# 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 1429731'
_audit_update_record             
;
2015-12-16 deposited with the CCDC.
2016-01-15 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            'C42 H52 Dy2 N2 O12'
_chemical_formula_weight         1101.85

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'
O O 0.0106 0.0060 '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'
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                   24.6845(13)
_cell_length_b                   10.3099(4)
_cell_length_c                   16.8554(7)
_cell_angle_alpha                90
_cell_angle_beta                 91.967(4)
_cell_angle_gamma                90
_cell_volume                     4287.1(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6922
_cell_measurement_theta_min      2.9690
_cell_measurement_theta_max      29.5810

_exptl_crystal_description       block
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_F_000             2184
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_absorpt_coefficient_mu    3.522
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15912
_diffrn_reflns_av_unetI/netI     0.0419
_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.975
_diffrn_reflns_theta_max         29.647
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.845
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.845
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.845
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5129
_reflns_number_gt                4153
_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.
;


_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)+(0.0183P)²+4.3278P] 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         5129
_refine_ls_number_parameters     271
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0285
_refine_ls_wR_factor_ref         0.0629
_refine_ls_wR_factor_gt          0.0532
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_restrained_S_all      1.115
_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 0.17115(2) 0.72719(2) 0.49033(2) 0.02995(6) Uani 1 1 d D . . . .
O2 O 0.25103(9) 0.8136(2) 0.43308(12) 0.0314(5) Uani 1 1 d . . . . .
O5 O 0.08622(10) 0.8236(3) 0.46325(15) 0.0421(6) Uani 1 1 d . . . . .
O3 O 0.11389(11) 0.5515(2) 0.49828(15) 0.0431(6) Uani 1 1 d . . . . .
O4 O 0.13674(11) 0.7309(2) 0.61733(14) 0.0424(7) Uani 1 1 d . . . . .
O1 O 0.21329(11) 0.5396(2) 0.43014(16) 0.0458(7) Uani 1 1 d D . . . .
H1 H 0.2479(4) 0.535(3) 0.434(2) 0.069 Uiso 1 1 d D U . . .
N1 N 0.16056(13) 0.7865(3) 0.34009(16) 0.0337(7) Uani 1 1 d . . . . .
C6 C 0.19512(15) 0.8874(3) 0.32516(18) 0.0316(8) Uani 1 1 d . . . . .
C10 C 0.21898(18) 1.0860(4) 0.2552(2) 0.0497(11) Uani 1 1 d . . . . .
H10 H 0.2121 1.1468 0.2154 0.060 Uiso 1 1 calc R U . . .
O6 O 0.17900(10) 0.9468(2) 0.52564(14) 0.0368(6) Uani 1 1 d . . . . .
C12 C 0.09930(17) 0.6737(4) 0.6517(2) 0.0429(9) Uani 1 1 d . . . . .
C5 C 0.18471(17) 0.9785(4) 0.2629(2) 0.0409(9) Uani 1 1 d . . . . .
C2 C 0.11873(17) 0.7663(4) 0.2904(2) 0.0412(9) Uani 1 1 d . . . . .
C7 C 0.24182(14) 0.9028(3) 0.37629(18) 0.0300(8) Uani 1 1 d . . . . .
C13 C 0.07065(17) 0.5679(4) 0.6206(2) 0.0484(10) Uani 1 1 d . . . . .
H13 H 0.0433 0.5332 0.6506 0.058 Uiso 1 1 calc R U . . .
C3 C 0.10845(18) 0.8470(5) 0.2242(2) 0.0535(12) Uani 1 1 d . . . . .
H3 H 0.0798 0.8279 0.1889 0.064 Uiso 1 1 calc R U . . .
C20 C 0.18229(18) 1.1745(4) 0.5183(3) 0.0584(12) Uani 1 1 d . . . . .
H20A H 0.2171 1.1745 0.4945 0.088 Uiso 1 1 calc R U . . .
H20B H 0.1870 1.1852 0.5747 0.088 Uiso 1 1 calc R U . . .
H20C H 0.1608 1.2446 0.4968 0.088 Uiso 1 1 calc R U . . .
C8 C 0.27417(16) 1.0095(3) 0.3663(2) 0.0398(9) Uani 1 1 d . . . . .
H8 H 0.3045 1.0217 0.3997 0.048 Uiso 1 1 calc R U . . .
C4 C 0.13966(19) 0.9516(4) 0.2115(2) 0.0534(12) Uani 1 1 d . . . . .
H4 H 0.1316 1.0061 0.1687 0.064 Uiso 1 1 calc R U . . .
C17 C 0.07263(16) 0.9368(4) 0.4444(2) 0.0419(9) Uani 1 1 d . . . . .
C21 C 0.19436(18) 0.4460(4) 0.3736(2) 0.0509(11) Uani 1 1 d D . . . .
H21A H 0.1932 0.4839 0.3216 0.076 Uiso 1 1 calc R U . . .
H21B H 0.1586 0.4181 0.3866 0.076 Uiso 1 1 calc R U . . .
H21C H 0.2184 0.3728 0.3745 0.076 Uiso 1 1 calc R U . . .
C9 C 0.26212(18) 1.1007(4) 0.3062(2) 0.0482(10) Uani 1 1 d . . . . .
H9 H 0.2843 1.1729 0.3013 0.058 Uiso 1 1 calc R U . . .
C15 C 0.04972(18) 0.3888(4) 0.5246(3) 0.0591(12) Uani 1 1 d . . . . .
H15A H 0.0714 0.3144 0.5388 0.089 Uiso 1 1 calc R U . . .
H15B H 0.0420 0.3887 0.4684 0.089 Uiso 1 1 calc R U . . .
H15C H 0.0163 0.3857 0.5522 0.089 Uiso 1 1 calc R U . . .
C14 C 0.08022(16) 0.5106(4) 0.5475(2) 0.0413(9) Uani 1 1 d . . . . .
C18 C 0.10464(17) 1.0479(4) 0.4603(2) 0.0461(10) Uani 1 1 d . . . . .
H18 H 0.0913 1.1272 0.4421 0.055 Uiso 1 1 calc R U . . .
C19 C 0.15406(16) 1.0479(4) 0.5008(2) 0.0388(9) Uani 1 1 d . . . . .
C1 C 0.08183(18) 0.6549(4) 0.3062(3) 0.0604(13) Uani 1 1 d . . . . .
H1A H 0.0881 0.5867 0.2689 0.091 Uiso 1 1 calc R U . . .
H1B H 0.0448 0.6832 0.3008 0.091 Uiso 1 1 calc R U . . .
H1C H 0.0889 0.6234 0.3592 0.091 Uiso 1 1 calc R U . . .
C11 C 0.0850(2) 0.7238(4) 0.7324(3) 0.0661(14) Uani 1 1 d . . . . .
H11A H 0.0693 0.8086 0.7270 0.099 Uiso 1 1 calc R U . . .
H11B H 0.1171 0.7284 0.7659 0.099 Uiso 1 1 calc R U . . .
H11C H 0.0594 0.6661 0.7556 0.099 Uiso 1 1 calc R U . . .
C16 C 0.01855(18) 0.9552(4) 0.4013(3) 0.0648(14) Uani 1 1 d . . . . .
H16A H -0.0078 0.8993 0.4240 0.097 Uiso 1 1 calc R U . . .
H16B H 0.0219 0.9342 0.3462 0.097 Uiso 1 1 calc R U . . .
H16C H 0.0072 1.0438 0.4062 0.097 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 O3 2.305(2) . ?
Dy1 O2 2.316(2) 7_566 ?
Dy1 O4 2.330(3) . ?
Dy1 O6 2.347(2) . ?
Dy1 O5 2.351(3) . ?
Dy1 O2 2.397(2) . ?
Dy1 O1 2.434(3) . ?
Dy1 N1 2.610(3) . ?
Dy1 Dy1 3.9232(4) 7_566 ?
O2 C7 1.341(4) . ?
O2 Dy1 2.316(2) 7_566 ?
O5 C17 1.252(4) . ?
O3 C14 1.267(5) . ?
O4 C12 1.255(5) . ?
O1 C21 1.424(4) . ?
O1 H1 0.856(9) . ?
N1 C2 1.324(4) . ?
N1 C6 1.374(4) . ?
C6 C7 1.424(4) . ?
C6 C5 1.425(4) . ?
C10 C9 1.353(5) . ?
C10 C5 1.403(6) . ?
C10 H10 0.9300 . ?
O6 C19 1.274(4) . ?
C12 C13 1.393(5) . ?
C12 C11 1.508(6) . ?
C5 C4 1.414(5) . ?
C2 C3 1.408(5) . ?
C2 C1 1.495(6) . ?
C7 C8 1.374(5) . ?
C13 C14 1.393(5) . ?
C13 H13 0.9300 . ?
C3 C4 1.346(6) . ?
C3 H3 0.9300 . ?
C20 C19 1.504(5) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C8 C9 1.406(5) . ?
C8 H8 0.9300 . ?
C4 H4 0.9300 . ?
C17 C18 1.412(5) . ?
C17 C16 1.510(5) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C9 H9 0.9300 . ?
C15 C14 1.508(5) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C18 C19 1.377(5) . ?
C18 H18 0.9300 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 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
O3 Dy1 O2 108.87(8) . 7_566 ?
O3 Dy1 O4 73.49(9) . . ?
O2 Dy1 O4 79.20(9) 7_566 . ?
O3 Dy1 O6 142.08(9) . . ?
O2 Dy1 O6 88.53(8) 7_566 . ?
O4 Dy1 O6 77.34(8) . . ?
O3 Dy1 O5 78.41(9) . . ?
O2 Dy1 O5 154.45(8) 7_566 . ?
O4 Dy1 O5 79.67(9) . . ?
O6 Dy1 O5 72.93(9) . . ?
O3 Dy1 O2 146.14(9) . . ?
O2 Dy1 O2 67.29(8) 7_566 . ?
O4 Dy1 O2 134.01(8) . . ?
O6 Dy1 O2 71.43(8) . . ?
O5 Dy1 O2 120.33(8) . . ?
O3 Dy1 O1 70.81(10) . . ?
O2 Dy1 O1 74.33(8) 7_566 . ?
O4 Dy1 O1 124.78(9) . . ?
O6 Dy1 O1 147.08(9) . . ?
O5 Dy1 O1 130.25(8) . . ?
O2 Dy1 O1 76.01(9) . . ?
O3 Dy1 N1 101.49(9) . . ?
O2 Dy1 N1 129.57(9) 7_566 . ?
O4 Dy1 N1 149.33(10) . . ?
O6 Dy1 N1 91.42(8) . . ?
O5 Dy1 N1 69.73(9) . . ?
O2 Dy1 N1 65.07(8) . . ?
O1 Dy1 N1 79.13(9) . . ?
O3 Dy1 Dy1 134.28(7) . 7_566 ?
O2 Dy1 Dy1 34.30(6) 7_566 7_566 ?
O4 Dy1 Dy1 108.29(7) . 7_566 ?
O6 Dy1 Dy1 77.90(6) . 7_566 ?
O5 Dy1 Dy1 147.25(6) . 7_566 ?
O2 Dy1 Dy1 32.99(5) . 7_566 ?
O1 Dy1 Dy1 72.12(6) . 7_566 ?
N1 Dy1 Dy1 96.81(7) . 7_566 ?
C7 O2 Dy1 129.8(2) . 7_566 ?
C7 O2 Dy1 114.9(2) . . ?
Dy1 O2 Dy1 112.71(8) 7_566 . ?
C17 O5 Dy1 132.3(2) . . ?
C14 O3 Dy1 135.8(2) . . ?
C12 O4 Dy1 135.6(2) . . ?
C21 O1 Dy1 133.0(2) . . ?
C21 O1 H1 108.0(13) . . ?
Dy1 O1 H1 117.3(13) . . ?
C2 N1 C6 118.6(3) . . ?
C2 N1 Dy1 128.9(3) . . ?
C6 N1 Dy1 108.24(19) . . ?
N1 C6 C7 117.9(3) . . ?
N1 C6 C5 122.5(3) . . ?
C7 C6 C5 119.6(3) . . ?
C9 C10 C5 119.6(4) . . ?
C9 C10 H10 120.2 . . ?
C5 C10 H10 120.2 . . ?
C19 O6 Dy1 132.2(2) . . ?
O4 C12 C13 124.5(4) . . ?
O4 C12 C11 117.1(4) . . ?
C13 C12 C11 118.5(4) . . ?
C10 C5 C4 124.3(4) . . ?
C10 C5 C6 119.6(3) . . ?
C4 C5 C6 116.1(4) . . ?
N1 C2 C3 121.6(4) . . ?
N1 C2 C1 118.3(3) . . ?
C3 C2 C1 120.1(4) . . ?
O2 C7 C8 123.5(3) . . ?
O2 C7 C6 118.0(3) . . ?
C8 C7 C6 118.4(3) . . ?
C12 C13 C14 124.5(4) . . ?
C12 C13 H13 117.8 . . ?
C14 C13 H13 117.8 . . ?
C4 C3 C2 120.7(4) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C7 C8 C9 121.0(3) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C3 C4 C5 120.1(4) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
O5 C17 C18 124.3(3) . . ?
O5 C17 C16 117.6(4) . . ?
C18 C17 C16 118.0(4) . . ?
O1 C21 H21A 109.5 . . ?
O1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C10 C9 C8 121.7(4) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
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 . . ?
O3 C14 C13 125.0(3) . . ?
O3 C14 C15 116.3(4) . . ?
C13 C14 C15 118.8(4) . . ?
C19 C18 C17 125.1(4) . . ?
C19 C18 H18 117.4 . . ?
C17 C18 H18 117.4 . . ?
O6 C19 C18 124.9(3) . . ?
O6 C19 C20 115.5(3) . . ?
C18 C19 C20 119.6(4) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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
C2 N1 C6 C7 -176.1(3) . . . . ?
Dy1 N1 C6 C7 25.2(4) . . . . ?
C2 N1 C6 C5 6.3(5) . . . . ?
Dy1 N1 C6 C5 -152.4(3) . . . . ?
Dy1 O4 C12 C13 10.6(6) . . . . ?
Dy1 O4 C12 C11 -169.7(3) . . . . ?
C9 C10 C5 C4 -177.9(4) . . . . ?
C9 C10 C5 C6 1.2(6) . . . . ?
N1 C6 C5 C10 174.3(3) . . . . ?
C7 C6 C5 C10 -3.3(5) . . . . ?
N1 C6 C5 C4 -6.6(5) . . . . ?
C7 C6 C5 C4 175.8(3) . . . . ?
C6 N1 C2 C3 -1.3(6) . . . . ?
Dy1 N1 C2 C3 152.4(3) . . . . ?
C6 N1 C2 C1 179.0(3) . . . . ?
Dy1 N1 C2 C1 -27.3(5) . . . . ?
Dy1 O2 C7 C8 -16.9(5) 7_566 . . . ?
Dy1 O2 C7 C8 143.1(3) . . . . ?
Dy1 O2 C7 C6 164.9(2) 7_566 . . . ?
Dy1 O2 C7 C6 -35.1(4) . . . . ?
N1 C6 C7 O2 3.8(5) . . . . ?
C5 C6 C7 O2 -178.5(3) . . . . ?
N1 C6 C7 C8 -174.5(3) . . . . ?
C5 C6 C7 C8 3.2(5) . . . . ?
O4 C12 C13 C14 0.8(7) . . . . ?
C11 C12 C13 C14 -178.9(4) . . . . ?
N1 C2 C3 C4 -3.2(7) . . . . ?
C1 C2 C3 C4 176.6(4) . . . . ?
O2 C7 C8 C9 -179.2(3) . . . . ?
C6 C7 C8 C9 -1.0(6) . . . . ?
C2 C3 C4 C5 2.6(7) . . . . ?
C10 C5 C4 C3 -178.9(4) . . . . ?
C6 C5 C4 C3 2.0(6) . . . . ?
Dy1 O5 C17 C18 -22.8(6) . . . . ?
Dy1 O5 C17 C16 156.8(3) . . . . ?
C5 C10 C9 C8 1.0(6) . . . . ?
C7 C8 C9 C10 -1.1(6) . . . . ?
Dy1 O3 C14 C13 -3.7(6) . . . . ?
Dy1 O3 C14 C15 177.8(3) . . . . ?
C12 C13 C14 O3 -4.2(7) . . . . ?
C12 C13 C14 C15 174.3(4) . . . . ?
O5 C17 C18 C19 -2.3(7) . . . . ?
C16 C17 C18 C19 178.2(4) . . . . ?
Dy1 O6 C19 C18 19.2(6) . . . . ?
Dy1 O6 C19 C20 -160.7(3) . . . . ?
C17 C18 C19 O6 4.1(7) . . . . ?
C17 C18 C19 C20 -176.1(4) . . . . ?

