# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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 1515084'
_audit_update_record             
;
2016-11-21 deposited with the CCDC.
2016-11-23 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         'C66 H60 Dy2 N6 O14'
_chemical_formula_sum            'C66 H60 Dy2 N6 O14'
_chemical_formula_weight         1486.20

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           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   26.984(16)
_cell_length_b                   10.811(7)
_cell_length_c                   21.325(13)
_cell_angle_alpha                90
_cell_angle_beta                 103.361(11)
_cell_angle_gamma                90
_cell_volume                     6053(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3165
_cell_measurement_theta_min      2.70
_cell_measurement_theta_max      21.92

_exptl_crystal_description       block
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_F_000             2968
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    2.522
_shelx_estimated_absorpt_T_min   0.539
_shelx_estimated_absorpt_T_max   0.660
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.5386
_exptl_absorpt_correction_T_max  0.6595
_exptl_absorpt_process_details   'SADABS V2012/1(Bruker AXS Inc.)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13848
_diffrn_reflns_av_unetI/netI     0.0682
_diffrn_reflns_av_R_equivalents  0.0583
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.182
_diffrn_reflns_theta_max         24.507
_diffrn_reflns_theta_full        24.507
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measured_fraction_theta_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_point_group_measured_fraction_full 0.976
_reflns_number_total             4918
_reflns_number_gt                3566
_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 SMART APEX II'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0745P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4918
_refine_ls_number_parameters     397
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0444
_refine_ls_wR_factor_ref         0.1277
_refine_ls_wR_factor_gt          0.1142
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_restrained_S_all      0.997
_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
Dy1 Dy 0.93636(2) 0.03016(3) 0.94584(2) 0.03636(15) Uani 1 1 d . . . . .
N1 N 0.9264(2) 0.2525(6) 0.9289(3) 0.0396(14) Uani 1 1 d . . . . .
N2 N 0.8935(2) 0.2890(6) 0.8720(3) 0.0460(15) Uani 1 1 d . . . . .
H2 H 0.8906 0.3642 0.8585 0.055 Uiso 1 1 calc R U . . .
N3 N 1.0520(3) 0.1812(9) 0.8357(4) 0.072(2) Uani 1 1 d . . . . .
O1 O 1.00118(16) 0.1214(4) 1.0221(2) 0.0388(11) Uani 1 1 d . . . . .
O2 O 0.87353(18) 0.0864(5) 0.8615(2) 0.0494(12) Uani 1 1 d . . . . .
O3 O 1.06364(19) 0.1323(5) 1.1367(2) 0.0464(12) Uani 1 1 d . . . . .
O4 O 0.8519(2) 0.4392(5) 0.7831(3) 0.0674(17) Uani 1 1 d . . . . .
O5 O 0.9945(2) 0.0867(6) 0.8804(2) 0.0536(13) Uani 1 1 d . . . . .
O6 O 0.89592(19) 0.0917(5) 1.0213(2) 0.0483(12) Uani 1 1 d . . . . .
O7 O 0.88710(19) -0.1309(4) 0.9641(2) 0.0485(13) Uani 1 1 d . . . . .
C1 C 0.9757(3) 0.3324(7) 1.0299(4) 0.0441(18) Uani 1 1 d . . . . .
C2 C 1.0034(3) 0.2284(7) 1.0545(3) 0.0377(16) Uani 1 1 d . . . . .
C3 C 1.0353(3) 0.2387(6) 1.1153(3) 0.0407(17) Uani 1 1 d . . . . .
C4 C 1.0381(3) 0.3409(8) 1.1518(4) 0.060(2) Uani 1 1 d . . . . .
H4 H 1.0592 0.3427 1.1930 0.072 Uiso 1 1 calc R U . . .
C5 C 1.0095(4) 0.4435(8) 1.1273(5) 0.070(3) Uani 1 1 d . . . . .
H5 H 1.0112 0.5150 1.1520 0.084 Uiso 1 1 calc R U . . .
C6 C 0.9791(3) 0.4397(7) 1.0679(5) 0.059(2) Uani 1 1 d . . . . .
H6 H 0.9600 0.5090 1.0516 0.071 Uiso 1 1 calc R U . . .
C7 C 0.9424(3) 0.3420(7) 0.9667(4) 0.0427(17) Uani 1 1 d . . . . .
H7 H 0.9317 0.4209 0.9523 0.051 Uiso 1 1 calc R U . . .
C8 C 0.8674(3) 0.1974(7) 0.8413(3) 0.0399(17) Uani 1 1 d . . . . .
C9 C 0.8286(3) 0.2254(7) 0.7831(3) 0.0374(16) Uani 1 1 d . . . . .
C10 C 0.8218(3) 0.3440(8) 0.7570(3) 0.0474(19) Uani 1 1 d . . . . .
C11 C 0.7836(3) 0.3649(9) 0.7031(4) 0.058(2) Uani 1 1 d . . . . .
H11 H 0.7795 0.4442 0.6857 0.070 Uiso 1 1 calc R U . . .
C12 C 0.7517(3) 0.2745(9) 0.6745(4) 0.061(2) Uani 1 1 d . . . . .
H12 H 0.7260 0.2911 0.6382 0.073 Uiso 1 1 calc R U . . .
C13 C 0.7580(3) 0.1575(9) 0.7001(4) 0.059(2) Uani 1 1 d . . . . .
H13 H 0.7365 0.0938 0.6813 0.071 Uiso 1 1 calc R U . . .
C14 C 0.7961(3) 0.1353(7) 0.7534(4) 0.0493(19) Uani 1 1 d . . . . .
H14 H 0.8000 0.0556 0.7702 0.059 Uiso 1 1 calc R U . . .
C15 C 1.1005(4) 0.1449(10) 1.1951(4) 0.096(4) Uani 1 1 d . U . . .
H15A H 1.1179 0.0677 1.2059 0.144 Uiso 1 1 calc R U . . .
H15B H 1.1245 0.2077 1.1905 0.144 Uiso 1 1 calc R U . . .
H15C H 1.0840 0.1681 1.2288 0.144 Uiso 1 1 calc R U . . .
C16 C 0.8759(3) 0.2421(8) 1.1134(4) 0.057(2) Uani 1 1 d . . . . .
H16 H 0.9039 0.2576 1.0962 0.068 Uiso 1 1 calc R U . . .
C17 C 0.8636(4) 0.3261(8) 1.1563(4) 0.070(3) Uani 1 1 d . . . . .
H17 H 0.8822 0.3986 1.1665 0.084 Uiso 1 1 calc R U . . .
C18 C 0.8231(4) 0.3005(8) 1.1837(4) 0.065(3) Uani 1 1 d . . . . .
H18 H 0.8148 0.3546 1.2136 0.079 Uiso 1 1 calc R U . . .
C19 C 0.7953(3) 0.1952(9) 1.1665(4) 0.067(3) Uani 1 1 d . . . . .
H19 H 0.7675 0.1784 1.1840 0.080 Uiso 1 1 calc R U . . .
C20 C 0.8081(3) 0.1158(9) 1.1245(4) 0.059(2) Uani 1 1 d . . . . .
H20 H 0.7894 0.0434 1.1142 0.071 Uiso 1 1 calc R U . . .
C21 C 0.8484(3) 0.1389(7) 1.0960(3) 0.0397(17) Uani 1 1 d . . . . .
C22 C 0.8644(3) 0.0517(7) 1.0507(3) 0.0407(17) Uani 1 1 d . . . . .
C23 C 0.8444(3) -0.0668(7) 1.0427(4) 0.051(2) Uani 1 1 d . . . . .
H23 H 0.8208 -0.0891 1.0664 0.061 Uiso 1 1 calc R U . . .
