# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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 1510423'
_audit_update_record             
;
2016-12-16 deposited with the CCDC.
2017-01-09 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         'C54 H52 Dy2 N6 O14'
_chemical_formula_sum            'C54 H52 Dy2 N6 O14'
_chemical_formula_weight         1334.01

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                   12.2677(16)
_cell_length_b                   12.8118(17)
_cell_length_c                   17.181(2)
_cell_angle_alpha                90
_cell_angle_beta                 103.489(2)
_cell_angle_gamma                90
_cell_volume                     2625.8(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5210
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      27.40

_exptl_crystal_description       rhombus
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.687
_exptl_crystal_F_000             1324
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    2.896
_shelx_estimated_absorpt_T_min   0.520
_shelx_estimated_absorpt_T_max   0.723
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.5197
_exptl_absorpt_correction_T_max  0.7225
_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            13686
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.852
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.987
_reflns_number_total             5094
_reflns_number_gt                3958
_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)+(0.0440P)²+3.7996P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5094
_refine_ls_number_parameters     343
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0349
_refine_ls_wR_factor_ref         0.0944
_refine_ls_wR_factor_gt          0.0842
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.061
_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 0.92009(2) 0.12395(2) 0.96921(2) 0.03371(10) Uani 1 1 d . . . . .
N1 N 1.0545(4) 0.2726(3) 0.9836(3) 0.0420(11) Uani 1 1 d . . . . .
N2 N 1.0052(4) 0.3652(3) 0.9962(3) 0.0541(12) Uani 1 1 d . . . . .
H2A H 1.0453 0.4189 1.0142 0.065 Uiso 1 1 calc R U . . .
N3 N 1.0626(5) 0.1816(4) 1.2390(3) 0.0619(15) Uani 1 1 d . . . . .
O1 O 1.0973(3) 0.0509(2) 0.9910(2) 0.0341(7) Uani 1 1 d . . . . .
O2 O 0.8379(3) 0.2841(3) 0.9631(2) 0.0500(10) Uani 1 1 d . . . . .
O3 O 0.8457(4) 0.4562(3) 0.9806(3) 0.0658(12) Uani 1 1 d . . . . .
O4 O 1.2322(3) -0.0946(3) 0.9599(2) 0.0477(9) Uani 1 1 d . . . . .
O5 O 0.9578(3) 0.1290(3) 0.8456(2) 0.0476(9) Uani 1 1 d . . . . .
O6 O 0.7634(3) 0.0677(3) 0.8785(2) 0.0439(9) Uani 1 1 d . . . . .
O7 O 0.9831(4) 0.1571(3) 1.1096(2) 0.0530(10) Uani 1 1 d . . . . .
C1 C 1.1931(4) 0.0825(4) 0.9722(3) 0.0370(11) Uani 1 1 d . . . . .
C2 C 1.2662(4) 0.0066(4) 0.9552(3) 0.0411(12) Uani 1 1 d . . . . .
C3 C 1.3665(5) 0.0324(5) 0.9354(4) 0.0553(15) Uani 1 1 d . . . . .
H3A H 1.4135 -0.0196 0.9242 0.066 Uiso 1 1 calc R U . . .
C4 C 1.3955(5) 0.1365(5) 0.9327(5) 0.0646(18) Uani 1 1 d . . . . .
H4A H 1.4622 0.1549 0.9193 0.078 Uiso 1 1 calc R U . . .
C5 C 1.3274(5) 0.2113(5) 0.9495(4) 0.0602(17) Uani 1 1 d . . . . .
H5A H 1.3487 0.2808 0.9481 0.072 Uiso 1 1 calc R U . . .
C6 C 1.2245(4) 0.1876(4) 0.9692(3) 0.0430(13) Uani 1 1 d . . . . .
C7 C 1.1582(5) 0.2753(4) 0.9832(3) 0.0474(14) Uani 1 1 d . . . . .
H7A H 1.1943 0.3395 0.9929 0.057 Uiso 1 1 calc R U . . .
C8 C 0.8903(5) 0.3700(4) 0.9792(3) 0.0478(14) Uani 1 1 d . . . . .
C9 C 1.2901(6) -0.1748(6) 0.9283(5) 0.082(2) Uani 1 1 d . . . . .
H9A H 1.2579 -0.2414 0.9355 0.122 Uiso 1 1 calc R U . . .
H9B H 1.2836 -0.1627 0.8722 0.122 Uiso 1 1 calc R U . . .
H9C H 1.3678 -0.1744 0.9558 0.122 Uiso 1 1 calc R U . . .
C10 C 1.1018(6) 0.0974(5) 0.7472(4) 0.0615(17) Uani 1 1 d . . . . .
H10A H 1.1310 0.1026 0.8021 0.074 Uiso 1 1 calc R U . . .
C11 C 1.1731(6) 0.0885(6) 0.6967(5) 0.075(2) Uani 1 1 d . . . . .
H11A H 1.2501 0.0871 0.7180 0.090 Uiso 1 1 calc R U . . .
C12 C 1.1331(8) 0.0816(6) 0.6157(5) 0.078(2) Uani 1 1 d . . . . .
H12A H 1.1818 0.0735 0.5820 0.094 Uiso 1 1 calc R U . . .
C13 C 1.0190(8) 0.0871(7) 0.5850(4) 0.083(2) Uani 1 1 d . . . . .
H13A H 0.9911 0.0868 0.5298 0.100 Uiso 1 1 calc R U . . .
C14 C 0.9453(6) 0.0931(6) 0.6342(4) 0.0663(18) Uani 1 1 d . . . . .
H14A H 0.8684 0.0934 0.6123 0.080 Uiso 1 1 calc R U . . .
C15 C 0.9863(5) 0.0987(4) 0.7169(3) 0.0475(14) Uani 1 1 d . . . . .
