Uani 1 1 d . . . . .
C59 C 0.4734(6) 0.9093(5) 0.1357(4) 0.0498(19) Uani 1 1 d . . . . .
C60 C 0.2700(11) 0.9502(10) 0.2305(6) 0.134(5) Uani 1 1 d . . . . .
H60A H 0.221683 0.932491 0.207033 0.200 Uiso 1 1 calc R U . . .
H60B H 0.236084 0.988801 0.268245 0.200 Uiso 1 1 calc R U . . .
H60C H 0.329266 0.890931 0.254913 0.200 Uiso 1 1 calc R U . . .
C61 C 0.8272(6) 0.7543(6) 0.4227(4) 0.054(2) Uani 1 1 d . . . . .
C62 C 0.8840(10) 0.7679(8) 0.4871(6) 0.118(5) Uani 1 1 d . . . . .
H62A H 0.860762 0.747155 0.535485 0.178 Uiso 1 1 calc R U . . .
H62B H 0.869623 0.836724 0.480685 0.178 Uiso 1 1 calc R U . . .
H62C H 0.957846 0.728638 0.486434 0.178 Uiso 1 1 calc R U . . .
_smtbx_masks_special_details     
;
A solvent mask was calculated and 126 electrons were 
found in a volume of 734Å³ in 1 void per unit cell. 
This is consistent with the presence of 
1[2CH3CN], 1[1CH3OH] per Asymmetric Unit 
which account for 128 electrons 
per unit cell.
;

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.7921(5) . ?
Dy1 O4 2.398(4) . ?
Dy1 O3 2.509(5) . ?
Dy1 O10 2.300(4) . ?
Dy1 O8 2.269(5) . ?
Dy1 O12 2.264(5) . ?
Dy1 O13 2.349(5) . ?
Dy1 N6 2.522(5) . ?
Dy1 N4 2.528(6) . ?
Dy2 O2 2.264(5) . ?
Dy2 O4 2.306(5) . ?
Dy2 O6 2.245(5) . ?
Dy2 O9 2.503(5) . ?
Dy2 O10 2.405(4) . ?
Dy2 O14 2.361(5) . ?
Dy2 N1 2.536(5) . ?
Dy2 N3 2.510(5) . ?
O1 C1 1.424(11) . ?
O1 C2 1.373(10) . ?
O2 C7 1.336(8) . ?
O4 C21 1.342(8) . ?
O3 C20 1.390(8) . ?
O3 C22 1.434(9) . ?
O6 C29 1.323(8) . ?
O5 C28 1.381(10) . ?
O5 C30 1.338(12) . ?
O9 C52 1.448(9) . ?
O9 C50 1.409(8) . ?
O10 C51 1.337(8) . ?
O8 C37 1.357(10) . ?
O7 C32 1.412(14) . ?
O7 C31 1.409(12) . ?
O12 C59 1.330(8) . ?
O11 C58 1.390(9) . ?
O11 C60 1.371(12) . ?
O13 C61 1.256(8) . ?
O14 C61 1.239(9) . ?
N1 H1 0.9800 . ?
N1 C8 1.504(8) . ?
N1 C9 1.467(8) . ?
N3 H3 0.9800 . ?
N3 C15 1.483(8) . ?
N3 C23 1.485(8) . ?
N2 C10 1.342(9) . ?
N2 C14 1.335(9) . ?
N6 H6 0.9800 . ?
N6 C45 1.466(9) . ?
N6 C53 1.483(9) . ?
N4 H4 0.9800 . ?
N4 C39 1.503(8) . ?
N4 C38 1.488(10) . ?
N5 H5 0.8600 . ?
N5 C40 1.354(10) . ?
N5 C44 1.409(14) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.366(12) . ?
C2 C7 1.425(11) . ?
C3 H3A 0.9300 . ?
C3 C4 1.351(13) . ?
C4 H4A 0.9300 . ?
C4 C5 1.361(13) . ?
C5 H5A 0.9300 . ?
C5 C6 1.402(10) . ?
C6 C7 1.366(11) . ?
C6 C8 1.493(10) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9 0.9800 . ?
C9 C10 1.527(9) . ?
C9 C15 1.550(9) . ?
C10 C11 1.374(9) . ?
C11 H11 0.9300 . ?
C11 C12 1.374(11) . ?
C12 H12 0.9300 . ?
C12 C13 1.371(12) . ?
C13 H13 0.9300 . ?
C13 C14 1.344(11) . ?