C24 C 0.8576(3) -0.1550(7) 1.0011(3) 0.0398(17) Uani 1 1 d . . . . .
C25 C 0.8375(3) -0.2802(7) 0.9987(3) 0.0411(17) Uani 1 1 d . . . . .
C26 C 0.8068(4) -0.3237(8) 1.0381(4) 0.067(3) Uani 1 1 d . . . . .
H26 H 0.7962 -0.2695 1.0663 0.080 Uiso 1 1 calc R U . . .
C27 C 0.7921(4) -0.4438(9) 1.0360(5) 0.079(3) Uani 1 1 d . . . . .
H27 H 0.7739 -0.4725 1.0652 0.095 Uiso 1 1 calc R U . . .
C28 C 0.8032(4) -0.5208(8) 0.9931(5) 0.074(3) Uani 1 1 d . . . . .
H28 H 0.7913 -0.6018 0.9910 0.088 Uiso 1 1 calc R U . . .
C29 C 0.8323(3) -0.4821(8) 0.9514(5) 0.061(2) Uani 1 1 d . . . . .
H29 H 0.8398 -0.5360 0.9209 0.073 Uiso 1 1 calc R U . . .
C30 C 0.8496(3) -0.3649(8) 0.9558(4) 0.055(2) Uani 1 1 d . . . . .
H30 H 0.8704 -0.3398 0.9290 0.066 Uiso 1 1 calc R U . . .
C31 C 1.0211(4) 0.1747(11) 0.8746(5) 0.078(3) Uani 1 1 d . . . . .
H31 H 1.0193 0.2435 0.9001 0.094 Uiso 1 1 calc R U . . .
C32 C 1.0809(5) 0.2952(12) 0.8336(8) 0.132(5) Uani 1 1 d . . . . .
H32A H 1.1017 0.2859 0.8030 0.198 Uiso 1 1 calc R U . . .
H32B H 1.0578 0.3629 0.8209 0.198 Uiso 1 1 calc R U . . .
H32C H 1.1022 0.3114 0.8755 0.198 Uiso 1 1 calc R U . . .
C33 C 1.0633(4) 0.0819(13) 0.8001(5) 0.096(3) Uani 1 1 d . . . . .
H33A H 1.0421 0.0128 0.8045 0.144 Uiso 1 1 d R U . . .
H33B H 1.0984 0.0593 0.8156 0.144 Uiso 1 1 d R U . . .
H33C H 1.0574 0.1050 0.7555 0.144 Uiso 1 1 d R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O6 2.244(5) . ?
Dy1 O2 2.251(5) . ?
Dy1 O7 2.279(5) . ?
Dy1 O1 2.315(4) . ?
Dy1 O1 2.337(4) 5_757 ?
Dy1 O5 2.409(5) . ?
Dy1 N1 2.437(6) . ?
Dy1 O3 2.486(5) 5_757 ?
Dy1 Dy1 3.7269(18) 5_757 ?
N1 C7 1.270(9) . ?
N1 N2 1.384(8) . ?
N2 C8 1.301(9) . ?
N2 H2 0.8600 . ?
N3 C31 1.306(11) . ?
N3 C33 1.390(13) . ?
N3 C32 1.465(14) . ?
O1 C2 1.342(8) . ?
O1 Dy1 2.336(4) 5_757 ?
O2 C8 1.273(8) . ?
O3 C3 1.399(8) . ?
O3 C15 1.410(9) . ?
O3 Dy1 2.486(5) 5_757 ?
O4 C10 1.348(10) . ?
O5 C31 1.214(12) . ?
O6 C22 1.244(8) . ?
O7 C24 1.272(8) . ?
C1 C2 1.384(10) . ?
C1 C6 1.406(10) . ?
C1 C7 1.439(10) . ?
C2 C3 1.385(10) . ?
C3 C4 1.344(10) . ?
C4 C5 1.384(12) . ?
C4 H4 0.9300 . ?
C5 C6 1.341(12) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.458(10) . ?
C9 C14 1.365(10) . ?
C9 C10 1.393(11) . ?
C10 C11 1.374(10) . ?
C11 C12 1.351(12) . ?
C11 H11 0.9300 . ?
C12 C13 1.372(12) . ?
C12 H12 0.9300 . ?
C13 C14 1.365(10) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C21 1.344(11) . ?
C16 C17 1.382(11) . ?
C16 H16 0.9300 . ?
C17 C18 1.380(12) . ?
C17 H17 0.9300 . ?
C18 C19 1.367(13) . ?
C18 H18 0.9300 . ?
C19 C20 1.342(11) . ?
C19 H19 0.9300 . ?
C20 C21 1.387(10) . ?
C20 H20 0.9300 . ?
C21 C22 1.483(10) . ?
C22 C23 1.385(10) . ?
C23 C24 1.404(10) . ?
C23 H23 0.9300 . ?
C24 C25 1.455(10) . ?
C25 C30 1.386(10) . ?
C25 C26 1.392(11) . ?
C26 C27 1.356(12) . ?
C26 H26 0.9300 . ?
C27 C28 1.322(14) . ?
C27 H27 0.9300 . ?
C28 C29 1.379(14) . ?
C28 H28 0.9300 . ?
C29 C30 1.346(11) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 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
O6 Dy1 O2 95.24(19) . . ?
O6 Dy1 O7 72.80(18) . . ?
O2 Dy1 O7 88.9(2) . . ?
O6 Dy1 O1 77.52(17) . . ?
O2 Dy1 O1 138.86(19) . . ?
O7 Dy1 O1 125.54(17) . . ?
O6 Dy1 O1 115.81(18) . 5_757 ?
O2 Dy1 O1 141.49(17) . 5_757 ?
O7 Dy1 O1 79.85(18) . 5_757 ?
O1 Dy1 O1 73.51(18) . 5_757 ?
O6 Dy1 O5 146.2(2) . . ?
O2 Dy1 O5 86.56(19) . . ?
O7 Dy1 O5 141.02(18) . . ?
O1 Dy1 O5 79.11(18) . . ?
O1 Dy1 O5 79.92(18) 5_757 . ?
O6 Dy1 N1 76.04(19) . . ?
O2 Dy1 N1 65.03(19) . . ?
O7 Dy1 N1 136.96(18) . . ?
O1 Dy1 N1 73.97(18) . . ?
O1 Dy1 N1 141.49(17) 5_757 . ?
O5 Dy1 N1 74.20(19) . . ?
O6 Dy1 O3 142.81(18) . 5_757 ?
O2 Dy1 O3 75.45(18) . 5_757 ?
O7 Dy1 O3 71.13(17) . 5_757 ?
O1 Dy1 O3 132.40(16) . 5_757 ?
O1 Dy1 O3 66.05(16) 5_757 5_757 ?
O5 Dy1 O3 70.27(18) . 5_757 ?
N1 Dy1 O3 127.57(18) . 5_757 ?
O6 Dy1 Dy1 97.97(14) . 5_757 ?
O2 Dy1 Dy1 163.41(13) . 5_757 ?
O7 Dy1 Dy1 104.52(14) . 5_757 ?
O1 Dy1 Dy1 36.95(11) . 5_757 ?
O1 Dy1 Dy1 36.56(11) 5_757 5_757 ?
O5 Dy1 Dy1 76.88(14) . 5_757 ?
N1 Dy1 Dy1 108.60(13) . 5_757 ?
O3 Dy1 Dy1 99.46(11) 5_757 5_757 ?
C7 N1 N2 113.3(6) . . ?
C7 N1 Dy1 130.3(5) . . ?
N2 N1 Dy1 116.0(4) . . ?
C8 N2 N1 112.7(6) . . ?
C8 N2 H2 123.6 . . ?
N1 N2 H2 123.6 . . ?