C16 C 0.9113(5) 0.1028(4) 0.7741(3) 0.0431(13) Uani 1 1 d . . . . .
C17 C 0.7997(5) 0.0720(5) 0.7497(3) 0.0501(14) Uani 1 1 d . . . . .
H17A H 0.7685 0.0642 0.6953 0.060 Uiso 1 1 calc R U . . .
C18 C 0.7324(5) 0.0525(4) 0.8035(3) 0.0424(12) Uani 1 1 d . . . . .
C19 C 0.6202(4) 0.0006(4) 0.7744(3) 0.0435(13) Uani 1 1 d . . . . .
C20 C 0.5506(5) 0.0232(5) 0.7009(4) 0.0595(16) Uani 1 1 d . . . . .
H20A H 0.5713 0.0737 0.6682 0.071 Uiso 1 1 calc R U . . .
C21 C 0.4502(5) -0.0293(6) 0.6761(4) 0.0684(19) Uani 1 1 d . . . . .
H21A H 0.4022 -0.0122 0.6274 0.082 Uiso 1 1 calc R U . . .
C22 C 0.4208(6) -0.1061(6) 0.7223(5) 0.071(2) Uani 1 1 d . . . . .
H22A H 0.3544 -0.1430 0.7044 0.085 Uiso 1 1 calc R U . . .
C23 C 0.4899(6) -0.1283(5) 0.7951(5) 0.0688(19) Uani 1 1 d . . . . .
H23A H 0.4703 -0.1806 0.8268 0.083 Uiso 1 1 calc R U . . .
C24 C 0.5881(5) -0.0740(5) 0.8218(4) 0.0554(15) Uani 1 1 d . . . . .
H24A H 0.6330 -0.0879 0.8723 0.066 Uiso 1 1 calc R U . . .
C25 C 1.0657(6) 0.1634(5) 1.1649(4) 0.0537(15) Uani 1 1 d . . . . .
H25A H 1.1377 0.1535 1.1532 0.064 Uiso 1 1 d R U . . .
C26 C 1.1628(8) 0.1854(6) 1.3034(5) 0.110(3) Uani 1 1 d . U . . .
H26A H 1.1424 0.1997 1.3530 0.165 Uiso 1 1 calc R U . . .
H26B H 1.2009 0.1195 1.3070 0.165 Uiso 1 1 calc R U . . .
H26C H 1.2114 0.2396 1.2927 0.165 Uiso 1 1 calc R U . . .
C27 C 0.9576(10) 0.1952(8) 1.2604(5) 0.115(3) Uani 1 1 d . . . . .
H27A H 0.9706 0.2078 1.3169 0.173 Uiso 1 1 calc R U . . .
H27B H 0.9187 0.2537 1.2317 0.173 Uiso 1 1 calc R U . . .
H27C H 0.9130 0.1333 1.2469 0.173 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O2 2.277(4) . ?
Dy1 O5 2.278(4) . ?
Dy1 O6 2.290(3) . ?
Dy1 O1 2.316(3) . ?
Dy1 O1 2.366(3) 3_757 ?
Dy1 O7 2.393(4) . ?
Dy1 O4 2.485(4) 3_757 ?
Dy1 N1 2.494(4) . ?
Dy1 Dy1 3.7528(6) 3_757 ?
N1 C7 1.274(7) . ?
N1 N2 1.371(6) . ?
N2 C8 1.373(8) . ?
N2 H2A 0.8600 . ?
N3 C25 1.303(8) . ?
N3 C27 1.430(11) . ?
N3 C26 1.450(9) . ?
O1 C1 1.352(6) . ?
O1 Dy1 2.366(3) 3_757 ?
O2 C8 1.272(7) . ?
O3 C8 1.235(6) . ?
O4 C2 1.369(6) . ?
O4 C9 1.428(7) . ?
O4 Dy1 2.485(4) 3_757 ?
O5 C16 1.271(6) . ?
O6 C18 1.272(6) . ?
O7 C25 1.220(7) . ?
C1 C2 1.399(8) . ?
C1 C6 1.404(7) . ?
C2 C3 1.392(7) . ?
C3 C4 1.384(9) . ?
C3 H3A 0.9300 . ?
C4 C5 1.345(9) . ?
C4 H4A 0.9300 . ?
C5 C6 1.415(8) . ?
C5 H5A 0.9300 . ?
C6 C7 1.440(8) . ?
C7 H7A 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.373(9) . ?
C10 C15 1.392(9) . ?
C10 H10A 0.9300 . ?
C11 C12 1.366(11) . ?
C11 H11A 0.9300 . ?
C12 C13 1.378(11) . ?
C12 H12A 0.9300 . ?
C13 C14 1.376(10) . ?
C13 H13A 0.9300 . ?
C14 C15 1.395(8) . ?
C14 H14A 0.9300 . ?
C15 C16 1.496(8) . ?
C16 C17 1.393(8) . ?
C17 C18 1.397(8) . ?
C17 H17A 0.9300 . ?
C18 C19 1.505(7) . ?
C19 C24 1.372(8) . ?
C19 C20 1.380(8) . ?
C20 C21 1.381(9) . ?
C20 H20A 0.9300 . ?
C21 C22 1.364(10) . ?
C21 H21A 0.9300 . ?
C22 C23 1.368(11) . ?
C22 H22A 0.9300 . ?
C23 C24 1.373(9) . ?
C23 H23A 0.9300 . ?
C24 H24A 0.9300 . ?
C25 H25A 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 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
O2 Dy1 O5 96.63(14) . . ?
O2 Dy1 O6 87.69(13) . . ?
O5 Dy1 O6 72.26(13) . . ?
O2 Dy1 O1 139.48(12) . . ?
O5 Dy1 O1 77.01(13) . . ?