_refine_diff_density_max         0.929
_refine_diff_density_min         -1.734
_refine_diff_density_rms         0.121

####################################################################### 
# 
# 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 1429732'
_audit_update_record             
;
2015-12-16 deposited with the CCDC.
2016-01-15 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            'C86 H74 Dy2 N2 O10'
_chemical_formula_weight         1620.47

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'
O O 0.0106 0.0060 '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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   13.0887(8)
_cell_length_b                   13.5801(8)
_cell_length_c                   13.5961(7)
_cell_angle_alpha                102.811(5)
_cell_angle_beta                 112.601(5)
_cell_angle_gamma                111.598(6)
_cell_volume                     1879.6(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6312
_cell_measurement_theta_min      3.0689
_cell_measurement_theta_max      29.1729

_exptl_crystal_description       block
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_F_000             816
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_absorpt_coefficient_mu    2.032
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14997
_diffrn_reflns_av_unetI/netI     0.0686
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.075
_diffrn_reflns_theta_max         29.089
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.841
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.841
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.841
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             8474
_reflns_number_gt                7222
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          

# The shorter distance of two H atoms in Alert A is owing to the 
# disorder of the  hexane molecule.

# dfix c41 c42 c42 c43 1.64
# dfix c41 c41_$1 1.65
# dfix c41 c42_$1 2.85
# omit -2 0 1
# omit -2 0 2
# omit -1 -3 1
# omit -1 -2 1
# omit 1 5 1
# eadp c42 c42'
# eadp c41 c41'
# damp 5000
# eqiv $1 -x, -y, -z+1
# isor 0.002 c41 c42 c43 c41' c42'
# delu c41 c42 c43 c41' c42' 0.002
# dfix c41' c42' c42' c43 1.45
# dfix c41' c41'_$1 1.45




;
 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       'CrysAlis PRO (Agilent, 2011)'
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0481P)²+0.9339P] 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         8474
_refine_ls_number_parameters     458
_refine_ls_number_restraints     43
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0455
_refine_ls_wR_factor_ref         0.1221
_refine_ls_wR_factor_gt          0.1085
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_restrained_S_all      1.139
_refine_ls_shift/su_max          0.093
_refine_ls_shift/su_mean         0.009