C31 N3 C33 124.0(10) . . ?
C31 N3 C32 119.2(10) . . ?
C33 N3 C32 116.5(9) . . ?
C2 O1 Dy1 131.7(4) . . ?
C2 O1 Dy1 120.7(4) . 5_757 ?
Dy1 O1 Dy1 106.49(18) . 5_757 ?
C8 O2 Dy1 122.7(5) . . ?
C3 O3 C15 115.4(6) . . ?
C3 O3 Dy1 116.1(4) . 5_757 ?
C15 O3 Dy1 125.4(5) . 5_757 ?
C31 O5 Dy1 137.5(6) . . ?
C22 O6 Dy1 139.5(5) . . ?
C24 O7 Dy1 137.4(5) . . ?
C2 C1 C6 119.6(7) . . ?
C2 C1 C7 125.4(7) . . ?
C6 C1 C7 115.1(7) . . ?
O1 C2 C1 123.3(6) . . ?
O1 C2 C3 119.7(6) . . ?
C1 C2 C3 117.0(7) . . ?
C4 C3 C2 123.2(7) . . ?
C4 C3 O3 122.3(7) . . ?
C2 C3 O3 114.5(6) . . ?
C3 C4 C5 119.3(8) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
C6 C5 C4 119.8(8) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C5 C6 C1 121.0(8) . . ?
C5 C6 H6 119.5 . . ?
C1 C6 H6 119.5 . . ?
N1 C7 C1 125.9(7) . . ?
N1 C7 H7 117.0 . . ?
C1 C7 H7 117.0 . . ?
O2 C8 N2 122.3(7) . . ?
O2 C8 C9 119.7(6) . . ?
N2 C8 C9 117.9(7) . . ?
C14 C9 C10 117.3(7) . . ?
C14 C9 C8 120.3(7) . . ?
C10 C9 C8 122.3(6) . . ?
O4 C10 C11 118.9(8) . . ?
O4 C10 C9 121.7(7) . . ?
C11 C10 C9 119.4(8) . . ?
C12 C11 C10 122.3(9) . . ?
C12 C11 H11 118.8 . . ?
C10 C11 H11 118.8 . . ?
C11 C12 C13 118.7(8) . . ?
C11 C12 H12 120.7 . . ?
C13 C12 H12 120.7 . . ?
C14 C13 C12 119.6(8) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C9 C14 C13 122.7(8) . . ?
C9 C14 H14 118.6 . . ?
C13 C14 H14 118.6 . . ?
O3 C15 H15A 109.5 . . ?
O3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 121.9(8) . . ?
C21 C16 H16 119.1 . . ?
C17 C16 H16 119.1 . . ?
C18 C17 C16 118.9(9) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 H17 120.6 . . ?
C19 C18 C17 119.5(8) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C20 C19 C18 120.1(8) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 121.8(8) . . ?
C19 C20 H20 119.1 . . ?
C21 C20 H20 119.1 . . ?
C16 C21 C20 117.7(7) . . ?
C16 C21 C22 119.0(7) . . ?
C20 C21 C22 123.2(7) . . ?
O6 C22 C23 123.6(7) . . ?
O6 C22 C21 116.2(6) . . ?
C23 C22 C21 120.2(7) . . ?
C22 C23 C24 123.8(7) . . ?
C22 C23 H23 118.1 . . ?
C24 C23 H23 118.1 . . ?
O7 C24 C23 122.7(7) . . ?
O7 C24 C25 116.7(6) . . ?
C23 C24 C25 120.5(7) . . ?
C30 C25 C26 116.1(7) . . ?
C30 C25 C24 119.7(7) . . ?
C26 C25 C24 124.2(7) . . ?
C27 C26 C25 120.9(9) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C28 C27 C26 121.0(9) . . ?
C28 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
C27 C28 C29 120.6(8) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C30 C29 C28 118.8(8) . . ?
C30 C29 H29 120.6 . . ?
C28 C29 H29 120.6 . . ?
C29 C30 C25 122.4(8) . . ?
C29 C30 H30 118.8 . . ?
C25 C30 H30 118.8 . . ?
O5 C31 N3 125.8(11) . . ?
O5 C31 H31 117.1 . . ?
N3 C31 H31 117.1 . . ?
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 109.6 . . ?
N3 C33 H33B 109.4 . . ?
H33A C33 H33B 109.5 . . ?
N3 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 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
C7 N1 N2 C8 -163.5(6) . . . . ?
Dy1 N1 N2 C8 9.6(7) . . . . ?
Dy1 O1 C2 C1 -30.2(9) . . . . ?
Dy1 O1 C2 C1 163.6(5) 5_757 . . . ?
Dy1 O1 C2 C3 151.0(5) . . . . ?
Dy1 O1 C2 C3 -15.1(8) 5_757 . . . ?
C6 C1 C2 O1 178.1(7) . . . . ?
C7 C1 C2 O1 -1.8(11) . . . . ?
C6 C1 C2 C3 -3.1(11) . . . . ?
C7 C1 C2 C3 177.0(7) . . . . ?
O1 C2 C3 C4 -177.3(7) . . . . ?
C1 C2 C3 C4 3.8(11) . . . . ?
O1 C2 C3 O3 1.1(9) . . . . ?
C1 C2 C3 O3 -177.8(6) . . . . ?
C15 O3 C3 C4 -8.4(11) . . . . ?
Dy1 O3 C3 C4 -169.6(6) 5_757 . . . ?
C15 O3 C3 C2 173.2(7) . . . . ?
Dy1 O3 C3 C2 12.0(7) 5_757 . . . ?
C2 C3 C4 C5 -2.5(13) . . . . ?
O3 C3 C4 C5 179.3(8) . . . . ?
C3 C4 C5 C6 0.3(15) . . . . ?
C4 C5 C6 C1 0.3(15) . . . . ?
C2 C1 C6 C5 1.1(13) . . . . ?
C7 C1 C6 C5 -178.9(8) . . . . ?
N2 N1 C7 C1 178.0(6) . . . . ?
Dy1 N1 C7 C1 6.1(10) . . . . ?
C2 C1 C7 N1 13.3(12) . . . . ?
C6 C1 C7 N1 -166.6(7) . . . . ?
Dy1 O2 C8 N2 -7.7(9) . . . . ?
Dy1 O2 C8 C9 174.8(4) . . . . ?
N1 N2 C8 O2 -2.0(9) . . . . ?
N1 N2 C8 C9 175.5(5) . . . . ?
O2 C8 C9 C14 5.5(10) . . . . ?
N2 C8 C9 C14 -172.0(7) . . . . ?
O2 C8 C9 C10 -176.9(6) . . . . ?
N2 C8 C9 C10 5.5(10) . . . . ?
C14 C9 C10 O4 179.7(7) . . . . ?
C8 C9 C10 O4 2.0(11) . . . . ?
C14 C9 C10 C11 -0.5(10) . . . . ?
C8 C9 C10 C11 -178.1(7) . . . . ?
O4 C10 C11 C12 -179.5(8) . . . . ?
C9 C10 C11 C12 0.6(12) . . . . ?
C10 C11 C12 C13 -0.4(13) . . . . ?
C11 C12 C13 C14 -0.1(13) . . . . ?
C10 C9 C14 C13 0.1(11) . . . . ?
C8 C9 C14 C13 177.8(7) . . . . ?
C12 C13 C14 C9 0.2(12) . . . . ?
C21 C16 C17 C18 2.5(14) . . . . ?
C16 C17 C18 C19 -1.9(14) . . . . ?
C17 C18 C19 C20 1.6(15) . . . . ?
C18 C19 C20 C21 -1.8(14) . . . . ?
C17 C16 C21 C20 -2.6(13) . . . . ?
