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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_20170724-hp1
_database_code_depnum_ccdc_archive 'CCDC 1577365'
_audit_update_record             
;
2017-09-30 deposited with the CCDC.	2021-08-24 downloaded from the CCDC.
;
_audit_creation_date             2017-09-08
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H22 Dy2 N4 O20, 2(C2 H3 N)'
_chemical_formula_sum            'C20 H28 Dy2 N6 O20'
_chemical_formula_weight         997.48
_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'
I I -0.3257 6.8362 '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'
Dy Dy -9.8046 9.8477 '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                   9.0925(2)
_cell_length_b                   9.5016(2)
_cell_length_c                   11.1478(2)
_cell_angle_alpha                68.381(2)
_cell_angle_beta                 82.643(2)
_cell_angle_gamma                67.042(2)
_cell_volume                     824.29(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    6548
_cell_measurement_temperature    294.5(3)
_cell_measurement_theta_max      73.6550
_cell_measurement_theta_min      5.9660
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    24.789
_exptl_absorpt_correction_T_max  0.144
_exptl_absorpt_correction_T_min  0.105
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    2.010
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             522
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0211
_diffrn_reflns_av_unetI/netI     0.0228
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            8331
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.916
_diffrn_reflns_theta_min         4.267
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      294.5(3)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -16.00  23.00   0.50    0.50    --    0.00 -82.00-180.00   78
  2  ω    -46.00  12.00   0.50    0.50    --    0.00 -77.00 -30.00  116
  3  ω      3.00  29.00   0.50    0.50    --    0.00 -82.00 -90.00   52
  4  ω    -33.00  30.00   0.50    0.50    --    0.00 -82.00  60.00  126
  5  ω    -46.00 -14.00   0.50    0.50    --    0.00 -77.00 120.00   64
  6  ω     12.00 107.00   0.50    0.50    --   94.60 -30.00 -30.00  190
  7  ω     19.00  79.00   0.50    0.50    --   94.60 -82.00   0.00  120
  8  ω    145.00 184.00   0.50    0.50    --   94.60  82.00 -60.00   78
  9  ω     68.00 115.00   0.50    0.50    --   94.60 -61.00 120.00   94
 10  ω      5.00  53.00   0.50    0.50    --   94.60 -61.00 120.00   96
 11  ω      9.00 126.00   0.50    0.50    --   94.60 -82.00 120.00  234
 12  ω     83.00 123.00   0.50    0.50    --   94.60 -82.00   0.00   80
 13  ω     65.00 125.00   0.50    0.50    --   94.60 -82.00 -90.00  120
 14  ω     14.00  55.00   0.50    0.50    --   94.60 -82.00-150.00   82
 15  ω     63.00 102.00   0.50    0.50    --   94.60 -82.00-150.00   78
 16  ω      7.00 111.00   0.50    0.50    --   94.60 -30.00-150.00  208
 17  ω     14.00 125.00   0.50    0.50    --   94.60 -82.00 -60.00  222
 18  ω    117.00 177.00   0.50    0.50    --   94.60  45.00 -30.00  120
 19  ω     73.00  98.00   0.50    0.50    --   94.60 -82.00  90.00   50
 20  ω     73.00 101.00   0.50    0.50    --   94.60 -61.00   0.00   56
 21  ω     90.00 139.00   0.50    0.50    --   94.60  82.00 -60.00   98
 22  ω     91.00 184.00   0.50    0.50    --   94.60  15.00  60.00  186
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0022527000
_diffrn_orient_matrix_UB_12      0.1232470000
_diffrn_orient_matrix_UB_13      -0.1369034000
_diffrn_orient_matrix_UB_21      -0.1832548000
_diffrn_orient_matrix_UB_22      0.0567211000
_diffrn_orient_matrix_UB_23      -0.0063410000
_diffrn_orient_matrix_UB_31      -0.0168273000
_diffrn_orient_matrix_UB_32      0.1299700000
_diffrn_orient_matrix_UB_33      0.0576346000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3053
_reflns_number_total             3195
_reflns_odcompleteness_completeness 99.35
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.473
_refine_diff_density_min         -0.411
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       0.00313(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     224
_refine_ls_number_reflns         3195
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0200
_refine_ls_R_factor_gt           0.0189
_refine_ls_restrained_S_all      1.093
_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)+(0.0315P)²+0.0484P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0516
_refine_ls_wR_factor_ref         0.0521
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Free rotating group:
 O1W(H1WA,H1WB)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4)
2.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C10(H10A,H10B,H10C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.9147(3) 0.3223(3) 0.5328(3) 0.0386(6) Uani 1 1 d . . . . .
C2 C 1.0658(4) 0.2620(4) 0.5851(4) 0.0541(8) Uani 1 1 d . . . . .
H2 H 1.1541 0.2038 0.5474 0.065 Uiso 1 1 calc R . . . .
C3 C 1.0834(4) 0.2898(4) 0.6946(4) 0.0647(10) Uani 1 1 d . . . . .
H3 H 1.1849 0.2491 0.7307 0.078 Uiso 1 1 calc R . . . .
C4 C 0.9545(4) 0.3761(4) 0.7520(3) 0.0543(8) Uani 1 1 d . . . . .
H4 H 0.9686 0.3930 0.8260 0.065 Uiso 1 1 calc R . . . .
C5 C 0.8036(3) 0.4373(3) 0.6975(3) 0.0397(6) Uani 1 1 d . . . . .
C6 C 0.7826(3) 0.4103(3) 0.5879(3) 0.0332(5) Uani 1 1 d . . . . .
C7 C 1.0064(5) 0.2159(5) 0.3587(5) 0.0705(11) Uani 1 1 d . . . . .
H7A H 0.9655 0.2126 0.2850 0.106 Uiso 1 1 calc GR . . . .
H7B H 1.0589 0.1067 0.4169 0.106 Uiso 1 1 calc GR . . . .
H7C H 1.0814 0.2696 0.3311 0.106 Uiso 1 1 calc GR . . . .