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 0.33568(2) 0.48143(2) 0.44844(2) 0.03077(3) Uani 1 1 d . . . . .
O1 O 0.52114(9) 0.56354(9) 0.43858(8) 0.0305(3) Uani 1 1 d . . . . .
N1 N 0.67855(13) 0.52719(13) 0.37562(12) 0.0405(5) Uani 1 1 d . . . . .
C1 C 0.52413(15) 0.58694(15) 0.34898(14) 0.0354(5) Uani 1 1 d . . . . .
C2 C 0.45261(18) 0.62839(18) 0.28996(16) 0.0547(7) Uani 1 1 d . . . . .
H2 H 0.3997 0.6432 0.3134 0.066 Uiso 1 1 calc R U . . .
C3 C 0.4564(2) 0.6493(2) 0.19506(19) 0.0738(9) Uani 1 1 d . . . . .
H3 H 0.4067 0.6782 0.1567 0.089 Uiso 1 1 calc R U . . .
C4 C 0.5319(2) 0.6280(2) 0.15852(18) 0.0825(9) Uani 1 1 d . . . . .
H4 H 0.5333 0.6414 0.0948 0.099 Uiso 1 1 calc R U . . .
C5 C 0.60741(19) 0.5859(2) 0.21608(16) 0.0614(8) Uani 1 1 d . . . . .
C6 C 0.60437(15) 0.56527(16) 0.31217(14) 0.0374(6) Uani 1 1 d . . . . .
C7 C 0.6884(2) 0.5617(3) 0.18471(19) 0.0922(11) Uani 1 1 d . . . . .
H7 H 0.6927 0.5725 0.1209 0.111 Uiso 1 1 calc R U . . .
C8 C 0.7608(2) 0.5226(3) 0.24658(19) 0.0895(11) Uani 1 1 d . . . . .
H8 H 0.8142 0.5064 0.2250 0.107 Uiso 1 1 calc R U . . .
C9 C 0.75484(17) 0.5067(2) 0.34364(17) 0.0585(8) Uani 1 1 d . . . . .
C10 C 0.83736(19) 0.4674(2) 0.4145(2) 0.0788(8) Uani 1 1 d . . . . .
H10A H 0.8936 0.5247 0.4947 0.095 Uiso 1 1 d R U . . .
H10B H 0.8872 0.4564 0.3812 0.095 Uiso 1 1 d R U . . .
H10C H 0.7839 0.3947 0.4118 0.095 Uiso 1 1 d R U . . .
C11 C -0.11036(19) 0.1962(2) 0.3253(2) 0.0709(9) Uani 1 1 d . . . . .
H11 H -0.0430 0.2168 0.3984 0.085 Uiso 1 1 calc R U . . .
C12 C -0.2316(2) 0.1505(3) 0.3061(2) 0.0997(13) Uani 1 1 d . . . . .
H12 H -0.2468 0.1369 0.3645 0.120 Uiso 1 1 calc R U . . .
C13 C -0.3287(2) 0.1253(3) 0.2033(3) 0.1191(16) Uani 1 1 d . . . . .
H13 H -0.4107 0.0964 0.1920 0.143 Uiso 1 1 calc R U . . .
C14 C -0.3097(3) 0.1410(3) 0.1145(3) 0.1189(18) Uani 1 1 d . . . . .
H14 H -0.3781 0.1221 0.0429 0.143 Uiso 1 1 calc R U . . .
C15 C -0.1856(2) 0.1861(3) 0.1331(3) 0.0876(13) Uani 1 1 d . . . . .
H15 H -0.1707 0.1983 0.0741 0.105 Uiso 1 1 calc R U . . .
C16 C -0.08568(17) 0.21237(18) 0.23923(18) 0.0498(7) Uani 1 1 d . . . . .
C17 C 0.04810(17) 0.26108(16) 0.26360(16) 0.0436(7) Uani 1 1 d . . . . .
C18 C 0.06898(17) 0.22973(17) 0.17133(15) 0.0455(7) Uani 1 1 d . . . . .
H18 H -0.0017 0.1795 0.0962 0.055 Uiso 1 1 calc R U . . .
C19 C 0.19105(16) 0.27027(15) 0.18662(14) 0.0381(6) Uani 1 1 d . . . . .
C20 C 0.20788(17) 0.21828(15) 0.08930(15) 0.0449(6) Uani 1 1 d . . . . .
C21 C 0.1120(2) 0.12300(16) -0.01463(16) 0.0522(8) Uani 1 1 d . . . . .
H21 H 0.0293 0.0869 -0.0277 0.063 Uiso 1 1 calc R U . . .
C22 C 0.1353(3) 0.0797(2) -0.09981(19) 0.0774(11) Uani 1 1 d . . . . .
H22 H 0.0679 0.0172 -0.1711 0.093 Uiso 1 1 calc R U . . .
C23 C 0.2558(3) 0.1272(2) -0.0810(2) 0.0905(11) Uani 1 1 d . . . . .
H23 H 0.2724 0.0950 -0.1369 0.109 Uiso 1 1 calc R U . . .
C24 C 0.3519(2) 0.2226(3) 0.0209(2) 0.0912(11) Uani 1 1 d . . . . .
H24 H 0.4342 0.2577 0.0331 0.109 Uiso 1 1 calc R U . . .
C25 C 0.3300(2) 0.2681(2) 0.10572(18) 0.0644(8) Uani 1 1 d . . . . .
H25 H 0.3975 0.3330 0.1751 0.077 Uiso 1 1 calc R U . . .
C26 C 0.5957(3) 0.8898(2) 0.7225(2) 0.0866(13) Uani 1 1 d . . . . .
H26 H 0.6012 0.8244 0.7269 0.104 Uiso 1 1 calc R U . . .
C27 C 0.6895(4) 0.9965(3) 0.8123(3) 0.128(2) Uani 1 1 d . . . . .
H27 H 0.7542 1.0031 0.8790 0.154 Uiso 1 1 calc R U . . .
C28 C 0.6870(4) 1.0944(2) 0.8028(3) 0.1112(18) Uani 1 1 d . . . . .
H28 H 0.7529 1.1684 0.8609 0.133 Uiso 1 1 calc R U . . .
C29 C 0.5896(3) 1.0823(2) 0.7099(2) 0.1048(15) Uani 1 1 d . . . . .
H29 H 0.5870 1.1486 0.7047 0.126 Uiso 1 1 calc R U . . .
C30 C 0.4912(3) 0.97242(19) 0.6199(2) 0.0733(10) Uani 1 1 d . . . . .
H30 H 0.4236 0.9655 0.5555 0.088 Uiso 1 1 calc R U . . .
C31 C 0.49509(19) 0.87451(17) 0.62738(16) 0.0502(7) Uani 1 1 d . . . . .
C32 C 0.39480(16) 0.75402(15) 0.53391(15) 0.0412(6) Uani 1 1 d . . . . .
C33 C 0.28897(17) 0.73371(16) 0.43614(16) 0.0475(6) Uani 1 1 d . . . . .
H33 H 0.2791 0.7975 0.4328 0.057 Uiso 1 1 calc R U . . .
C34 C 0.19547(15) 0.62473(15) 0.34179(15) 0.0420(6) Uani 1 1 d . . . . .
C35 C 0.08352(16) 0.60883(17) 0.24018(15) 0.0477(6) Uani 1 1 d . . . . .
C36 C 0.0610(3) 0.6983(2) 0.2317(3) 0.0928(13) Uani 1 1 d . . . . .
H36 H 0.1161 0.7727 0.2932 0.111 Uiso 1 1 calc R U . . .
C37 C -0.0448(3) 0.6786(2) 0.1305(3) 0.1070(13) Uani 1 1 d . . . . .
H37 H -0.0585 0.7404 0.1261 0.128 Uiso 1 1 calc R U . . .
C38 C -0.1260(2) 0.5726(3) 0.0404(2) 0.0877(11) Uani 1 1 d . . . . .
H38 H -0.1960 0.5599 -0.0261 0.105 Uiso 1 1 calc R U . . .
C39 C -0.1033(2) 0.4846(3) 0.0490(2) 0.0888(11) Uani 1 1 d . . . . .
H39 H -0.1585 0.4104 -0.0127 0.107 Uiso 1 1 calc R U . . .
C40 C 0.0000(2) 0.5026(2) 0.14747(19) 0.0669(9) Uani 1 1 d . . . . .
H40 H 0.0127 0.4401 0.1504 0.080 Uiso 1 1 calc R U . . .
C41 C 0.0710(4) 0.0663(5) 0.5402(8) 0.2791(4) Uani 0.606(8) 1 d D U P A 1
H41A H 0.0561 0.1223 0.5124 0.335 Uiso 0.606(8) 1 calc R U P A 1
H41B H 0.0928 0.0933 0.6216 0.335 Uiso 0.606(8) 1 calc R U P A 1
C42 C 0.1987(4) 0.0678(9) 0.5364(5) 0.2770(4) Uani 0.606(8) 1 d D U P A 1
H42A H 0.2430 0.0370 0.5841 0.332 Uiso 0.606(8) 1 d R U P A 1
H42B H 0.2412 0.1512 0.5804 0.332 Uiso 0.606(8) 1 d R U P A 1
C42' C 0.1635(6) 0.0981(10) 0.4925(6) 0.2770(4) Uani 0.394(8) 1 d D U P A 2
H42C H 0.1492 0.1613 0.4826 0.332 Uiso 0.394(8) 1 calc R U P A 2
H42D H 0.2291 0.1284 0.5740 0.332 Uiso 0.394(8) 1 calc R U P A 2
C41' C 0.0428(3) 0.0048(11) 0.4733(4) 0.2791(4) Uani 0.394(8) 1 d D U P A 2
H41E H 0.0621 -0.0566 0.4802 0.335 Uiso 0.394(8) 1 calc R U P A 2
H41F H -0.0168 -0.0239 0.3902 0.335 Uiso 0.394(8) 1 calc R U P A 2
C43 C 0.2162(5) 0.0710(6) 0.4210(4) 0.2729(5) Uani 1 1 d D U . . .
H43A H 0.2939 0.0715 0.4340 0.327 Uiso 1 1 calc R U . A 1
H43B H 0.1446 0.0031 0.3511 0.327 Uiso 1 1 calc R U . A 1
H43C H 0.2200 0.1401 0.4119 0.327 Uiso 1 1 calc R U . A 1
O2 O 0.13627(11) 0.32669(11) 0.37071(10) 0.0443(5) Uani 1 1 d . . . . .
O3 O 0.29198(11) 0.35057(12) 0.28019(10) 0.0469(5) Uani 1 1 d . . . . .
O4 O 0.20197(11) 0.53332(10) 0.33644(11) 0.0455(5) Uani 1 1 d . . . . .
O5 O 0.41491(11) 0.67330(10) 0.55198(11) 0.0434(4) 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
Dy1 O5 2.2602(13) . ?
Dy1 O3 2.2719(14) . ?
Dy1 O2 2.2808(12) . ?
Dy1 O4 2.2832(15) . ?
Dy1 O1 2.3002(13) 2_666 ?
Dy1 O1 2.3404(12) . ?
Dy1 N1 2.4943(17) 2_666 ?
Dy1 Dy1 3.7652(3) 2_666 ?
O1 C1 1.336(2) . ?
O1 Dy1 2.3001(13) 2_666 ?
N1 C9 1.322(3) . ?
N1 C6 1.370(3) . ?
N1 Dy1 2.4943(17) 2_666 ?
C1 C2 1.359(3) . ?
C1 C6 1.416(3) . ?
C2 C3 1.396(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.354(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.391(4) . ?
C4 H4 0.9300 . ?
C5 C7 1.398(4) . ?
C5 C6 1.408(3) . ?
C7 C8 1.358(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.410(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.494(4) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9599 . ?
C10 H10C 0.9600 . ?
C11 C12 1.362(4) . ?
C11 C16 1.369(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.337(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.369(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.399(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.377(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.489(3) . ?
C17 O2 1.2736(18) . ?
C17 C18 1.394(3) . ?
C18 C19 1.395(3) . ?
C18 H18 0.9300 . ?
C19 O3 1.2590(16) . ?
C19 C20 1.491(3) . ?
C20 C21 1.370(2) . ?
C20 C25 1.388(3) . ?
C21 C22 1.372(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.355(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.359(3) . ?
C23 H23 0.9300 . ?
C24 C25 1.364(4) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C31 1.350(4) . ?
C26 C27 1.360(3) . ?
C26 H26 0.9300 . ?
C27 C28 1.375(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.328(5) . ?
C28 H28 0.9300 . ?
C29 C30 1.395(3) . ?
C29 H29 0.9300 . ?
C30 C31 1.374(4) . ?
C30 H30 0.9300 . ?
C31 C32 1.493(2) . ?
C32 O5 1.270(3) . ?
C32 C33 1.379(3) . ?
C33 C34 1.397(2) . ?
C33 H33 0.9300 . ?
C34 O4 1.263(3) . ?
C34 C35 1.477(3) . ?
C35 C40 1.356(3) . ?
C35 C36 1.370(4) . ?
C36 C37 1.408(4) . ?
C36 H36 0.9300 . ?
C37 C38 1.339(3) . ?
C37 H37 0.9300 . ?
C38 C39 1.353(5) . ?
C38 H38 0.9300 . ?
C39 C40 1.378(4) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 C42 1.686(10) . ?
C41 C41 1.729(8) 2_556 ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 C43 1.677(9) . ?
C42 H42A 0.9699 . ?
C42 H42B 0.9646 . ?
C42' C43 1.448(11) . ?
C42' C41' 1.495(10) . ?
C42' H42C 0.9700 . ?
C42' H42D 0.9700 . ?
C41' C41' 1.534(10) 2_556 ?
C41' H41E 0.9700 . ?
C41' H41F 0.9700 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 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
O5 Dy1 O3 143.35(6) . . ?
O5 Dy1 O2 129.29(6) . . ?
O3 Dy1 O2 73.34(5) . . ?
O5 Dy1 O4 73.10(4) . . ?
O3 Dy1 O4 88.68(5) . . ?
O2 Dy1 O4 76.26(5) . . ?
O5 Dy1 O1 105.31(4) . 2_666 ?
O3 Dy1 O1 91.34(5) . 2_666 ?
O2 Dy1 O1 106.54(5) . 2_666 ?
O4 Dy1 O1 177.08(5) . 2_666 ?
O5 Dy1 O1 79.66(5) . . ?
O3 Dy1 O1 74.99(4) . . ?
O2 Dy1 O1 148.22(5) . . ?
O4 Dy1 O1 105.66(5) . . ?
O1 Dy1 O1 71.54(5) 2_666 . ?
O5 Dy1 N1 80.87(6) . 2_666 ?
O3 Dy1 N1 135.74(6) . 2_666 ?
O2 Dy1 N1 76.18(4) . 2_666 ?
O4 Dy1 N1 114.26(6) . 2_666 ?
O1 Dy1 N1 67.59(5) 2_666 2_666 ?
O1 Dy1 N1 127.56(4) . 2_666 ?
O5 Dy1 Dy1 92.85(4) . 2_666 ?
O3 Dy1 Dy1 81.57(4) . 2_666 ?
O2 Dy1 Dy1 134.62(4) . 2_666 ?
O4 Dy1 Dy1 141.06(4) . 2_666 ?
O1 Dy1 Dy1 36.13(3) 2_666 2_666 ?
O1 Dy1 Dy1 35.41(3) . 2_666 ?
N1 Dy1 Dy1 98.40(4) 2_666 2_666 ?
C1 O1 Dy1 121.84(12) . 2_666 ?
C1 O1 Dy1 124.28(10) . . ?
Dy1 O1 Dy1 108.46(5) 2_666 . ?
C9 N1 C6 118.42(19) . . ?
C9 N1 Dy1 126.96(15) . 2_666 ?
C6 N1 Dy1 114.46(14) . 2_666 ?
O1 C1 C2 123.5(2) . . ?
O1 C1 C6 118.17(18) . . ?
C2 C1 C6 118.3(2) . . ?
C1 C2 C3 121.8(3) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 H2 119.1 . . ?
C4 C3 C2 120.4(3) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 120.2(3) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C4 C5 C7 124.1(3) . . ?
C4 C5 C6 119.6(3) . . ?
C7 C5 C6 116.3(3) . . ?
N1 C6 C5 123.2(2) . . ?
N1 C6 C1 117.05(18) . . ?
C5 C6 C1 119.8(2) . . ?
C8 C7 C5 120.6(3) . . ?
C8 C7 H7 119.7 . . ?
C5 C7 H7 119.7 . . ?
C7 C8 C9 119.8(3) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
N1 C9 C8 121.7(3) . . ?
N1 C9 C10 118.2(2) . . ?
C8 C9 C10 120.1(3) . . ?
C9 C10 H10A 110.5 . . ?
C9 C10 H10B 108.7 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.2 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C16 121.4(2) . . ?
C12 C11 H11 119.3 . . ?
C16 C11 H11 119.3 . . ?
C13 C12 C11 120.1(3) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C14 121.2(3) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 H13 119.4 . . ?
C13 C14 C15 118.9(3) . . ?
C13 C14 H14 120.5 . . ?
C15 C14 H14 120.5 . . ?
C16 C15 C14 119.8(3) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C11 C16 C15 118.6(2) . . ?
C11 C16 C17 119.53(18) . . ?
C15 C16 C17 121.8(3) . . ?
O2 C17 C18 124.72(19) . . ?
O2 C17 C16 116.0(2) . . ?
C18 C17 C16 119.24(15) . . ?
C17 C18 C19 122.97(14) . . ?
C17 C18 H18 118.5 . . ?
C19 C18 H18 118.5 . . ?
O3 C19 C18 123.7(2) . . ?
O3 C19 C20 116.05(18) . . ?
C18 C19 C20 120.26(13) . . ?
C21 C20 C25 117.3(2) . . ?
C21 C20 C19 124.8(2) . . ?
C25 C20 C19 117.88(14) . . ?
C20 C21 C22 121.4(2) . . ?
C20 C21 H21 119.3 . . ?
C22 C21 H21 119.3 . . ?
C23 C22 C21 120.61(19) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 118.8(3) . . ?
C22 C23 H23 120.6 . . ?
C24 C23 H23 120.6 . . ?
C23 C24 C25 121.3(3) . . ?
C23 C24 H24 119.4 . . ?
C25 C24 H24 119.4 . . ?
C24 C25 C20 120.57(17) . . ?
C24 C25 H25 119.7 . . ?
C20 C25 H25 119.7 . . ?
C31 C26 C27 123.0(3) . . ?
C31 C26 H26 118.5 . . ?
C27 C26 H26 118.5 . . ?
C26 C27 C28 118.8(4) . . ?
C26 C27 H27 120.6 . . ?
C28 C27 H27 120.6 . . ?
C29 C28 C27 119.5(3) . . ?
C29 C28 H28 120.3 . . ?
C27 C28 H28 120.3 . . ?
C28 C29 C30 121.5(3) . . ?
C28 C29 H29 119.3 . . ?
C30 C29 H29 119.3 . . ?
C31 C30 C29 119.3(3) . . ?
C31 C30 H30 120.3 . . ?
C29 C30 H30 120.3 . . ?
C26 C31 C30 117.75(18) . . ?
C26 C31 C32 119.6(2) . . ?
C30 C31 C32 122.64(19) . . ?
O5 C32 C33 123.37(14) . . ?
O5 C32 C31 114.87(16) . . ?
C33 C32 C31 121.8(2) . . ?
C32 C33 C34 125.1(2) . . ?
C32 C33 H33 117.5 . . ?
C34 C33 H33 117.5 . . ?
O4 C34 C33 122.34(17) . . ?
O4 C34 C35 115.34(14) . . ?
C33 C34 C35 122.3(2) . . ?
C40 C35 C36 116.9(2) . . ?
C40 C35 C34 119.9(2) . . ?
C36 C35 C34 123.15(16) . . ?
C35 C36 C37 120.5(2) . . ?
C35 C36 H36 119.7 . . ?
C37 C36 H36 119.7 . . ?
C38 C37 C36 121.3(3) . . ?
C38 C37 H37 119.4 . . ?
C36 C37 H37 119.4 . . ?
C37 C38 C39 118.0(3) . . ?
C37 C38 H38 121.0 . . ?
C39 C38 H38 121.0 . . ?
C38 C39 C40 121.3(2) . . ?
C38 C39 H39 119.3 . . ?
C40 C39 H39 119.3 . . ?
C35 C40 C39 121.9(3) . . ?
C35 C40 H40 119.0 . . ?
C39 C40 H40 119.0 . . ?
C42 C41 C41 116.8(7) . 2_556 ?
C42 C41 H41A 108.1 . . ?
C41 C41 H41A 108.1 2_556 . ?
C42 C41 H41B 108.1 . . ?
C41 C41 H41B 108.1 2_556 . ?
H41A C41 H41B 107.3 . . ?
C43 C42 C41 121.0(7) . . ?
C43 C42 H42A 117.0 . . ?
C41 C42 H42A 117.9 . . ?
C43 C42 H42B 97.0 . . ?
C41 C42 H42B 85.0 . . ?
H42A C42 H42B 108.6 . . ?
C43 C42' C41' 119.9(8) . . ?
C43 C42' H42C 107.3 . . ?
C41' C42' H42C 107.3 . . ?
C43 C42' H42D 107.4 . . ?
C41' C42' H42D 107.4 . . ?
H42C C42' H42D 106.9 . . ?
C42' C41' C41' 136.8(12) . 2_556 ?
C42' C41' H41E 102.9 . . ?
C41' C41' H41E 102.9 2_556 . ?
C42' C41' H41F 103.0 . . ?
C41' C41' H41F 102.9 2_556 . ?
H41E C41' H41F 105.1 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C17 O2 Dy1 129.76(15) . . ?
C19 O3 Dy1 134.77(15) . . ?
C34 O4 Dy1 137.94(9) . . ?
C32 O5 Dy1 137.35(10) . . ?

