# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2176193'
_audit_update_record             
;
2022-05-31 deposited with the CCDC.	2022-09-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C68 H70 Dy4 N6 O20'
_chemical_formula_weight         1941.30

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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                   12.898(4)
_cell_length_b                   15.057(5)
_cell_length_c                   18.199(6)
_cell_angle_alpha                90
_cell_angle_beta                 103.649(4)
_cell_angle_gamma                90
_cell_volume                     3434.5(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4139
_cell_measurement_theta_min      2.58
_cell_measurement_theta_max      21.76

_exptl_crystal_description       Cuboid
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.877
_exptl_crystal_F_000             1888
_exptl_transmission_factor_min   0.506
_exptl_transmission_factor_max   0.579
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    4.379
_shelx_estimated_absorpt_T_min   0.506
_shelx_estimated_absorpt_T_max   0.579
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24211
_diffrn_reflns_av_unetI/netI     0.0568
_diffrn_reflns_av_R_equivalents  0.0581
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.756
_diffrn_reflns_theta_max         25.447
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             6305
_reflns_number_gt                4293
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0720P)²+0.1000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6305
_refine_ls_number_parameters     450
_refine_ls_number_restraints     38
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0432
_refine_ls_wR_factor_ref         0.1298
_refine_ls_wR_factor_gt          0.1084
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_restrained_S_all      1.004
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.4670(9) 0.9080(6) 0.6521(5) 0.068(3) Uani 1 1 d . . . . .
C2 C 0.4049(11) 0.9163(7) 0.5782(6) 0.082(3) Uani 1 1 d . . . . .
C3 C 0.4525(14) 0.8985(10) 0.5185(6) 0.116(5) Uani 1 1 d . . . . .
H3 H 0.4136 0.9076 0.4691 0.139 Uiso 1 1 calc R U . . .
C4 C 0.5594(14) 0.8668(9) 0.5313(7) 0.110(4) Uani 1 1 d . . . . .
H4 H 0.5881 0.8507 0.4909 0.133 Uiso 1 1 calc R U . . .
C5 C 0.6183(11) 0.8606(8) 0.6027(6) 0.096(4) Uani 1 1 d . . . . .
H5 H 0.6890 0.8422 0.6117 0.115 Uiso 1 1 calc R U . . .
C6 C 0.5733(10) 0.8816(6) 0.6640(5) 0.074(3) Uani 1 1 d . . . . .
C7 C 0.6393(9) 0.8671(6) 0.7369(6) 0.074(3) Uani 1 1 d . . . . .
H7 H 0.7045 0.8399 0.7386 0.088 Uiso 1 1 calc R U . . .
C8 C 0.6950(7) 0.8611(6) 0.8696(5) 0.060(2) Uani 1 1 d . . . . .
C9 C 0.8026(8) 0.8482(7) 0.8784(6) 0.076(3) Uani 1 1 d . . . . .
H9 H 0.8343 0.8597 0.8384 0.092 Uiso 1 1 calc R U . . .
C10 C 0.8626(8) 0.8188(7) 0.9454(6) 0.078(3) Uani 1 1 d . . . . .
H10 H 0.9350 0.8081 0.9506 0.094 Uiso 1 1 calc R U . . .
C11 C 0.8182(8) 0.8047(7) 1.0052(6) 0.080(3) Uani 1 1 d . . . . .
H11 H 0.8608 0.7857 1.0511 0.095 Uiso 1 1 calc R U . . .
C12 C 0.7090(7) 0.8185(6) 0.9983(5) 0.064(2) Uani 1 1 d . . . . .
H12 H 0.6788 0.8077 1.0391 0.077 Uiso 1 1 calc R U . . .
C13 C 0.6459(7) 0.8488(6) 0.9297(5) 0.055(2) Uani 1 1 d . . . . .
C14 C 0.2397(12) 0.9381(11) 0.4973(7) 0.125(5) Uani 1 1 d D . . . .
H14A H 0.2466 0.8801 0.4759 0.150 Uiso 1 1 calc R U . . .
H14B H 0.2624 0.9827 0.4660 0.150 Uiso 1 1 calc R U . . .
C15 C 0.1304(13) 0.9536(15) 0.5006(10) 0.203(9) Uani 1 1 d D . . . .
H15A H 0.1173 0.9263 0.5452 0.304 Uiso 1 1 calc R U . . .
H15B H 0.0833 0.9286 0.4566 0.304 Uiso 1 1 calc R U . . .
H15C H 0.1178 1.0164 0.5021 0.304 Uiso 1 1 calc R U . . .
C16 C 0.6931(7) 1.0833(6) 0.8655(5) 0.054(2) Uani 1 1 d . . . . .
C17 C 0.6662(8) 1.0968(6) 0.7865(5) 0.065(2) Uani 1 1 d . . . . .
C18 C 0.7387(9) 1.1266(7) 0.7488(6) 0.078(3) Uani 1 1 d . . . . .
H18 H 0.7192 1.1371 0.6970 0.094 Uiso 1 1 calc R U . . .
C19 C 0.8435(10) 1.1411(8) 0.7901(7) 0.098(4) Uani 1 1 d . . . . .
H19 H 0.8950 1.1599 0.7654 0.117 Uiso 1 1 calc R U . . .
C20 C 0.8708(8) 1.1275(7) 0.8670(6) 0.078(3) Uani 1 1 d . . . . .
H20 H 0.9406 1.1380 0.8936 0.093 Uiso 1 1 calc R U . . .
C21 C 0.7966(7) 1.0987(6) 0.9055(5) 0.062(2) Uani 1 1 d . . . . .
C22 C 0.8324(8) 1.0883(6) 0.9848(6) 0.071(3) Uani 1 1 d . . . . .
H22 H 0.9060 1.0885 1.0035 0.085 Uiso 1 1 calc R U . . .
C23 C 0.1727(7) 0.9294(6) 0.8877(5) 0.061(2) Uani 1 1 d . . . . .
C24 C 0.0676(8) 0.9573(7) 0.8595(7) 0.076(3) Uani 1 1 d . . . . .
H24 H 0.0269 0.9766 0.8924 0.091 Uiso 1 1 calc R U . . .
C25 C 0.0242(9) 0.9561(7) 0.7822(7) 0.089(4) Uani 1 1 d . . . . .
H25 H -0.0460 0.9744 0.7640 0.107 Uiso 1 1 calc R U . . .
C26 C 0.0793(10) 0.9300(8) 0.7336(6) 0.085(3) Uani 1 1 d . . . . .
H26 H 0.0475 0.9278 0.6821 0.102 Uiso 1 1 calc R U . . .
C27 C 0.1840(9) 0.9061(6) 0.7597(6) 0.073(3) Uani 1 1 d . . . . .
H27 H 0.2231 0.8897 0.7250 0.087 Uiso 1 1 calc R U . . .
C28 C 0.2340(7) 0.9053(6) 0.8360(5) 0.057(2) Uani 1 1 d . . . . .
C29 C 0.5114(9) 1.1247(7) 0.6853(5) 0.081(3) Uani 1 1 d . . . . .
H29A H 0.4443 1.0961 0.6619 0.097 Uiso 1 1 calc R U . . .
H29B H 0.5570 1.1218 0.6499 0.097 Uiso 1 1 calc R U . . .
C30 C 0.4909(10) 1.2196(7) 0.7005(7) 0.109(4) Uani 1 1 d . . . . .
H30A H 0.4261 1.2241 0.7176 0.164 Uiso 1 1 calc R U . . .
H30B H 0.4843 1.2536 0.6550 0.164 Uiso 1 1 calc R U . . .
H30C H 0.5493 1.2423 0.7389 0.164 Uiso 1 1 calc R U . . .
C31 C 0.4176(12) 0.7215(10) 1.0590(8) 0.122(3) Uani 1 1 d . U . . .
H31 H 0.4130 0.6687 1.0845 0.146 Uiso 1 1 calc R U . . .
C32 C 0.2649(10) 1.0937(7) 0.7301(7) 0.086(3) Uani 1 1 d . U . . .
H32 H 0.2648 1.0614 0.6865 0.103 Uiso 1 1 calc R U . . .
C33 C 0.1001(11) 1.1596(10) 0.6595(7) 0.128(5) Uani 1 1 d . . . . .
H33A H 0.1237 1.1395 0.6161 0.192 Uiso 1 1 calc R U . . .
H33B H 0.0793 1.2208 0.6528 0.192 Uiso 1 1 calc R U . . .
H33C H 0.0403 1.1246 0.6652 0.192 Uiso 1 1 calc R U . . .
C34 C 0.1749(11) 1.1965(9) 0.7906(8) 0.128(5) Uani 1 1 d . . . . .
H34A H 0.1555 1.1557 0.8256 0.191 Uiso 1 1 calc R U . . .
H34B H 0.1201 1.2407 0.7763 0.191 Uiso 1 1 calc R U . . .
H34C H 0.2411 1.2248 0.8140 0.191 Uiso 1 1 calc R U . . .
Dy1 Dy 0.47089(3) 0.97114(3) 0.82595(2) 0.05175(15) Uani 1 1 d . . . . .
Dy2 Dy 0.42043(3) 0.89118(3) 0.99336(2) 0.04931(15) Uani 1 1 d . . . . .
H1 H 0.373(3) 1.052(5) 0.924(4) 0.06(3) Uiso 1 1 d D . . . .
N1 N 0.6206(6) 0.8867(5) 0.8007(4) 0.0593(19) Uani 1 1 d . . . . .
N2 N 0.2232(5) 0.9213(5) 0.9653(4) 0.0559(18) Uani 1 1 d . . . . .
N3 N 0.1862(7) 1.1505(6) 0.7265(5) 0.073(2) Uani 1 1 d . . . . .
O1 O 0.4199(5) 0.9242(4) 0.7088(3) 0.0684(17) Uani 1 1 d . . . . .
O2 O 0.5413(4) 0.8654(4) 0.9204(3) 0.0538(14) Uani 1 1 d . . . . .
O3 O 0.3015(7) 0.9428(7) 0.5706(4) 0.110(3) Uani 1 1 d . . . . .
O4 O 0.6151(4) 1.0539(4) 0.8970(3) 0.0511(13) Uani 1 1 d . . . . .
O5 O 0.3380(5) 0.8850(4) 0.8624(3) 0.0548(14) Uani 1 1 d . . . . .
O6 O 0.5611(5) 1.0776(4) 0.7530(3) 0.0672(17) Uani 1 1 d . . . . .