C17 C16 C21 C22 -178.8(8) . . . . ?
C19 C20 C21 C16 2.3(13) . . . . ?
C19 C20 C21 C22 178.4(8) . . . . ?
Dy1 O6 C22 C23 2.6(12) . . . . ?
Dy1 O6 C22 C21 -177.2(5) . . . . ?
C16 C21 C22 O6 -14.5(10) . . . . ?
C20 C21 C22 O6 169.5(7) . . . . ?
C16 C21 C22 C23 165.8(8) . . . . ?
C20 C21 C22 C23 -10.3(11) . . . . ?
O6 C22 C23 C24 0.5(12) . . . . ?
C21 C22 C23 C24 -179.8(7) . . . . ?
Dy1 O7 C24 C23 5.6(11) . . . . ?
Dy1 O7 C24 C25 -174.4(5) . . . . ?
C22 C23 C24 O7 -4.2(12) . . . . ?
C22 C23 C24 C25 175.8(7) . . . . ?
O7 C24 C25 C30 -2.2(10) . . . . ?
C23 C24 C25 C30 177.9(7) . . . . ?
O7 C24 C25 C26 176.7(7) . . . . ?
C23 C24 C25 C26 -3.3(11) . . . . ?
C30 C25 C26 C27 3.1(13) . . . . ?
C24 C25 C26 C27 -175.8(9) . . . . ?
C25 C26 C27 C28 -5.2(17) . . . . ?
C26 C27 C28 C29 3.3(17) . . . . ?
C27 C28 C29 C30 0.7(15) . . . . ?
C28 C29 C30 C25 -2.8(14) . . . . ?
C26 C25 C30 C29 0.9(12) . . . . ?
C24 C25 C30 C29 179.8(8) . . . . ?
Dy1 O5 C31 N3 177.0(6) . . . . ?
C33 N3 C31 O5 -7.7(16) . . . . ?
C32 N3 C31 O5 178.9(10) . . . . ?

_refine_diff_density_max         1.249
_refine_diff_density_min         -1.590
_refine_diff_density_rms         0.145

####################################################################### 
# 
# 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 1515085'
_audit_update_record             
;
2016-11-21 deposited with the CCDC.
2016-11-23 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         'C76 H82 Dy2 N8 O16'
_chemical_formula_sum            'C76 H82 Dy2 N8 O16'
_chemical_formula_weight         1688.49

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

_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                   17.6437(7)
_cell_length_b                   12.2553(5)
_cell_length_c                   18.4911(8)
_cell_angle_alpha                90
_cell_angle_beta                 113.0170(10)
_cell_angle_gamma                90
_cell_volume                     3680.0(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9908
_cell_measurement_theta_min      2.51
_cell_measurement_theta_max      28.01

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            'LIGHT YELLOW'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_F_000             1708
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.170
_exptl_absorpt_coefficient_mu    2.087
_shelx_estimated_absorpt_T_min   0.623
_shelx_estimated_absorpt_T_max   0.718
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.623
_exptl_absorpt_correction_T_max  0.701
_exptl_absorpt_process_details   'SADABS V2012/1(Bruker AXS Inc.)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            94559
_diffrn_reflns_av_unetI/netI     0.0401
_diffrn_reflns_av_R_equivalents  0.0658
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.393
_diffrn_reflns_theta_max         28.330
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9032
_reflns_number_gt                6872
_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 SMART APEX II'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0671P)²+74.5046P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9032
_refine_ls_number_parameters     514
_refine_ls_number_restraints     845
_refine_ls_R_factor_all          0.1118
_refine_ls_R_factor_gt           0.0824
_refine_ls_wR_factor_ref         0.2055
_refine_ls_wR_factor_gt          0.1869
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.033
_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
Dy1 Dy 0.42948(2) 0.53149(3) 0.55015(2) 0.02848(14) Uani 1 1 d . . . . .
O1 O 0.4770(3) 0.6003(5) 0.4589(4) 0.0318(13) Uani 1 1 d . . . . .
O2 O 0.3771(6) 0.5718(5) 0.6424(5) 0.0685(17) Uani 1 1 d D U . . .
O3 O 0.5101(5) 0.6123(7) 0.3355(5) 0.058(2) Uani 1 1 d . . . . .
O4 O 0.3988(15) 0.5243(18) 0.7808(12) 0.134(7) Uani 0.439(11) 1 d D U P A 1
O5 O 0.3521(4) 0.3750(5) 0.5151(4) 0.0363(14) Uani 1 1 d . . . . .
O6 O 0.3062(3) 0.5725(5) 0.4505(4) 0.0347(14) Uani 1 1 d . . . . .
O7 O 0.5545(3) 0.6081(5) 0.6367(4) 0.0343(14) Uani 1 1 d . . . . .
N1 N 0.4029(6) 0.7259(8) 0.5551(6) 0.053(2) Uani 1 1 d D . . . .
N2 N 0.3654(6) 0.7559(6) 0.6111(5) 0.0667(18) Uani 1 1 d D U . . .
H2 H 0.3555 0.8232 0.6216 0.080 Uiso 1 1 calc R U . A 1
N3 N 0.6735(5) 0.7008(7) 0.6823(5) 0.044(2) Uani 1 1 d D . . . .
C1 C 0.4399(5) 0.7913(7) 0.4504(5) 0.0289(17) Uani 1 1 d . . . . .
C2 C 0.4673(5) 0.6970(6) 0.4233(5) 0.0294(18) Uani 1 1 d . . . . .
C3 C 0.4848(5) 0.7104(7) 0.3551(5) 0.0295(17) Uani 1 1 d . . . . .
C4 C 0.4778(5) 0.8110(7) 0.3184(5) 0.0301(18) Uani 1 1 d . . . . .
H4 H 0.4893 0.8174 0.2725 0.036 Uiso 1 1 calc R U . . .
C5 C 0.4539(5) 0.9025(7) 0.3488(5) 0.0321(18) Uani 1 1 d . . . . .
H5 H 0.4506 0.9718 0.3247 0.038 Uiso 1 1 calc R U . . .
C6 C 0.4351(5) 0.8919(7) 0.4137(5) 0.0313(18) Uani 1 1 d . . . . .
H6 H 0.4184 0.9545 0.4340 0.038 Uiso 1 1 calc R U . . .
C7 C 0.4144(7) 0.7906(12) 0.5162(6) 0.063(3) Uani 1 1 d . U . . .
H7 H 0.4048 0.8622 0.5304 0.075 Uiso 1 1 calc R U . . .
C8 C 0.3472(14) 0.6591(9) 0.6464(12) 0.0728(9) Uani 0.439(11) 1 d D U P A 1
C9 C 0.3272(9) 0.6900(16) 0.7175(9) 0.0728(9) Uani 0.439(11) 1 d DG U P A 1
C14 C 0.3538(9) 0.6211(13) 0.7823(12) 0.0728(9) Uani 0.439(11) 1 d DG U P A 1
C13 C 0.3368(13) 0.6465(15) 0.8477(10) 0.0728(9) Uani 0.439(11) 1 d G U P A 1
H13 H 0.3550 0.5994 0.8921 0.087 Uiso 0.439(11) 1 calc R U P A 1
C12 C 0.2932(13) 0.7407(17) 0.8483(10) 0.0728(9) Uani 0.439(11) 1 d G U P A 1
H12 H 0.2816 0.7580 0.8930 0.087 Uiso 0.439(11) 1 calc R U P A 1
C11 C 0.2666(12) 0.8096(14) 0.7834(13) 0.0728(9) Uani 0.439(11) 1 d G U P A 1
H11 H 0.2367 0.8740 0.7837 0.087 Uiso 0.439(11) 1 calc R U P A 1
C10 C 0.2835(11) 0.7843(16) 0.7180(10) 0.0728(9) Uani 0.439(11) 1 d G U P A 1
H10 H 0.2653 0.8313 0.6736 0.087 Uiso 0.439(11) 1 calc R U P A 1
C15 C 0.5182(9) 0.6137(12) 0.2670(10) 0.078(4) Uani 1 1 d . . . . .