O6 Dy1 O1 126.19(13) . . ?
O2 Dy1 O1 142.89(13) . 3_757 ?
O5 Dy1 O1 110.33(12) . 3_757 ?
O6 Dy1 O1 77.31(12) . 3_757 ?
O1 Dy1 O1 73.46(13) . 3_757 ?
O2 Dy1 O7 85.54(14) . . ?
O5 Dy1 O7 147.89(14) . . ?
O6 Dy1 O7 139.82(14) . . ?
O1 Dy1 O7 80.69(13) . . ?
O1 Dy1 O7 84.65(13) 3_757 . ?
O2 Dy1 O4 77.51(14) . 3_757 ?
O5 Dy1 O4 143.18(14) . 3_757 ?
O6 Dy1 O4 71.21(13) . 3_757 ?
O1 Dy1 O4 130.11(12) . 3_757 ?
O1 Dy1 O4 65.57(12) 3_757 3_757 ?
O7 Dy1 O4 68.65(14) . 3_757 ?
O2 Dy1 N1 65.92(14) . . ?
O5 Dy1 N1 78.31(14) . . ?
O6 Dy1 N1 137.61(13) . . ?
O1 Dy1 N1 73.64(13) . . ?
O1 Dy1 N1 142.81(13) 3_757 . ?
O7 Dy1 N1 73.39(14) . . ?
O4 Dy1 N1 128.51(13) 3_757 . ?
O2 Dy1 Dy1 166.40(10) . 3_757 ?
O5 Dy1 Dy1 94.61(10) . 3_757 ?
O6 Dy1 Dy1 103.05(10) . 3_757 ?
O1 Dy1 Dy1 37.19(8) . 3_757 ?
O1 Dy1 Dy1 36.27(8) 3_757 3_757 ?
O7 Dy1 Dy1 80.87(10) . 3_757 ?
O4 Dy1 Dy1 97.86(9) 3_757 3_757 ?
N1 Dy1 Dy1 109.18(10) . 3_757 ?
C7 N1 N2 117.1(5) . . ?
C7 N1 Dy1 131.2(4) . . ?
N2 N1 Dy1 111.7(3) . . ?
N1 N2 C8 118.3(5) . . ?
N1 N2 H2A 120.8 . . ?
C8 N2 H2A 120.8 . . ?
C25 N3 C27 120.4(6) . . ?
C25 N3 C26 122.6(7) . . ?
C27 N3 C26 117.0(7) . . ?
C1 O1 Dy1 132.5(3) . . ?
C1 O1 Dy1 119.7(3) . 3_757 ?
Dy1 O1 Dy1 106.55(12) . 3_757 ?
C8 O2 Dy1 125.0(4) . . ?
C2 O4 C9 118.3(5) . . ?
C2 O4 Dy1 116.5(3) . 3_757 ?
C9 O4 Dy1 125.1(4) . 3_757 ?
C16 O5 Dy1 138.6(4) . . ?
C18 O6 Dy1 138.0(4) . . ?
C25 O7 Dy1 144.3(4) . . ?
O1 C1 C2 118.4(5) . . ?
O1 C1 C6 123.9(5) . . ?
C2 C1 C6 117.7(5) . . ?
O4 C2 C3 122.6(5) . . ?
O4 C2 C1 115.3(5) . . ?
C3 C2 C1 122.1(5) . . ?
C4 C3 C2 119.1(6) . . ?
C4 C3 H3A 120.5 . . ?
C2 C3 H3A 120.5 . . ?
C5 C4 C3 120.1(6) . . ?
C5 C4 H4A 119.9 . . ?
C3 C4 H4A 119.9 . . ?
C4 C5 C6 122.1(6) . . ?
C4 C5 H5A 118.9 . . ?
C6 C5 H5A 118.9 . . ?
C1 C6 C5 118.9(5) . . ?
C1 C6 C7 124.9(5) . . ?
C5 C6 C7 116.3(5) . . ?
N1 C7 C6 125.6(5) . . ?
N1 C7 H7A 117.2 . . ?
C6 C7 H7A 117.2 . . ?
O3 C8 O2 125.0(6) . . ?
O3 C8 N2 118.3(5) . . ?
O2 C8 N2 116.7(5) . . ?
O4 C9 H9A 109.5 . . ?
O4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
O4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C15 120.5(6) . . ?
C11 C10 H10A 119.7 . . ?
C15 C10 H10A 119.7 . . ?
C12 C11 C10 121.3(7) . . ?
C12 C11 H11A 119.4 . . ?
C10 C11 H11A 119.4 . . ?
C11 C12 C13 118.5(7) . . ?
C11 C12 H12A 120.7 . . ?
C13 C12 H12A 120.7 . . ?
C14 C13 C12 121.5(7) . . ?
C14 C13 H13A 119.2 . . ?
C12 C13 H13A 119.2 . . ?
C13 C14 C15 119.7(7) . . ?
C13 C14 H14A 120.1 . . ?
C15 C14 H14A 120.1 . . ?
C10 C15 C14 118.3(6) . . ?
C10 C15 C16 118.9(5) . . ?
C14 C15 C16 122.7(6) . . ?
O5 C16 C17 123.6(5) . . ?
O5 C16 C15 116.0(5) . . ?
C17 C16 C15 120.3(5) . . ?
C16 C17 C18 122.9(5) . . ?
C16 C17 H17A 118.5 . . ?
C18 C17 H17A 118.5 . . ?
O6 C18 C17 124.0(5) . . ?
O6 C18 C19 116.0(5) . . ?
C17 C18 C19 119.7(5) . . ?
C24 C19 C20 119.2(6) . . ?
C24 C19 C18 118.5(5) . . ?
C20 C19 C18 122.2(5) . . ?
C19 C20 C21 119.7(7) . . ?