C8 C 0.6710(5) 0.5589(5) 0.8579(3) 0.0604(9) Uani 1 1 d . . . . .
H8A H 0.7341 0.6246 0.8414 0.091 Uiso 1 1 calc GR . . . .
H8B H 0.7199 0.4575 0.9266 0.091 Uiso 1 1 calc GR . . . .
H8C H 0.5656 0.6157 0.8823 0.091 Uiso 1 1 calc GR . . . .
Dy1 Dy 0.41504(2) 0.62313(2) 0.61120(2) 0.03059(7) Uani 1 1 d . . . . .
N1 N 0.3528(4) 0.3871(4) 0.8382(2) 0.0536(7) Uani 1 1 d . . . . .
N2 N 0.4399(3) 0.9058(3) 0.4039(2) 0.0409(5) Uani 1 1 d . . . . .
O1 O 0.8764(2) 0.3043(2) 0.4237(2) 0.0426(4) Uani 1 1 d . . . . .
O1W O 0.3315(3) 0.8372(3) 0.6957(2) 0.0505(5) Uani 1 1 d . . . . .
H1WA H 0.2858 0.8347 0.7674 0.076 Uiso 1 1 d G . . . .
H1WB H 0.3796 0.9034 0.6752 0.076 Uiso 1 1 d G . . . .
O2 O 0.6366(2) 0.4678(2) 0.53598(17) 0.0342(4) Uani 1 1 d . . . . .
O3 O 0.6608(3) 0.5270(3) 0.74219(18) 0.0446(5) Uani 1 1 d . . . . .
O4 O 0.4278(3) 0.3484(3) 0.7458(2) 0.0537(6) Uani 1 1 d . . . . .
O5 O 0.3188(5) 0.2922(4) 0.9323(3) 0.0941(11) Uani 1 1 d . . . . .
O6 O 0.3123(3) 0.5363(3) 0.8260(2) 0.0568(6) Uani 1 1 d . . . . .
O7 O 0.5487(2) 0.8199(3) 0.4883(2) 0.0451(5) Uani 1 1 d . . . . .
O8 O 0.4491(4) 1.0213(3) 0.3110(2) 0.0673(7) Uani 1 1 d . . . . .
O9 O 0.3193(3) 0.8671(2) 0.4188(2) 0.0460(5) Uani 1 1 d . . . . .
C9 C 0.2219(6) 0.9162(5) 1.0162(4) 0.0741(11) Uani 1 1 d . . . . .
C10 C 0.2089(8) 0.9799(6) 1.1148(5) 0.0924(16) Uani 1 1 d . . . . .
H10A H 0.0981 1.0322 1.1306 0.139 Uiso 1 1 calc GR . . . .
H10B H 0.2597 1.0578 1.0885 0.139 Uiso 1 1 calc GR . . . .
H10C H 0.2599 0.8928 1.1922 0.139 Uiso 1 1 calc GR . . . .
N3 N 0.2293(6) 0.8665(6) 0.9365(4) 0.1031(14) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.379(4) . ?
C1 C6 1.388(4) . ?
C1 O1 1.392(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.381(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.378(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.386(4) . ?
C5 C6 1.387(4) . ?
C5 O3 1.394(4) . ?
C6 O2 1.340(3) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C7 O1 1.443(4) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 O3 1.451(3) . ?
Dy1 Dy1 3.8056(3) 2_666 ?
Dy1 N1 2.863(3) . ?
Dy1 N2 2.894(2) . ?
Dy1 O1 2.5082(19) 2_666 ?
Dy1 O1W 2.3711(19) . ?
Dy1 O2 2.2583(17) . ?
Dy1 O2 2.2837(16) 2_666 ?
Dy1 O3 2.4945(19) . ?
Dy1 O4 2.450(2) . ?
Dy1 O6 2.420(2) . ?
Dy1 O7 2.512(2) . ?
Dy1 O9 2.444(2) . ?
N1 O4 1.251(4) . ?
N1 O5 1.202(4) . ?
N1 O6 1.276(4) . ?
N2 O7 1.255(3) . ?
N2 O8 1.223(3) . ?
N2 O9 1.260(3) . ?
O1 Dy1 2.5082(19) 2_666 ?
O1W H1WA 0.8496 . ?
O1W H1WB 0.8500 . ?
O2 Dy1 2.2837(16) 2_666 ?
C9 C10 1.409(6) . ?
C9 N3 1.135(6) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 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
C2 C1 C6 121.0(3) . . ?
C2 C1 O1 125.8(3) . . ?
C6 C1 O1 113.1(2) . . ?
C1 C2 H2 120.7 . . ?
C1 C2 C3 118.6(3) . . ?
C3 C2 H2 120.7 . . ?
C2 C3 H3 119.1 . . ?
C4 C3 C2 121.8(3) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 H4 120.5 . . ?
C3 C4 C5 118.9(3) . . ?
C5 C4 H4 120.5 . . ?
C4 C5 C6 120.4(3) . . ?
C4 C5 O3 126.6(3) . . ?
C6 C5 O3 112.9(2) . . ?
C5 C6 C1 119.2(3) . . ?
O2 C6 C1 120.2(2) . . ?
O2 C6 C5 120.5(2) . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O1 C7 H7A 109.5 . . ?
O1 C7 H7B 109.5 . . ?
O1 C7 H7C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O3 C8 H8A 109.5 . . ?
O3 C8 H8B 109.5 . . ?
O3 C8 H8C 109.5 . . ?
N1 Dy1 Dy1 101.59(6) . 2_666 ?
N1 Dy1 N2 169.18(8) . . ?
N2 Dy1 Dy1 88.87(5) . 2_666 ?
O1 Dy1 Dy1 98.66(4) 2_666 2_666 ?
O1 Dy1 N1 79.83(8) 2_666 . ?
O1 Dy1 N2 96.03(7) 2_666 . ?
O1 Dy1 O7 120.70(7) 2_666 . ?