H15A H 0.5540 0.6745 0.2662 0.117 Uiso 1 1 calc R U . . .
H15B H 0.4640 0.6229 0.2243 0.117 Uiso 1 1 calc R U . . .
H15C H 0.5427 0.5448 0.2599 0.117 Uiso 1 1 calc R U . . .
C16 C 0.3146(6) 0.1656(8) 0.5327(6) 0.042(2) Uani 1 1 d . . . . .
H16 H 0.3680 0.1940 0.5619 0.051 Uiso 1 1 calc R U . . .
C17 C 0.2976(7) 0.0570(9) 0.5414(7) 0.051(3) Uani 1 1 d . . . . .
H17 H 0.3389 0.0120 0.5776 0.061 Uiso 1 1 calc R U . . .
C18 C 0.2214(8) 0.0144(9) 0.4980(7) 0.058(3) Uani 1 1 d . . . . .
H18 H 0.2104 -0.0603 0.5033 0.069 Uiso 1 1 calc R U . . .
C19 C 0.1611(7) 0.0800(8) 0.4468(7) 0.055(3) Uani 1 1 d . . . . .
H19 H 0.1082 0.0507 0.4171 0.066 Uiso 1 1 calc R U . . .
C20 C 0.1775(6) 0.1898(8) 0.4384(7) 0.043(2) Uani 1 1 d . . . . .
H20 H 0.1358 0.2348 0.4027 0.052 Uiso 1 1 calc R U . . .
C21 C 0.2544(5) 0.2329(7) 0.4820(5) 0.0314(18) Uani 1 1 d . . . . .
C22 C 0.2757(5) 0.3503(7) 0.4773(5) 0.0301(18) Uani 1 1 d . . . . .
C23 C 0.2163(5) 0.4266(7) 0.4358(5) 0.0294(17) Uani 1 1 d . . . . .
H23 H 0.1604 0.4037 0.4140 0.035 Uiso 1 1 calc R U . . .
C24 C 0.2336(5) 0.5341(7) 0.4241(5) 0.0261(16) Uani 1 1 d . . . . .
C25 C 0.1667(5) 0.6105(7) 0.3781(5) 0.0276(17) Uani 1 1 d . . . . .
C26 C 0.0863(5) 0.5790(7) 0.3313(5) 0.0299(17) Uani 1 1 d . . . . .
H26 H 0.0721 0.5038 0.3264 0.036 Uiso 1 1 calc R U . . .
C27 C 0.0276(5) 0.6549(8) 0.2926(6) 0.039(2) Uani 1 1 d . . . . .
H27 H -0.0267 0.6318 0.2608 0.047 Uiso 1 1 calc R U . . .
C28 C 0.0466(6) 0.7652(9) 0.2991(6) 0.042(2) Uani 1 1 d . . . . .
H28 H 0.0055 0.8176 0.2724 0.051 Uiso 1 1 calc R U . . .
C29 C 0.1258(7) 0.7981(8) 0.3449(6) 0.046(3) Uani 1 1 d . . . . .
H29 H 0.1392 0.8736 0.3494 0.055 Uiso 1 1 calc R U . . .
C30 C 0.1855(6) 0.7225(8) 0.3841(5) 0.037(2) Uani 1 1 d . . . . .
H30 H 0.2397 0.7462 0.4154 0.045 Uiso 1 1 calc R U . . .
C31 C 0.6771(7) 0.5091(9) 0.7178(6) 0.047(2) Uani 1 1 d . . . . .
H31A H 0.6378 0.4559 0.7224 0.070 Uiso 1 1 calc R U . . .
H31B H 0.7169 0.5287 0.7703 0.070 Uiso 1 1 calc R U . . .
H31C H 0.7063 0.4771 0.6874 0.070 Uiso 1 1 calc R U . . .
C32 C 0.6305(6) 0.6122(9) 0.6756(6) 0.043(2) Uani 1 1 d . . . . .
C33 C 0.6271(7) 0.7985(8) 0.6440(6) 0.046(2) Uani 1 1 d D . . . .
H33A H 0.6132 0.7943 0.5873 0.069 Uiso 1 1 calc R U . . .
H33B H 0.6607 0.8635 0.6653 0.069 Uiso 1 1 calc R U . . .
H33C H 0.5764 0.8029 0.6536 0.069 Uiso 1 1 calc R U . . .
C34 C 0.7615(5) 0.7088(10) 0.7305(6) 0.044(2) Uani 1 1 d D . . . .
H34A H 0.7696 0.7352 0.7830 0.066 Uiso 1 1 calc R U . . .
H34B H 0.7871 0.7599 0.7060 0.066 Uiso 1 1 calc R U . . .
H34C H 0.7870 0.6368 0.7347 0.066 Uiso 1 1 calc R U . . .
O8 O -0.0008(11) 0.673(3) 0.6457(12) 0.044(3) Uani 0.593(10) 1 d D U P B 1
N4 N 0.0678(10) 0.6316(16) 0.5689(10) 0.070(3) Uani 0.593(10) 1 d D U P B 1
C35 C 0.1169(15) 0.568(2) 0.6987(14) 0.070(2) Uani 0.593(10) 1 d . U P B 1
H35A H 0.1694 0.6073 0.7147 0.105 Uiso 0.593(10) 1 calc R U P B 1
H35B H 0.1223 0.4962 0.6785 0.105 Uiso 0.593(10) 1 calc R U P B 1
H35C H 0.1018 0.5601 0.7441 0.105 Uiso 0.593(10) 1 calc R U P B 1
C36 C 0.0572(12) 0.626(2) 0.6415(12) 0.070(2) Uani 0.593(10) 1 d D U P B 1
C37 C 0.0076(14) 0.696(2) 0.5056(11) 0.070(2) Uani 0.593(10) 1 d D U P B 1
H37A H -0.0482 0.6744 0.4987 0.105 Uiso 0.593(10) 1 calc R U P B 1
H37B H 0.0154 0.6835 0.4566 0.105 Uiso 0.593(10) 1 calc R U P B 1
H37C H 0.0155 0.7738 0.5192 0.105 Uiso 0.593(10) 1 calc R U P B 1
C38 C 0.1328(14) 0.568(2) 0.5587(14) 0.070(2) Uani 0.593(10) 1 d D U P B 1
H38A H 0.1796 0.6156 0.5650 0.105 Uiso 0.593(10) 1 calc R U P B 1
H38B H 0.1118 0.5356 0.5060 0.105 Uiso 0.593(10) 1 calc R U P B 1
H38C H 0.1507 0.5098 0.5982 0.105 Uiso 0.593(10) 1 calc R U P B 1
O8A O -0.0039(18) 0.677(5) 0.641(2) 0.060 Uani 0.4072 1 d D U P B 2
C36A C 0.0457(16) 0.645(3) 0.6160(17) 0.069(3) Uani 0.407(10) 1 d D U P B 2
C35A C 0.084(2) 0.539(3) 0.620(2) 0.076(5) Uani 0.407(10) 1 d D U P B 2
H35D H 0.0705 0.4907 0.6550 0.114 Uiso 0.407(10) 1 calc R U P B 2
H35E H 0.1441 0.5478 0.6391 0.114 Uiso 0.407(10) 1 calc R U P B 2
H35F H 0.0640 0.5065 0.5669 0.114 Uiso 0.407(10) 1 calc R U P B 2
C37A C 0.046(2) 0.828(3) 0.563(2) 0.080(6) Uani 0.407(10) 1 d D U P B 2
H37D H 0.0025 0.8402 0.5112 0.121 Uiso 0.407(10) 1 calc R U P B 2