_refine_diff_density_max         2.437
_refine_diff_density_min         -1.721
_refine_diff_density_rms         0.129

####################################################################### 
# 
# 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 1429733'
_audit_update_record             
;
2015-12-16 deposited with the CCDC.
2016-01-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C64 H92 Dy2 N2 O10'
_chemical_formula_sum            'C64 H92 Dy2 N2 O10'
_chemical_formula_weight         1374.40

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'
O O 0.0106 0.0060 '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'
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                   20.2210(5)
_cell_length_b                   16.0209(4)
_cell_length_c                   21.3696(5)
_cell_angle_alpha                90
_cell_angle_beta                 90.168(2)
_cell_angle_gamma                90
_cell_volume                     6922.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    20535
_cell_measurement_theta_min      3.2381
_cell_measurement_theta_max      28.0294

_exptl_crystal_description       block
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_F_000             2812
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    2.193
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            57671
_diffrn_reflns_av_unetI/netI     0.0473
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.245
_diffrn_reflns_theta_max         28.091
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.918
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.918
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             15487
_reflns_number_gt                11236
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
# sadi c29 c30 c31 c30 c31 c29
# sadi c29' c30' c31' c30' c31' c29'
# sadi c41 c42 c43 c42 c43 c41
# sadi c41' c42' c43' c42' c43' c41'
# sadi c57 c56 c57 c58 c58 c56
# sadi c57' c56' c57' c58' c58' c56'

# damp 5000
# eadp c29 c29'
# eadp c30 c30'
# eadp c31 c31'
# eadp c41 c41'
# eadp c42 c42'
# eadp c43 c43'
# eadp c56 c56'
# eadp c57 c57'
# eadp c58 c58'
# eadp c32 c32'
# eadp c53 c53'
# eadp c54 c54'
# eadp c33 c33'
# eadp c34 c34'