O1W Dy1 Dy1 162.16(5) . 2_666 ?
O1W Dy1 N1 96.16(8) . . ?
O1W Dy1 N2 73.49(7) . . ?
O1W Dy1 O1 86.08(8) . 2_666 ?
O1W Dy1 O3 82.52(8) . . ?
O1W Dy1 O4 121.46(7) . . ?
O1W Dy1 O6 70.11(8) . . ?
O1W Dy1 O7 71.37(7) . . ?
O1W Dy1 O9 77.24(8) . . ?
O2 Dy1 Dy1 32.87(4) 2_666 2_666 ?
O2 Dy1 Dy1 33.29(4) . 2_666 ?
O2 Dy1 N1 102.12(8) . . ?
O2 Dy1 N1 97.31(7) 2_666 . ?
O2 Dy1 N2 88.12(7) . . ?
O2 Dy1 N2 89.98(7) 2_666 . ?
O2 Dy1 O1 131.84(6) . 2_666 ?
O2 Dy1 O1 65.88(6) 2_666 2_666 ?
O2 Dy1 O1W 140.01(7) . . ?
O2 Dy1 O1W 145.97(8) 2_666 . ?
O2 Dy1 O2 66.17(7) . 2_666 ?
O2 Dy1 O3 130.66(6) 2_666 . ?
O2 Dy1 O3 66.51(6) . . ?
O2 Dy1 O4 78.01(7) 2_666 . ?
O2 Dy1 O4 78.79(7) . . ?
O2 Dy1 O6 124.69(7) . . ?
O2 Dy1 O6 117.16(7) 2_666 . ?
O2 Dy1 O7 105.75(7) 2_666 . ?
O2 Dy1 O7 76.87(7) . . ?
O2 Dy1 O9 75.61(7) 2_666 . ?
O2 Dy1 O9 101.12(7) . . ?
O3 Dy1 Dy1 98.89(5) . 2_666 ?
O3 Dy1 N1 79.63(8) . . ?
O3 Dy1 N2 101.66(7) . . ?
O3 Dy1 O1 155.23(7) . 2_666 ?
O3 Dy1 O7 76.07(7) . . ?
O4 Dy1 Dy1 76.11(5) . 2_666 ?
O4 Dy1 N1 25.76(8) . . ?
O4 Dy1 N2 164.94(7) . . ?
O4 Dy1 O1 87.39(8) . 2_666 ?
O4 Dy1 O3 80.03(8) . . ?
O4 Dy1 O7 151.05(8) . . ?
O6 Dy1 Dy1 127.71(5) . 2_666 ?
O6 Dy1 N1 26.28(8) . . ?
O6 Dy1 N2 143.01(7) . . ?
O6 Dy1 O1 75.34(8) . 2_666 ?
O6 Dy1 O3 80.11(8) . . ?
O6 Dy1 O4 52.02(8) . . ?
O6 Dy1 O7 136.73(7) . . ?
O6 Dy1 O9 134.05(8) . . ?
O7 Dy1 Dy1 91.61(5) . 2_666 ?
O7 Dy1 N1 153.86(7) . . ?
O7 Dy1 N2 25.61(7) . . ?
O9 Dy1 Dy1 88.01(5) . 2_666 ?
O9 Dy1 N1 150.32(8) . . ?
O9 Dy1 N2 25.56(7) . . ?
O9 Dy1 O1 70.93(7) . 2_666 ?
O9 Dy1 O3 127.02(7) . . ?
O9 Dy1 O4 150.97(8) . . ?
O9 Dy1 O7 51.14(7) . . ?
O4 N1 Dy1 58.35(15) . . ?
O4 N1 O6 115.4(2) . . ?
O5 N1 Dy1 176.8(3) . . ?
O5 N1 O4 123.1(3) . . ?
O5 N1 O6 121.4(3) . . ?
O6 N1 Dy1 57.13(14) . . ?
O7 N2 Dy1 59.93(13) . . ?
O7 N2 O9 116.7(2) . . ?
O8 N2 Dy1 176.04(19) . . ?
O8 N2 O7 122.3(3) . . ?
O8 N2 O9 121.1(3) . . ?
O9 N2 Dy1 56.84(13) . . ?
C1 O1 C7 117.2(3) . . ?
C1 O1 Dy1 115.56(15) . 2_666 ?
C7 O1 Dy1 125.9(2) . 2_666 ?
Dy1 O1W H1WA 125.2 . . ?
Dy1 O1W H1WB 120.2 . . ?
H1WA O1W H1WB 109.5 . . ?
C6 O2 Dy1 123.31(16) . . ?
C6 O2 Dy1 121.91(16) . 2_666 ?
Dy1 O2 Dy1 113.83(7) . 2_666 ?
C5 O3 C8 116.8(2) . . ?
C5 O3 Dy1 116.56(15) . . ?
C8 O3 Dy1 126.6(2) . . ?
N1 O4 Dy1 95.89(17) . . ?
N1 O6 Dy1 96.59(17) . . ?
N2 O7 Dy1 94.45(16) . . ?
N2 O9 Dy1 97.60(16) . . ?
N3 C9 C10 178.7(6) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 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
C1 C2 C3 C4 -0.2(5) . . . . ?
C1 C6 O2 Dy1 -176.78(18) . . . . ?
C1 C6 O2 Dy1 15.0(3) . . . 2_666 ?
C2 C1 C6 C5 -0.1(4) . . . . ?
C2 C1 C6 O2 -179.9(3) . . . . ?
C2 C1 O1 C7 -0.6(4) . . . . ?
C2 C1 O1 Dy1 166.9(2) . . . 2_666 ?
C2 C3 C4 C5 -0.4(5) . . . . ?
C3 C4 C5 C6 0.8(5) . . . . ?
C3 C4 C5 O3 -179.9(3) . . . . ?
C4 C5 C6 C1 -0.5(4) . . . . ?
C4 C5 C6 O2 179.2(2) . . . . ?