H37E H 0.0946 0.8713 0.5682 0.121 Uiso 0.407(10) 1 calc R U P B 2
H37F H 0.0267 0.8494 0.6039 0.121 Uiso 0.407(10) 1 calc R U P B 2
C38A C 0.122(2) 0.680(3) 0.528(2) 0.075(5) Uani 0.407(10) 1 d . U P B 2
H38D H 0.1734 0.6487 0.5644 0.113 Uiso 0.407(10) 1 calc R U P B 2
H38E H 0.1335 0.7455 0.5032 0.113 Uiso 0.407(10) 1 calc R U P B 2
H38F H 0.0925 0.6268 0.4870 0.113 Uiso 0.407(10) 1 calc R U P B 2
N4A N 0.0682(18) 0.712(2) 0.5720(18) 0.071(3) Uani 0.407(10) 1 d D U P B 2
C9A C 0.3228(2) 0.6928(5) 0.70949(19) 0.0713(15) Uani 0.561(11) 1 d G U P A 2
C14A C 0.3157(5) 0.6188(7) 0.7635(4) 0.0743(17) Uani 0.561(11) 1 d DG U P A 2
H14A H 0.3389 0.5480 0.7678 0.089 Uiso 0.561(11) 1 calc R U P A 2
C13A C 0.2748(8) 0.6486(10) 0.8112(6) 0.0747(17) Uani 0.561(11) 1 d G U P A 2
H13A H 0.2700 0.5981 0.8481 0.090 Uiso 0.561(11) 1 calc R U P A 2
C12A C 0.2409(9) 0.7524(10) 0.8049(8) 0.0746(19) Uani 0.561(11) 1 d G U P A 2
H12A H 0.2129 0.7727 0.8375 0.090 Uiso 0.561(11) 1 calc R U P A 2
C11A C 0.2480(7) 0.8263(8) 0.7509(7) 0.0735(17) Uani 0.561(11) 1 d DG U P A 2
H11A H 0.2249 0.8972 0.7466 0.088 Uiso 0.561(11) 1 calc R U P A 2
C10A C 0.2890(4) 0.7965(6) 0.7032(4) 0.0722(17) Uani 0.561(11) 1 d DG U P A 2
C8A C 0.3724(3) 0.6637(5) 0.6625(2) 0.0703(17) Uani 0.561(11) 1 d D U P A 2
O4A O 0.2830(7) 0.8812(9) 0.6637(6) 0.052(3) Uani 0.561(11) 1 d D U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O2 2.289(8) . ?
Dy1 O6 2.290(6) . ?
Dy1 O5 2.295(6) . ?
Dy1 O1 2.317(6) . ?
Dy1 O7 2.355(6) . ?
Dy1 O1 2.361(6) 3_666 ?
Dy1 N1 2.436(10) . ?
Dy1 O3 2.636(9) 3_666 ?
Dy1 Dy1 3.7198(8) 3_666 ?
O1 C2 1.334(9) . ?
O1 Dy1 2.361(6) 3_666 ?
O2 C8A 1.1994(10) . ?
O2 C8 1.207(14) . ?
O3 C15 1.331(17) . ?
O3 C3 1.380(11) . ?
O3 Dy1 2.636(9) 3_666 ?
O4 C14 1.434(18) . ?
O5 C22 1.289(10) . ?
O6 C24 1.269(10) . ?
O7 C32 1.251(11) . ?
N1 C7 1.140(13) . ?
N1 N2 1.477(12) . ?
N2 C8 1.4498(10) . ?
N2 C8A 1.4499(10) . ?
N2 H2 0.8800 . ?
N3 C32 1.303(13) . ?
N3 C34 1.461(10) . ?
N3 C33 1.467(10) . ?
C1 C6 1.394(12) . ?
C1 C2 1.418(12) . ?
C1 C7 1.453(14) . ?
C2 C3 1.420(13) . ?
C3 C4 1.389(12) . ?
C4 C5 1.391(12) . ?
C4 H4 0.9500 . ?
C5 C6 1.370(12) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.536(16) . ?
C9 C14 1.3900 . ?
C9 C10 1.3900 . ?
C14 C13 1.3900 . ?
C13 C12 1.3900 . ?
C13 H13 0.9500 . ?
C12 C11 1.3900 . ?
C12 H12 0.9500 . ?
C11 C10 1.3900 . ?
C11 H11 0.9500 . ?
C10 H10 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C21 1.382(13) . ?
C16 C17 1.388(14) . ?
C16 H16 0.9500 . ?
C17 C18 1.371(16) . ?
C17 H17 0.9500 . ?
C18 C19 1.373(16) . ?
C18 H18 0.9500 . ?
C19 C20 1.396(14) . ?
C19 H19 0.9500 . ?
C20 C21 1.383(13) . ?
C20 H20 0.9500 . ?
C21 C22 1.499(12) . ?
C22 C23 1.390(12) . ?
C23 C24 1.388(12) . ?
C23 H23 0.9500 . ?
C24 C25 1.487(12) . ?
C25 C26 1.398(11) . ?
C25 C30 1.405(12) . ?
C26 C27 1.367(13) . ?
C26 H26 0.9500 . ?
C27 C28 1.386(14) . ?
C27 H27 0.9500 . ?
C28 C29 1.381(14) . ?
C28 H28 0.9500 . ?
C29 C30 1.378(14) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.543(15) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
O8 C36 1.2001(10) . ?
N4 C36 1.428(15) . ?
N4 C38 1.459(15) . ?
N4 C37 1.466(15) . ?
C35 C36 1.36(3) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
O8A C36A 1.2000(10) . ?
C36A N4A 1.32(4) . ?
C36A C35A 1.458(19) . ?
C35A H35D 0.9800 . ?
C35A H35E 0.9800 . ?
C35A H35F 0.9800 . ?
C37A N4A 1.467(19) . ?
C37A H37D 0.9800 . ?
C37A H37E 0.9800 . ?
C37A H37F 0.9800 . ?
C38A N4A 1.52(4) . ?
C38A H38D 0.9800 . ?
C38A H38E 0.9800 . ?
C38A H38F 0.9800 . ?
C9A C14A 1.3900 . ?
C9A C10A 1.3900 . ?
C9A C8A 1.4968 . ?
C14A C13A 1.3900 . ?
C14A H14A 0.9500 . ?
C13A C12A 1.3900 . ?
C13A H13A 0.9500 . ?
C12A C11A 1.3900 . ?
C12A H12A 0.9500 . ?
C11A C10A 1.3900 . ?
C11A H11A 0.9500 . ?
C10A O4A 1.249(11) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Dy1 O6 91.1(3) . . ?
O2 Dy1 O5 91.3(3) . . ?
O6 Dy1 O5 71.5(2) . . ?
O2 Dy1 O1 146.2(2) . . ?
O6 Dy1 O1 80.4(2) . . ?
O5 Dy1 O1 116.3(2) . . ?
O2 Dy1 O7 87.2(3) . . ?
O6 Dy1 O7 143.3(2) . . ?
O5 Dy1 O7 145.1(2) . . ?
O1 Dy1 O7 80.9(2) . . ?
O2 Dy1 O1 134.2(3) . 3_666 ?
O6 Dy1 O1 124.3(2) . 3_666 ?
O5 Dy1 O1 76.3(2) . 3_666 ?
O1 Dy1 O1 74.7(2) . 3_666 ?
O7 Dy1 O1 80.0(2) . 3_666 ?
O2 Dy1 N1 67.8(3) . . ?