C14 H14 0.9300 . ?
C15 H15 0.9800 . ?
C15 C16 1.498(9) . ?
C16 C17 1.385(10) . ?
C16 C21 1.409(9) . ?
C17 H17 0.9300 . ?
C17 C18 1.375(11) . ?
C18 H18 0.9300 . ?
C18 C19 1.370(11) . ?
C19 H19 0.9300 . ?
C19 C20 1.379(11) . ?
C20 C21 1.401(9) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.509(10) . ?
C24 C25 1.371(10) . ?
C24 C29 1.387(11) . ?
C25 H25 0.9300 . ?
C25 C26 1.379(12) . ?
C26 H26 0.9300 . ?
C26 C27 1.371(14) . ?
C27 H27 0.9300 . ?
C27 C28 1.368(12) . ?
C28 C29 1.419(10) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C50 C49 1.385(11) . ?
C50 C51 1.382(10) . ?
C49 H49 0.9300 . ?
C49 C48 1.385(11) . ?
C48 H48 0.9300 . ?
C48 C47 1.363(12) . ?
C47 H47 0.9300 . ?
C47 C46 1.397(11) . ?
C46 C51 1.418(9) . ?
C46 C45 1.507(10) . ?
C45 H45 0.9800 . ?
C45 C39 1.541(10) . ?
C39 H39 0.9800 . ?
C39 C40 1.502(11) . ?
C40 C41 1.346(11) . ?
C41 H41 0.9300 . ?
C41 C42 1.330(14) . ?
C42 H42 0.9300 . ?
C42 C43 1.327(15) . ?
C43 H43 0.9300 . ?
C43 C44 1.318(15) . ?
C44 H44 0.9300 . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C38 C36 1.485(13) . ?
C36 C37 1.369(14) . ?
C36 C35 1.394(12) . ?
C37 C32 1.373(14) . ?
C32 C33 1.389(16) . ?
C33 H33 0.9300 . ?
C33 C34 1.311(19) . ?
C34 H34 0.9300 . ?
C34 C35 1.386(18) . ?
C35 H35 0.9300 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C53 C54 1.485(10) . ?
C54 C55 1.387(10) . ?
C54 C59 1.407(10) . ?
C55 H55 0.9300 . ?
C55 C56 1.357(12) . ?
C56 H56 0.9300 . ?
C56 C57 1.387(12) . ?
C57 H57 0.9300 . ?
C57 C58 1.375(11) . ?
C58 C59 1.397(11) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 C62 1.501(10) . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Dy1 Dy2 35.46(11) . . ?
O4 Dy1 O3 65.74(15) . . ?
O4 Dy1 N6 123.60(17) . . ?
O4 Dy1 N4 137.67(18) . . ?
O3 Dy1 Dy2 99.04(10) . . ?
O3 Dy1 N6 144.39(18) . . ?
O3 Dy1 N4 130.67(18) . . ?
O10 Dy1 Dy2 37.24(10) . . ?
O10 Dy1 O4 72.17(15) . . ?
O10 Dy1 O3 135.92(14) . . ?
O10 Dy1 O13 80.02(17) . . ?
O10 Dy1 N6 72.04(17) . . ?
O10 Dy1 N4 75.56(19) . . ?
O8 Dy1 Dy2 167.56(13) . . ?
O8 Dy1 O4 139.32(19) . . ?
O8 Dy1 O3 73.64(18) . . ?
O8 Dy1 O10 147.4(2) . . ?
O8 Dy1 O13 98.17(18) . . ?
O8 Dy1 N6 88.81(19) . . ?
O8 Dy1 N4 73.0(2) . . ?
O12 Dy1 Dy2 98.18(13) . . ?
O12 Dy1 O4 78.91(16) . . ?
O12 Dy1 O3 76.35(17) . . ?
O12 Dy1 O10 108.28(17) . . ?
O12 Dy1 O8 89.9(2) . . ?
O12 Dy1 O13 149.23(17) . . ?
O12 Dy1 N6 72.83(18) . . ?
O12 Dy1 N4 138.06(17) . . ?
O13 Dy1 Dy2 70.12(12) . . ?
O13 Dy1 O4 75.64(16) . . ?
O13 Dy1 O3 77.60(18) . . ?
O13 Dy1 N6 136.57(19) . . ?
O13 Dy1 N4 72.40(18) . . ?
N6 Dy1 Dy2 102.55(13) . . ?
N6 Dy1 N4 68.90(19) . . ?