C4 C5 O3 C8 -0.4(4) . . . . ?
C4 C5 O3 Dy1 177.9(2) . . . . ?
C5 C6 O2 Dy1 -164.68(19) . . . 2_666 ?
C5 C6 O2 Dy1 3.5(3) . . . . ?
C6 C1 C2 C3 0.5(5) . . . . ?
C6 C1 O1 C7 179.3(3) . . . . ?
C6 C1 O1 Dy1 -13.2(3) . . . 2_666 ?
C6 C5 O3 C8 179.0(3) . . . . ?
C6 C5 O3 Dy1 -2.7(3) . . . . ?
O1 C1 C2 C3 -179.6(3) . . . . ?
O1 C1 C6 C5 180.0(2) . . . . ?
O1 C1 C6 O2 0.2(4) . . . . ?
O3 C5 C6 C1 -179.9(2) . . . . ?
O3 C5 C6 O2 -0.2(4) . . . . ?
O4 N1 O6 Dy1 2.7(3) . . . . ?
O5 N1 O4 Dy1 176.6(3) . . . . ?
O5 N1 O6 Dy1 -176.6(3) . . . . ?
O6 N1 O4 Dy1 -2.6(3) . . . . ?
O7 N2 O9 Dy1 -3.7(2) . . . . ?
O8 N2 O7 Dy1 -176.2(2) . . . . ?
O8 N2 O9 Dy1 176.0(2) . . . . ?
O9 N2 O7 Dy1 3.6(2) . . . . ?

_shelx_SHELXL_version_number     2014/7

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.344
_oxdiff_exptl_absorpt_empirical_full_min 0.655
####################################################################### 
# 
# 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_Dy9
_database_code_depnum_ccdc_archive 'CCDC 2085775'
loop_
_audit_author_name
_audit_author_address
'peng hu'
;Huazhong University of Science and Technology
China
;
_audit_update_record             
;
2021-08-16 deposited with the CCDC.	2021-08-24 downloaded from the CCDC.
;
_audit_creation_date             2021-07-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H52 Dy9 N8 O58 [+ solvent]'
_chemical_formula_sum            'C32 H52 Dy9 N8 O58 [+ solvent]'
_chemical_formula_weight         2939.32
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           23
_space_group_name_H-M_alt        'I 2 2 2'
_space_group_name_Hall           'I 2 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'

_cell_length_a                   15.308(3)
_cell_length_b                   17.963(4)
_cell_length_c                   18.627(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5122.0(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4494
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.105
_cell_measurement_theta_min      2.807
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.562
_exptl_absorpt_correction_T_max  0.592
_exptl_absorpt_correction_T_min  0.460
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.906
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2716.0
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_unetI/netI     0.1037
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            6907
_diffrn_reflns_point_group_measured_fraction_full 0.547
_diffrn_reflns_point_group_measured_fraction_max 0.539
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.105
_diffrn_reflns_theta_min         2.661
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    0.000
_reflns_Friedel_fraction_max     0.000
_reflns_number_gt                3630
_reflns_number_total             6907
_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       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXL (Sheldrick, 2015)'
_refine_diff_density_max         1.631
_refine_diff_density_min         -2.614
_refine_diff_density_rms         0.200
_refine_ls_abs_structure_details 
;
No quotients, so Flack parameter determined by classical intensity fit
;
_refine_ls_abs_structure_Flack   0.31(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     247
_refine_ls_number_reflns         3782
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0379
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.033
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0783P)²+16.5575P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1029
_refine_ls_wR_factor_ref         0.1037
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(N1) \\sim Ueq, Uanis(C5) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.04
Uanis(O5) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
3.a Rotating group:
 O1W(H1WA,H1WB), O7(H7A,H7B)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5)
3.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C8(H8A,H8B,H8C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6482(9) 0.7422(6) 0.1997(6) 0.066(3) Uani 1 1 d . . . . .
H1A H 0.6919 0.7441 0.2366 0.099 Uiso 1 1 calc GR . . . .
H1B H 0.6305 0.7918 0.1875 0.099 Uiso 1 1 calc GR . . . .
H1C H 0.6718 0.7181 0.1580 0.099 Uiso 1 1 calc GR . . . .
C2 C 0.4982(10) 0.6918(6) 0.1846(4) 0.054(2) Uani 1 1 d . . . . .
C3 C 0.4906(11) 0.7119(7) 0.1127(5) 0.067(3) Uani 1 1 d . . . . .
H3 H 0.5382 0.7324 0.0889 0.080 Uiso 1 1 calc R . . . .
C4 C 0.4140(11) 0.7016(8) 0.0771(6) 0.083(4) Uani 1 1 d . . . . .
H4 H 0.4087 0.7172 0.0296 0.099 Uiso 1 1 calc R . . . .
C5 C 0.3449(9) 0.6686(8) 0.1104(6) 0.066(3) Uani 1 1 d . U . . .
H5 H 0.2932 0.6614 0.0851 0.079 Uiso 1 1 calc R . . . .
C6 C 0.3502(7) 0.6455(6) 0.1812(5) 0.050(2) Uani 1 1 d . . . . .
C7 C 0.4290(7) 0.6582(5) 0.2188(4) 0.0446(19) Uani 1 1 d . . . . .
C8 C 0.2035(8) 0.6012(7) 0.1897(6) 0.063(3) Uani 1 1 d . . . . .
H8A H 0.2051 0.5612 0.1555 0.095 Uiso 1 1 calc GR . . . .
H8B H 0.1874 0.6465 0.1658 0.095 Uiso 1 1 calc GR . . . .
H8C H 0.1614 0.5900 0.2263 0.095 Uiso 1 1 calc GR . . . .
Dy1 Dy 0.34623(2) 0.55591(2) 0.34794(2) 0.03890(11) Uani 1 1 d . . . . .
Dy2 Dy 0.43100(3) 0.37046(2) 0.34846(2) 0.03954(11) Uani 1 1 d . . . . .