# dfix c35 c32' c35 c32 c35 c34 c35 c34' c35 c36 c35 c36' 1.45
# dfix c39 c38 c39 c41 c39 c41' c39 c42 c39 c42' c39 c43 c39 c43' 1.45
# dfix c52 c50 c52 c53 c52 c53' c52 c54 c52 c54' c52 c55 c52 c55' 1.45
# dfix c59 c60 c59 c56' c59 c56 c59 c57  c59 c57' c59 c58 c59 c58' 1.45
# dfix c28 c27 c28 c29 c29' c28 c28 c30 c28 c30' c28 c31 c28 c31' 1.45
# dfix c63 c62 c63 c64 c63 c65 c63 c66 c63 c66' 1.45
# isor c21 c23 c29 c30 c29' c30' c31 c31' c32 c32' 0.008
# isor c33 c33' c34 c34' c64 c64' c65 0.008
# isor c41 c41' c42 c42' c43 c43' c53 c53' c54 c54' 0.008
# isor c55 c55' c56 c56' c57 c57' c58 0.008

# delu c21 c23 c29 c30 c29' c30' c31 c31' 0.01
# delu 0.01 c32 c32' c33 c33' c34 c34' c64 c64' c65
# delu c41 c41' c42 c42' c43 c43' c53 c53' 0.01
# delu 0.01 c54 c54' c55 c55' c56 c56' c57 c57' c58

# free h21c h23a
# free h64a h66a

;
 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       'CrysAlis PRO (Agilent, 2011)'
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_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)+(0.0303P)²+15.4569P]
 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         15487
_refine_ls_number_parameters     761
_refine_ls_number_restraints     254
_refine_ls_R_factor_all          0.0796
_refine_ls_R_factor_gt           0.0471
_refine_ls_wR_factor_ref         0.1094
_refine_ls_wR_factor_gt          0.0920
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_restrained_S_all      1.116
_refine_ls_shift/su_max          0.178
_refine_ls_shift/su_mean         0.002