N4 Dy1 Dy2 106.14(15) . . ?
O2 Dy2 Dy1 168.14(14) . . ?
O2 Dy2 O4 150.36(17) . . ?
O2 Dy2 O9 72.44(17) . . ?
O2 Dy2 O10 137.20(17) . . ?
O2 Dy2 O14 99.76(18) . . ?
O2 Dy2 N1 74.16(18) . . ?
O2 Dy2 N3 90.89(19) . . ?
O4 Dy2 Dy1 37.11(10) . . ?
O4 Dy2 O9 134.30(16) . . ?
O4 Dy2 O10 71.95(15) . . ?
O4 Dy2 O14 78.50(17) . . ?
O4 Dy2 N1 77.15(17) . . ?
O4 Dy2 N3 71.37(17) . . ?
O6 Dy2 Dy1 98.64(13) . . ?
O6 Dy2 O2 86.09(19) . . ?
O6 Dy2 O4 109.75(17) . . ?
O6 Dy2 O9 77.32(18) . . ?
O6 Dy2 O10 78.45(17) . . ?
O6 Dy2 O14 151.34(18) . . ?
O6 Dy2 N1 135.25(18) . . ?
O6 Dy2 N3 72.73(18) . . ?
O9 Dy2 Dy1 97.88(11) . . ?
O9 Dy2 N1 130.32(17) . . ?
O9 Dy2 N3 146.59(18) . . ?
O10 Dy2 Dy1 35.36(11) . . ?
O10 Dy2 O9 65.33(15) . . ?
O10 Dy2 N1 141.15(17) . . ?
O10 Dy2 N3 121.08(16) . . ?
O14 Dy2 Dy1 70.96(11) . . ?
O14 Dy2 O9 77.83(18) . . ?
O14 Dy2 O10 78.38(15) . . ?
O14 Dy2 N1 72.81(17) . . ?
O14 Dy2 N3 134.59(18) . . ?
N1 Dy2 Dy1 108.86(13) . . ?
N3 Dy2 Dy1 100.89(13) . . ?
N3 Dy2 N1 67.98(17) . . ?
C2 O1 C1 118.7(8) . . ?
C7 O2 Dy2 139.6(5) . . ?
Dy2 O4 Dy1 107.42(18) . . ?
C21 O4 Dy1 118.1(4) . . ?
C21 O4 Dy2 134.5(4) . . ?
C20 O3 Dy1 114.0(4) . . ?
C20 O3 C22 114.7(6) . . ?
C22 O3 Dy1 121.2(5) . . ?
C29 O6 Dy2 139.6(5) . . ?
C30 O5 C28 120.3(9) . . ?
C52 O9 Dy2 121.5(5) . . ?
C50 O9 Dy2 113.7(4) . . ?
C50 O9 C52 115.0(6) . . ?
Dy1 O10 Dy2 107.40(17) . . ?
C51 O10 Dy1 134.4(4) . . ?
C51 O10 Dy2 118.2(4) . . ?
C37 O8 Dy1 138.2(6) . . ?
C31 O7 C32 120.0(11) . . ?
C59 O12 Dy1 140.7(5) . . ?
C60 O11 C58 115.2(8) . . ?
C61 O13 Dy1 137.0(5) . . ?
C61 O14 Dy2 135.2(5) . . ?
Dy2 N1 H1 105.1 . . ?
C8 N1 Dy2 111.3(4) . . ?
C8 N1 H1 105.1 . . ?
C9 N1 Dy2 114.5(4) . . ?
C9 N1 H1 105.1 . . ?
C9 N1 C8 114.5(5) . . ?
Dy2 N3 H3 107.0 . . ?
C15 N3 Dy2 112.1(4) . . ?
C15 N3 H3 107.0 . . ?
C15 N3 C23 111.0(5) . . ?
C23 N3 Dy2 112.4(4) . . ?
C23 N3 H3 107.0 . . ?
C14 N2 C10 117.9(6) . . ?
Dy1 N6 H6 107.1 . . ?
C45 N6 Dy1 110.8(4) . . ?
C45 N6 H6 107.1 . . ?
C45 N6 C53 112.3(6) . . ?
C53 N6 Dy1 112.1(4) . . ?
C53 N6 H6 107.1 . . ?
Dy1 N4 H4 104.8 . . ?
C39 N4 Dy1 114.1(4) . . ?
C39 N4 H4 104.8 . . ?
C38 N4 Dy1 113.4(5) . . ?