C19 C20 H20A 120.1 . . ?
C21 C20 H20A 120.1 . . ?
C22 C21 C20 120.7(7) . . ?
C22 C21 H21A 119.7 . . ?
C20 C21 H21A 119.7 . . ?
C21 C22 C23 119.4(6) . . ?
C21 C22 H22A 120.3 . . ?
C23 C22 H22A 120.3 . . ?
C22 C23 C24 120.6(7) . . ?
C22 C23 H23A 119.7 . . ?
C24 C23 H23A 119.7 . . ?
C19 C24 C23 120.3(6) . . ?
C19 C24 H24A 119.8 . . ?
C23 C24 H24A 119.8 . . ?
O7 C25 N3 124.4(7) . . ?
O7 C25 H25A 117.7 . . ?
N3 C25 H25A 117.8 . . ?
N3 C26 H26A 109.5 . . ?
N3 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N3 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N3 C27 H27A 109.5 . . ?
N3 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N3 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 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 165.5(5) . . . . ?
Dy1 N1 N2 C8 -16.3(6) . . . . ?
Dy1 O1 C1 C2 -147.8(4) . . . . ?
Dy1 O1 C1 C2 17.4(6) 3_757 . . . ?
Dy1 O1 C1 C6 32.8(7) . . . . ?
Dy1 O1 C1 C6 -162.0(4) 3_757 . . . ?
C9 O4 C2 C3 -12.7(8) . . . . ?
Dy1 O4 C2 C3 163.9(4) 3_757 . . . ?
C9 O4 C2 C1 167.7(5) . . . . ?
Dy1 O4 C2 C1 -15.7(6) 3_757 . . . ?
O1 C1 C2 O4 -0.2(7) . . . . ?
C6 C1 C2 O4 179.2(4) . . . . ?
O1 C1 C2 C3 -179.9(5) . . . . ?
C6 C1 C2 C3 -0.4(8) . . . . ?
O4 C2 C3 C4 -179.3(6) . . . . ?
C1 C2 C3 C4 0.3(9) . . . . ?
C2 C3 C4 C5 0.3(11) . . . . ?
C3 C4 C5 C6 -0.8(11) . . . . ?
O1 C1 C6 C5 179.3(5) . . . . ?
C2 C1 C6 C5 0.0(7) . . . . ?
O1 C1 C6 C7 -2.0(8) . . . . ?
C2 C1 C6 C7 178.6(5) . . . . ?
C4 C5 C6 C1 0.7(9) . . . . ?
C4 C5 C6 C7 -178.1(6) . . . . ?
N2 N1 C7 C6 -178.4(5) . . . . ?
Dy1 N1 C7 C6 3.8(9) . . . . ?
C1 C6 C7 N1 -15.6(9) . . . . ?
C5 C6 C7 N1 163.1(6) . . . . ?
Dy1 O2 C8 O3 -175.3(4) . . . . ?
Dy1 O2 C8 N2 4.7(7) . . . . ?
N1 N2 C8 O3 -170.9(5) . . . . ?
N1 N2 C8 O2 9.1(8) . . . . ?
C15 C10 C11 C12 0.6(12) . . . . ?
C10 C11 C12 C13 2.0(12) . . . . ?
C11 C12 C13 C14 -3.8(13) . . . . ?
C12 C13 C14 C15 3.0(12) . . . . ?
C11 C10 C15 C14 -1.4(10) . . . . ?
C11 C10 C15 C16 176.8(6) . . . . ?
C13 C14 C15 C10 -0.3(10) . . . . ?
C13 C14 C15 C16 -178.5(6) . . . . ?
Dy1 O5 C16 C17 10.8(9) . . . . ?
Dy1 O5 C16 C15 -164.6(4) . . . . ?
C10 C15 C16 O5 15.7(8) . . . . ?
C14 C15 C16 O5 -166.2(6) . . . . ?
C10 C15 C16 C17 -159.9(6) . . . . ?
C14 C15 C16 C17 18.2(9) . . . . ?
O5 C16 C17 C18 -9.5(9) . . . . ?
C15 C16 C17 C18 165.7(5) . . . . ?
Dy1 O6 C18 C17 -1.2(9) . . . . ?
Dy1 O6 C18 C19 172.7(3) . . . . ?
C16 C17 C18 O6 5.1(9) . . . . ?
C16 C17 C18 C19 -168.6(5) . . . . ?
O6 C18 C19 C24 -35.2(7) . . . . ?
C17 C18 C19 C24 139.1(6) . . . . ?
O6 C18 C19 C20 146.9(6) . . . . ?
C17 C18 C19 C20 -38.9(8) . . . . ?
C24 C19 C20 C21 -0.1(9) . . . . ?
C18 C19 C20 C21 177.8(6) . . . . ?
C19 C20 C21 C22 -2.3(11) . . . . ?
C20 C21 C22 C23 2.4(11) . . . . ?
C21 C22 C23 C24 0.1(11) . . . . ?
C20 C19 C24 C23 2.5(9) . . . . ?
C18 C19 C24 C23 -175.5(6) . . . . ?
C22 C23 C24 C19 -2.5(10) . . . . ?
Dy1 O7 C25 N3 -177.6(4) . . . . ?
C27 N3 C25 O7 0.2(10) . . . . ?
C26 N3 C25 O7 178.1(6) . . . . ?

_refine_diff_density_max         1.594
_refine_diff_density_min         -0.474
_refine_diff_density_rms         0.116

####################################################################### 
# 
# 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 1510424'
_audit_update_record             
;
2016-12-16 deposited with the CCDC.