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 0.29103(2) 0.38532(2) 0.11365(2) 0.04370(3) Uani 1 1 d . . . . .
Dy2 Dy 0.23288(2) 0.58720(2) 0.18677(2) 0.04561(3) Uani 1 1 d . . . . .
O1 O 0.29519(7) 0.46930(8) 0.20272(6) 0.0486(4) Uani 1 1 d . . . . .
O8 O 0.16821(7) 0.58621(10) 0.27302(7) 0.0580(5) Uani 1 1 d . . . . .
O3 O 0.21742(7) 0.31290(10) 0.05563(6) 0.0598(5) Uani 1 1 d . . . . .
O10 O 0.31497(7) 0.67050(9) 0.15133(7) 0.0607(5) Uani 1 1 d . . . . .
O5 O 0.34104(7) 0.25837(9) 0.12537(8) 0.0638(5) Uani 1 1 d . . . . .
O6 O 0.40128(7) 0.40714(9) 0.11757(7) 0.0578(5) Uani 1 1 d . . . . .
O7 O 0.13262(7) 0.53689(11) 0.15720(7) 0.0653(5) Uani 1 1 d . . . . .
O4 O 0.21821(7) 0.32728(10) 0.18116(6) 0.0602(5) Uani 1 1 d . . . . .
O9 O 0.18768(8) 0.71505(10) 0.16633(8) 0.0701(5) Uani 1 1 d . . . . .
O2 O 0.25214(7) 0.51776(9) 0.09253(6) 0.0485(4) Uani 1 1 d . . . . .
N2 N 0.30514(8) 0.42775(11) -0.00114(7) 0.0496(5) Uani 1 1 d . . . . .
N1 N 0.30557(8) 0.59493(11) 0.28446(8) 0.0538(5) Uani 1 1 d . . . . .
C1 C 0.28026(15) 0.73988(17) 0.30462(14) 0.0951(10) Uani 1 1 d . . . . .
H1A H 0.2633 0.7351 0.2628 0.114 Uiso 1 1 calc R U . . .
H1B H 0.3139 0.7822 0.3059 0.114 Uiso 1 1 calc R U . . .
H1C H 0.2450 0.7548 0.3325 0.114 Uiso 1 1 calc R U . . .
C2 C 0.30916(12) 0.65825(17) 0.32442(12) 0.0717(8) Uani 1 1 d . . . . .
C3 C 0.33831(14) 0.6468(2) 0.38406(12) 0.0967(10) Uani 1 1 d . . . . .
H3A H 0.3395 0.6911 0.4121 0.116 Uiso 1 1 calc R U . . .
C4 C 0.36434(15) 0.5728(2) 0.40094(13) 0.1002(12) Uani 1 1 d . . . . .
H4A H 0.3841 0.5668 0.4400 0.120 Uiso 1 1 calc R U . . .
C5 C 0.36185(12) 0.50540(18) 0.36024(11) 0.0744(9) Uani 1 1 d . . . . .
C6 C 0.38759(15) 0.4258(2) 0.37308(12) 0.0960(11) Uani 1 1 d . . . . .
H6A H 0.4076 0.4154 0.4115 0.115 Uiso 1 1 calc R U . . .
C7 C 0.38348(15) 0.3641(2) 0.33003(13) 0.0913(10) Uani 1 1 d . . . . .
H7A H 0.4019 0.3123 0.3389 0.110 Uiso 1 1 calc R U . . .
C8 C 0.35202(13) 0.37700(16) 0.27244(11) 0.0708(8) Uani 1 1 d . . . . .
H8A H 0.3489 0.3331 0.2441 0.085 Uiso 1 1 calc R U . . .
C9 C 0.32572(10) 0.45339(14) 0.25708(9) 0.0516(6) Uani 1 1 d . . . . .
C10 C 0.33122(10) 0.51942(15) 0.30132(9) 0.0531(7) Uani 1 1 d . . . . .
C11 C 0.37503(14) 0.31089(18) -0.02854(13) 0.0922(10) Uani 1 1 d . . . . .
H11A H 0.3786 0.3082 0.0162 0.111 Uiso 1 1 calc R U . . .
H11B H 0.4181 0.3190 -0.0462 0.111 Uiso 1 1 calc R U . . .
H11C H 0.3565 0.2597 -0.0441 0.111 Uiso 1 1 calc R U . . .
C12 C 0.33127(12) 0.38198(16) -0.04652(11) 0.0655(8) Uani 1 1 d . . . . .
C13 C 0.31750(14) 0.40043(18) -0.11000(11) 0.0838(10) Uani 1 1 d . . . . .
H13A H 0.3356 0.3673 -0.1413 0.101 Uiso 1 1 calc R U . . .
C14 C 0.27902(14) 0.46460(18) -0.12549(11) 0.0835(9) Uani 1 1 d . . . . .
H14A H 0.2704 0.4757 -0.1674 0.100 Uiso 1 1 calc R U . . .
C15 C 0.25146(12) 0.51534(16) -0.07940(10) 0.0644(7) Uani 1 1 d . . . . .
C16 C 0.21097(14) 0.58446(19) -0.09136(12) 0.0873(10) Uani 1 1 d . . . . .
H16A H 0.2010 0.5991 -0.1324 0.105 Uiso 1 1 calc R U . . .
C17 C 0.18622(15) 0.63000(19) -0.04359(13) 0.0918(10) Uani 1 1 d . . . . .
H17A H 0.1597 0.6760 -0.0522 0.110 Uiso 1 1 calc R U . . .
C18 C 0.20002(13) 0.60878(16) 0.01927(11) 0.0750(9) Uani 1 1 d . . . . .
H18A H 0.1826 0.6411 0.0514 0.090 Uiso 1 1 calc R U . . .
C19 C 0.23861(11) 0.54152(14) 0.03345(9) 0.0516(6) Uani 1 1 d . . . . .
C20 C 0.26561(10) 0.49385(13) -0.01640(9) 0.0477(6) Uani 1 1 d . . . . .
C22 C 0.20385(18) 0.1760(2) -0.02928(16) 0.1409(15) Uani 1 1 d . . . . .
H22A H 0.2218 0.1303 -0.0056 0.169 Uiso 1 1 calc R U . . .
H22B H 0.2376 0.2171 -0.0359 0.169 Uiso 1 1 calc R U . . .
H22C H 0.1881 0.1559 -0.0690 0.169 Uiso 1 1 calc R U . . .
C24 C 0.14784(13) 0.21424(17) 0.00597(11) 0.0746(8) Uani 1 1 d . . . . .
C25 C 0.17498(11) 0.25600(14) 0.06505(9) 0.0565(7) Uani 1 1 d . . . . .
C26 C 0.15471(12) 0.23193(15) 0.12429(10) 0.0667(8) Uani 1 1 d . . . . .
H26A H 0.1253 0.1875 0.1274 0.080 Uiso 1 1 calc R U . . .
C27 C 0.17589(11) 0.27044(15) 0.17999(10) 0.0606(7) Uani 1 1 d D . . . .
C28 C 0.14898(12) 0.24343(16) 0.24363(10) 0.0774(9) Uani 1 1 d D . . . .
C35 C 0.40320(13) 0.13510(15) 0.13909(14) 0.0888(11) Uani 1 1 d D . . . .
C36 C 0.39869(12) 0.22949(14) 0.13352(12) 0.0661(8) Uani 1 1 d D . . . .
C37 C 0.45408(12) 0.28003(15) 0.13658(12) 0.0701(8) Uani 1 1 d . . . . .
H37A H 0.4946 0.2543 0.1438 0.084 Uiso 1 1 calc R U . . .
C38 C 0.45367(11) 0.36706(14) 0.12967(11) 0.0561(7) Uani 1 1 d D . . . .
C39 C 0.51600(11) 0.41875(15) 0.13583(12) 0.0750(9) Uani 1 1 d D . . . .
C44 C 0.15150(15) 0.5467(3) 0.39561(13) 0.1237(15) Uani 1 1 d . . . . .
H44A H 0.1908 0.5761 0.3835 0.148 Uiso 1 1 calc R U . . .
H44B H 0.1574 0.4880 0.3884 0.148 Uiso 1 1 calc R U . . .
H44C H 0.1431 0.5562 0.4392 0.148 Uiso 1 1 calc R U . . .
C45 C 0.08427(18) 0.6706(2) 0.36854(14) 0.1150(13) Uani 1 1 d . . . . .
H45A H 0.0477 0.6910 0.3443 0.138 Uiso 1 1 calc R U . . .
H45B H 0.1238 0.6995 0.3566 0.138 Uiso 1 1 calc R U . . .
H45C H 0.0759 0.6799 0.4122 0.138 Uiso 1 1 calc R U . . .
C46 C 0.03102(14) 0.5325(2) 0.37707(13) 0.1053(12) Uani 1 1 d . . . . .
H46A H -0.0062 0.5529 0.3536 0.126 Uiso 1 1 calc R U . . .
H46B H 0.0237 0.5419 0.4209 0.126 Uiso 1 1 calc R U . . .
H46C H 0.0364 0.4738 0.3696 0.126 Uiso 1 1 calc R U . . .
C47 C 0.09279(11) 0.57825(17) 0.35689(10) 0.0631(8) Uani 1 1 d . . . . .
C48 C 0.11025(10) 0.56699(14) 0.28765(10) 0.0504(6) Uani 1 1 d . . . . .
C49 C 0.06393(11) 0.53807(17) 0.24440(10) 0.0640(8) Uani 1 1 d . . . . .
H49A H 0.0216 0.5262 0.2588 0.077 Uiso 1 1 calc R U . . .
C50 C 0.07660(10) 0.52578(14) 0.18137(10) 0.0547(7) Uani 1 1 d D . . . .
C52 C 0.02267(11) 0.49627(16) 0.13615(10) 0.0709(8) Uani 1 1 d D . . . .
C59 C 0.15156(15) 0.85034(17) 0.14055(14) 0.1079(12) Uani 1 1 d D . . . .
C60 C 0.20616(13) 0.78424(15) 0.14458(13) 0.0746(9) Uani 1 1 d D . . . .
C61 C 0.27201(15) 0.79983(16) 0.12647(13) 0.0851(10) Uani 1 1 d . . . . .
H61A H 0.2819 0.8526 0.1108 0.102 Uiso 1 1 calc R U . . .
C62 C 0.32272(12) 0.74293(14) 0.13020(11) 0.0640(8) Uani 1 1 d D . . . .
C63 C 0.39138(14) 0.76356(17) 0.10687(14) 0.0952(11) Uani 1 1 d D . . . .
C65 C 0.4025(2) 0.7100(3) 0.04934(19) 0.176(2) Uani 1 1 d D U . . .
H65A H 0.4461 0.7200 0.0333 0.211 Uiso 1 1 calc R U . . .
H65B H 0.3703 0.7239 0.0179 0.211 Uiso 1 1 calc R U . . .
H65C H 0.3981 0.6522 0.0604 0.211 Uiso 1 1 calc R U . . .
C21 C 0.12169(19) 0.2835(2) -0.03594(14) 0.1435(15) Uani 1 1 d . U . . .
H21A H 0.1041 0.2597 -0.0737 0.172 Uiso 1 1 calc R U . . .
H21B H 0.1570 0.3210 -0.0461 0.172 Uiso 1 1 calc R U . . .
H21C H 0.0875 0.3134 -0.0145 0.172 Uiso 1 1 calc R U . . .
C23 C 0.09471(19) 0.1534(3) 0.01728(17) 0.1640(15) Uani 1 1 d . U . . .
H23D H 0.1136 0.0993 0.0244 0.197 Uiso 1 1 calc R U . . .
H23E H 0.0660 0.1512 -0.0186 0.197 Uiso 1 1 calc R U . . .
H23F H 0.0698 0.1701 0.0533 0.197 Uiso 1 1 calc R U . . .
C29 C 0.0807(2) 0.2031(3) 0.2397(2) 0.1198(17) Uani 0.6208(15) 1 d D U P A 1
H29A H 0.0474 0.2458 0.2387 0.144 Uiso 0.6208(15) 1 calc R U P A 1
H29B H 0.0740 0.1681 0.2756 0.144 Uiso 0.6208(15) 1 calc R U P A 1
H29C H 0.0778 0.1700 0.2023 0.144 Uiso 0.6208(15) 1 calc R U P A 1
C30 C 0.1958(2) 0.1938(3) 0.2768(2) 0.1114(15) Uani 0.6208(15) 1 d D U P A 1
H30A H 0.2257 0.2296 0.2993 0.134 Uiso 0.6208(15) 1 calc R U P A 1
H30B H 0.2202 0.1602 0.2477 0.134 Uiso 0.6208(15) 1 calc R U P A 1
H30C H 0.1730 0.1583 0.3058 0.134 Uiso 0.6208(15) 1 calc R U P A 1
C31 C 0.1360(2) 0.3259(3) 0.2818(2) 0.1034(15) Uani 0.6208(15) 1 d D U P A 1
H31A H 0.1455 0.3734 0.2559 0.124 Uiso 0.6208(15) 1 calc R U P A 1
H31B H 0.1641 0.3269 0.3181 0.124 Uiso 0.6208(15) 1 calc R U P A 1
H31C H 0.0906 0.3277 0.2946 0.124 Uiso 0.6208(15) 1 calc R U P A 1
C56 C 0.1033(2) 0.8181(3) 0.0912(2) 0.146(2) Uani 0.6208(15) 1 d D U P A 1
H56A H 0.1219 0.8259 0.0503 0.175 Uiso 0.6208(15) 1 calc R U P A 1