O7 O 0.4327(4) 1.0315(4) 0.9391(3) 0.0471(13) Uani 1 1 d D . . . .
O8 O 0.3388(5) 1.0791(4) 0.7857(4) 0.0709(17) Uani 1 1 d . . . . .
O9 O 0.5102(6) 0.7760(5) 1.0793(4) 0.098(2) Uani 1 1 d . U . . .
O10 O 0.3374(6) 0.7482(5) 1.0023(5) 0.100(2) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.337(11) . ?
C1 C6 1.395(15) . ?
C1 C2 1.400(14) . ?
C2 O3 1.368(14) . ?
C2 C3 1.394(16) . ?
C3 C4 1.425(18) . ?
C3 H3 0.9300 . ?
C4 C5 1.345(16) . ?
C4 H4 0.9300 . ?
C5 C6 1.409(14) . ?
C5 H5 0.9300 . ?
C6 C7 1.415(14) . ?
C7 N1 1.274(11) . ?
C7 H7 0.9300 . ?
C8 C9 1.373(12) . ?
C8 C13 1.399(12) . ?
C8 N1 1.441(11) . ?
C9 C10 1.356(13) . ?
C9 H9 0.9300 . ?
C10 C11 1.361(14) . ?
C10 H10 0.9300 . ?
C11 C12 1.400(12) . ?
C11 H11 0.9300 . ?
C12 C13 1.397(12) . ?
C12 H12 0.9300 . ?
C13 O2 1.342(10) . ?
C14 O3 1.385(13) . ?
C14 C15 1.444(9) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 O4 1.344(9) . ?
C16 C21 1.381(12) . ?
C16 C17 1.412(12) . ?
C17 C18 1.361(13) . ?
C17 O6 1.379(11) . ?
C18 C19 1.400(15) . ?
C18 H18 0.9300 . ?
C19 C20 1.375(15) . ?
C19 H19 0.9300 . ?
C20 C21 1.383(12) . ?
C20 H20 0.9300 . ?
C21 C22 1.417(13) . ?
C22 N2 1.291(11) 3_677 ?
C22 H22 0.9300 . ?
C23 C24 1.396(13) . ?
C23 C28 1.412(13) . ?
C23 N2 1.414(11) . ?
C24 C25 1.387(15) . ?
C24 H24 0.9300 . ?
C25 C26 1.319(15) . ?
C25 H25 0.9300 . ?
C26 C27 1.370(15) . ?
C26 H26 0.9300 . ?
C27 C28 1.386(12) . ?
C27 H27 0.9300 . ?
C28 O5 1.348(10) . ?
C29 O6 1.435(10) . ?
C29 C30 1.491(14) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 O10 1.338(15) . ?
C31 O9 1.424(16) . ?
C31 Dy2 2.823(16) . ?
C31 H31 0.9300 . ?
C32 O8 1.235(12) . ?
C32 N3 1.317(13) . ?
C32 H32 0.9300 . ?
C33 N3 1.449(13) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 N3 1.394(14) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
Dy1 O1 2.194(6) . ?
Dy1 O8 2.344(6) . ?
Dy1 O4 2.356(5) . ?
Dy1 O2 2.361(5) . ?
Dy1 O5 2.366(5) . ?
Dy1 O7 2.406(5) . ?
Dy1 N1 2.444(7) . ?
Dy1 O6 2.534(6) . ?
Dy1 Dy2 3.4772(10) . ?
Dy1 Dy2 3.8602(10) 3_677 ?
Dy2 O4 2.303(5) 3_677 ?
Dy2 O2 2.307(5) . ?
Dy2 O7 2.314(6) 3_677 ?
Dy2 O7 2.353(5) . ?
Dy2 O5 2.371(6) . ?
Dy2 O10 2.427(8) . ?
Dy2 O9 2.437(7) . ?
Dy2 N2 2.515(7) . ?
Dy2 Dy2 3.8441(12) 3_677 ?
Dy2 Dy1 3.8602(10) 3_677 ?
N2 C22 1.291(11) 3_677 ?
O4 Dy2 2.303(5) 3_677 ?
O7 Dy2 2.314(5) 3_677 ?
O7 H1 0.817(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 C6 122.8(9) . . ?
O1 C1 C2 117.7(11) . . ?
C6 C1 C2 119.5(10) . . ?
O3 C2 C3 125.2(11) . . ?
O3 C2 C1 116.4(10) . . ?
C3 C2 C1 118.4(12) . . ?
C2 C3 C4 121.6(12) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
C5 C4 C3 119.0(12) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C4 C5 C6 120.3(13) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C5 121.0(10) . . ?
C1 C6 C7 122.7(9) . . ?
C5 C6 C7 116.1(11) . . ?
N1 C7 C6 128.2(10) . . ?
N1 C7 H7 115.9 . . ?
C6 C7 H7 115.9 . . ?
C9 C8 C13 121.5(9) . . ?
C9 C8 N1 125.9(9) . . ?
C13 C8 N1 112.6(8) . . ?
C10 C9 C8 119.8(10) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 C11 120.8(9) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 H10 119.6 . . ?
C10 C11 C12 120.7(9) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C13 C12 C11 119.4(9) . . ?
C13 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
O2 C13 C12 122.0(8) . . ?
O2 C13 C8 120.2(8) . . ?
C12 C13 C8 117.8(8) . . ?
O3 C14 C15 107.4(13) . . ?
O3 C14 H14A 110.2 . . ?
C15 C14 H14A 110.2 . . ?
O3 C14 H14B 110.2 . . ?
C15 C14 H14B 110.2 . . ?
H14A C14 H14B 108.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O4 C16 C21 123.9(8) . . ?
O4 C16 C17 116.9(8) . . ?
C21 C16 C17 119.1(8) . . ?
C18 C17 O6 124.5(9) . . ?
C18 C17 C16 121.9(10) . . ?
O6 C17 C16 113.6(8) . . ?
C17 C18 C19 118.2(10) . . ?
C17 C18 H18 120.9 . . ?
C19 C18 H18 120.9 . . ?
C20 C19 C18 120.4(10) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C21 121.4(11) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 H20 119.3 . . ?
C16 C21 C20 119.0(9) . . ?
C16 C21 C22 124.1(8) . . ?
C20 C21 C22 116.9(9) . . ?
N2 C22 C21 128.9(9) 3_677 . ?
N2 C22 H22 115.6 3_677 . ?
C21 C22 H22 115.6 . . ?
C24 C23 C28 118.7(9) . . ?
C24 C23 N2 124.9(9) . . ?
C28 C23 N2 116.4(8) . . ?
C25 C24 C23 119.5(10) . . ?
C25 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C26 C25 C24 122.2(11) . . ?
C26 C25 H25 118.9 . . ?
C24 C25 H25 118.9 . . ?
C25 C26 C27 119.2(11) . . ?
C25 C26 H26 120.4 . . ?
C27 C26 H26 120.4 . . ?
C26 C27 C28 122.6(11) . . ?
C26 C27 H27 118.7 . . ?
C28 C27 H27 118.7 . . ?
O5 C28 C27 123.2(9) . . ?
O5 C28 C23 119.2(8) . . ?
C27 C28 C23 117.6(9) . . ?
O6 C29 C30 112.1(9) . . ?
O6 C29 H29A 109.2 . . ?
C30 C29 H29A 109.2 . . ?
O6 C29 H29B 109.2 . . ?
C30 C29 H29B 109.2 . . ?
H29A C29 H29B 107.9 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O10 C31 O9 118.4(13) . . ?
O10 C31 Dy2 59.2(7) . . ?
O9 C31 Dy2 59.7(6) . . ?
O10 C31 H31 120.8 . . ?
O9 C31 H31 120.8 . . ?
Dy2 C31 H31 173.6 . . ?
O8 C32 N3 126.3(11) . . ?
O8 C32 H32 116.8 . . ?
N3 C32 H32 116.8 . . ?
N3 C33 H33A 109.5 . . ?
N3 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
N3 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N3 C34 H34A 109.5 . . ?
N3 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
N3 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O1 Dy1 O8 83.7(2) . . ?
O1 Dy1 O4 136.1(2) . . ?
O8 Dy1 O4 103.1(2) . . ?
O1 Dy1 O2 117.7(2) . . ?
O8 Dy1 O2 145.2(2) . . ?
O4 Dy1 O2 80.73(19) . . ?
O1 Dy1 O5 91.4(2) . . ?
O8 Dy1 O5 86.9(2) . . ?
O4 Dy1 O5 131.80(18) . . ?
O2 Dy1 O5 66.81(19) . . ?
O1 Dy1 O7 151.4(2) . . ?
O8 Dy1 O7 74.0(2) . . ?
O4 Dy1 O7 67.97(18) . . ?
O2 Dy1 O7 75.68(18) . . ?
O5 Dy1 O7 70.04(18) . . ?
O1 Dy1 N1 73.7(2) . . ?
O8 Dy1 N1 148.2(2) . . ?
O4 Dy1 N1 79.8(2) . . ?
O2 Dy1 N1 66.5(2) . . ?
O5 Dy1 N1 115.1(2) . . ?
O7 Dy1 N1 133.5(2) . . ?
O1 Dy1 O6 76.4(2) . . ?
O8 Dy1 O6 77.7(2) . . ?
O4 Dy1 O6 63.40(19) . . ?
O2 Dy1 O6 131.5(2) . . ?
O5 Dy1 O6 161.2(2) . . ?
O7 Dy1 O6 114.96(19) . . ?
N1 Dy1 O6 75.5(2) . . ?
O1 Dy1 Dy2 131.64(16) . . ?
O8 Dy1 Dy2 103.97(16) . . ?
O4 Dy1 Dy2 89.37(12) . . ?
O2 Dy1 Dy2 41.26(13) . . ?
O5 Dy1 Dy2 42.84(13) . . ?
O7 Dy1 Dy2 42.46(13) . . ?
N1 Dy1 Dy2 107.70(16) . . ?
O6 Dy1 Dy2 151.96(14) . . ?
O1 Dy1 Dy2 165.02(16) . 3_677 ?
O8 Dy1 Dy2 89.13(16) . 3_677 ?
O4 Dy1 Dy2 33.62(12) . 3_677 ?
O2 Dy1 Dy2 75.05(13) . 3_677 ?
O5 Dy1 Dy2 101.36(13) . 3_677 ?
O7 Dy1 Dy2 34.36(13) . 3_677 ?
N1 Dy1 Dy2 107.19(17) . 3_677 ?