2017-01-09 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         'C56 H56 Dy2 N6 O14'
_chemical_formula_sum            'C56 H56 Dy2 N6 O14'
_chemical_formula_weight         1362.06

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                   12.6016(12)
_cell_length_b                   12.8099(12)
_cell_length_c                   17.3797(17)
_cell_angle_alpha                90
_cell_angle_beta                 106.3400(10)
_cell_angle_gamma                90
_cell_volume                     2692.2(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8499
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      30.64

_exptl_crystal_description       rhombus
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_F_000             1356
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    2.827
_shelx_estimated_absorpt_T_min   0.516
_shelx_estimated_absorpt_T_max   0.676
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.5157
_exptl_absorpt_correction_T_max  0.6765
_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            13997
_diffrn_reflns_av_unetI/netI     0.0287
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.005
_diffrn_reflns_theta_max         25.995
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.987
_reflns_number_total             5227
_reflns_number_gt                4401
_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)+(0.0380P)²+2.9306P] 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         5227
_refine_ls_number_parameters     352
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0290
_refine_ls_wR_factor_ref         0.0780
_refine_ls_wR_factor_gt          0.0716
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.000
_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 0.91892(2) 0.12366(2) 0.96643(2) 0.03063(8) Uani 1 1 d . . . . .
N1 N 1.0486(3) 0.2720(2) 0.9735(2) 0.0399(8) Uani 1 1 d . . . . .
N2 N 1.0024(3) 0.3660(2) 0.9858(3) 0.0516(10) Uani 1 1 d . . . . .
H2A H 1.0432 0.4198 1.0024 0.062 Uiso 1 1 calc R U . . .
N3 N 1.0303(4) 0.1818(3) 1.2372(2) 0.0594(11) Uani 1 1 d . . . . .
O1 O 1.0950(2) 0.04894(18) 0.98808(15) 0.0312(5) Uani 1 1 d . . . . .
O2 O 0.8382(2) 0.2845(2) 0.95425(19) 0.0476(7) Uani 1 1 d . . . . .
O3 O 0.8483(3) 0.4579(2) 0.9742(2) 0.0636(9) Uani 1 1 d . . . . .
O4 O 1.2312(2) -0.0973(2) 0.96640(17) 0.0411(6) Uani 1 1 d . . . . .
O5 O 0.9458(2) 0.1227(2) 0.84193(17) 0.0453(7) Uani 1 1 d . . . . .
O6 O 0.7580(2) 0.0683(2) 0.87562(16) 0.0419(6) Uani 1 1 d . . . . .
O7 O 0.9847(2) 0.1634(3) 1.10466(18) 0.0503(7) Uani 1 1 d . . . . .
C1 C 1.1848(3) 0.0794(3) 0.9673(2) 0.0346(8) Uani 1 1 d . . . . .
C2 C 1.2593(3) 0.0035(3) 0.9549(2) 0.0379(9) Uani 1 1 d . . . . .
C3 C 1.3524(4) 0.0291(4) 0.9322(3) 0.0544(11) Uani 1 1 d . . . . .
H3A H 1.3992 -0.0232 0.9239 0.065 Uiso 1 1 calc R U . . .
C4 C 1.3760(4) 0.1319(4) 0.9221(4) 0.0647(14) Uani 1 1 d . . . . .
H4A H 1.4380 0.1495 0.9057 0.078 Uiso 1 1 calc R U . . .
C5 C 1.3086(4) 0.2080(4) 0.9359(3) 0.0586(13) Uani 1 1 d . . . . .
H5A H 1.3271 0.2774 0.9308 0.070 Uiso 1 1 calc R U . . .
C6 C 1.2117(3) 0.1853(3) 0.9577(2) 0.0414(9) Uani 1 1 d . . . . .
C7 C 1.1485(4) 0.2741(3) 0.9699(3) 0.0461(10) Uani 1 1 d . . . . .
H7A H 1.1833 0.3388 0.9756 0.055 Uiso 1 1 calc R U . . .
C8 C 0.8893(4) 0.3714(3) 0.9707(3) 0.0468(10) Uani 1 1 d . . . . .
C9 C 1.3062(5) -0.1781(4) 0.9587(4) 0.0781(18) Uani 1 1 d . . . . .
H9A H 1.2772 -0.2447 0.9682 0.117 Uiso 1 1 calc R U . . .
H9B H 1.3150 -0.1767 0.9056 0.117 Uiso 1 1 calc R U . . .
H9C H 1.3766 -0.1671 0.9972 0.117 Uiso 1 1 calc R U . . .
C10 C 1.0764(4) 0.1090(4) 0.7414(3) 0.0605(13) Uani 1 1 d . . . . .
H10A H 1.1081 0.1183 0.7962 0.073 Uiso 1 1 calc R U . . .
C11 C 1.1434(5) 0.1073(5) 0.6901(4) 0.0758(17) Uani 1 1 d . . . . .
H11A H 1.2195 0.1152 0.7105 0.091 Uiso 1 1 calc R U . . .
C12 C 1.0965(6) 0.0937(5) 0.6089(4) 0.0776(17) Uani 1 1 d . . . . .
H12A H 1.1406 0.0911 0.5742 0.093 Uiso 1 1 calc R U . . .
C13 C 0.9844(6) 0.0841(5) 0.5803(3) 0.0780(16) Uani 1 1 d . . . . .
H13A H 0.9529 0.0764 0.5254 0.094 Uiso 1 1 calc R U . . .
C14 C 0.9166(5) 0.0854(5) 0.6299(3) 0.0666(14) Uani 1 1 d . . . . .
H14A H 0.8404 0.0785 0.6088 0.080 Uiso 1 1 calc R U . . .
C15 C 0.9631(4) 0.0971(3) 0.7118(3) 0.0451(10) Uani 1 1 d . . . . .
C16 C 0.8957(3) 0.0956(3) 0.7706(2) 0.0396(9) Uani 1 1 d . . . . .
C17 C 0.7855(3) 0.0624(3) 0.7474(2) 0.0419(9) Uani 1 1 d . . . . .