H56B H 0.0624 0.8482 0.0941 0.175 Uiso 0.6208(15) 1 calc R U P A 1
H56C H 0.0953 0.7597 0.0980 0.175 Uiso 0.6208(15) 1 calc R U P A 1
C57 C 0.1766(3) 0.9344(3) 0.1160(2) 0.152(2) Uani 0.6208(15) 1 d D U P A 1
H57A H 0.2226 0.9298 0.1055 0.182 Uiso 0.6208(15) 1 calc R U P A 1
H57B H 0.1711 0.9763 0.1477 0.182 Uiso 0.6208(15) 1 calc R U P A 1
H57C H 0.1519 0.9499 0.0794 0.182 Uiso 0.6208(15) 1 calc R U P A 1
C58 C 0.1198(3) 0.8592(4) 0.2006(2) 0.165(2) Uani 0.6208(15) 1 d D U P A 1
H58A H 0.1455 0.8959 0.2266 0.198 Uiso 0.6208(15) 1 calc R U P A 1
H58B H 0.1165 0.8055 0.2203 0.198 Uiso 0.6208(15) 1 calc R U P A 1
H58C H 0.0763 0.8821 0.1948 0.198 Uiso 0.6208(15) 1 calc R U P A 1
C41 C 0.5209(2) 0.4680(3) 0.07344(19) 0.1046(16) Uani 0.6208(15) 1 d D U P A 1
H41A H 0.4806 0.4613 0.0501 0.125 Uiso 0.6208(15) 1 calc R U P A 1
H41B H 0.5573 0.4470 0.0494 0.125 Uiso 0.6208(15) 1 calc R U P A 1
H41C H 0.5278 0.5261 0.0823 0.125 Uiso 0.6208(15) 1 calc R U P A 1
C42 C 0.5773(2) 0.3688(3) 0.1424(2) 0.1126(17) Uani 0.6208(15) 1 d D U P A 1
H42A H 0.5924 0.3521 0.1017 0.135 Uiso 0.6208(15) 1 calc R U P A 1
H42B H 0.5685 0.3201 0.1672 0.135 Uiso 0.6208(15) 1 calc R U P A 1
H42C H 0.6108 0.4018 0.1625 0.135 Uiso 0.6208(15) 1 calc R U P A 1
C43 C 0.5051(2) 0.4789(3) 0.18710(19) 0.1146(16) Uani 0.6208(15) 1 d D U P A 1
H43A H 0.4773 0.5235 0.1725 0.138 Uiso 0.6208(15) 1 calc R U P A 1
H43B H 0.5468 0.5012 0.2006 0.138 Uiso 0.6208(15) 1 calc R U P A 1
H43C H 0.4840 0.4511 0.2215 0.138 Uiso 0.6208(15) 1 calc R U P A 1
C54 C 0.0389(4) 0.4126(4) 0.1115(4) 0.1006(12) Uani 0.356(4) 1 d D U P B 1
H54D H 0.0762 0.4166 0.0840 0.121 Uiso 0.356(4) 1 calc R U P B 1
H54E H 0.0016 0.3909 0.0889 0.121 Uiso 0.356(4) 1 calc R U P B 1
H54F H 0.0494 0.3760 0.1457 0.121 Uiso 0.356(4) 1 calc R U P B 1
C32 C 0.4261(4) 0.1052(4) 0.0760(3) 0.133(2) Uani 0.456(3) 1 d D U P C 1
H32A H 0.3924 0.1162 0.0453 0.160 Uiso 0.456(3) 1 calc R U P C 1
H32B H 0.4346 0.0463 0.0777 0.160 Uiso 0.456(3) 1 calc R U P C 1
H32C H 0.4659 0.1341 0.0646 0.160 Uiso 0.456(3) 1 calc R U P C 1
C33 C 0.3431(4) 0.0972(4) 0.1609(4) 0.1212(19) Uani 0.456(3) 1 d . U P C 1
H33A H 0.3068 0.1158 0.1355 0.145 Uiso 0.456(3) 1 calc R U P C 1
H33B H 0.3357 0.1129 0.2036 0.145 Uiso 0.456(3) 1 calc R U P C 1
H33C H 0.3469 0.0376 0.1580 0.145 Uiso 0.456(3) 1 calc R U P C 1
C34 C 0.4609(3) 0.1127(4) 0.1829(3) 0.1252(19) Uani 0.456(3) 1 d D U P C 1
H34A H 0.4686 0.1580 0.2115 0.150 Uiso 0.456(3) 1 calc R U P C 1
H34B H 0.5000 0.1029 0.1586 0.150 Uiso 0.456(3) 1 calc R U P C 1
H34C H 0.4500 0.0632 0.2061 0.150 Uiso 0.456(3) 1 calc R U P C 1
C53 C -0.0457(3) 0.5056(6) 0.1585(4) 0.1070(16) Uani 0.356(4) 1 d D U P B 1
H53A H -0.0546 0.5635 0.1663 0.128 Uiso 0.356(4) 1 calc R U P B 1
H53B H -0.0512 0.4744 0.1964 0.128 Uiso 0.356(4) 1 calc R U P B 1
H53C H -0.0757 0.4851 0.1272 0.128 Uiso 0.356(4) 1 calc R U P B 1
C55 C 0.0411(9) 0.5147(13) 0.0709(4) 0.118(2) Uani 0.149(4) 1 d D U P B 1
H55A H 0.0663 0.5634 0.0601 0.142 Uiso 0.149(4) 1 d R U P B 1
H55B H 0.0286 0.5175 0.1141 0.142 Uiso 0.149(4) 1 d R U P B 1
H55C H 0.0020 0.5123 0.0453 0.142 Uiso 0.149(4) 1 d R U P B 1
C29' C 0.2027(3) 0.2589(4) 0.2911(3) 0.1198(17) Uani 0.3792(15) 1 d D U P A 2
H29D H 0.2083 0.3179 0.2969 0.144 Uiso 0.3792(15) 1 calc R U P A 2
H29E H 0.2434 0.2350 0.2765 0.144 Uiso 0.3792(15) 1 calc R U P A 2
H29F H 0.1907 0.2336 0.3302 0.144 Uiso 0.3792(15) 1 calc R U P A 2
C30' C 0.0874(3) 0.2738(4) 0.2564(3) 0.1114(15) Uani 0.3792(15) 1 d D U P A 2
H30D H 0.0887 0.3337 0.2573 0.134 Uiso 0.3792(15) 1 calc R U P A 2
H30E H 0.0730 0.2533 0.2963 0.134 Uiso 0.3792(15) 1 calc R U P A 2
H30F H 0.0570 0.2557 0.2246 0.134 Uiso 0.3792(15) 1 calc R U P A 2
C31' C 0.1471(3) 0.1437(3) 0.2423(3) 0.1034(15) Uani 0.3792(15) 1 d D U P A 2
H31D H 0.1615 0.1242 0.2022 0.124 Uiso 0.3792(15) 1 calc R U P A 2
H31E H 0.1027 0.1249 0.2498 0.124 Uiso 0.3792(15) 1 calc R U P A 2
H31F H 0.1758 0.1221 0.2743 0.124 Uiso 0.3792(15) 1 calc R U P A 2
C41' C 0.5045(4) 0.5090(3) 0.1371(3) 0.1046(16) Uani 0.3792(15) 1 d D U P A 2
H41D H 0.4828 0.5259 0.0992 0.125 Uiso 0.3792(15) 1 calc R U P A 2
H41E H 0.5461 0.5376 0.1408 0.125 Uiso 0.3792(15) 1 calc R U P A 2
H41F H 0.4772 0.5228 0.1723 0.125 Uiso 0.3792(15) 1 calc R U P A 2
C42' C 0.5615(3) 0.3961(4) 0.0847(3) 0.1126(17) Uani 0.3792(15) 1 d D U P A 2
H42D H 0.5415 0.4099 0.0452 0.135 Uiso 0.3792(15) 1 calc R U P A 2
H42E H 0.5704 0.3373 0.0862 0.135 Uiso 0.3792(15) 1 calc R U P A 2
H42F H 0.6021 0.4265 0.0893 0.135 Uiso 0.3792(15) 1 calc R U P A 2
C43' C 0.5511(4) 0.3959(4) 0.1970(2) 0.1146(16) Uani 0.3792(15) 1 d D U P A 2
H43D H 0.5225 0.3618 0.2220 0.138 Uiso 0.3792(15) 1 calc R U P A 2
H43E H 0.5619 0.4459 0.2195 0.138 Uiso 0.3792(15) 1 calc R U P A 2
H43F H 0.5909 0.3657 0.1878 0.138 Uiso 0.3792(15) 1 calc R U P A 2
C56' C 0.0867(3) 0.8143(5) 0.1629(3) 0.146(2) Uani 0.3792(15) 1 d D U P A 2
H56D H 0.0929 0.7569 0.1744 0.175 Uiso 0.3792(15) 1 calc R U P A 2
H56E H 0.0545 0.8177 0.1298 0.175 Uiso 0.3792(15) 1 calc R U P A 2
H56F H 0.0714 0.8453 0.1984 0.175 Uiso 0.3792(15) 1 calc R U P A 2
C57' C 0.1694(4) 0.9214(4) 0.1828(3) 0.152(2) Uani 0.3792(15) 1 d D U P A 2
H57D H 0.2098 0.9464 0.1688 0.182 Uiso 0.3792(15) 1 calc R U P A 2
H57E H 0.1750 0.9011 0.2247 0.182 Uiso 0.3792(15) 1 calc R U P A 2
H57F H 0.1347 0.9622 0.1819 0.182 Uiso 0.3792(15) 1 calc R U P A 2
C58' C 0.1452(4) 0.8790(5) 0.0756(2) 0.165(2) Uani 0.3792(15) 1 d D . P A 2
H58D H 0.1867 0.9017 0.0619 0.198 Uiso 0.3792(15) 1 calc R U P A 2
H58E H 0.1116 0.9212 0.0731 0.198 Uiso 0.3792(15) 1 calc R U P A 2
H58F H 0.1332 0.8327 0.0493 0.198 Uiso 0.3792(15) 1 calc R U P A 2
C32' C 0.3588(3) 0.0962(4) 0.0890(3) 0.133(2) Uani 0.544(3) 1 d D U P C 2
H32D H 0.3231 0.1336 0.0795 0.160 Uiso 0.544(3) 1 calc R U P C 2
H32E H 0.3412 0.0444 0.1043 0.160 Uiso 0.544(3) 1 calc R U P C 2
H32F H 0.3841 0.0861 0.0519 0.160 Uiso 0.544(3) 1 calc R U P C 2
C33' C 0.3692(3) 0.1133(4) 0.2036(3) 0.1212(19) Uani 0.544(3) 1 d . U P C 2
H33D H 0.3223 0.1212 0.2000 0.145 Uiso 0.544(3) 1 calc R U P C 2
H33E H 0.3864 0.1493 0.2357 0.145 Uiso 0.544(3) 1 calc R U P C 2
H33F H 0.3784 0.0563 0.2143 0.145 Uiso 0.544(3) 1 calc R U P C 2
C34' C 0.4694(3) 0.0982(4) 0.1415(4) 0.1252(19) Uani 0.544(3) 1 d D U P C 2
H34D H 0.4804 0.0760 0.1012 0.150 Uiso 0.544(3) 1 calc R U P C 2
H34E H 0.4701 0.0542 0.1720 0.150 Uiso 0.544(3) 1 calc R U P C 2
H34F H 0.5010 0.1403 0.1530 0.150 Uiso 0.544(3) 1 calc R U P C 2
C53' C -0.0329(2) 0.4489(3) 0.1692(2) 0.1070(16) Uani 0.644(4) 1 d D U P B 2
H53D H -0.0144 0.4042 0.1935 0.128 Uiso 0.644(4) 1 calc R U P B 2
H53E H -0.0629 0.4265 0.1386 0.128 Uiso 0.644(4) 1 calc R U P B 2
H53F H -0.0564 0.4864 0.1963 0.128 Uiso 0.644(4) 1 calc R U P B 2
C54' C 0.0536(2) 0.4385(3) 0.0880(2) 0.1006(12) Uani 0.644(4) 1 d D U P B 2
H54A H 0.0881 0.4724 0.0705 0.121 Uiso 0.644(4) 1 d R U P B 2
H54B H 0.0195 0.4304 0.0573 0.121 Uiso 0.644(4) 1 d R U P B 2
H54C H 0.0716 0.3854 0.1001 0.121 Uiso 0.644(4) 1 d R U P B 2
C55' C 0.0021(2) 0.5714(3) 0.09921(18) 0.1362(16) Uani 0.851(4) 1 d D U P B 2
H55D H 0.0404 0.5963 0.0803 0.163 Uiso 0.851(4) 1 calc R U P B 2
H55E H -0.0185 0.6112 0.1265 0.163 Uiso 0.851(4) 1 calc R U P B 2
H55F H -0.0286 0.5550 0.0672 0.163 Uiso 0.851(4) 1 calc R U P B 2
C64 C 0.44074(17) 0.7328(3) 0.1521(2) 0.171(2) Uani 1 1 d D U . . .
H64A H 0.4381 0.7650 0.1899 0.205 Uiso 1 1 calc R U . . .
H64B H 0.4842 0.7381 0.1345 0.205 Uiso 1 1 calc R U . . .
H64C H 0.4321 0.6752 0.1613 0.205 Uiso 1 1 calc R U . . .
C66 C 0.4023(2) 0.8517(2) 0.0907(3) 0.258(3) Uani 1 1 d D . . . .
H66D H 0.3939 0.8860 0.1267 0.310 Uiso 1 1 calc R U . . .
H66E H 0.3730 0.8675 0.0574 0.310 Uiso 1 1 calc R U . . .
H66F H 0.4473 0.8593 0.0775 0.310 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 O3 2.2556(15) . ?