O6 Dy1 Dy2 89.28(14) . 3_677 ?
Dy2 Dy1 Dy2 62.93(2) . 3_677 ?
O4 Dy2 O2 149.18(19) 3_677 . ?
O4 Dy2 O7 70.42(19) 3_677 3_677 ?
O2 Dy2 O7 79.08(19) . 3_677 ?
O4 Dy2 O7 95.05(19) 3_677 . ?
O2 Dy2 O7 77.75(19) . . ?
O7 Dy2 O7 69.1(2) 3_677 . ?
O4 Dy2 O5 138.65(19) 3_677 . ?
O2 Dy2 O5 67.58(19) . . ?
O7 Dy2 O5 132.08(18) 3_677 . ?
O7 Dy2 O5 70.86(18) . . ?
O4 Dy2 O10 94.5(2) 3_677 . ?
O2 Dy2 O10 105.0(2) . . ?
O7 Dy2 O10 136.8(2) 3_677 . ?
O7 Dy2 O10 154.0(2) . . ?
O5 Dy2 O10 86.1(2) . . ?
O4 Dy2 O9 82.0(2) 3_677 . ?
O2 Dy2 O9 88.1(2) . . ?
O7 Dy2 O9 79.2(3) 3_677 . ?
O7 Dy2 O9 147.1(3) . . ?
O5 Dy2 O9 130.5(2) . . ?
O10 Dy2 O9 58.4(3) . . ?
O4 Dy2 N2 73.3(2) 3_677 . ?
O2 Dy2 N2 134.6(2) . . ?
O7 Dy2 N2 132.8(2) 3_677 . ?
O7 Dy2 N2 85.3(2) . . ?
O5 Dy2 N2 67.1(2) . . ?
O10 Dy2 N2 74.5(3) . . ?
O9 Dy2 N2 124.3(3) . . ?
O4 Dy2 C31 86.2(3) 3_677 . ?
O2 Dy2 C31 99.8(3) . . ?
O7 Dy2 C31 108.7(3) 3_677 . ?
O7 Dy2 C31 176.9(3) . . ?
O5 Dy2 C31 110.0(3) . . ?
O10 Dy2 C31 28.3(3) . . ?
O9 Dy2 C31 30.3(3) . . ?
N2 Dy2 C31 97.8(3) . . ?
O4 Dy2 Dy1 138.71(14) 3_677 . ?
O2 Dy2 Dy1 42.45(13) . . ?
O7 Dy2 Dy1 89.54(13) 3_677 . ?
O7 Dy2 Dy1 43.66(13) . . ?
O5 Dy2 Dy1 42.72(13) . . ?
O10 Dy2 Dy1 122.9(2) . . ?
O9 Dy2 Dy1 130.54(18) . . ?
N2 Dy2 Dy1 98.58(17) . . ?
C31 Dy2 Dy1 135.0(3) . . ?
O4 Dy2 Dy2 81.50(13) 3_677 3_677 ?
O2 Dy2 Dy2 75.89(14) . 3_677 ?
O7 Dy2 Dy2 34.87(13) 3_677 3_677 ?
O7 Dy2 Dy2 34.22(14) . 3_677 ?
O5 Dy2 Dy2 101.70(13) . 3_677 ?
O10 Dy2 Dy2 171.7(2) . 3_677 ?
O9 Dy2 Dy2 113.6(2) . 3_677 ?
N2 Dy2 Dy2 111.00(16) . 3_677 ?
C31 Dy2 Dy2 143.6(3) . 3_677 ?
Dy1 Dy2 Dy2 63.408(15) . 3_677 ?
O4 Dy2 Dy1 34.51(13) 3_677 3_677 ?
O2 Dy2 Dy1 114.95(14) . 3_677 ?
O7 Dy2 Dy1 35.93(13) 3_677 3_677 ?
O7 Dy2 Dy1 80.12(13) . 3_677 ?
O5 Dy2 Dy1 149.74(13) . 3_677 ?
O10 Dy2 Dy1 119.8(2) . 3_677 ?
O9 Dy2 Dy1 79.3(2) . 3_677 ?
N2 Dy2 Dy1 102.86(16) . 3_677 ?
C31 Dy2 Dy1 99.4(3) . 3_677 ?
Dy1 Dy2 Dy1 117.07(2) . 3_677 ?
Dy2 Dy2 Dy1 53.659(16) 3_677 3_677 ?
C7 N1 C8 120.0(8) . . ?
C7 N1 Dy1 128.3(7) . . ?
C8 N1 Dy1 111.7(5) . . ?
C22 N2 C23 120.7(8) 3_677 . ?
C22 N2 Dy2 122.7(7) 3_677 . ?
C23 N2 Dy2 115.1(5) . . ?
C32 N3 C34 120.9(10) . . ?
C32 N3 C33 122.1(11) . . ?
C34 N3 C33 116.5(10) . . ?
C1 O1 Dy1 136.2(6) . . ?
C13 O2 Dy2 138.9(5) . . ?
C13 O2 Dy1 114.8(5) . . ?
Dy2 O2 Dy1 96.3(2) . . ?
C2 O3 C14 114.1(10) . . ?
C16 O4 Dy2 125.0(5) . 3_677 ?
C16 O4 Dy1 120.9(5) . . ?
Dy2 O4 Dy1 111.9(2) 3_677 . ?
C28 O5 Dy1 120.1(5) . . ?
C28 O5 Dy2 121.5(5) . . ?
Dy1 O5 Dy2 94.4(2) . . ?
C17 O6 C29 118.1(7) . . ?
C17 O6 Dy1 115.1(5) . . ?
C29 O6 Dy1 126.5(6) . . ?
Dy2 O7 Dy2 110.9(2) 3_677 . ?
Dy2 O7 Dy1 109.7(2) 3_677 . ?
Dy2 O7 Dy1 93.89(19) . . ?
Dy2 O7 H1 125(6) 3_677 . ?
Dy2 O7 H1 110(6) . . ?
Dy1 O7 H1 102(6) . . ?
C32 O8 Dy1 138.0(7) . . ?
C31 O9 Dy2 90.1(7) . . ?
C31 O10 Dy2 92.6(8) . . ?

_refine_diff_density_max         1.339
_refine_diff_density_min         -0.629
_refine_diff_density_rms         0.132



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

data_3
_database_code_depnum_ccdc_archive 'CCDC 2176194'
_audit_update_record             
;
2022-05-31 deposited with the CCDC.	2022-09-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H78 Dy4 N6 O20'
_chemical_formula_weight         1997.40

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.8872(15)
_cell_length_b                   18.419(2)
_cell_length_c                   16.980(2)
_cell_angle_alpha                90
_cell_angle_beta                 104.493(2)
_cell_angle_gamma                90
_cell_volume                     3599.4(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9279
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      25.11

_exptl_crystal_description       Cuboid
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.843
_exptl_crystal_F_000             1952
_exptl_transmission_factor_min   0.520
_exptl_transmission_factor_max   0.592
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    4.181
_shelx_estimated_absorpt_T_min   0.520
_shelx_estimated_absorpt_T_max   0.592
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24429
_diffrn_reflns_av_unetI/netI     0.0382
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.660
_diffrn_reflns_theta_max         25.216
_diffrn_reflns_theta_full        25.216
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.983
_reflns_number_total             6385
_reflns_number_gt                5165
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0540P)²+0.1000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6385
_refine_ls_number_parameters     469
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0294
_refine_ls_wR_factor_ref         0.0866
_refine_ls_wR_factor_gt          0.0764
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_restrained_S_all      1.006
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.3124(5) 1.0314(3) 0.6153(3) 0.0421(14) Uani 1 1 d . . . . .
C2 C 0.3084(6) 1.0008(3) 0.5384(3) 0.0452(15) Uani 1 1 d . . . . .
C3 C 0.2299(6) 1.0260(4) 0.4689(4) 0.0591(18) Uani 1 1 d . . . . .
H3 H 0.2277 1.0050 0.4187 0.071 Uiso 1 1 calc R U . . .
C4 C 0.1551(6) 1.0823(4) 0.4740(4) 0.0615(19) Uani 1 1 d . . . . .
H4 H 0.1032 1.0994 0.4272 0.074 Uiso 1 1 calc R U . . .
C5 C 0.1574(6) 1.1126(3) 0.5469(4) 0.0552(17) Uani 1 1 d . . . . .
H5 H 0.1072 1.1508 0.5493 0.066 Uiso 1 1 calc R U . . .
C6 C 0.2339(5) 1.0879(3) 0.6194(3) 0.0425(14) Uani 1 1 d . . . . .
C7 C 0.2321(5) 1.1251(3) 0.6941(3) 0.0449(14) Uani 1 1 d . . . . .
H7 H 0.1886 1.1676 0.6896 0.054 Uiso 1 1 calc R U . . .
C8 C 0.2802(5) 1.1479(3) 0.8344(3) 0.0372(13) Uani 1 1 d . . . . .
C9 C 0.1842(5) 1.1875(3) 0.8418(4) 0.0428(14) Uani 1 1 d . . . . .
H9 H 0.1162 1.1865 0.8003 0.051 Uiso 1 1 calc R U . . .
C10 C 0.1892(5) 1.2280(3) 0.9097(4) 0.0484(15) Uani 1 1 d . . . . .
H10 H 0.1244 1.2541 0.9148 0.058 Uiso 1 1 calc R U . . .
C11 C 0.2898(6) 1.2301(3) 0.9704(4) 0.0487(16) Uani 1 1 d . . . . .
H11 H 0.2937 1.2593 1.0158 0.058 Uiso 1 1 calc R U . . .
C12 C 0.3856(5) 1.1896(3) 0.9654(3) 0.0381(13) Uani 1 1 d . . . . .
H12 H 0.4535 1.1920 1.0068 0.046 Uiso 1 1 calc R U . . .
C13 C 0.3806(5) 1.1452(3) 0.8982(3) 0.0337(12) Uani 1 1 d . . . . .
C14 C 0.4006(7) 0.9207(4) 0.4633(4) 0.065(2) Uani 1 1 d . . . . .
H14A H 0.4271 0.9600 0.4344 0.077 Uiso 1 1 calc R U . . .
H14B H 0.3278 0.9023 0.4297 0.077 Uiso 1 1 calc R U . . .
C15 C 0.4894(7) 0.8615(4) 0.4812(4) 0.078(2) Uani 1 1 d . . . . .
H15A H 0.5533 0.8762 0.5250 0.118 Uiso 1 1 calc R U . . .