H17A H 0.7527 0.0479 0.6935 0.050 Uiso 1 1 calc R U . . .
C18 C 0.7223(3) 0.0501(3) 0.8011(2) 0.0396(9) Uani 1 1 d . . . . .
C19 C 0.6074(3) 0.0057(3) 0.7727(3) 0.0454(10) Uani 1 1 d . . . . .
C20 C 0.5358(4) 0.0299(4) 0.6984(3) 0.0590(12) Uani 1 1 d . . . . .
H20A H 0.5578 0.0752 0.6640 0.071 Uiso 1 1 calc R U . . .
C21 C 0.4320(4) -0.0139(6) 0.6760(4) 0.0806(18) Uani 1 1 d . . . . .
H21A H 0.3827 0.0047 0.6272 0.097 Uiso 1 1 calc R U . . .
C22 C 0.4005(5) -0.0839(6) 0.7240(4) 0.086(2) Uani 1 1 d . . . . .
H22A H 0.3306 -0.1139 0.7075 0.103 Uiso 1 1 calc R U . . .
C23 C 0.4718(5) -0.1101(5) 0.7966(4) 0.0780(19) Uani 1 1 d . . . . .
H23A H 0.4515 -0.1601 0.8286 0.094 Uiso 1 1 calc R U . . .
C24 C 0.5726(4) -0.0627(4) 0.8219(3) 0.0550(12) Uani 1 1 d . . . . .
H24A H 0.6185 -0.0768 0.8730 0.066 Uiso 1 1 calc R U . . .
C25 C 1.0562(4) 0.1771(3) 1.1694(3) 0.0451(10) Uani 1 1 d . . . . .
C26 C 1.1081(5) 0.1992(5) 1.3158(3) 0.0770(17) Uani 1 1 d . . . . .
H26A H 1.0690 0.1994 1.3559 0.116 Uiso 1 1 calc R U . . .
H26B H 1.1623 0.1444 1.3272 0.116 Uiso 1 1 calc R U . . .
H26C H 1.1443 0.2652 1.3161 0.116 Uiso 1 1 calc R U . . .
C27 C 0.9136(5) 0.1729(6) 1.2352(4) 0.0859(19) Uani 1 1 d . . . . .
H27A H 0.9070 0.1776 1.2888 0.129 Uiso 1 1 calc R U . . .
H27B H 0.8722 0.2283 1.2032 0.129 Uiso 1 1 calc R U . . .
H27C H 0.8852 0.1068 1.2124 0.129 Uiso 1 1 calc R U . . .
C28 C 1.1741(4) 0.1915(4) 1.1691(3) 0.0587(12) Uani 1 1 d . . . . .
H28A H 1.2196 0.2012 1.2231 0.088 Uiso 1 1 calc R U . . .
H28B H 1.1984 0.1307 1.1465 0.088 Uiso 1 1 calc R U . . .
H28C H 1.1797 0.2516 1.1376 0.088 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O2 2.281(3) . ?
Dy1 O5 2.282(3) . ?
Dy1 O6 2.304(3) . ?
Dy1 O1 2.348(2) . ?
Dy1 O7 2.366(3) . ?
Dy1 O1 2.371(2) 3_757 ?
Dy1 N1 2.486(3) . ?
Dy1 O4 2.510(3) 3_757 ?
Dy1 Dy1 3.7725(4) 3_757 ?
N1 C7 1.278(5) . ?
N1 N2 1.380(4) . ?
N2 C8 1.376(6) . ?
N2 H2A 0.8600 . ?
N3 C25 1.308(6) . ?
N3 C26 1.457(6) . ?
N3 C27 1.466(7) . ?
O1 C1 1.339(4) . ?
O1 Dy1 2.371(2) 3_757 ?
O2 C8 1.277(5) . ?
O3 C8 1.232(5) . ?
O4 C2 1.369(5) . ?
O4 C9 1.432(5) . ?
O4 Dy1 2.510(3) 3_757 ?
O5 C16 1.271(5) . ?
O6 C18 1.268(5) . ?
O7 C25 1.241(5) . ?
C1 C2 1.410(5) . ?
C1 C6 1.419(6) . ?
C2 C3 1.378(6) . ?
C3 C4 1.373(7) . ?
C3 H3A 0.9300 . ?
C4 C5 1.358(7) . ?
C4 H4A 0.9300 . ?
C5 C6 1.407(6) . ?
C5 H5A 0.9300 . ?
C6 C7 1.439(6) . ?
C7 H7A 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C15 1.384(7) . ?
C10 C11 1.389(8) . ?
C10 H10A 0.9300 . ?
C11 C12 1.379(9) . ?
C11 H11A 0.9300 . ?
C12 C13 1.364(9) . ?
C12 H12A 0.9300 . ?
C13 C14 1.375(8) . ?
C13 H13A 0.9300 . ?
C14 C15 1.387(7) . ?
C14 H14A 0.9300 . ?
C15 C16 1.501(6) . ?
C16 C17 1.399(6) . ?
C17 C18 1.395(6) . ?
C17 H17A 0.9300 . ?
C18 C19 1.503(6) . ?
C19 C24 1.379(7) . ?
C19 C20 1.386(6) . ?
C20 C21 1.375(7) . ?
C20 H20A 0.9300 . ?
C21 C22 1.357(9) . ?
C21 H21A 0.9300 . ?
C22 C23 1.370(10) . ?
C22 H22A 0.9300 . ?
C23 C24 1.364(7) . ?
C23 H23A 0.9300 . ?
C24 H24A 0.9300 . ?
C25 C28 1.498(6) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 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
O2 Dy1 O5 95.65(11) . . ?
O2 Dy1 O6 86.03(10) . . ?
O5 Dy1 O6 71.68(10) . . ?