C38 N4 H4 104.8 . . ?
C38 N4 C39 113.6(6) . . ?
C40 N5 H5 121.6 . . ?
C40 N5 C44 116.9(9) . . ?
C44 N5 H5 121.6 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C7 114.8(8) . . ?
C3 C2 O1 124.1(9) . . ?
C3 C2 C7 121.1(9) . . ?
C2 C3 H3A 119.7 . . ?
C4 C3 C2 120.6(9) . . ?
C4 C3 H3A 119.7 . . ?
C3 C4 H4A 120.0 . . ?
C3 C4 C5 120.0(8) . . ?
C5 C4 H4A 120.0 . . ?
C4 C5 H5A 119.6 . . ?
C4 C5 C6 120.8(9) . . ?
C6 C5 H5A 119.6 . . ?
C5 C6 C8 118.9(8) . . ?
C7 C6 C5 120.4(8) . . ?
C7 C6 C8 120.6(7) . . ?
O2 C7 C2 119.2(8) . . ?
O2 C7 C6 123.6(7) . . ?
C6 C7 C2 117.2(7) . . ?
N1 C8 H8A 108.8 . . ?
N1 C8 H8B 108.8 . . ?
C6 C8 N1 113.8(6) . . ?
C6 C8 H8A 108.8 . . ?
C6 C8 H8B 108.8 . . ?
H8A C8 H8B 107.7 . . ?
N1 C9 H9 107.4 . . ?
N1 C9 C10 115.2(5) . . ?
N1 C9 C15 109.2(5) . . ?
C10 C9 H9 107.4 . . ?
C10 C9 C15 110.1(6) . . ?
C15 C9 H9 107.4 . . ?
N2 C10 C9 114.5(6) . . ?
N2 C10 C11 121.4(7) . . ?
C11 C10 C9 124.0(7) . . ?
C10 C11 H11 120.2 . . ?
C10 C11 C12 119.6(8) . . ?
C12 C11 H11 120.2 . . ?
C11 C12 H12 120.8 . . ?
C13 C12 C11 118.4(8) . . ?
C13 C12 H12 120.8 . . ?
C12 C13 H13 120.4 . . ?
C14 C13 C12 119.2(9) . . ?
C14 C13 H13 120.4 . . ?
N2 C14 C13 123.4(8) . . ?
N2 C14 H14 118.3 . . ?
C13 C14 H14 118.3 . . ?
N3 C15 C9 106.4(5) . . ?
N3 C15 H15 107.9 . . ?
N3 C15 C16 114.2(5) . . ?
C9 C15 H15 107.9 . . ?
C16 C15 C9 112.3(5) . . ?
C16 C15 H15 107.9 . . ?
C17 C16 C15 117.6(6) . . ?
C17 C16 C21 118.8(7) . . ?
C21 C16 C15 123.4(7) . . ?
C16 C17 H17 118.7 . . ?
C18 C17 C16 122.6(8) . . ?
C18 C17 H17 118.7 . . ?
C17 C18 H18 120.2 . . ?
C19 C18 C17 119.7(8) . . ?
C19 C18 H18 120.2 . . ?
C18 C19 H19 120.7 . . ?
C18 C19 C20 118.5(8) . . ?
C20 C19 H19 120.7 . . ?
O3 C20 C21 116.1(7) . . ?
C19 C20 O3 120.4(7) . . ?
C19 C20 C21 123.5(7) . . ?
O4 C21 C16 124.1(6) . . ?
O4 C21 C20 119.1(6) . . ?
C20 C21 C16 116.9(7) . . ?
O3 C22 H22A 109.5 . . ?
O3 C22 H22B 109.5 . . ?
O3 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N3 C23 H23A 108.6 . . ?
N3 C23 H23B 108.6 . . ?
N3 C23 C24 114.6(6) . . ?
H23A C23 H23B 107.6 . . ?
C24 C23 H23A 108.6 . . ?
C24 C23 H23B 108.6 . . ?
C25 C24 C23 117.6(8) . . ?
C25 C24 C29 120.0(7) . . ?
C29 C24 C23 122.2(6) . . ?
C24 C25 H25 119.3 . . ?
C24 C25 C26 121.5(9) . . ?
C26 C25 H25 119.3 . . ?
C25 C26 H26 120.1 . . ?
C27 C26 C25 119.8(9) . . ?
C27 C26 H26 120.1 . . ?
C26 C27 H27 120.2 . . ?