H15B H 0.5168 0.8519 0.4336 0.118 Uiso 1 1 calc R U . . .
H15C H 0.4550 0.8182 0.4965 0.118 Uiso 1 1 calc R U . . .
C16 C 0.1636(4) 0.9999(2) 0.8625(3) 0.0298(12) Uani 1 1 d . . . . .
C17 C 0.1187(5) 0.9815(3) 0.7801(3) 0.0396(13) Uani 1 1 d . . . . .
C18 C 0.0066(5) 0.9977(3) 0.7400(4) 0.0506(16) Uani 1 1 d . . . . .
H18 H -0.0212 0.9866 0.6852 0.061 Uiso 1 1 calc R U . . .
C19 C -0.0648(5) 1.0310(4) 0.7824(4) 0.0541(16) Uani 1 1 d . . . . .
H19 H -0.1412 1.0418 0.7556 0.065 Uiso 1 1 calc R U . . .
C20 C -0.0261(5) 1.0478(3) 0.8610(4) 0.0444(14) Uani 1 1 d . . . . .
H20 H -0.0757 1.0708 0.8876 0.053 Uiso 1 1 calc R U . . .
C21 C 0.0886(5) 1.0314(3) 0.9047(3) 0.0345(12) Uani 1 1 d . . . . .
C22 C 0.8753(5) 0.9463(3) 1.0125(3) 0.0372(13) Uani 1 1 d . . . . .
H22 H 0.9295 0.9200 0.9931 0.045 Uiso 1 1 calc R U . . .
C23 C 0.7590(5) 0.9281(3) 0.8804(3) 0.0376(13) Uani 1 1 d . . . . .
C24 C 0.8191(6) 0.8694(3) 0.8614(4) 0.0506(16) Uani 1 1 d . . . . .
H24 H 0.8721 0.8452 0.9026 0.061 Uiso 1 1 calc R U . . .
C25 C 0.8016(6) 0.8464(3) 0.7827(4) 0.0581(18) Uani 1 1 d . . . . .
H25 H 0.8444 0.8076 0.7704 0.070 Uiso 1 1 calc R U . . .
C26 C 0.7203(6) 0.8808(3) 0.7212(4) 0.0535(17) Uani 1 1 d . . . . .
H26 H 0.7090 0.8655 0.6676 0.064 Uiso 1 1 calc R U . . .
C27 C 0.6573(5) 0.9371(3) 0.7394(4) 0.0434(14) Uani 1 1 d . . . . .
H27 H 0.6022 0.9596 0.6979 0.052 Uiso 1 1 calc R U . . .
C28 C 0.6736(5) 0.9619(3) 0.8196(3) 0.0348(12) Uani 1 1 d . . . . .
C29 C 0.1611(6) 0.9058(4) 0.6738(4) 0.0558(17) Uani 1 1 d . . . . .
H29A H 0.2267 0.8929 0.6522 0.067 Uiso 1 1 calc R U . . .
H29B H 0.1064 0.9329 0.6322 0.067 Uiso 1 1 calc R U . . .
C30 C 0.1042(7) 0.8383(4) 0.6925(5) 0.083(3) Uani 1 1 d . . . . .
H30A H 0.1551 0.8138 0.7375 0.125 Uiso 1 1 calc R U . . .
H30B H 0.0876 0.8071 0.6458 0.125 Uiso 1 1 calc R U . . .
H30C H 0.0330 0.8505 0.7065 0.125 Uiso 1 1 calc R U . . .
C31 C 0.4042(6) 0.8080(3) 0.7954(4) 0.0536(17) Uani 1 1 d . . . . .
H31 H 0.3812 0.7943 0.8417 0.064 Uiso 1 1 calc R U . . .
C32 C 0.4456(9) 0.7753(5) 0.6705(5) 0.104(3) Uani 1 1 d . . . . .
H32A H 0.4264 0.8250 0.6561 0.156 Uiso 1 1 calc R U . . .
H32B H 0.4053 0.7442 0.6272 0.156 Uiso 1 1 calc R U . . .
H32C H 0.5279 0.7685 0.6792 0.156 Uiso 1 1 calc R U . . .
C33 C 0.3825(11) 0.6827(4) 0.7539(6) 0.126(4) Uani 1 1 d . . . . .
H33A H 0.4499 0.6528 0.7581 0.188 Uiso 1 1 calc R U . . .
H33B H 0.3220 0.6673 0.7082 0.188 Uiso 1 1 calc R U . . .
H33C H 0.3562 0.6783 0.8027 0.188 Uiso 1 1 calc R U . . .
C34 C 0.7680(6) 1.1734(3) 1.0075(4) 0.0498(15) Uani 1 1 d . . . . .
C35 C 0.8544(9) 1.2326(5) 1.0271(6) 0.117(4) Uani 1 1 d D . . . .
H35A H 0.9309 1.2106 1.0380 0.140 Uiso 1 1 calc R U . . .
H35B H 0.8456 1.2621 0.9786 0.140 Uiso 1 1 calc R U . . .
C36 C 0.8532(14) 1.2810(8) 1.0940(9) 0.230(9) Uani 1 1 d D . . . .
H36A H 0.8033 1.2615 1.1253 0.346 Uiso 1 1 calc R U . . .
H36B H 0.8249 1.3278 1.0730 0.346 Uiso 1 1 calc R U . . .
H36C H 0.9306 1.2859 1.1280 0.346 Uiso 1 1 calc R U . . .
Dy1 Dy 0.40620(2) 0.99629(2) 0.81018(2) 0.02915(9) Uani 1 1 d . . . . .
Dy2 Dy 0.62979(2) 1.04978(2) 0.97596(2) 0.02818(9) Uani 1 1 d . . . . .
H1 H 0.530(5) 0.915(2) 0.928(4) 0.07(2) Uiso 1 1 d D . . . .
N1 N 0.2857(4) 1.1046(2) 0.7666(3) 0.0366(10) Uani 1 1 d . . . . .
N2 N 0.7774(4) 0.9578(2) 0.9612(3) 0.0361(11) Uani 1 1 d . . . . .
N3 N 0.4120(5) 0.7581(3) 0.7428(3) 0.0595(15) Uani 1 1 d . . . . .
O1 O 0.3911(3) 1.0080(2) 0.6792(2) 0.0445(10) Uani 1 1 d . . . . .
O2 O 0.4667(3) 1.10154(17) 0.8909(2) 0.0329(8) Uani 1 1 d . . . . .
O3 O 0.3846(4) 0.9461(2) 0.5390(2) 0.0605(13) Uani 1 1 d . . . . .
O4 O 0.2765(3) 0.98674(18) 0.8948(2) 0.0326(8) Uani 1 1 d . . . . .
O5 O 0.6087(3) 1.01621(19) 0.8382(2) 0.0349(8) Uani 1 1 d . . . . .
O6 O 0.2009(3) 0.9511(2) 0.7444(2) 0.0451(10) Uani 1 1 d . . . . .
O7 O 0.4997(3) 0.95105(17) 0.9419(2) 0.0284(8) Uani 1 1 d D . . . .
O8 O 0.4258(4) 0.8728(2) 0.7867(2) 0.0493(10) Uani 1 1 d . . . . .
O9 O 0.6783(4) 1.1719(2) 1.0339(3) 0.0510(11) Uani 1 1 d . . . . .
O10 O 0.7871(4) 1.1247(2) 0.9627(3) 0.0635(13) 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 O1 1.315(7) . ?
C1 C6 1.411(8) . ?
C1 C2 1.411(8) . ?
C2 O3 1.354(7) . ?
C2 C3 1.389(8) . ?
C3 C4 1.383(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.352(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.410(8) . ?
C5 H5 0.9300 . ?
C6 C7 1.447(8) . ?
C7 N1 1.293(7) . ?
C7 H7 0.9300 . ?
C8 C9 1.387(7) . ?
C8 C13 1.397(8) . ?
C8 N1 1.417(7) . ?
C9 C10 1.361(8) . ?
C9 H9 0.9300 . ?
C10 C11 1.371(9) . ?
C10 H10 0.9300 . ?
C11 C12 1.382(8) . ?
C11 H11 0.9300 . ?
C12 C13 1.393(7) . ?
C12 H12 0.9300 . ?
C13 O2 1.331(6) . ?
C14 O3 1.424(7) . ?
C14 C15 1.495(10) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 O4 1.338(6) . ?
C16 C21 1.402(7) . ?
C16 C17 1.408(8) . ?
C17 C18 1.369(8) . ?
C17 O6 1.391(7) . ?
C18 C19 1.386(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.334(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.412(8) . ?
C20 H20 0.9300 . ?
C21 C22 1.423(7) 3_677 ?
C22 N2 1.285(7) . ?
C22 C21 1.423(7) 3_677 ?
C22 H22 0.9300 . ?
C23 C24 1.377(8) . ?
C23 C28 1.400(8) . ?
C23 N2 1.442(7) . ?
C24 C25 1.367(8) . ?
C24 H24 0.9300 . ?
C25 C26 1.387(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.359(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.403(7) . ?
C27 H27 0.9300 . ?
C28 O5 1.348(6) . ?
C29 O6 1.440(6) . ?
C29 C30 1.487(9) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 O8 1.238(7) . ?
C31 N3 1.301(7) . ?
C31 H31 0.9300 . ?
C32 N3 1.419(9) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 N3 1.455(9) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 O10 1.235(7) . ?
C34 O9 1.257(7) . ?
C34 C35 1.477(9) . ?
C34 Dy2 2.781(6) . ?
C35 C36 1.447(8) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
Dy1 O1 2.197(4) . ?
Dy1 O8 2.331(4) . ?
Dy1 O5 2.362(4) . ?
Dy1 O4 2.363(4) . ?
Dy1 O2 2.379(3) . ?
Dy1 O7 2.384(3) . ?
Dy1 N1 2.459(4) . ?
Dy1 O6 2.556(4) . ?
Dy1 Dy2 3.4948(4) . ?
Dy1 Dy2 3.8558(5) 3_677 ?
Dy2 O4 2.300(3) 3_677 ?
Dy2 O2 2.314(3) . ?
Dy2 O7 2.323(3) 3_677 ?
Dy2 O7 2.363(3) . ?
Dy2 O5 2.372(3) . ?
Dy2 O10 2.379(4) . ?
Dy2 O9 2.465(4) . ?
Dy2 N2 2.497(4) . ?
Dy2 Dy2 3.8485(6) 3_677 ?