O2 Dy1 O1 139.44(9) . . ?
O5 Dy1 O1 76.35(10) . . ?
O6 Dy1 O1 126.49(9) . . ?
O2 Dy1 O7 85.39(11) . . ?
O5 Dy1 O7 149.42(11) . . ?
O6 Dy1 O7 138.69(10) . . ?
O1 Dy1 O7 83.09(10) . . ?
O2 Dy1 O1 143.15(10) . 3_757 ?
O5 Dy1 O1 110.83(9) . 3_757 ?
O6 Dy1 O1 78.93(9) . 3_757 ?
O1 Dy1 O1 73.85(9) . 3_757 ?
O7 Dy1 O1 84.23(10) . 3_757 ?
O2 Dy1 N1 65.42(10) . . ?
O5 Dy1 N1 77.32(11) . . ?
O6 Dy1 N1 135.14(11) . . ?
O1 Dy1 N1 74.05(9) . . ?
O7 Dy1 N1 75.40(11) . . ?
O1 Dy1 N1 143.64(10) 3_757 . ?
O2 Dy1 O4 77.86(10) . 3_757 ?
O5 Dy1 O4 140.59(10) . 3_757 ?
O6 Dy1 O4 69.12(10) . 3_757 ?
O1 Dy1 O4 132.29(9) . 3_757 ?
O7 Dy1 O4 69.57(10) . 3_757 ?
O1 Dy1 O4 65.38(9) 3_757 3_757 ?
N1 Dy1 O4 130.58(10) . 3_757 ?
O2 Dy1 Dy1 167.36(8) . 3_757 ?
O5 Dy1 Dy1 94.39(8) . 3_757 ?
O6 Dy1 Dy1 104.44(7) . 3_757 ?
O1 Dy1 Dy1 37.14(6) . 3_757 ?
O7 Dy1 Dy1 82.06(8) . 3_757 ?
O1 Dy1 Dy1 36.71(6) 3_757 3_757 ?
N1 Dy1 Dy1 109.58(8) . 3_757 ?
O4 Dy1 Dy1 99.03(6) 3_757 3_757 ?
C7 N1 N2 116.9(3) . . ?
C7 N1 Dy1 131.0(3) . . ?
N2 N1 Dy1 112.0(2) . . ?
C8 N2 N1 118.3(3) . . ?
C8 N2 H2A 120.9 . . ?
N1 N2 H2A 120.9 . . ?
C25 N3 C26 125.3(5) . . ?
C25 N3 C27 118.6(4) . . ?
C26 N3 C27 116.1(5) . . ?
C1 O1 Dy1 132.1(2) . . ?
C1 O1 Dy1 120.6(2) . 3_757 ?
Dy1 O1 Dy1 106.15(9) . 3_757 ?
C8 O2 Dy1 125.7(3) . . ?
C2 O4 C9 117.6(3) . . ?
C2 O4 Dy1 117.0(2) . 3_757 ?
C9 O4 Dy1 123.3(3) . 3_757 ?
C16 O5 Dy1 139.5(3) . . ?
C18 O6 Dy1 138.4(3) . . ?
C25 O7 Dy1 155.4(3) . . ?
O1 C1 C2 119.3(3) . . ?
O1 C1 C6 123.9(3) . . ?
C2 C1 C6 116.7(3) . . ?
O4 C2 C3 122.8(4) . . ?
O4 C2 C1 114.7(3) . . ?
C3 C2 C1 122.5(4) . . ?
C4 C3 C2 119.8(4) . . ?
C4 C3 H3A 120.1 . . ?
C2 C3 H3A 120.1 . . ?
C5 C4 C3 119.8(4) . . ?
C5 C4 H4A 120.1 . . ?
C3 C4 H4A 120.1 . . ?
C4 C5 C6 122.2(5) . . ?
C4 C5 H5A 118.9 . . ?
C6 C5 H5A 118.9 . . ?
C5 C6 C1 118.9(4) . . ?
C5 C6 C7 115.8(4) . . ?
C1 C6 C7 125.3(4) . . ?
N1 C7 C6 125.8(4) . . ?
N1 C7 H7A 117.1 . . ?
C6 C7 H7A 117.1 . . ?
O3 C8 O2 127.1(4) . . ?
O3 C8 N2 117.6(4) . . ?
O2 C8 N2 115.4(3) . . ?
O4 C9 H9A 109.5 . . ?
O4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
O4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C15 C10 C11 120.6(5) . . ?
C15 C10 H10A 119.7 . . ?
C11 C10 H10A 119.7 . . ?
C12 C11 C10 119.7(6) . . ?
C12 C11 H11A 120.1 . . ?
C10 C11 H11A 120.1 . . ?
C13 C12 C11 119.1(5) . . ?
C13 C12 H12A 120.4 . . ?
C11 C12 H12A 120.4 . . ?
C12 C13 C14 122.1(6) . . ?
C12 C13 H13A 118.9 . . ?
C14 C13 H13A 118.9 . . ?
C13 C14 C15 119.2(5) . . ?
C13 C14 H14A 120.4 . . ?
C15 C14 H14A 120.4 . . ?
C10 C15 C14 119.2(5) . . ?
C10 C15 C16 118.1(4) . . ?
C14 C15 C16 122.7(4) . . ?
O5 C16 C17 123.0(4) . . ?
O5 C16 C15 116.1(4) . . ?
C17 C16 C15 120.9(4) . . ?
C18 C17 C16 123.3(4) . . ?
C18 C17 H17A 118.3 . . ?
C16 C17 H17A 118.3 . . ?
O6 C18 C17 123.9(4) . . ?
O6 C18 C19 115.9(4) . . ?
C17 C18 C19 120.1(4) . . ?
C24 C19 C20 118.8(4) . . ?