Dy3 Dy 0.5000 0.5000 0.5000 0.03027(13) Uani 1 4 d S T P . .
N1 N 0.2526(7) 0.6608(6) 0.4436(5) 0.066(3) Uani 1 1 d . U . . .
N2 N 0.4238(6) 0.2308(5) 0.4328(4) 0.0509(18) Uani 1 1 d . . . . .
O1 O 0.5715(6) 0.6996(4) 0.2261(4) 0.0521(16) Uani 1 1 d . . . . .
O1W O 0.2798(5) 0.3211(5) 0.3594(4) 0.0573(17) Uani 1 1 d . . . . .
H1WA H 0.2765 0.2670 0.3607 0.086 Uiso 1 1 d GR . . . .
H1WB H 0.2395 0.3348 0.3206 0.086 Uiso 1 1 d GR . . . .
O2 O 0.4382(5) 0.6373(3) 0.2874(3) 0.0430(13) Uani 1 1 d . . . . .
O3 O 0.2899(5) 0.6099(4) 0.2224(3) 0.0521(16) Uani 1 1 d . . . . .
O4 O 0.2781(6) 0.6800(5) 0.3799(4) 0.066(2) Uani 1 1 d . . . . .
O5 O 0.2202(7) 0.7080(5) 0.4848(6) 0.079(3) Uani 1 1 d . U . . .
O6 O 0.2640(5) 0.5930(5) 0.4636(3) 0.0576(19) Uani 1 1 d . . . . .
O7 O 0.1970(5) 0.5155(6) 0.3430(4) 0.072(2) Uani 1 1 d . . . . .
H7A H 0.1528 0.5290 0.3722 0.108 Uiso 1 1 d GR . . . .
H7B H 0.1727 0.4833 0.3118 0.108 Uiso 1 1 d GR . . . .
O8 O 0.3451(5) 0.4484(4) 0.2785(4) 0.0532(16) Uani 1 1 d . . . . .
O9 O 0.5000 0.5000 0.3334(3) 0.0379(15) Uani 1 2 d S T P . .
O10 O 0.3760(4) 0.4593(3) 0.4286(3) 0.0350(10) Uani 1 1 d . . . . .
O11 O 0.5465(3) 0.3964(3) 0.4284(3) 0.0342(10) Uani 1 1 d . . . . .
O12 O 0.4551(5) 0.2339(4) 0.3694(4) 0.0542(16) Uani 1 1 d . . . . .
O13 O 0.4041(5) 0.2932(4) 0.4627(3) 0.0518(16) Uani 1 1 d . . . . .
O14 O 0.4103(7) 0.1713(4) 0.4650(5) 0.068(2) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 O1 1.484(12) . ?
C2 C3 1.391(11) . ?
C2 C7 1.377(16) . ?
C2 O1 1.370(16) . ?
C3 H3 0.9300 . ?
C3 C4 1.36(2) . ?
C4 H4 0.9300 . ?
C4 C5 1.36(2) . ?
C5 H5 0.9300 . ?
C5 C6 1.385(13) . ?
C6 C7 1.413(14) . ?
C6 O3 1.360(13) . ?
C7 O2 1.339(8) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 O3 1.464(12) . ?
Dy1 Dy2 3.6576(9) 2_665 ?
Dy1 Dy2 3.5751(8) . ?
Dy1 Dy3 3.8173(6) . ?
Dy1 O2 2.322(6) . ?
Dy1 O3 2.675(6) . ?
Dy1 O4 2.533(8) . ?
Dy1 O6 2.583(7) . ?
Dy1 O7 2.399(9) . ?
Dy1 O8 2.324(7) . ?
Dy1 O9 2.5734(9) . ?
Dy1 O10 2.341(5) . ?
Dy1 O11 2.383(6) 2_665 ?
Dy2 Dy1 3.6576(9) 2_665 ?
Dy2 Dy3 3.8076(6) . ?
Dy2 O1 2.605(6) 2_665 ?
Dy2 O1W 2.487(8) . ?
Dy2 O2 2.307(6) 2_665 ?
Dy2 O8 2.322(7) . ?
Dy2 O9 2.5706(9) . ?
Dy2 O10 2.342(5) . ?
Dy2 O11 2.358(5) . ?
Dy2 O12 2.511(8) . ?
Dy2 O13 2.574(7) . ?
Dy3 Dy2 3.8076(6) 4_566 ?
Dy3 Dy2 3.8076(6) 3_656 ?
Dy3 Dy2 3.8076(6) 2_665 ?
Dy3 O10 2.430(6) . ?
Dy3 O10 2.430(6) 2_665 ?
Dy3 O10 2.430(6) 4_566 ?
Dy3 O10 2.430(6) 3_656 ?
Dy3 O11 2.397(6) 2_665 ?
Dy3 O11 2.397(6) 3_656 ?
Dy3 O11 2.397(6) . ?
Dy3 O11 2.397(6) 4_566 ?
N1 O4 1.297(13) . ?
N1 O5 1.247(13) . ?
N1 O6 1.286(13) . ?
N2 O12 1.277(11) . ?
N2 O13 1.286(11) . ?
N2 O14 1.242(11) . ?
O1 Dy2 2.605(6) 2_665 ?
O1W H1WA 0.9738 . ?
O1W H1WB 0.9830 . ?
O2 Dy2 2.307(6) 2_665 ?
O7 H7A 0.9007 . ?
O7 H7B 0.9008 . ?
O9 Dy1 2.5734(9) 2_665 ?
O9 Dy2 2.5706(9) 2_665 ?
O11 Dy1 2.383(5) 2_665 ?

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
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
C7 C2 C3 119.6(13) . . ?
O1 C2 C3 125.8(12) . . ?
O1 C2 C7 114.5(6) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.4(13) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.8 . . ?
C5 C4 C3 120.4(10) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 119.3 . . ?
C4 C5 C6 121.3(12) . . ?