Dy2 Dy1 3.8558(5) 3_677 ?
O4 Dy2 2.300(3) 3_677 ?
O7 Dy2 2.322(3) 3_677 ?
O7 H1 0.816(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 C6 122.9(5) . . ?
O1 C1 C2 119.0(5) . . ?
C6 C1 C2 118.1(5) . . ?
O3 C2 C3 124.1(6) . . ?
O3 C2 C1 115.0(5) . . ?
C3 C2 C1 120.8(6) . . ?
C4 C3 C2 120.2(6) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C5 C4 C3 120.0(6) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C6 121.8(6) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C5 C6 C1 119.0(5) . . ?
C5 C6 C7 117.7(6) . . ?
C1 C6 C7 123.2(5) . . ?
N1 C7 C6 125.7(5) . . ?
N1 C7 H7 117.1 . . ?
C6 C7 H7 117.1 . . ?
C9 C8 C13 120.8(5) . . ?
C9 C8 N1 125.2(5) . . ?
C13 C8 N1 113.9(5) . . ?
C10 C9 C8 120.2(6) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 119.9(6) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C10 C11 C12 121.0(5) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C11 C12 C13 120.0(5) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
O2 C13 C12 123.6(5) . . ?
O2 C13 C8 118.5(5) . . ?
C12 C13 C8 117.8(5) . . ?
O3 C14 C15 107.6(5) . . ?
O3 C14 H14A 110.2 . . ?
C15 C14 H14A 110.2 . . ?
O3 C14 H14B 110.2 . . ?
C15 C14 H14B 110.2 . . ?
H14A C14 H14B 108.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O4 C16 C21 124.5(5) . . ?
O4 C16 C17 117.1(5) . . ?
C21 C16 C17 118.4(5) . . ?
C18 C17 O6 125.0(5) . . ?
C18 C17 C16 121.5(5) . . ?
O6 C17 C16 113.4(5) . . ?
C17 C18 C19 119.0(6) . . ?
C17 C18 H18 120.5 . . ?
C19 C18 H18 120.5 . . ?
C20 C19 C18 121.3(6) . . ?
C20 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C19 C20 C21 121.5(6) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 H20 119.3 . . ?
C16 C21 C20 118.3(5) . . ?
C16 C21 C22 123.5(5) . 3_677 ?
C20 C21 C22 118.0(5) . 3_677 ?
N2 C22 C21 128.3(5) . 3_677 ?
N2 C22 H22 115.9 . . ?
C21 C22 H22 115.9 3_677 . ?
C24 C23 C28 119.9(5) . . ?
C24 C23 N2 123.8(5) . . ?
C28 C23 N2 116.3(5) . . ?
C25 C24 C23 120.8(6) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C24 C25 C26 120.1(6) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C27 C26 C25 119.8(6) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C26 C27 C28 121.3(6) . . ?
C26 C27 H27 119.4 . . ?
C28 C27 H27 119.4 . . ?
O5 C28 C23 120.7(5) . . ?
O5 C28 C27 121.3(5) . . ?
C23 C28 C27 118.0(5) . . ?
O6 C29 C30 112.2(6) . . ?
O6 C29 H29A 109.2 . . ?
C30 C29 H29A 109.2 . . ?
O6 C29 H29B 109.2 . . ?
C30 C29 H29B 109.2 . . ?
H29A C29 H29B 107.9 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O8 C31 N3 123.2(6) . . ?
O8 C31 H31 118.4 . . ?
N3 C31 H31 118.4 . . ?
N3 C32 H32A 109.5 . . ?
N3 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
N3 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N3 C33 H33A 109.5 . . ?
N3 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
N3 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O10 C34 O9 120.4(5) . . ?
O10 C34 C35 116.8(6) . . ?
O9 C34 C35 122.8(6) . . ?
O10 C34 Dy2 58.4(3) . . ?
O9 C34 Dy2 62.4(3) . . ?
C35 C34 Dy2 172.6(6) . . ?
C36 C35 C34 119.2(8) . . ?
C36 C35 H35A 107.5 . . ?
C34 C35 H35A 107.5 . . ?
C36 C35 H35B 107.5 . . ?
C34 C35 H35B 107.5 . . ?
H35A C35 H35B 107.0 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O1 Dy1 O8 84.79(14) . . ?
O1 Dy1 O5 90.55(14) . . ?
O8 Dy1 O5 92.60(13) . . ?
O1 Dy1 O4 136.25(14) . . ?
O8 Dy1 O4 98.04(13) . . ?
O5 Dy1 O4 132.57(12) . . ?
O1 Dy1 O2 116.06(13) . . ?
O8 Dy1 O2 149.87(13) . . ?
O5 Dy1 O2 67.16(12) . . ?
O4 Dy1 O2 81.93(12) . . ?
O1 Dy1 O7 152.20(13) . . ?
O8 Dy1 O7 77.07(13) . . ?
O5 Dy1 O7 69.70(12) . . ?
O4 Dy1 O7 68.04(12) . . ?
O2 Dy1 O7 75.04(11) . . ?
O1 Dy1 N1 73.81(14) . . ?
O8 Dy1 N1 144.64(15) . . ?
O5 Dy1 N1 114.96(13) . . ?
O4 Dy1 N1 79.86(13) . . ?
O2 Dy1 N1 65.29(13) . . ?
O7 Dy1 N1 131.74(13) . . ?
O1 Dy1 O6 76.25(14) . . ?
O8 Dy1 O6 74.50(14) . . ?
O5 Dy1 O6 162.14(12) . . ?
O4 Dy1 O6 62.89(12) . . ?
O2 Dy1 O6 129.43(12) . . ?
O7 Dy1 O6 117.78(13) . . ?
N1 Dy1 O6 73.27(13) . . ?
O1 Dy1 Dy2 129.85(11) . . ?
O8 Dy1 Dy2 108.93(10) . . ?
O5 Dy1 Dy2 42.52(8) . . ?
O4 Dy1 Dy2 90.68(9) . . ?
O2 Dy1 Dy2 41.15(8) . . ?
O7 Dy1 Dy2 42.36(8) . . ?
N1 Dy1 Dy2 106.39(10) . . ?
O6 Dy1 Dy2 153.43(9) . . ?
O1 Dy1 Dy2 167.14(11) . 3_677 ?
O8 Dy1 Dy2 89.19(10) . 3_677 ?
O5 Dy1 Dy2 101.08(8) . 3_677 ?
O4 Dy1 Dy2 33.68(8) . 3_677 ?
O2 Dy1 Dy2 74.07(8) . 3_677 ?
O7 Dy1 Dy2 34.47(9) . 3_677 ?
N1 Dy1 Dy2 105.59(10) . 3_677 ?
O6 Dy1 Dy2 91.21(9) . 3_677 ?
Dy2 Dy1 Dy2 62.918(10) . 3_677 ?
O4 Dy2 O2 147.86(12) 3_677 . ?
O4 Dy2 O7 70.15(12) 3_677 3_677 ?
O2 Dy2 O7 78.45(12) . 3_677 ?
O4 Dy2 O7 98.04(12) 3_677 . ?
O2 Dy2 O7 76.67(12) . . ?
O7 Dy2 O7 69.56(13) 3_677 . ?
O4 Dy2 O5 140.50(12) 3_677 . ?
O2 Dy2 O5 68.06(12) . . ?
O7 Dy2 O5 131.95(12) 3_677 . ?
O7 Dy2 O5 69.90(12) . . ?
O4 Dy2 O10 93.17(15) 3_677 . ?
O2 Dy2 O10 104.93(15) . . ?
O7 Dy2 O10 135.70(13) 3_677 . ?
O7 Dy2 O10 154.73(14) . . ?
O5 Dy2 O10 87.10(14) . . ?
O4 Dy2 O9 82.92(13) 3_677 . ?
O2 Dy2 O9 87.08(13) . . ?
O7 Dy2 O9 83.68(12) 3_677 . ?
O7 Dy2 O9 150.84(13) . . ?
O5 Dy2 O9 126.04(13) . . ?
O10 Dy2 O9 53.00(14) . . ?
O4 Dy2 N2 73.27(13) 3_677 . ?
O2 Dy2 N2 135.84(13) . . ?
O7 Dy2 N2 130.09(12) 3_677 . ?
O7 Dy2 N2 83.46(13) . . ?
O5 Dy2 N2 68.14(14) . . ?
O10 Dy2 N2 78.19(15) . . ?
O9 Dy2 N2 124.02(14) . . ?
O4 Dy2 C34 86.19(16) 3_677 . ?
O2 Dy2 C34 98.36(16) . . ?
O7 Dy2 C34 109.77(16) 3_677 . ?
O7 Dy2 C34 175.03(16) . . ?
O5 Dy2 C34 108.38(16) . . ?
O10 Dy2 C34 26.24(16) . . ?
O9 Dy2 C34 26.87(15) . . ?
N2 Dy2 C34 100.32(17) . . ?
O4 Dy2 Dy1 140.86(9) 3_677 . ?
O2 Dy2 Dy1 42.58(8) . . ?
O7 Dy2 Dy1 89.84(9) 3_677 . ?
O7 Dy2 Dy1 42.83(8) . . ?
O5 Dy2 Dy1 42.31(9) . . ?
O10 Dy2 Dy1 122.98(12) . . ?
O9 Dy2 Dy1 129.32(10) . . ?
N2 Dy2 Dy1 98.03(10) . . ?
C34 Dy2 Dy1 132.83(13) . . ?
O4 Dy2 Dy2 83.16(9) 3_677 3_677 ?
O2 Dy2 Dy2 74.79(9) . 3_677 ?
O7 Dy2 Dy2 35.12(8) 3_677 3_677 ?
O7 Dy2 Dy2 34.43(8) . 3_677 ?
O5 Dy2 Dy2 101.09(9) . 3_677 ?
O10 Dy2 Dy2 170.82(11) . 3_677 ?
O9 Dy2 Dy2 118.02(10) . 3_677 ?
N2 Dy2 Dy2 108.58(10) . 3_677 ?
C34 Dy2 Dy2 144.67(14) . 3_677 ?
Dy1 Dy2 Dy2 63.130(11) . 3_677 ?
O4 Dy2 Dy1 34.74(9) 3_677 3_677 ?
O2 Dy2 Dy1 113.92(9) . 3_677 ?
O7 Dy2 Dy1 35.53(8) 3_677 3_677 ?
O7 Dy2 Dy1 80.88(8) . 3_677 ?
O5 Dy2 Dy1 149.58(9) . 3_677 ?