O6 Dy1 N1 71.3(3) . . ?
O5 Dy1 N1 136.5(3) . . ?
O1 Dy1 N1 78.5(3) . . ?
O7 Dy1 N1 74.2(3) . . ?
O1 Dy1 N1 145.2(3) 3_666 . ?
O2 Dy1 O3 72.6(3) . 3_666 ?
O6 Dy1 O3 138.7(2) . 3_666 ?
O5 Dy1 O3 71.2(2) . 3_666 ?
O1 Dy1 O3 132.8(2) . 3_666 ?
O7 Dy1 O3 75.1(2) . 3_666 ?
O1 Dy1 O3 61.6(2) 3_666 3_666 ?
N1 Dy1 O3 130.3(3) . 3_666 ?
O2 Dy1 Dy1 163.7(2) . 3_666 ?
O6 Dy1 Dy1 104.72(16) . 3_666 ?
O5 Dy1 Dy1 97.20(16) . 3_666 ?
O1 Dy1 Dy1 37.74(14) . 3_666 ?
O7 Dy1 Dy1 77.91(15) . 3_666 ?
O1 Dy1 Dy1 36.91(14) 3_666 3_666 ?
N1 Dy1 Dy1 113.4(2) . 3_666 ?
O3 Dy1 Dy1 97.0(2) 3_666 3_666 ?
C2 O1 Dy1 132.0(6) . . ?
C2 O1 Dy1 122.1(5) . 3_666 ?
Dy1 O1 Dy1 105.3(2) . 3_666 ?
C8A O2 Dy1 122.1(6) . . ?
C8 O2 Dy1 123.4(8) . . ?
C15 O3 C3 113.9(10) . . ?
C15 O3 Dy1 127.7(8) . 3_666 ?
C3 O3 Dy1 116.3(6) . 3_666 ?
C22 O5 Dy1 136.9(6) . . ?
C24 O6 Dy1 136.5(6) . . ?
C32 O7 Dy1 156.3(7) . . ?
C7 N1 N2 120.5(12) . . ?
C7 N1 Dy1 124.9(11) . . ?
N2 N1 Dy1 114.5(6) . . ?
C8 N2 N1 110.5(9) . . ?
C8A N2 N1 108.6(6) . . ?
C8 N2 H2 124.7 . . ?
N1 N2 H2 124.7 . . ?
C32 N3 C34 123.7(9) . . ?
C32 N3 C33 116.1(8) . . ?
C34 N3 C33 119.9(9) . . ?
C6 C1 C2 120.8(8) . . ?
C6 C1 C7 115.7(10) . . ?
C2 C1 C7 123.5(9) . . ?
O1 C2 C1 123.1(8) . . ?
O1 C2 C3 120.7(8) . . ?
C1 C2 C3 116.3(7) . . ?
O3 C3 C4 128.4(9) . . ?
O3 C3 C2 109.7(8) . . ?
C4 C3 C2 121.8(8) . . ?
C3 C4 C5 120.1(8) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 119.5(8) . . ?
C6 C5 H5 120.2 . . ?
C4 C5 H5 120.2 . . ?
C5 C6 C1 121.4(8) . . ?
C5 C6 H6 119.3 . . ?
C1 C6 H6 119.3 . . ?
N1 C7 C1 136.1(15) . . ?
N1 C7 H7 111.9 . . ?
C1 C7 H7 111.9 . . ?
O2 C8 N2 121.2(12) . . ?
O2 C8 C9 121.6(14) . . ?
N2 C8 C9 110.4(12) . . ?
C14 C9 C10 120.0 . . ?
C14 C9 C8 118.4(15) . . ?
C10 C9 C8 121.6(15) . . ?
C13 C14 C9 120.0 . . ?
C13 C14 O4 120.8(16) . . ?
C9 C14 O4 119.2(16) . . ?
C14 C13 C12 120.0 . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C11 C12 C13 120.0 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C10 C9 120.0 . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
O3 C15 H15A 109.5 . . ?
O3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 120.5(10) . . ?
C21 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C18 C17 C16 120.3(10) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C19 119.9(10) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 C20 120.2(10) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C21 C20 C19 120.1(10) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C16 C21 C20 119.1(9) . . ?
C16 C21 C22 117.9(8) . . ?
C20 C21 C22 123.0(8) . . ?
O5 C22 C23 123.0(8) . . ?
O5 C22 C21 115.3(8) . . ?
C23 C22 C21 121.7(7) . . ?
C24 C23 C22 124.0(8) . . ?
C24 C23 H23 118.0 . . ?
C22 C23 H23 118.0 . . ?
O6 C24 C23 122.9(8) . . ?
O6 C24 C25 116.2(8) . . ?
C23 C24 C25 120.9(7) . . ?
C26 C25 C30 118.0(8) . . ?
C26 C25 C24 124.6(8) . . ?
C30 C25 C24 117.4(7) . . ?
C27 C26 C25 121.0(8) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C26 C27 C28 120.6(9) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C29 C28 C27 119.4(9) . . ?
C29 C28 H28 120.3 . . ?
C27 C28 H28 120.3 . . ?
C30 C29 C28 120.5(9) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C29 C30 C25 120.5(9) . . ?
C29 C30 H30 119.8 . . ?
C25 C30 H30 119.8 . . ?
C32 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C32 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O7 C32 N3 122.8(10) . . ?
O7 C32 C31 119.8(9) . . ?
N3 C32 C31 117.3(9) . . ?
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 . . ?
C36 N4 C38 119.6(13) . . ?
C36 N4 C37 117.1(12) . . ?
C38 N4 C37 123.1(18) . . ?
C36 C35 H35A 109.5 . . ?
C36 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C36 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
O8 C36 C35 128(2) . . ?
O8 C36 N4 117.8(17) . . ?
C35 C36 N4 114.2(15) . . ?
N4 C37 H37A 109.5 . . ?
N4 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
N4 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N4 C38 H38A 109.5 . . ?
N4 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
N4 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O8A C36A N4A 118(4) . . ?
O8A C36A C35A 132(4) . . ?
N4A C36A C35A 109(3) . . ?
C36A C35A H35D 109.5 . . ?
C36A C35A H35E 109.5 . . ?
H35D C35A H35E 109.5 . . ?
C36A C35A H35F 109.5 . . ?
H35D C35A H35F 109.5 . . ?
H35E C35A H35F 109.5 . . ?
N4A C37A H37D 109.5 . . ?
N4A C37A H37E 109.5 . . ?
H37D C37A H37E 109.5 . . ?
N4A C37A H37F 109.5 . . ?
H37D C37A H37F 109.5 . . ?
H37E C37A H37F 109.5 . . ?
N4A C38A H38D 109.5 . . ?
N4A C38A H38E 109.5 . . ?
H38D C38A H38E 109.5 . . ?
N4A C38A H38F 109.5 . . ?
H38D C38A H38F 109.5 . . ?
H38E C38A H38F 109.5 . . ?
C36A N4A C37A 123(3) . . ?
C36A N4A C38A 125(3) . . ?
C37A N4A C38A 112(3) . . ?
C14A C9A C10A 120.0 . . ?
C14A C9A C8A 119.9 . . ?
C10A C9A C8A 119.9 . . ?
C9A C14A C13A 120.0 . . ?
C9A C14A H14A 120.0 . . ?
C13A C14A H14A 120.0 . . ?
C14A C13A C12A 120.0 . . ?
C14A C13A H13A 120.0 . . ?
C12A C13A H13A 120.0 . . ?
C11A C12A C13A 120.0 . . ?
C11A C12A H12A 120.0 . . ?
C13A C12A H12A 120.0 . . ?
C12A C11A C10A 120.0 . . ?
C12A C11A H11A 120.0 . . ?