C28 C27 C26 119.7(9) . . ?
C28 C27 H27 120.2 . . ?
O5 C28 C29 117.0(8) . . ?
C27 C28 O5 121.7(8) . . ?
C27 C28 C29 121.3(9) . . ?
O6 C29 C24 123.6(7) . . ?
O6 C29 C28 118.7(8) . . ?
C24 C29 C28 117.8(7) . . ?
O5 C30 H30A 109.5 . . ?
O5 C30 H30B 109.5 . . ?
O5 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O9 C52 H52A 109.5 . . ?
O9 C52 H52B 109.5 . . ?
O9 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C49 C50 O9 120.0(7) . . ?
C51 C50 O9 115.9(7) . . ?
C51 C50 C49 124.1(7) . . ?
C50 C49 H49 121.0 . . ?
C50 C49 C48 117.9(8) . . ?
C48 C49 H49 121.0 . . ?
C49 C48 H48 120.0 . . ?
C47 C48 C49 119.9(9) . . ?
C47 C48 H48 120.0 . . ?
C48 C47 H47 118.9 . . ?
C48 C47 C46 122.2(8) . . ?
C46 C47 H47 118.9 . . ?
C47 C46 C51 118.7(8) . . ?
C47 C46 C45 118.9(7) . . ?
C51 C46 C45 122.3(7) . . ?
O10 C51 C50 119.1(6) . . ?
O10 C51 C46 124.2(7) . . ?
C50 C51 C46 116.7(7) . . ?
N6 C45 C46 115.2(6) . . ?
N6 C45 H45 107.2 . . ?
N6 C45 C39 109.3(6) . . ?
C46 C45 H45 107.2 . . ?
C46 C45 C39 110.3(6) . . ?
C39 C45 H45 107.2 . . ?
N4 C39 C45 107.9(6) . . ?
N4 C39 H39 107.3 . . ?
C45 C39 H39 107.3 . . ?
C40 C39 N4 114.6(6) . . ?
C40 C39 C45 112.2(7) . . ?
C40 C39 H39 107.3 . . ?
N5 C40 C39 118.3(8) . . ?
C41 C40 N5 120.1(9) . . ?
C41 C40 C39 121.5(7) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 C40 120.4(9) . . ?
C42 C41 H41 119.8 . . ?
C41 C42 H42 118.9 . . ?
C43 C42 C41 122.2(12) . . ?
C43 C42 H42 118.9 . . ?
C42 C43 H43 120.7 . . ?
C44 C43 C42 118.6(12) . . ?
C44 C43 H43 120.7 . . ?
N5 C44 H44 119.1 . . ?
C43 C44 N5 121.8(10) . . ?
C43 C44 H44 119.1 . . ?
N4 C38 H38A 109.1 . . ?
N4 C38 H38B 109.1 . . ?
H38A C38 H38B 107.8 . . ?
C36 C38 N4 112.5(7) . . ?
C36 C38 H38A 109.1 . . ?
C36 C38 H38B 109.1 . . ?
C37 C36 C38 120.7(8) . . ?
C37 C36 C35 119.0(12) . . ?
C35 C36 C38 120.3(12) . . ?
O8 C37 C36 124.6(8) . . ?
O8 C37 C32 118.5(11) . . ?
C36 C37 C32 116.9(10) . . ?
C37 C32 O7 115.2(11) . . ?
C37 C32 C33 125.3(14) . . ?
C33 C32 O7 119.5(13) . . ?
C32 C33 H33 122.0 . . ?
C34 C33 C32 116.0(15) . . ?
C34 C33 H33 122.0 . . ?
C33 C34 H34 118.8 . . ?
C33 C34 C35 122.4(14) . . ?
C35 C34 H34 118.8 . . ?
C36 C35 H35 119.8 . . ?
C34 C35 C36 120.3(14) . . ?
C34 C35 H35 119.8 . . ?
O7 C31 H31A 109.5 . . ?
O7 C31 H31B 109.5 . . ?
O7 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N6 C53 H53A 108.7 . . ?
N6 C53 H53B 108.7 . . ?
N6 C53 C54 114.4(6) . . ?
H53A C53 H53B 107.6 . . ?
C54 C53 H53A 108.7 . . ?
C54 C53 H53B 108.7 . . ?
C55 C54 C53 119.9(7) . . ?
C55 C54 C59 118.7(8) . . ?
C59 C54 C53 121.2(6) . . ?
C54 C55 H55 119.0 . . ?