O10 Dy2 Dy1 119.47(12) . 3_677 ?
O9 Dy2 Dy1 83.95(10) . 3_677 ?
N2 Dy2 Dy1 101.03(10) . 3_677 ?
C34 Dy2 Dy1 101.43(13) . 3_677 ?
Dy1 Dy2 Dy1 117.082(10) . 3_677 ?
Dy2 Dy2 Dy1 53.951(7) 3_677 3_677 ?
C7 N1 C8 119.8(5) . . ?
C7 N1 Dy1 129.5(4) . . ?
C8 N1 Dy1 110.7(3) . . ?
C22 N2 C23 118.6(5) . . ?
C22 N2 Dy2 125.7(4) . . ?
C23 N2 Dy2 114.2(3) . . ?
C31 N3 C32 121.3(6) . . ?
C31 N3 C33 121.7(6) . . ?
C32 N3 C33 117.0(6) . . ?
C1 O1 Dy1 136.8(4) . . ?
C13 O2 Dy2 137.3(3) . . ?
C13 O2 Dy1 114.6(3) . . ?
Dy2 O2 Dy1 96.26(11) . . ?
C2 O3 C14 118.5(5) . . ?
C16 O4 Dy2 129.9(3) . 3_677 ?
C16 O4 Dy1 118.5(3) . . ?
Dy2 O4 Dy1 111.58(14) 3_677 . ?
C28 O5 Dy1 116.9(3) . . ?
C28 O5 Dy2 119.9(3) . . ?
Dy1 O5 Dy2 95.17(12) . . ?
C17 O6 C29 118.4(5) . . ?
C17 O6 Dy1 112.1(3) . . ?
C29 O6 Dy1 129.2(4) . . ?
Dy2 O7 Dy2 110.44(13) 3_677 . ?
Dy2 O7 Dy1 110.00(14) 3_677 . ?
Dy2 O7 Dy1 94.81(11) . . ?
Dy2 O7 H1 126(5) 3_677 . ?
Dy2 O7 H1 112(5) . . ?
Dy1 O7 H1 98(5) . . ?
C31 O8 Dy1 152.6(4) . . ?
C34 O9 Dy2 90.7(3) . . ?
C34 O10 Dy2 95.4(4) . . ?

_refine_diff_density_max         1.449
_refine_diff_density_min         -0.757
_refine_diff_density_rms         0.120



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

data_2
_database_code_depnum_ccdc_archive 'CCDC 2176195'
_audit_update_record             
;
2022-05-31 deposited with the CCDC.	2022-09-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C70 H74 Dy4 N6 O20'
_chemical_formula_weight         1969.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.0913(6)
_cell_length_b                   17.7473(9)
_cell_length_c                   17.5153(9)
_cell_angle_alpha                90
_cell_angle_beta                 105.216(2)
_cell_angle_gamma                90
_cell_volume                     3626.8(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7294
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      23.17

_exptl_crystal_description       Cuboid
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_F_000             1920
_exptl_transmission_factor_min   0.522
_exptl_transmission_factor_max   0.594
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    4.148
_shelx_estimated_absorpt_T_min   0.522
_shelx_estimated_absorpt_T_max   0.594
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            42157
_diffrn_reflns_av_unetI/netI     0.0404
_diffrn_reflns_av_R_equivalents  0.0597
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.664
_diffrn_reflns_theta_max         25.848
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6967
_reflns_number_gt                5420
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0650P)²+2.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6967
_refine_ls_number_parameters     446
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0398
_refine_ls_wR_factor_ref         0.1121
_refine_ls_wR_factor_gt          0.1006
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.7738(7) 1.0482(4) 0.6336(4) 0.061(2) Uani 1 1 d . . . . .
C2 C 0.7569(10) 1.0197(6) 0.5555(5) 0.082(3) Uani 1 1 d . . . . .
C3 C 0.6610(12) 1.0412(7) 0.4960(5) 0.111(4) Uani 1 1 d . . . . .
H3 H 0.6515 1.0229 0.4449 0.133 Uiso 1 1 calc R U . . .
C4 C 0.5791(11) 1.0899(7) 0.5119(7) 0.106(4) Uani 1 1 d . . . . .
H4 H 0.5131 1.1010 0.4724 0.127 Uiso 1 1 calc R U . . .
C5 C 0.5947(8) 1.1202(5) 0.5826(5) 0.088(3) Uani 1 1 d . . . . .
H5 H 0.5415 1.1548 0.5913 0.106 Uiso 1 1 calc R U . . .
C6 C 0.6909(8) 1.1013(4) 0.6459(5) 0.069(2) Uani 1 1 d . . . . .
C7 C 0.7004(6) 1.1367(4) 0.7200(5) 0.066(2) Uani 1 1 d . . . . .
H7 H 0.6529 1.1778 0.7203 0.079 Uiso 1 1 calc R U . . .
C8 C 0.7752(6) 1.1620(4) 0.8543(4) 0.0514(17) Uani 1 1 d . . . . .
C9 C 0.6866(6) 1.2053(4) 0.8683(5) 0.061(2) Uani 1 1 d . . . . .
H9 H 0.6151 1.2047 0.8320 0.073 Uiso 1 1 calc R U . . .
C10 C 0.7030(8) 1.2483(5) 0.9340(6) 0.075(2) Uani 1 1 d . . . . .
H10 H 0.6431 1.2770 0.9426 0.090 Uiso 1 1 calc R U . . .
C11 C 1.1919(8) 0.7506(5) 1.0120(5) 0.074(2) Uani 1 1 d . . . . .
H11 H 1.1797 0.7194 0.9679 0.089 Uiso 1 1 calc R U . . .
C12 C 1.1035(7) 0.7960(4) 1.0229(4) 0.0548(18) Uani 1 1 d . . . . .
H12 H 1.0327 0.7952 0.9856 0.066 Uiso 1 1 calc R U . . .
C13 C 1.1197(5) 0.8424(3) 1.0885(4) 0.0437(15) Uani 1 1 d . . . . .
C14 C 0.8376(17) 0.9395(9) 0.4730(7) 0.161(7) Uani 1 1 d . . . . .
H14A H 0.8415 0.9798 0.4364 0.193 Uiso 1 1 calc R U . . .
H14B H 0.7673 0.9115 0.4521 0.193 Uiso 1 1 calc R U . . .
C15 C 0.9378(18) 0.8894(9) 0.4837(9) 0.179(8) Uani 1 1 d . . . . .
H15A H 1.0068 0.9184 0.5014 0.269 Uiso 1 1 calc R U . . .
H15B H 0.9366 0.8657 0.4342 0.269 Uiso 1 1 calc R U . . .
H15C H 0.9352 0.8516 0.5223 0.269 Uiso 1 1 calc R U . . .
C16 C 0.6624(6) 1.0047(4) 0.8794(4) 0.0459(16) Uani 1 1 d . . . . .
C17 C 0.6102(6) 0.9875(5) 0.8005(5) 0.059(2) Uani 1 1 d . . . . .
C18 C 0.4974(7) 1.0024(5) 0.7669(6) 0.078(3) Uani 1 1 d . . . . .
H18 H 0.4637 0.9890 0.7146 0.093 Uiso 1 1 calc R U . . .
C19 C 0.4335(8) 1.0375(6) 0.8113(6) 0.083(3) Uani 1 1 d . . . . .
H19 H 0.3568 1.0489 0.7885 0.100 Uiso 1 1 calc R U . . .
C20 C 0.4824(6) 1.0554(5) 0.8888(6) 0.071(2) Uani 1 1 d . . . . .
H20 H 0.4387 1.0787 0.9184 0.085 Uiso 1 1 calc R U . . .
C21 C 0.5983(6) 1.0389(4) 0.9241(4) 0.0549(18) Uani 1 1 d . . . . .
C22 C 0.6417(6) 1.0593(4) 1.0060(5) 0.0561(19) Uani 1 1 d . . . . .
H22 H 0.5927 1.0873 1.0279 0.067 Uiso 1 1 calc R U . . .
C23 C 0.7668(6) 1.0693(4) 1.1324(4) 0.0536(18) Uani 1 1 d . . . . .
C24 C 0.7111(8) 1.1292(5) 1.1578(6) 0.077(2) Uani 1 1 d . . . . .
H24 H 0.6561 1.1572 1.1218 0.092 Uiso 1 1 calc R U . . .
C25 C 0.7395(10) 1.1467(6) 1.2387(6) 0.092(3) Uani 1 1 d . . . . .
H25 H 0.7049 1.1878 1.2560 0.110 Uiso 1 1 calc R U . . .
C26 C 0.8153(9) 1.1054(6) 1.2916(5) 0.081(3) Uani 1 1 d . . . . .
H26 H 0.8299 1.1164 1.3453 0.097 Uiso 1 1 calc R U . . .
C27 C 0.8716(7) 1.0471(5) 1.2671(5) 0.068(2) Uani 1 1 d . . . . .
H27 H 0.9250 1.0195 1.3046 0.081 Uiso 1 1 calc R U . . .
C28 C 0.8510(6) 1.0280(4) 1.1878(4) 0.0511(17) Uani 1 1 d . . . . .
C29 C 0.6395(8) 0.9087(6) 0.6938(5) 0.084(3) Uani 1 1 d . . . . .
H29A H 0.6991 0.8977 0.6676 0.101 Uiso 1 1 calc R U . . .
H29B H 0.5780 0.9347 0.6564 0.101 Uiso 1 1 calc R U . . .
C30 C 0.5956(11) 0.8374(7) 0.7183(8) 0.136(5) Uani 1 1 d . . . . .
H30A H 0.6474 0.8196 0.7663 0.204 Uiso 1 1 calc R U . . .
H30B H 0.5894 0.8003 0.6775 0.204 Uiso 1 1 calc R U . . .
H30C H 0.5215 0.8459 0.7271 0.204 Uiso 1 1 calc R U . . .
C31 C 0.9154(9) 0.8158(5) 0.7949(6) 0.0892(13) Uani 1 1 d . . . . .
H31 H 0.9144 0.8019 0.8459 0.107 Uiso 1 1 calc R U . . .
C32 C 0.9273(19) 0.7691(11) 0.6719(9) 0.224(10) Uani 1 1 d . . . . .
H32A H 0.8552 0.7532 0.6380 0.337 Uiso 1 1 calc R U . . .
H32B H 0.9878 0.7390 0.6617 0.337 Uiso 1 1 calc R U . . .