C10A C11A H11A 120.0 . . ?
O4A C10A C11A 102.0(6) . . ?
O4A C10A C9A 138.0(6) . . ?
C11A C10A C9A 120.0 . . ?
O2 C8A N2 121.8(6) . . ?
O2 C8A C9A 122.1(6) . . ?
N2 C8A C9A 106.0(4) . . ?

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
C7 N1 N2 C8 172.7(14) . . . . ?
Dy1 N1 N2 C8 -4.4(14) . . . . ?
C7 N1 N2 C8A -169.3(10) . . . . ?
Dy1 N1 N2 C8A 13.6(10) . . . . ?
Dy1 O1 C2 C1 16.6(11) . . . . ?
Dy1 O1 C2 C1 -153.7(6) 3_666 . . . ?
Dy1 O1 C2 C3 -163.9(6) . . . . ?
Dy1 O1 C2 C3 25.8(10) 3_666 . . . ?
C6 C1 C2 O1 176.5(7) . . . . ?
C7 C1 C2 O1 -4.4(12) . . . . ?
C6 C1 C2 C3 -3.1(11) . . . . ?
C7 C1 C2 C3 176.0(8) . . . . ?
C15 O3 C3 C4 -9.2(15) . . . . ?
Dy1 O3 C3 C4 155.8(7) 3_666 . . . ?
C15 O3 C3 C2 172.2(10) . . . . ?
Dy1 O3 C3 C2 -22.8(9) 3_666 . . . ?
O1 C2 C3 O3 0.8(11) . . . . ?
C1 C2 C3 O3 -179.6(7) . . . . ?
O1 C2 C3 C4 -177.9(7) . . . . ?
C1 C2 C3 C4 1.7(11) . . . . ?
O3 C3 C4 C5 -177.7(8) . . . . ?
C2 C3 C4 C5 0.8(13) . . . . ?
C3 C4 C5 C6 -1.9(13) . . . . ?
C4 C5 C6 C1 0.5(13) . . . . ?
C2 C1 C6 C5 2.1(13) . . . . ?
C7 C1 C6 C5 -177.1(8) . . . . ?
N2 N1 C7 C1 -171.4(11) . . . . ?
Dy1 N1 C7 C1 5.3(19) . . . . ?
C6 C1 C7 N1 171.7(13) . . . . ?
C2 C1 C7 N1 -7.5(19) . . . . ?
Dy1 O2 C8 N2 -20(3) . . . . ?
Dy1 O2 C8 C9 -168.8(6) . . . . ?
N1 N2 C8 O2 15(2) . . . . ?
N1 N2 C8 C9 167.0(11) . . . . ?
O2 C8 C9 C14 8.2(15) . . . . ?
N2 C8 C9 C14 -143.2(15) . . . . ?
O2 C8 C9 C10 -171.8(15) . . . . ?
N2 C8 C9 C10 36.8(15) . . . . ?
C10 C9 C14 C13 0.0 . . . . ?
C8 C9 C14 C13 180.00(8) . . . . ?
C10 C9 C14 O4 -180.0(3) . . . . ?
C8 C9 C14 O4 0.0(3) . . . . ?
C9 C14 C13 C12 0.0 . . . . ?
O4 C14 C13 C12 180.0(3) . . . . ?
C14 C13 C12 C11 0.0 . . . . ?
C13 C12 C11 C10 0.0 . . . . ?
C12 C11 C10 C9 0.0 . . . . ?
C14 C9 C10 C11 0.0 . . . . ?
C8 C9 C10 C11 180.00(9) . . . . ?
C21 C16 C17 C18 1.9(18) . . . . ?
C16 C17 C18 C19 -1(2) . . . . ?
C17 C18 C19 C20 1(2) . . . . ?
C18 C19 C20 C21 -0.4(19) . . . . ?
C17 C16 C21 C20 -1.7(16) . . . . ?
C17 C16 C21 C22 177.9(10) . . . . ?
C19 C20 C21 C16 0.9(16) . . . . ?
C19 C20 C21 C22 -178.7(10) . . . . ?
Dy1 O5 C22 C23 9.0(14) . . . . ?
Dy1 O5 C22 C21 -170.2(6) . . . . ?
C16 C21 C22 O5 7.6(12) . . . . ?
C20 C21 C22 O5 -172.8(9) . . . . ?
C16 C21 C22 C23 -171.6(9) . . . . ?
C20 C21 C22 C23 8.0(14) . . . . ?
O5 C22 C23 C24 6.4(14) . . . . ?
C21 C22 C23 C24 -174.5(8) . . . . ?
Dy1 O6 C24 C23 -23.6(13) . . . . ?
Dy1 O6 C24 C25 157.4(6) . . . . ?
C22 C23 C24 O6 0.2(13) . . . . ?
C22 C23 C24 C25 179.2(8) . . . . ?
O6 C24 C25 C26 166.4(8) . . . . ?
C23 C24 C25 C26 -12.7(12) . . . . ?
O6 C24 C25 C30 -15.6(11) . . . . ?
C23 C24 C25 C30 165.3(8) . . . . ?
C30 C25 C26 C27 0.1(13) . . . . ?
C24 C25 C26 C27 178.1(8) . . . . ?
C25 C26 C27 C28 -0.4(15) . . . . ?
C26 C27 C28 C29 0.5(16) . . . . ?
C27 C28 C29 C30 -0.3(17) . . . . ?
C28 C29 C30 C25 0.0(16) . . . . ?
C26 C25 C30 C29 0.1(14) . . . . ?
C24 C25 C30 C29 -178.1(9) . . . . ?
Dy1 O7 C32 N3 139.3(13) . . . . ?
Dy1 O7 C32 C31 -41(2) . . . . ?
C34 N3 C32 O7 176.9(9) . . . . ?
C33 N3 C32 O7 2.3(15) . . . . ?
C34 N3 C32 C31 -3.2(15) . . . . ?
C33 N3 C32 C31 -177.9(9) . . . . ?
C38 N4 C36 O8 -174(3) . . . . ?
C37 N4 C36 O8 2(4) . . . . ?
C38 N4 C36 C35 7(3) . . . . ?
C37 N4 C36 C35 -178(2) . . . . ?
O8A C36A N4A C37A 11(5) . . . . ?
C35A C36A N4A C37A -174(3) . . . . ?
O8A C36A N4A C38A -172(3) . . . . ?
C35A C36A N4A C38A 4(5) . . . . ?
C10A C9A C14A C13A 0.0 . . . . ?
C8A C9A C14A C13A 175.3(5) . . . . ?
C9A C14A C13A C12A 0.0 . . . . ?
C14A C13A C12A C11A 0.0 . . . . ?
C13A C12A C11A C10A 0.0 . . . . ?
C12A C11A C10A O4A -179.96(9) . . . . ?
C12A C11A C10A C9A 0.0 . . . . ?
C14A C9A C10A O4A 179.95(13) . . . . ?
C8A C9A C10A O4A 4.6(5) . . . . ?
C14A C9A C10A C11A 0.0 . . . . ?
C8A C9A C10A C11A -175.3(5) . . . . ?
Dy1 O2 C8A N2 26.5(10) . . . . ?
Dy1 O2 C8A C9A 167.0(4) . . . . ?
N1 N2 C8A O2 -26.0(11) . . . . ?
N1 N2 C8A C9A -171.9(7) . . . . ?
C14A C9A C8A O2 32.8(8) . . . . ?
C10A C9A C8A O2 -151.9(7) . . . . ?
C14A C9A C8A N2 178.5(6) . . . . ?
C10A C9A C8A N2 -6.1(7) . . . . ?

_refine_diff_density_max         3.501
_refine_diff_density_min         -4.229
_refine_diff_density_rms         0.218