C56 C55 C54 122.1(8) . . ?
C56 C55 H55 119.0 . . ?
C55 C56 H56 119.8 . . ?
C55 C56 C57 120.5(8) . . ?
C57 C56 H56 119.8 . . ?
C56 C57 H57 120.9 . . ?
C58 C57 C56 118.2(9) . . ?
C58 C57 H57 120.9 . . ?
O11 C58 C59 119.4(7) . . ?
C57 C58 O11 117.9(8) . . ?
C57 C58 C59 122.7(8) . . ?
O12 C59 C54 122.5(7) . . ?
O12 C59 C58 119.7(7) . . ?
C58 C59 C54 117.8(7) . . ?
O11 C60 H60A 109.5 . . ?
O11 C60 H60B 109.5 . . ?
O11 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O13 C61 C62 114.7(7) . . ?
O14 C61 O13 126.4(7) . . ?
O14 C61 C62 118.8(7) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O4 C21 C16 159.1(5) . . . . ?
Dy1 O4 C21 C20 -20.7(8) . . . . ?
Dy1 O3 C20 C19 -159.1(6) . . . . ?
Dy1 O3 C20 C21 20.2(7) . . . . ?
Dy1 O10 C51 C50 156.0(5) . . . . ?
Dy1 O10 C51 C46 -21.3(11) . . . . ?
Dy1 O8 C37 C36 -19.1(12) . . . . ?
Dy1 O8 C37 C32 161.8(6) . . . . ?
Dy1 O12 C59 C54 3.5(11) . . . . ?
Dy1 O12 C59 C58 -175.8(5) . . . . ?
Dy1 O13 C61 O14 0.4(13) . . . . ?
Dy1 O13 C61 C62 -177.3(7) . . . . ?
Dy1 N6 C45 C46 72.3(7) . . . . ?
Dy1 N6 C45 C39 -52.5(6) . . . . ?
Dy1 N6 C53 C54 74.1(6) . . . . ?
Dy1 N4 C39 C45 -37.3(7) . . . . ?
Dy1 N4 C39 C40 -163.0(5) . . . . ?
Dy1 N4 C38 C36 -74.9(8) . . . . ?
Dy2 O2 C7 C2 163.2(6) . . . . ?
Dy2 O2 C7 C6 -15.8(12) . . . . ?
Dy2 O4 C21 C16 -20.4(10) . . . . ?
Dy2 O4 C21 C20 159.7(5) . . . . ?
Dy2 O6 C29 C24 -9.5(11) . . . . ?
Dy2 O6 C29 C28 171.9(5) . . . . ?
Dy2 O9 C50 C49 -157.9(7) . . . . ?
Dy2 O9 C50 C51 21.2(9) . . . . ?
Dy2 O10 C51 C50 -21.8(9) . . . . ?
Dy2 O10 C51 C46 161.0(6) . . . . ?
Dy2 O14 C61 O13 -7.5(13) . . . . ?
Dy2 O14 C61 C62 170.1(7) . . . . ?
Dy2 N1 C8 C6 -73.8(7) . . . . ?
Dy2 N1 C9 C10 -162.4(4) . . . . ?
Dy2 N1 C9 C15 -38.0(6) . . . . ?
Dy2 N3 C15 C9 -53.0(6) . . . . ?
Dy2 N3 C15 C16 71.4(6) . . . . ?
Dy2 N3 C23 C24 70.5(7) . . . . ?
O1 C2 C3 C4 -179.8(10) . . . . ?
O1 C2 C7 O2 0.4(12) . . . . ?
O1 C2 C7 C6 179.5(7) . . . . ?
O3 C20 C21 O4 -0.8(9) . . . . ?
O3 C20 C21 C16 179.3(6) . . . . ?
O5 C28 C29 O6 1.8(10) . . . . ?
O5 C28 C29 C24 -176.9(7) . . . . ?
O9 C50 C49 C48 178.7(9) . . . . ?
O9 C50 C51 O10 -0.8(11) . . . . ?
O9 C50 C51 C46 176.7(7) . . . . ?
O8 C37 C32 O7 0.0(12) . . . . ?
O8 C37 C32 C33 179.9(9) . . . . ?
O7 C32 C33 C34 177.4(12) . . . . ?
O11 C58 C59 O12 1.1(11) . . . . ?
O11 C58 C59 C54 -178.2(7) . . . . ?
N1 C9 C10 N2 -161.4(6) . . . . ?
N1 C9 C10 C11 22.9(10) . . . . ?