H32C H 0.9402 0.8211 0.6618 0.337 Uiso 1 1 calc R U . . .
C34 C 0.7359(7) 0.8235(5) 0.9915(6) 0.069(2) Uani 1 1 d . . . . .
C35 C 0.6507(11) 0.7619(8) 0.9646(9) 0.153(6) Uani 1 1 d . . . . .
H35A H 0.6859 0.7142 0.9821 0.230 Uiso 1 1 calc R U . . .
H35B H 0.6248 0.7622 0.9079 0.230 Uiso 1 1 calc R U . . .
H35C H 0.5867 0.7695 0.9865 0.230 Uiso 1 1 calc R U . . .
C33A C 0.8880(16) 0.6820(8) 0.7692(10) 0.0892(13) Uani 0.6 1 d . . P A 1
H33A H 0.9344 0.6661 0.8199 0.134 Uiso 0.6 1 calc R U P A 1
H33B H 0.8971 0.6471 0.7293 0.134 Uiso 0.6 1 calc R U P A 1
H33C H 0.8091 0.6834 0.7702 0.134 Uiso 0.6 1 calc R U P A 1
C33B C 1.001(2) 0.6928(12) 0.7798(15) 0.0892(13) Uani 0.4 1 d . . P A 2
H33D H 0.9625 0.6477 0.7572 0.134 Uiso 0.4 1 calc R U P A 2
H33E H 1.0181 0.6903 0.8364 0.134 Uiso 0.4 1 calc R U P A 2
H33F H 1.0717 0.6976 0.7644 0.134 Uiso 0.4 1 calc R U P A 2
Dy1 Dy 0.89066(3) 1.00547(2) 0.81711(2) 0.04104(11) Uani 1 1 d . . . . .
Dy2 Dy 0.87666(2) 0.94730(2) 1.02642(2) 0.03677(11) Uani 1 1 d . . . . .
N1 N 0.7678(4) 1.1176(3) 0.7862(3) 0.0482(13) Uani 1 1 d . . . . .
N2 N 0.7405(5) 1.0433(3) 1.0526(3) 0.0469(13) Uani 1 1 d . . . . .
N3 N 0.9256(8) 0.7606(4) 0.7502(5) 0.0892(13) Uani 1 1 d . . . . .
O1 O 0.8605(4) 1.0267(3) 0.6892(3) 0.0604(13) Uani 1 1 d . . . . .
O2 O 1.0409(3) 0.8897(2) 1.1004(2) 0.0402(10) Uani 1 1 d . . . . .
O3 O 0.8401(8) 0.9694(5) 0.5481(4) 0.110(3) Uani 1 1 d . . . . .
O4 O 0.7760(3) 0.9925(2) 0.9060(3) 0.0429(10) Uani 1 1 d . . . . .
O5 O 0.9116(4) 0.9746(3) 1.1634(2) 0.0452(10) Uani 1 1 d . . . . .
O6 O 0.6852(4) 0.9565(3) 0.7613(3) 0.0631(14) Uani 1 1 d . . . . .
O7 O 0.9942(4) 0.9516(2) 0.9404(2) 0.0375(9) Uani 1 1 d D . . . .
O8 O 0.9071(6) 0.8801(3) 0.7829(4) 0.0892(13) Uani 1 1 d . . . . .
O9 O 0.8217(5) 0.8252(3) 0.9632(3) 0.0688(14) Uani 1 1 d . . . . .
O10 O 0.7213(5) 0.8712(3) 1.0386(4) 0.0768(17) Uani 1 1 d . . . . .
H1 H 0.996(7) 0.9085(17) 0.925(4) 0.07(3) Uiso 1 1 d 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 O1 1.287(9) . ?
C1 C2 1.422(11) . ?
C1 C6 1.432(12) . ?
C2 O3 1.376(13) . ?
C2 C3 1.394(15) . ?
C3 C4 1.397(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.316(14) . ?
C4 H4 0.9300 . ?
C5 C6 1.420(10) . ?
C5 H5 0.9300 . ?
C6 C7 1.420(12) . ?
C7 N1 1.276(8) . ?
C7 H7 0.9300 . ?
C8 C9 1.392(10) . ?
C8 C13 1.399(9) 3_777 ?
C8 N1 1.411(9) . ?
C9 C10 1.350(11) . ?
C9 H9 0.9300 . ?
C10 C11 1.371(12) 3_777 ?
C10 H10 0.9300 . ?
C11 C10 1.371(12) 3_777 ?
C11 C12 1.391(11) . ?
C11 H11 0.9300 . ?
C12 C13 1.385(9) . ?
C12 H12 0.9300 . ?
C13 O2 1.327(7) . ?
C13 C8 1.399(9) 3_777 ?
C14 O3 1.411(13) . ?
C14 C15 1.47(2) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 O4 1.347(8) . ?
C16 C21 1.379(10) . ?
C16 C17 1.394(10) . ?
C17 C18 1.362(11) . ?
C17 O6 1.386(10) . ?
C18 C19 1.381(14) . ?
C18 H18 0.9300 . ?
C19 C20 1.367(13) . ?
C19 H19 0.9300 . ?
C20 C21 1.406(10) . ?
C20 H20 0.9300 . ?
C21 C22 1.438(11) . ?
C22 N2 1.290(9) . ?
C22 H22 0.9300 . ?
C23 C24 1.393(10) . ?
C23 C28 1.413(10) . ?
C23 N2 1.428(9) . ?
C24 C25 1.403(13) . ?
C24 H24 0.9300 . ?
C25 C26 1.338(13) . ?
C25 H25 0.9300 . ?
C26 C27 1.368(12) . ?
C26 H26 0.9300 . ?
C27 C28 1.387(10) . ?
C27 H27 0.9300 . ?
C28 O5 1.335(8) . ?
C29 O6 1.442(9) . ?
C29 C30 1.479(14) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 O8 1.160(10) . ?
C31 N3 1.281(11) . ?
C31 H31 0.9300 . ?
C32 N3 1.385(15) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C34 O10 1.227(10) . ?
C34 O9 1.262(10) . ?
C34 C35 1.491(12) . ?
C34 Dy2 2.748(7) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C33A N3 1.530(17) . ?
C33A H33A 0.9600 . ?
C33A H33B 0.9600 . ?
C33A H33C 0.9600 . ?
C33B N3 1.52(2) . ?
C33B H33D 0.9600 . ?
C33B H33E 0.9600 . ?
C33B H33F 0.9600 . ?
Dy1 O1 2.206(5) . ?
Dy1 O8 2.325(6) . ?
Dy1 O5 2.351(5) 3_777 ?
Dy1 O4 2.352(4) . ?
Dy1 O2 2.367(4) 3_777 ?
Dy1 O7 2.393(4) . ?
Dy1 N1 2.457(5) . ?
Dy1 O6 2.571(5) . ?
Dy1 Dy2 3.4758(4) 3_777 ?
Dy1 Dy2 3.8549(4) . ?
Dy2 O4 2.287(4) . ?
Dy2 O2 2.306(4) . ?
Dy2 O7 2.328(4) . ?
Dy2 O7 2.349(4) 3_777 ?
Dy2 O10 2.369(5) . ?
Dy2 O5 2.374(4) . ?
Dy2 O9 2.445(5) . ?
Dy2 N2 2.493(5) . ?
Dy2 Dy1 3.4759(4) 3_777 ?
Dy2 Dy2 3.8342(6) 3_777 ?
O2 Dy1 2.367(4) 3_777 ?
O5 Dy1 2.352(4) 3_777 ?
O7 Dy2 2.349(4) 3_777 ?
O7 H1 0.815(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 C2 120.3(9) . . ?
O1 C1 C6 123.0(7) . . ?
C2 C1 C6 116.7(8) . . ?
O3 C2 C3 126.3(10) . . ?
O3 C2 C1 113.4(8) . . ?
C3 C2 C1 120.2(11) . . ?
C2 C3 C4 121.0(10) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 H3 119.5 . . ?
C5 C4 C3 120.4(10) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 121.6(11) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C7 C6 C5 117.6(9) . . ?
C7 C6 C1 122.4(7) . . ?
C5 C6 C1 120.0(8) . . ?
N1 C7 C6 126.4(8) . . ?
N1 C7 H7 116.8 . . ?
C6 C7 H7 116.8 . . ?
C9 C8 C13 120.0(7) . 3_777 ?
C9 C8 N1 125.2(6) . . ?
C13 C8 N1 114.7(6) 3_777 . ?
C10 C9 C8 121.0(8) . . ?
C10 C9 H9 119.5 . . ?
C8 C9 H9 119.5 . . ?
C9 C10 C11 119.9(8) . 3_777 ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 3_777 . ?
C10 C11 C12 120.3(8) 3_777 . ?
C10 C11 H11 119.9 3_777 . ?
C12 C11 H11 119.9 . . ?
C13 C12 C11 120.7(7) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
O2 C13 C12 123.7(6) . . ?
O2 C13 C8 118.5(6) . 3_777 ?
C12 C13 C8 117.8(6) . 3_777 ?
O3 C14 C15 107.0(13) . . ?
O3 C14 H14A 110.3 . . ?
C15 C14 H14A 110.3 . . ?
O3 C14 H14B 110.3 . . ?
C15 C14 H14B 110.3 . . ?
H14A C14 H14B 108.6 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O4 C16 C21 123.2(6) . . ?
O4 C16 C17 117.6(7) . . ?
C21 C16 C17 119.0(7) . . ?
C18 C17 O6 125.1(8) . . ?
C18 C17 C16 121.7(8) . . ?
O6 C17 C16 113.2(6) . . ?
C17 C18 C19 119.3(9) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
C20 C19 C18 120.2(8) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C21 120.7(9) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C16 C21 C20 119.0(8) . . ?
C16 C21 C22 124.4(6) . . ?
C20 C21 C22 116.5(8) . . ?
N2 C22 C21 127.6(7) . . ?
N2 C22 H22 116.2 . . ?
C21 C22 H22 116.2 . . ?
C24 C23 C28 119.9(7) . . ?
C24 C23 N2 123.9(7) . . ?
C28 C23 N2 116.1(6) . . ?
C23 C24 C25 118.7(9) . . ?
C23 C24 H24 120.7 . . ?
C25 C24 H24 120.7 . . ?
C26 C25 C24 121.4(9) . . ?
C26 C25 H25 119.3 . . ?
C24 C25 H25 119.3 . . ?
C25 C26 C27 120.2(9) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C26 C27 C28 121.7(9) . . ?