C6 C5 H5 119.3 . . ?
C5 C6 C7 118.2(10) . . ?
O3 C6 C5 129.7(11) . . ?
O3 C6 C7 112.1(7) . . ?
C2 C7 C6 119.9(8) . . ?
O2 C7 C2 118.9(9) . . ?
O2 C7 C6 121.2(9) . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O3 C8 H8A 109.5 . . ?
O3 C8 H8B 109.5 . . ?
O3 C8 H8C 109.5 . . ?
Dy2 Dy1 Dy2 89.914(16) . 2_665 ?
Dy2 Dy1 Dy3 61.901(9) . . ?
Dy2 Dy1 Dy3 61.202(12) 2_665 . ?
O2 Dy1 Dy2 37.66(15) . 2_665 ?
O2 Dy1 Dy2 111.57(16) . . ?
O2 Dy1 Dy3 98.76(15) . . ?
O2 Dy1 O3 62.8(2) . . ?
O2 Dy1 O4 79.0(3) . . ?
O2 Dy1 O6 122.6(2) . . ?
O2 Dy1 O7 138.5(3) . . ?
O2 Dy1 O9 68.90(18) . . ?
O2 Dy1 O10 131.3(2) . . ?
O2 Dy1 O11 70.21(19) . 2_665 ?
O3 Dy1 Dy2 99.90(17) . 2_665 ?
O3 Dy1 Dy2 117.20(16) . . ?
O3 Dy1 Dy3 160.57(17) . . ?
O4 Dy1 Dy2 93.7(2) . 2_665 ?
O4 Dy1 Dy2 165.74(19) . . ?
O4 Dy1 Dy3 108.12(16) . . ?
O4 Dy1 O3 75.7(2) . . ?
O4 Dy1 O6 51.4(3) . . ?
O4 Dy1 O9 138.1(2) . . ?
O6 Dy1 Dy2 114.51(17) . . ?
O6 Dy1 Dy2 111.05(18) . 2_665 ?
O6 Dy1 Dy3 75.49(14) . . ?
O6 Dy1 O3 118.6(2) . . ?
O7 Dy1 Dy2 175.9(3) . 2_665 ?
O7 Dy1 Dy2 93.7(3) . . ?
O7 Dy1 Dy3 122.4(2) . . ?
O7 Dy1 O3 76.7(3) . . ?
O7 Dy1 O4 83.3(4) . . ?
O7 Dy1 O6 69.2(3) . . ?
O7 Dy1 O9 138.5(3) . . ?
O8 Dy1 Dy2 108.00(19) . 2_665 ?
O8 Dy1 Dy2 39.66(17) . . ?
O8 Dy1 Dy3 101.49(17) . . ?
O8 Dy1 O2 104.9(3) . . ?
O8 Dy1 O3 79.2(2) . . ?
O8 Dy1 O4 149.2(2) . . ?
O8 Dy1 O6 132.4(3) . . ?
O8 Dy1 O7 73.8(3) . . ?
O8 Dy1 O9 67.9(2) . . ?
O8 Dy1 O10 75.1(2) . . ?
O8 Dy1 O11 130.8(2) . 2_665 ?
O9 Dy1 Dy2 44.65(2) . 2_665 ?
O9 Dy1 Dy2 45.942(18) . . ?
O9 Dy1 Dy3 53.93(14) . . ?
O9 Dy1 O3 110.2(2) . . ?
O9 Dy1 O6 129.4(2) . . ?
O10 Dy1 Dy2 94.86(14) . 2_665 ?
O10 Dy1 Dy2 40.24(13) . . ?
O10 Dy1 Dy3 37.66(14) . . ?
O10 Dy1 O3 153.3(2) . . ?
O10 Dy1 O4 125.6(2) . . ?
O10 Dy1 O6 75.5(2) . . ?
O10 Dy1 O7 89.2(3) . . ?
O10 Dy1 O9 66.41(17) . . ?
O10 Dy1 O11 74.2(2) . 2_665 ?
O11 Dy1 Dy2 39.25(13) 2_665 2_665 ?
O11 Dy1 Dy2 94.76(13) 2_665 . ?
O11 Dy1 Dy3 37.14(14) 2_665 . ?
O11 Dy1 O3 129.9(2) 2_665 . ?
O11 Dy1 O4 79.6(2) 2_665 . ?
O11 Dy1 O6 73.7(2) 2_665 . ?
O11 Dy1 O7 142.1(2) 2_665 . ?
O11 Dy1 O9 64.90(17) 2_665 . ?
Dy1 Dy2 Dy1 90.085(16) . 2_665 ?
Dy1 Dy2 Dy3 62.177(12) . . ?
Dy1 Dy2 Dy3 61.470(9) 2_665 . ?
O1 Dy2 Dy1 100.73(18) 2_665 2_665 ?
O1 Dy2 Dy1 116.28(16) 2_665 . ?
O1 Dy2 Dy3 161.51(18) 2_665 . ?
O1W Dy2 Dy1 175.43(17) . 2_665 ?
O1W Dy2 Dy1 89.7(2) . . ?
O1W Dy2 Dy3 114.52(19) . . ?
O1W Dy2 O1 83.5(3) . 2_665 ?
O1W Dy2 O9 135.5(2) . . ?
O1W Dy2 O12 77.1(3) . . ?
O1W Dy2 O13 65.8(2) . . ?
O2 Dy2 Dy1 37.95(14) 2_665 2_665 ?
O2 Dy2 Dy1 111.70(15) 2_665 . ?
O2 Dy2 Dy3 99.31(14) 2_665 . ?
O2 Dy2 O1 63.4(2) 2_665 2_665 ?
O2 Dy2 O1W 145.8(2) 2_665 . ?
O2 Dy2 O8 104.5(3) 2_665 . ?
O2 Dy2 O9 69.16(17) 2_665 . ?
O2 Dy2 O10 131.9(2) 2_665 . ?
O2 Dy2 O11 70.91(19) 2_665 . ?