N1 C9 C15 N3 59.8(7) . . . . ?
N1 C9 C15 C16 -65.8(7) . . . . ?
N3 C15 C16 C17 146.9(6) . . . . ?
N3 C15 C16 C21 -37.6(9) . . . . ?
N3 C23 C24 C25 142.6(7) . . . . ?
N3 C23 C24 C29 -43.3(10) . . . . ?
N2 C10 C11 C12 -2.0(13) . . . . ?
N6 C45 C39 N4 59.9(7) . . . . ?
N6 C45 C39 C40 -173.0(6) . . . . ?
N6 C53 C54 C55 135.9(7) . . . . ?
N6 C53 C54 C59 -48.8(9) . . . . ?
N4 C39 C40 N5 -159.5(7) . . . . ?
N4 C39 C40 C41 24.7(12) . . . . ?
N4 C38 C36 C37 49.4(11) . . . . ?
N4 C38 C36 C35 -131.0(8) . . . . ?
N5 C40 C41 C42 -0.7(17) . . . . ?
C1 O1 C2 C3 2.8(15) . . . . ?
C1 O1 C2 C7 -176.8(10) . . . . ?
C2 C3 C4 C5 0.7(17) . . . . ?
C3 C2 C7 O2 -179.3(8) . . . . ?
C3 C2 C7 C6 -0.2(13) . . . . ?
C3 C4 C5 C6 -0.7(16) . . . . ?
C4 C5 C6 C7 0.3(13) . . . . ?
C4 C5 C6 C8 -175.6(8) . . . . ?
C5 C6 C7 O2 179.2(7) . . . . ?
C5 C6 C7 C2 0.1(12) . . . . ?
C5 C6 C8 N1 -130.0(7) . . . . ?
C7 C2 C3 C4 -0.2(16) . . . . ?
C7 C6 C8 N1 54.2(10) . . . . ?
C8 N1 C9 C10 67.3(8) . . . . ?
C8 N1 C9 C15 -168.3(6) . . . . ?
C8 C6 C7 O2 -5.0(12) . . . . ?
C8 C6 C7 C2 176.0(7) . . . . ?
C9 N1 C8 C6 58.1(8) . . . . ?
C9 C10 C11 C12 173.4(8) . . . . ?
C9 C15 C16 C17 -91.9(8) . . . . ?
C9 C15 C16 C21 83.6(8) . . . . ?
C10 N2 C14 C13 -2.3(13) . . . . ?
C10 C9 C15 N3 -172.8(5) . . . . ?
C10 C9 C15 C16 61.6(7) . . . . ?
C10 C11 C12 C13 0.0(14) . . . . ?
C11 C12 C13 C14 0.9(15) . . . . ?
C12 C13 C14 N2 0.3(15) . . . . ?
C14 N2 C10 C9 -172.7(7) . . . . ?
C14 N2 C10 C11 3.1(11) . . . . ?
C15 N3 C23 C24 -163.0(6) . . . . ?
C15 C9 C10 N2 74.7(7) . . . . ?
C15 C9 C10 C11 -101.0(8) . . . . ?
C15 C16 C17 C18 175.5(7) . . . . ?
C15 C16 C21 O4 6.2(10) . . . . ?
C15 C16 C21 C20 -173.9(6) . . . . ?
C16 C17 C18 C19 -1.4(13) . . . . ?
C17 C16 C21 O4 -178.3(6) . . . . ?
C17 C16 C21 C20 1.5(10) . . . . ?
C17 C18 C19 C20 1.6(12) . . . . ?
C18 C19 C20 O3 179.1(7) . . . . ?
C18 C19 C20 C21 -0.2(12) . . . . ?
C19 C20 C21 O4 178.5(6) . . . . ?
C19 C20 C21 C16 -1.4(10) . . . . ?
C21 C16 C17 C18 -0.2(11) . . . . ?
C22 O3 C20 C19 54.8(10) . . . . ?
C22 O3 C20 C21 -125.9(7) . . . . ?
C23 N3 C15 C9 -179.7(5) . . . . ?
C23 N3 C15 C16 -55.2(7) . . . . ?
C23 C24 C25 C26 173.9(8) . . . . ?
C23 C24 C29 O6 6.8(11) . . . . ?
C23 C24 C29 C28 -174.5(6) . . . . ?
C24 C25 C26 C27 0.7(16) . . . . ?
C25 C24 C29 O6 -179.3(7) . . . . ?