C26 C27 H27 119.1 . . ?
C28 C27 H27 119.1 . . ?
O5 C28 C27 121.7(7) . . ?
O5 C28 C23 120.3(6) . . ?
C27 C28 C23 117.9(7) . . ?
O6 C29 C30 110.8(8) . . ?
O6 C29 H29A 109.5 . . ?
C30 C29 H29A 109.5 . . ?
O6 C29 H29B 109.5 . . ?
C30 C29 H29B 109.5 . . ?
H29A C29 H29B 108.1 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O8 C31 N3 131.3(11) . . ?
O8 C31 H31 114.3 . . ?
N3 C31 H31 114.3 . . ?
N3 C32 H32A 109.5 . . ?
N3 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
N3 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O10 C34 O9 121.7(7) . . ?
O10 C34 C35 120.6(9) . . ?
O9 C34 C35 117.7(9) . . ?
O10 C34 Dy2 59.3(4) . . ?
O9 C34 Dy2 62.8(4) . . ?
C35 C34 Dy2 173.0(8) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N3 C33A H33A 109.5 . . ?
N3 C33A H33B 109.5 . . ?
H33A C33A H33B 109.5 . . ?
N3 C33A H33C 109.5 . . ?
H33A C33A H33C 109.5 . . ?
H33B C33A H33C 109.5 . . ?
N3 C33B H33D 109.5 . . ?
N3 C33B H33E 109.5 . . ?
H33D C33B H33E 109.5 . . ?
N3 C33B H33F 109.5 . . ?
H33D C33B H33F 109.5 . . ?
H33E C33B H33F 109.5 . . ?
O1 Dy1 O8 84.5(2) . . ?
O1 Dy1 O5 90.72(17) . 3_777 ?
O8 Dy1 O5 91.7(2) . 3_777 ?
O1 Dy1 O4 136.05(17) . . ?
O8 Dy1 O4 100.5(2) . . ?
O5 Dy1 O4 132.23(14) 3_777 . ?
O1 Dy1 O2 115.07(18) . 3_777 ?
O8 Dy1 O2 150.32(19) . 3_777 ?
O5 Dy1 O2 67.29(15) 3_777 3_777 ?
O4 Dy1 O2 81.10(15) . 3_777 ?
O1 Dy1 O7 153.20(18) . . ?
O8 Dy1 O7 77.89(19) . . ?
O5 Dy1 O7 69.97(14) 3_777 . ?
O4 Dy1 O7 67.89(14) . . ?
O2 Dy1 O7 75.34(14) 3_777 . ?
O1 Dy1 N1 73.07(19) . . ?
O8 Dy1 N1 143.7(2) . . ?
O5 Dy1 N1 116.30(17) 3_777 . ?
O4 Dy1 N1 78.32(17) . . ?
O2 Dy1 N1 65.94(16) 3_777 . ?
O7 Dy1 N1 131.71(17) . . ?
O1 Dy1 O6 77.65(18) . . ?
O8 Dy1 O6 73.6(2) . . ?
O5 Dy1 O6 161.87(16) 3_777 . ?
O4 Dy1 O6 62.60(15) . . ?
O2 Dy1 O6 130.24(16) 3_777 . ?
O7 Dy1 O6 115.64(15) . . ?
N1 Dy1 O6 73.88(18) . . ?
O1 Dy1 Dy2 130.05(14) . 3_777 ?
O8 Dy1 Dy2 109.12(17) . 3_777 ?
O5 Dy1 Dy2 42.90(10) 3_777 3_777 ?
O4 Dy1 Dy2 89.85(10) . 3_777 ?
O2 Dy1 Dy2 41.26(10) 3_777 3_777 ?
O7 Dy1 Dy2 42.37(10) . 3_777 ?
N1 Dy1 Dy2 107.19(13) . 3_777 ?
O6 Dy1 Dy2 151.98(11) . 3_777 ?
O1 Dy1 Dy2 167.13(14) . . ?
O8 Dy1 Dy2 90.95(17) . . ?
O5 Dy1 Dy2 101.46(10) 3_777 . ?
O4 Dy1 Dy2 33.25(10) . . ?
O2 Dy1 Dy2 74.08(10) 3_777 . ?
O7 Dy1 Dy2 34.72(10) . . ?
N1 Dy1 Dy2 104.57(13) . . ?
O6 Dy1 Dy2 89.53(11) . . ?
Dy2 Dy1 Dy2 62.820(10) 3_777 . ?
O4 Dy2 O2 147.75(15) . . ?
O4 Dy2 O7 70.08(15) . . ?
O2 Dy2 O7 78.24(15) . . ?
O4 Dy2 O7 96.79(15) . 3_777 ?
O2 Dy2 O7 77.35(14) . 3_777 ?
O7 Dy2 O7 69.89(18) . 3_777 ?
O4 Dy2 O10 92.3(2) . . ?
O2 Dy2 O10 106.45(19) . . ?
O7 Dy2 O10 135.27(19) . . ?
O7 Dy2 O10 154.77(19) 3_777 . ?
O4 Dy2 O5 140.43(16) . . ?
O2 Dy2 O5 67.91(15) . . ?
O7 Dy2 O5 132.08(15) . . ?
O7 Dy2 O5 70.34(15) 3_777 . ?
O10 Dy2 O5 87.73(19) . . ?
O4 Dy2 O9 82.98(18) . . ?
O2 Dy2 O9 87.33(17) . . ?
O7 Dy2 O9 82.83(17) . . ?
O7 Dy2 O9 150.81(17) 3_777 . ?
O10 Dy2 O9 53.69(19) . . ?
O5 Dy2 O9 126.44(18) . . ?
O4 Dy2 N2 73.27(17) . . ?
O2 Dy2 N2 135.41(17) . . ?
O7 Dy2 N2 129.88(16) . . ?
O7 Dy2 N2 81.98(17) 3_777 . ?
O10 Dy2 N2 78.2(2) . . ?
O5 Dy2 N2 68.03(17) . . ?
O9 Dy2 N2 125.09(19) . . ?
O4 Dy2 C34 85.8(2) . . ?
O2 Dy2 C34 99.3(2) . . ?
O7 Dy2 C34 109.3(2) . . ?
O7 Dy2 C34 176.7(2) 3_777 . ?
O10 Dy2 C34 26.4(2) . . ?
O5 Dy2 C34 108.9(2) . . ?
O9 Dy2 C34 27.3(2) . . ?
N2 Dy2 C34 100.8(2) . . ?
O4 Dy2 Dy1 140.13(11) . 3_777 ?
O2 Dy2 Dy1 42.62(10) . 3_777 ?
O7 Dy2 Dy1 89.83(10) . 3_777 ?
O7 Dy2 Dy1 43.36(10) 3_777 3_777 ?
O10 Dy2 Dy1 124.30(16) . 3_777 ?
O5 Dy2 Dy1 42.40(11) . 3_777 ?
O9 Dy2 Dy1 129.67(14) . 3_777 ?
N2 Dy2 Dy1 97.31(13) . 3_777 ?
C34 Dy2 Dy1 133.94(19) . 3_777 ?
O4 Dy2 Dy2 82.27(11) . 3_777 ?
O2 Dy2 Dy2 75.06(11) . 3_777 ?
O7 Dy2 Dy2 35.12(11) . 3_777 ?
O7 Dy2 Dy2 34.77(11) 3_777 3_777 ?
O10 Dy2 Dy2 170.29(15) . 3_777 ?
O5 Dy2 Dy2 101.59(11) . 3_777 ?
O9 Dy2 Dy2 117.33(14) . 3_777 ?
N2 Dy2 Dy2 107.69(13) . 3_777 ?
C34 Dy2 Dy2 144.3(2) . 3_777 ?
Dy1 Dy2 Dy2 63.432(10) 3_777 3_777 ?
O4 Dy2 Dy1 34.34(11) . . ?
O2 Dy2 Dy1 114.02(11) . . ?
O7 Dy2 Dy1 35.83(10) . . ?
O7 Dy2 Dy1 80.71(10) 3_777 . ?
O10 Dy2 Dy1 118.18(16) . . ?
O5 Dy2 Dy1 149.96(11) . . ?
O9 Dy2 Dy1 83.17(14) . . ?
N2 Dy2 Dy1 100.81(13) . . ?
C34 Dy2 Dy1 100.5(2) . . ?
Dy1 Dy2 Dy1 117.181(9) 3_777 . ?
Dy2 Dy2 Dy1 53.749(8) 3_777 . ?
C7 N1 C8 120.3(6) . . ?
C7 N1 Dy1 128.3(5) . . ?
C8 N1 Dy1 111.4(4) . . ?
C22 N2 C23 118.6(6) . . ?
C22 N2 Dy2 125.6(5) . . ?
C23 N2 Dy2 114.4(4) . . ?
C31 N3 C32 123.4(11) . . ?
C31 N3 C33B 123.0(12) . . ?
C32 N3 C33B 105.0(14) . . ?
C31 N3 C33A 118.9(10) . . ?
C32 N3 C33A 113.4(11) . . ?
C1 O1 Dy1 134.7(5) . . ?
C13 O2 Dy2 137.7(4) . . ?
C13 O2 Dy1 116.3(4) . 3_777 ?
Dy2 O2 Dy1 96.12(15) . 3_777 ?
C2 O3 C14 119.6(10) . . ?
C16 O4 Dy2 128.5(4) . . ?
C16 O4 Dy1 118.7(4) . . ?
Dy2 O4 Dy1 112.41(17) . . ?
C28 O5 Dy1 118.0(4) . 3_777 ?
C28 O5 Dy2 120.1(4) . . ?
Dy1 O5 Dy2 94.71(16) 3_777 . ?
C17 O6 C29 118.7(6) . . ?
C17 O6 Dy1 111.7(4) . . ?
C29 O6 Dy1 129.4(5) . . ?
Dy2 O7 Dy2 110.11(17) . 3_777 ?
Dy2 O7 Dy1 109.46(16) . . ?
Dy2 O7 Dy1 94.27(15) 3_777 . ?
Dy2 O7 H1 105(6) . . ?
Dy2 O7 H1 137(6) 3_777 . ?
Dy1 O7 H1 97(6) . . ?
C31 O8 Dy1 154.7(7) . . ?
C34 O9 Dy2 89.8(5) . . ?
C34 O10 Dy2 94.3(5) . . ?

_refine_diff_density_max         2.312
_refine_diff_density_min         -1.145
_refine_diff_density_rms         0.135