C24 C19 C18 118.8(4) . . ?
C20 C19 C18 122.4(4) . . ?
C21 C20 C19 119.4(5) . . ?
C21 C20 H20A 120.3 . . ?
C19 C20 H20A 120.3 . . ?
C22 C21 C20 121.0(6) . . ?
C22 C21 H21A 119.5 . . ?
C20 C21 H21A 119.5 . . ?
C21 C22 C23 119.9(5) . . ?
C21 C22 H22A 120.0 . . ?
C23 C22 H22A 120.0 . . ?
C24 C23 C22 119.8(6) . . ?
C24 C23 H23A 120.1 . . ?
C22 C23 H23A 120.1 . . ?
C23 C24 C19 120.9(5) . . ?
C23 C24 H24A 119.6 . . ?
C19 C24 H24A 119.6 . . ?
O7 C25 N3 121.4(4) . . ?
O7 C25 C28 118.8(4) . . ?
N3 C25 C28 119.7(4) . . ?
N3 C26 H26A 109.5 . . ?
N3 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N3 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N3 C27 H27A 109.5 . . ?
N3 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N3 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 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 164.4(4) . . . . ?
Dy1 N1 N2 C8 -17.4(5) . . . . ?
Dy1 O1 C1 C2 -151.4(3) . . . . ?
Dy1 O1 C1 C2 14.5(4) 3_757 . . . ?
Dy1 O1 C1 C6 29.4(5) . . . . ?
Dy1 O1 C1 C6 -164.7(3) 3_757 . . . ?
C9 O4 C2 C3 3.6(6) . . . . ?
Dy1 O4 C2 C3 168.0(3) 3_757 . . . ?
C9 O4 C2 C1 -176.9(4) . . . . ?
Dy1 O4 C2 C1 -12.5(4) 3_757 . . . ?
O1 C1 C2 O4 -0.5(5) . . . . ?
C6 C1 C2 O4 178.7(3) . . . . ?
O1 C1 C2 C3 179.0(4) . . . . ?
C6 C1 C2 C3 -1.8(6) . . . . ?
O4 C2 C3 C4 -179.7(4) . . . . ?
C1 C2 C3 C4 0.8(7) . . . . ?
C2 C3 C4 C5 1.3(9) . . . . ?
C3 C4 C5 C6 -2.5(9) . . . . ?
C4 C5 C6 C1 1.4(7) . . . . ?
C4 C5 C6 C7 -179.6(5) . . . . ?
O1 C1 C6 C5 179.9(4) . . . . ?
C2 C1 C6 C5 0.7(6) . . . . ?
O1 C1 C6 C7 1.0(6) . . . . ?
C2 C1 C6 C7 -178.2(4) . . . . ?
N2 N1 C7 C6 179.9(4) . . . . ?
Dy1 N1 C7 C6 2.0(7) . . . . ?
C5 C6 C7 N1 164.7(4) . . . . ?
C1 C6 C7 N1 -16.4(7) . . . . ?
Dy1 O2 C8 O3 -170.3(4) . . . . ?
Dy1 O2 C8 N2 9.7(6) . . . . ?
N1 N2 C8 O3 -173.0(4) . . . . ?
N1 N2 C8 O2 7.0(7) . . . . ?
C15 C10 C11 C12 0.1(8) . . . . ?
C10 C11 C12 C13 1.2(9) . . . . ?
C11 C12 C13 C14 -1.4(10) . . . . ?
C12 C13 C14 C15 0.2(10) . . . . ?
C11 C10 C15 C14 -1.3(7) . . . . ?
C11 C10 C15 C16 177.7(5) . . . . ?
C13 C14 C15 C10 1.1(8) . . . . ?
C13 C14 C15 C16 -177.8(5) . . . . ?
Dy1 O5 C16 C17 7.8(7) . . . . ?
Dy1 O5 C16 C15 -170.0(3) . . . . ?
C10 C15 C16 O5 11.3(6) . . . . ?
C14 C15 C16 O5 -169.8(4) . . . . ?
C10 C15 C16 C17 -166.6(4) . . . . ?
C14 C15 C16 C17 12.4(7) . . . . ?
O5 C16 C17 C18 -3.9(6) . . . . ?
C15 C16 C17 C18 173.7(4) . . . . ?
Dy1 O6 C18 C17 -0.3(6) . . . . ?
Dy1 O6 C18 C19 175.4(3) . . . . ?
C16 C17 C18 O6 0.6(6) . . . . ?
C16 C17 C18 C19 -174.9(4) . . . . ?
O6 C18 C19 C24 -35.3(6) . . . . ?
C17 C18 C19 C24 140.6(4) . . . . ?
O6 C18 C19 C20 145.7(4) . . . . ?
C17 C18 C19 C20 -38.4(6) . . . . ?
C24 C19 C20 C21 0.7(7) . . . . ?
C18 C19 C20 C21 179.6(5) . . . . ?
C19 C20 C21 C22 -3.0(9) . . . . ?
C20 C21 C22 C23 1.3(10) . . . . ?
C21 C22 C23 C24 2.6(10) . . . . ?
C22 C23 C24 C19 -4.9(8) . . . . ?
C20 C19 C24 C23 3.2(7) . . . . ?
C18 C19 C24 C23 -175.8(4) . . . . ?
Dy1 O7 C25 N3 -166.1(5) . . . . ?
Dy1 O7 C25 C28 15.6(10) . . . . ?
C26 N3 C25 O7 -179.1(5) . . . . ?
C27 N3 C25 O7 -1.4(7) . . . . ?
C26 N3 C25 C28 -0.8(7) . . . . ?
C27 N3 C25 C28 176.9(5) . . . . ?

_refine_diff_density_max         1.278
_refine_diff_density_min         -0.398
_refine_diff_density_rms         0.096