O2 Dy2 O12 83.7(2) 2_665 . ?
O2 Dy2 O13 121.0(3) 2_665 . ?
O8 Dy2 Dy1 39.72(17) . . ?
O8 Dy2 Dy1 108.0(2) . 2_665 ?
O8 Dy2 Dy3 101.82(17) . . ?
O8 Dy2 O1 78.0(2) . 2_665 ?
O8 Dy2 O1W 74.6(3) . . ?
O8 Dy2 O9 68.0(2) . . ?
O8 Dy2 O10 75.1(2) . . ?
O8 Dy2 O11 131.3(2) . . ?
O8 Dy2 O12 139.4(2) . . ?
O8 Dy2 O13 134.3(3) . . ?
O9 Dy2 Dy1 46.01(2) . . ?
O9 Dy2 Dy1 44.712(18) . 2_665 ?
O9 Dy2 Dy3 54.09(14) . . ?
O9 Dy2 O1 110.4(2) . 2_665 ?
O9 Dy2 O13 130.09(19) . . ?
O10 Dy2 Dy1 95.19(14) . 2_665 ?
O10 Dy2 Dy1 40.23(13) . . ?
O10 Dy2 Dy3 37.87(14) . . ?
O10 Dy2 O1 151.9(2) . 2_665 ?
O10 Dy2 O1W 81.7(2) . . ?
O10 Dy2 O9 66.45(17) . . ?
O10 Dy2 O11 74.5(2) . . ?
O10 Dy2 O12 128.3(2) . . ?
O10 Dy2 O13 77.4(2) . . ?
O11 Dy2 Dy1 39.76(13) . 2_665 ?
O11 Dy2 Dy1 95.14(13) . . ?
O11 Dy2 Dy3 37.16(14) . . ?
O11 Dy2 O1 131.3(2) . 2_665 ?
O11 Dy2 O1W 135.7(2) . . ?
O11 Dy2 O9 65.28(17) . . ?
O11 Dy2 O12 89.1(2) . . ?
O11 Dy2 O13 72.8(2) . . ?
O12 Dy2 Dy1 102.52(19) . 2_665 ?
O12 Dy2 Dy1 164.59(18) . . ?
O12 Dy2 Dy3 116.19(16) . . ?
O12 Dy2 O1 70.5(2) . 2_665 ?
O12 Dy2 O9 147.23(19) . . ?
O12 Dy2 O13 50.8(2) . . ?
O13 Dy2 Dy1 116.53(17) . . ?
O13 Dy2 Dy1 110.28(17) . 2_665 ?
O13 Dy2 Dy3 76.18(13) . . ?
O13 Dy2 O1 117.4(2) . 2_665 ?
Dy2 Dy3 Dy2 147.791(14) . 4_566 ?
Dy2 Dy3 Dy2 147.790(15) 3_656 2_665 ?
Dy2 Dy3 Dy2 104.660(19) . 3_656 ?
Dy2 Dy3 Dy2 84.307(19) 4_566 3_656 ?
Dy2 Dy3 Dy2 84.307(19) . 2_665 ?
Dy2 Dy3 Dy2 104.661(19) 4_566 2_665 ?
O10 Dy3 Dy2 115.99(13) 2_665 4_566 ?
O10 Dy3 Dy2 111.89(13) . 4_566 ?
O10 Dy3 Dy2 115.99(13) 4_566 2_665 ?
O10 Dy3 Dy2 36.27(13) 4_566 4_566 ?
O10 Dy3 Dy2 111.89(13) 3_656 2_665 ?
O10 Dy3 Dy2 89.72(13) 2_665 . ?
O10 Dy3 Dy2 36.27(13) . . ?
O10 Dy3 Dy2 115.99(13) . 3_656 ?
O10 Dy3 Dy2 89.72(13) . 2_665 ?
O10 Dy3 Dy2 36.27(13) 3_656 3_656 ?
O10 Dy3 Dy2 36.27(13) 2_665 2_665 ?
O10 Dy3 Dy2 111.89(13) 2_665 3_656 ?
O10 Dy3 Dy2 89.72(13) 3_656 4_566 ?
O10 Dy3 Dy2 89.72(13) 4_566 3_656 ?
O10 Dy3 Dy2 111.89(13) 4_566 . ?
O10 Dy3 Dy2 115.99(13) 3_656 . ?
O10 Dy3 O10 77.3(3) . 4_566 ?
O10 Dy3 O10 77.3(3) 3_656 2_665 ?
O10 Dy3 O10 113.7(2) . 2_665 ?
O10 Dy3 O10 144.9(3) . 3_656 ?
O10 Dy3 O10 144.9(3) 2_665 4_566 ?
O10 Dy3 O10 113.7(2) 3_656 4_566 ?
O11 Dy3 Dy2 165.71(13) 4_566 . ?
O11 Dy3 Dy2 88.83(13) 4_566 3_656 ?
O11 Dy3 Dy2 88.83(13) . 2_665 ?
O11 Dy3 Dy2 36.44(12) . . ?
O11 Dy3 Dy2 165.71(13) 2_665 3_656 ?
O11 Dy3 Dy2 81.71(13) 3_656 . ?
O11 Dy3 Dy2 36.44(12) 2_665 2_665 ?
O11 Dy3 Dy2 88.83(13) 2_665 . ?
O11 Dy3 Dy2 36.44(12) 3_656 3_656 ?
O11 Dy3 Dy2 36.44(12) 4_566 4_566 ?
O11 Dy3 Dy2 81.71(13) 4_566 2_665 ?
O11 Dy3 Dy2 165.71(13) . 4_566 ?
O11 Dy3 Dy2 165.71(13) 3_656 2_665 ?
O11 Dy3 Dy2 88.83(13) 3_656 4_566 ?
O11 Dy3 Dy2 81.71(13) 2_665 4_566 ?
O11 Dy3 Dy2 81.71(13) . 3_656 ?
O11 Dy3 O10 140.34(18) 2_665 3_656 ?