C25 C24 C29 C28 -0.6(11) . . . . ?
C25 C26 C27 C28 -0.1(16) . . . . ?
C26 C27 C28 O5 177.2(9) . . . . ?
C26 C27 C28 C29 -0.9(14) . . . . ?
C27 C28 C29 O6 180.0(7) . . . . ?
C27 C28 C29 C24 1.3(11) . . . . ?
C29 C24 C25 C26 -0.3(13) . . . . ?
C30 O5 C28 C27 54.6(14) . . . . ?
C30 O5 C28 C29 -127.3(11) . . . . ?
C52 O9 C50 C49 55.5(11) . . . . ?
C52 O9 C50 C51 -125.4(8) . . . . ?
C50 C49 C48 C47 1.8(17) . . . . ?
C49 C50 C51 O10 178.3(8) . . . . ?
C49 C50 C51 C46 -4.3(13) . . . . ?
C49 C48 C47 C46 1.5(17) . . . . ?
C48 C47 C46 C51 -6.2(15) . . . . ?
C48 C47 C46 C45 170.5(9) . . . . ?
C47 C46 C51 O10 -175.4(8) . . . . ?
C47 C46 C51 C50 7.3(12) . . . . ?
C47 C46 C45 N6 143.1(8) . . . . ?
C47 C46 C45 C39 -92.6(9) . . . . ?
C46 C45 C39 N4 -67.8(8) . . . . ?
C46 C45 C39 C40 59.3(8) . . . . ?
C51 C50 C49 C48 -0.3(15) . . . . ?
C51 C46 C45 N6 -40.3(10) . . . . ?
C51 C46 C45 C39 84.0(9) . . . . ?
C45 N6 C53 C54 -160.5(6) . . . . ?
C45 C46 C51 O10 8.0(12) . . . . ?
C45 C46 C51 C50 -169.3(7) . . . . ?
C45 C39 C40 N5 77.1(10) . . . . ?
C45 C39 C40 C41 -98.7(10) . . . . ?
C39 N4 C38 C36 57.5(10) . . . . ?
C39 C40 C41 C42 175.1(11) . . . . ?
C40 N5 C44 C43 2.5(18) . . . . ?
C40 C41 C42 C43 1(2) . . . . ?
C41 C42 C43 C44 0(2) . . . . ?
C42 C43 C44 N5 -2(2) . . . . ?
C44 N5 C40 C39 -177.0(9) . . . . ?
C44 N5 C40 C41 -1.1(14) . . . . ?
C38 N4 C39 C45 -169.3(7) . . . . ?
C38 N4 C39 C40 65.0(9) . . . . ?
C38 C36 C37 O8 0.5(13) . . . . ?
C38 C36 C37 C32 179.6(8) . . . . ?
C38 C36 C35 C34 -178.7(9) . . . . ?
C36 C37 C32 O7 -179.1(8) . . . . ?
C36 C37 C32 C33 0.8(15) . . . . ?
C37 C36 C35 C34 0.9(14) . . . . ?
C37 C32 C33 C34 -2.5(19) . . . . ?
C32 C33 C34 C35 3(2) . . . . ?
C33 C34 C35 C36 -2.8(19) . . . . ?
C35 C36 C37 O8 -179.0(7) . . . . ?
C35 C36 C37 C32 0.0(13) . . . . ?
C31 O7 C32 C37 -178.0(9) . . . . ?
C31 O7 C32 C33 2.1(15) . . . . ?
C53 N6 C45 C46 -53.9(8) . . . . ?
C53 N6 C45 C39 -178.7(5) . . . . ?
C53 C54 C55 C56 175.1(8) . . . . ?
C53 C54 C59 O12 5.0(11) . . . . ?
C53 C54 C59 C58 -175.7(7) . . . . ?
C54 C55 C56 C57 -0.4(14) . . . . ?
C55 C54 C59 O12 -179.6(7) . . . . ?
C55 C54 C59 C58 -0.3(11) . . . . ?
C55 C56 C57 C58 1.7(14) . . . . ?
C56 C57 C58 O11 177.5(8) . . . . ?
C56 C57 C58 C59 -2.4(13) . . . . ?
C57 C58 C59 O12 -179.0(7) . . . . ?
C57 C58 C59 C54 1.7(12) . . . . ?
C59 C54 C55 C56 -0.4(12) . . . . ?
C60 O11 C58 C57 87.0(11) . . . . ?
C60 O11 C58 C59 -93.1(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