O11 Dy3 O10 72.40(19) 2_665 . ?
O11 Dy3 O10 140.33(18) . 4_566 ?
O11 Dy3 O10 140.34(18) 4_566 . ?
O11 Dy3 O10 80.73(18) . 3_656 ?
O11 Dy3 O10 72.16(18) . . ?
O11 Dy3 O10 80.73(18) 2_665 4_566 ?
O11 Dy3 O10 80.73(18) 4_566 2_665 ?
O11 Dy3 O10 72.40(19) 4_566 3_656 ?
O11 Dy3 O10 72.40(19) . 2_665 ?
O11 Dy3 O10 72.16(18) 4_566 4_566 ?
O11 Dy3 O10 140.34(18) 3_656 2_665 ?
O11 Dy3 O10 72.40(19) 3_656 4_566 ?
O11 Dy3 O10 72.16(18) 2_665 2_665 ?
O11 Dy3 O10 72.16(18) 3_656 3_656 ?
O11 Dy3 O10 80.73(18) 3_656 . ?
O11 Dy3 O11 145.5(3) 4_566 . ?
O11 Dy3 O11 112.4(3) . 2_665 ?
O11 Dy3 O11 78.2(3) . 3_656 ?
O11 Dy3 O11 145.5(3) 3_656 2_665 ?
O11 Dy3 O11 112.4(3) 4_566 3_656 ?
O11 Dy3 O11 78.2(3) 4_566 2_665 ?
O5 N1 O4 120.1(11) . . ?
O5 N1 O6 121.4(10) . . ?
O6 N1 O4 118.5(9) . . ?
O12 N2 O13 116.8(8) . . ?
O14 N2 O12 123.1(9) . . ?
O14 N2 O13 120.1(8) . . ?
C1 O1 Dy2 123.4(7) . 2_665 ?
C2 O1 C1 120.9(8) . . ?
C2 O1 Dy2 115.6(5) . 2_665 ?
Dy2 O1W H1WA 113.9 . . ?
Dy2 O1W H1WB 115.8 . . ?
H1WA O1W H1WB 103.6 . . ?
C7 O2 Dy1 125.2(6) . . ?
C7 O2 Dy2 125.4(6) . 2_665 ?
Dy2 O2 Dy1 104.4(2) 2_665 . ?
C6 O3 C8 115.4(8) . . ?
C6 O3 Dy1 116.4(5) . . ?
C8 O3 Dy1 128.0(7) . . ?
N1 O4 Dy1 96.0(6) . . ?
N1 O6 Dy1 93.9(5) . . ?
Dy1 O7 H7A 127.7 . . ?
Dy1 O7 H7B 127.7 . . ?
H7A O7 H7B 104.6 . . ?
Dy1 O8 Dy2 100.6(2) . . ?
Dy1 O9 Dy1 168.0(3) . 2_665 ?
Dy2 O9 Dy1 90.64(4) . 2_665 ?
Dy2 O9 Dy1 88.05(3) . . ?
Dy2 O9 Dy1 90.64(4) 2_665 . ?
Dy2 O9 Dy1 88.05(3) 2_665 2_665 ?
Dy2 O9 Dy2 167.5(3) . 2_665 ?
Dy1 O10 Dy3 106.3(2) . . ?
Dy2 O10 Dy1 99.5(2) . . ?
Dy2 O10 Dy3 105.9(2) . . ?
Dy1 O11 Dy3 106.0(2) 2_665 . ?
Dy2 O11 Dy1 101.0(2) . 2_665 ?
Dy2 O11 Dy3 106.4(2) . . ?
N2 O12 Dy2 97.5(6) . . ?
N2 O13 Dy2 94.3(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
C2 C3 C4 C5 -3(2) . . . . ?
C2 C7 O2 Dy1 -164.6(7) . . . . ?
C2 C7 O2 Dy2 -13.7(11) . . . 2_665 ?
C3 C2 C7 C6 -1.2(15) . . . . ?
C3 C2 C7 O2 178.1(9) . . . . ?
C3 C2 O1 C1 9.5(16) . . . . ?
C3 C2 O1 Dy2 -167.2(9) . . . 2_665 ?
C3 C4 C5 C6 1(2) . . . . ?
C4 C5 C6 C7 1.0(17) . . . . ?
C4 C5 C6 O3 -177.7(12) . . . . ?
C5 C6 C7 C2 -0.8(14) . . . . ?
C5 C6 C7 O2 179.9(9) . . . . ?
C5 C6 O3 C8 -6.9(15) . . . . ?
C5 C6 O3 Dy1 168.8(9) . . . . ?
C6 C7 O2 Dy1 14.7(11) . . . . ?
C6 C7 O2 Dy2 165.6(6) . . . 2_665 ?
C7 C2 C3 C4 3.1(18) . . . . ?
C7 C2 O1 C1 -173.2(8) . . . . ?
C7 C2 O1 Dy2 10.0(11) . . . 2_665 ?
C7 C6 O3 C8 174.3(8) . . . . ?
C7 C6 O3 Dy1 -10.1(10) . . . . ?
O1 C2 C3 C4 -179.8(12) . . . . ?
O1 C2 C7 C6 -178.7(8) . . . . ?
O1 C2 C7 O2 0.7(13) . . . . ?
O3 C6 C7 C2 178.2(8) . . . . ?
O3 C6 C7 O2 -1.1(13) . . . . ?
O4 N1 O6 Dy1 4.0(11) . . . . ?
O5 N1 O4 Dy1 173.7(10) . . . . ?
O5 N1 O6 Dy1 -173.8(11) . . . . ?
O6 N1 O4 Dy1 -4.1(11) . . . . ?
O12 N2 O13 Dy2 7.5(9) . . . . ?
O13 N2 O12 Dy2 -7.8(9) . . . . ?
O14 N2 O12 Dy2 170.5(9) . . . . ?
O14 N2 O13 Dy2 -170.8(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