Dy1 O6 2.2579(15) . ?
Dy1 O4 2.2643(15) . ?
Dy1 O5 2.2849(15) . ?
Dy1 O2 2.3070(14) . ?
Dy1 O1 2.3322(13) . ?
Dy1 N2 2.5621(16) . ?
Dy1 Dy2 3.78100(15) . ?
Dy2 O10 2.2621(15) . ?
Dy2 O8 2.2632(14) . ?
Dy2 O7 2.2697(15) . ?
Dy2 O9 2.2845(15) . ?
Dy2 O1 2.2955(14) . ?
Dy2 O2 2.3343(13) . ?
Dy2 N1 2.5526(17) . ?
O1 C9 1.338(2) . ?
O8 C48 1.252(2) . ?
O3 C25 1.269(3) . ?
O10 C62 1.255(3) . ?
O5 C36 1.266(3) . ?
O6 C38 1.265(3) . ?
O7 C50 1.259(3) . ?
O4 C27 1.250(3) . ?
O9 C60 1.259(3) . ?
O2 C19 1.346(2) . ?
N2 C12 1.327(3) . ?
N2 C20 1.366(3) . ?
N1 C2 1.328(3) . ?
N1 C10 1.364(3) . ?
C1 C2 1.493(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.415(4) . ?
C3 C4 1.346(5) . ?
C3 H3A 0.9300 . ?
C4 C5 1.387(4) . ?
C4 H4A 0.9300 . ?
C5 C6 1.404(4) . ?
C5 C10 1.419(3) . ?
C6 C7 1.353(4) . ?
C6 H6A 0.9300 . ?
C7 C8 1.399(4) . ?
C7 H7A 0.9300 . ?
C8 C9 1.374(3) . ?
C8 H8A 0.9300 . ?
C9 C10 1.423(3) . ?
C11 C12 1.492(4) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.415(3) . ?
C13 C14 1.331(4) . ?
C13 H13A 0.9300 . ?
C14 C15 1.395(3) . ?
C14 H14A 0.9300 . ?
C15 C16 1.400(4) . ?
C15 C20 1.418(3) . ?
C16 C17 1.352(4) . ?
C16 H16A 0.9300 . ?
C17 C18 1.413(4) . ?
C17 H17A 0.9300 . ?
C18 C19 1.364(3) . ?
C18 H18A 0.9300 . ?
C19 C20 1.421(3) . ?
C22 C24 1.494(4) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C24 C23 1.471(5) . ?
C24 C21 1.519(4) . ?
C24 C25 1.529(3) . ?
C25 C26 1.386(3) . ?
C26 C27 1.406(3) . ?
C26 H26A 0.9300 . ?
C27 C28 1.529(3) . ?
C28 C30' 1.366(6) . ?
C28 C30 1.423(5) . ?
C28 C29' 1.505(6) . ?
C28 C29 1.526(5) . ?
C28 C31 1.575(5) . ?
C28 C31' 1.599(5) . ?
C35 C33 1.436(8) . ?
C35 C34' 1.463(6) . ?
C35 C32 1.505(7) . ?
C35 C36 1.520(3) . ?
C35 C32' 1.528(7) . ?
C35 C34 1.536(7) . ?
C35 C33' 1.582(7) . ?
C36 C37 1.384(3) . ?
C37 C38 1.402(3) . ?
C37 H37A 0.9300 . ?
C38 C39 1.513(3) . ?
C39 C41' 1.465(5) . ?
C39 C42' 1.476(6) . ?
C39 C43 1.476(5) . ?
C39 C42 1.482(5) . ?
C39 C43' 1.530(6) . ?
C39 C41 1.552(5) . ?
C44 C47 1.531(4) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 C47 1.510(4) . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 C47 1.512(4) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 C48 1.533(3) . ?
C48 C49 1.393(3) . ?
C49 C50 1.386(3) . ?
C49 H49A 0.9300 . ?
C50 C52 1.530(3) . ?
C52 C53 1.470(6) . ?
C52 C55 1.475(10) . ?
C52 C54 1.477(7) . ?
C52 C55' 1.497(4) . ?
C52 C54' 1.520(5) . ?
C52 C53' 1.531(5) . ?
C52 H55B 0.5932 . ?
C59 C58 1.443(5) . ?
C59 C58' 1.467(6) . ?
C59 C57' 1.495(7) . ?
C59 C56' 1.512(7) . ?
C59 C56 1.525(5) . ?
C59 C60 1.532(4) . ?
C59 C57 1.533(5) . ?
C60 C61 1.410(4) . ?
C61 C62 1.374(4) . ?
C61 H61A 0.9300 . ?
C62 C63 1.513(4) . ?
C63 C66 1.471(5) . ?
C63 C64 1.472(5) . ?
C63 C65 1.516(5) . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C23 H23D 0.9600 . ?
C23 H23E 0.9600 . ?
C23 H23F 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C54 C55 1.85(2) . ?
C54 H54D 0.9600 . ?
C54 H54E 0.9600 . ?
C54 H54F 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C29' H29D 0.9600 . ?
C29' H29E 0.9600 . ?
C29' H29F 0.9600 . ?
C30' H30D 0.9600 . ?
C30' H30E 0.9600 . ?
C30' H30F 0.9600 . ?
C31' H31D 0.9600 . ?
C31' H31E 0.9600 . ?
C31' H31F 0.9600 . ?
C41' H41D 0.9600 . ?
C41' H41E 0.9600 . ?
C41' H41F 0.9600 . ?
C42' H42D 0.9600 . ?
C42' H42E 0.9600 . ?
C42' H42F 0.9600 . ?
C43' H43D 0.9600 . ?
C43' H43E 0.9600 . ?
C43' H43F 0.9600 . ?
C56' H56D 0.9600 . ?
C56' H56E 0.9600 . ?
C56' H56F 0.9600 . ?
C57' H57D 0.9600 . ?
C57' H57E 0.9600 . ?
C57' H57F 0.9600 . ?
C58' H58D 0.9600 . ?
C58' H58E 0.9600 . ?
C58' H58F 0.9600 . ?
C32' H32D 0.9600 . ?
C32' H32E 0.9600 . ?
C32' H32F 0.9600 . ?
C33' H33D 0.9600 . ?
C33' H33E 0.9600 . ?
C33' H33F 0.9600 . ?
C34' H34D 0.9600 . ?
C34' H34E 0.9600 . ?
C34' H34F 0.9600 . ?
C53' H53D 0.9600 . ?
C53' H53E 0.9600 . ?
C53' H53F 0.9600 . ?
C54' H54A 0.9600 . ?
C54' H54B 0.9600 . ?
C54' H54C 0.9600 . ?
C55' H55D 0.9600 . ?
C55' H55E 0.9600 . ?
C55' H55F 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C66 H66D 0.9600 . ?
C66 H66E 0.9600 . ?
C66 H66F 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
O3 Dy1 O6 138.58(5) . . ?
O3 Dy1 O4 73.13(5) . . ?
O6 Dy1 O4 133.14(5) . . ?
O3 Dy1 O5 83.89(6) . . ?
O6 Dy1 O5 72.37(5) . . ?
O4 Dy1 O5 81.55(6) . . ?
O3 Dy1 O2 98.14(5) . . ?
O6 Dy1 O2 101.58(5) . . ?
O4 Dy1 O2 106.28(5) . . ?
O5 Dy1 O2 172.17(5) . . ?
O3 Dy1 O1 140.13(5) . . ?
O6 Dy1 O1 81.20(5) . . ?
O4 Dy1 O1 74.86(5) . . ?
O5 Dy1 O1 114.15(5) . . ?
O2 Dy1 O1 68.93(4) . . ?
O3 Dy1 N2 71.66(5) . . ?
O6 Dy1 N2 83.21(5) . . ?
O4 Dy1 N2 142.51(5) . . ?
O5 Dy1 N2 106.90(6) . . ?
O2 Dy1 N2 66.90(5) . . ?
O1 Dy1 N2 128.64(5) . . ?
O3 Dy1 Dy2 117.49(4) . . ?
O6 Dy1 Dy2 99.23(4) . . ?
O4 Dy1 Dy2 83.35(4) . . ?
O5 Dy1 Dy2 148.67(4) . . ?
O2 Dy1 Dy2 35.69(3) . . ?
O1 Dy1 Dy2 34.89(3) . . ?
N2 Dy1 Dy2 101.79(4) . . ?
O10 Dy2 O8 134.67(5) . . ?
O10 Dy2 O7 140.54(6) . . ?
O8 Dy2 O7 72.93(5) . . ?
O10 Dy2 O9 72.57(5) . . ?
O8 Dy2 O9 86.00(6) . . ?
O7 Dy2 O9 84.76(6) . . ?
O10 Dy2 O1 97.59(5) . . ?
O8 Dy2 O1 101.05(5) . . ?
O7 Dy2 O1 103.81(6) . . ?
O9 Dy2 O1 170.15(5) . . ?
O10 Dy2 O2 82.41(5) . . ?
O8 Dy2 O2 142.90(5) . . ?
O7 Dy2 O2 75.04(5) . . ?
O9 Dy2 O2 109.27(5) . . ?
O1 Dy2 O2 69.08(4) . . ?
O10 Dy2 N1 79.85(6) . . ?
O8 Dy2 N1 70.55(5) . . ?
O7 Dy2 N1 139.17(5) . . ?
O9 Dy2 N1 109.99(6) . . ?
O1 Dy2 N1 66.67(5) . . ?
O2 Dy2 N1 129.16(5) . . ?
O10 Dy2 Dy1 97.87(4) . . ?
O8 Dy2 Dy1 120.78(4) . . ?
O7 Dy2 Dy1 81.94(4) . . ?
O9 Dy2 Dy1 144.36(4) . . ?
O1 Dy2 Dy1 35.53(3) . . ?
O2 Dy2 Dy1 35.21(3) . . ?
N1 Dy2 Dy1 101.56(4) . . ?
C9 O1 Dy2 122.49(12) . . ?
C9 O1 Dy1 127.88(13) . . ?
Dy2 O1 Dy1 109.57(5) . . ?
C48 O8 Dy2 138.45(13) . . ?
C25 O3 Dy1 136.72(13) . . ?
C62 O10 Dy2 139.33(15) . . ?
C36 O5 Dy1 138.39(14) . . ?
C38 O6 Dy1 139.05(14) . . ?
C50 O7 Dy2 137.74(14) . . ?
C27 O4 Dy1 137.13(13) . . ?
C60 O9 Dy2 137.81(16) . . ?
C19 O2 Dy1 120.78(12) . . ?
C19 O2 Dy2 129.82(13) . . ?
Dy1 O2 Dy2 109.10(5) . . ?
C12 N2 C20 119.21(18) . . ?
C12 N2 Dy1 126.79(15) . . ?
C20 N2 Dy1 111.57(12) . . ?
C2 N1 C10 119.18(19) . . ?
C2 N1 Dy2 126.39(15) . . ?
C10 N1 Dy2 112.99(13) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 C3 120.1(2) . . ?
N1 C2 C1 117.8(2) . . ?
C3 C2 C1 122.1(2) . . ?
C4 C3 C2 121.2(3) . . ?
C4 C3 H3A 119.4 . . ?
C2 C3 H3A 119.4 . . ?
C3 C4 C5 120.3(3) . . ?
C3 C4 H4A 119.9 . . ?
C5 C4 H4A 119.9 . . ?
C4 C5 C6 124.9(2) . . ?
C4 C5 C10 116.6(3) . . ?
C6 C5 C10 118.5(2) . . ?
C7 C6 C5 120.6(3) . . ?
C7 C6 H6A 119.7 . . ?
C5 C6 H6A 119.7 . . ?
C6 C7 C8 121.2(3) . . ?
C6 C7 H7A 119.4 . . ?
C8 C7 H7A 119.4 . . ?
C9 C8 C7 121.1(2) . . ?
C9 C8 H8A 119.5 . . ?
C7 C8 H8A 119.5 . . ?
O1 C9 C8 123.7(2) . . ?
O1 C9 C10 118.05(19) . . ?
C8 C9 C10 118.3(2) . . ?
N1 C10 C5 122.6(2) . . ?
N1 C10 C9 117.05(18) . . ?
C5 C10 C9 120.3(2) . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 C13 120.5(2) . . ?
N2 C12 C11 118.1(2) . . ?
C13 C12 C11 121.4(2) . . ?
C14 C13 C12 120.9(2) . . ?
C14 C13 H13A 119.6 . . ?
C12 C13 H13A 119.6 . . ?
C13 C14 C15 120.6(2) . . ?
C13 C14 H14A 119.7 . . ?
C15 C14 H14A 119.7 . . ?
C14 C15 C16 124.5(2) . . ?
C14 C15 C20 116.7(2) . . ?
C16 C15 C20 118.8(2) . . ?
C17 C16 C15 120.4(2) . . ?
C17 C16 H16A 119.8 . . ?
C15 C16 H16A 119.8 . . ?
C16 C17 C18 121.0(3) . . ?
C16 C17 H17A 119.5 . . ?
C18 C17 H17A 119.5 . . ?
C19 C18 C17 120.8(2) . . ?
C19 C18 H18A 119.6 . . ?
C17 C18 H18A 119.6 . . ?
O2 C19 C18 123.1(2) . . ?
O2 C19 C20 118.27(18) . . ?
C18 C19 C20 118.62(19) . . ?
N2 C20 C15 122.09(19) . . ?
N2 C20 C19 117.62(17) . . ?
C15 C20 C19 120.3(2) . . ?
C24 C22 H22A 109.5 . . ?
C24 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C24 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C23 C24 C22 111.5(3) . . ?
C23 C24 C21 109.1(3) . . ?
C22 C24 C21 105.4(2) . . ?
C23 C24 C25 114.5(2) . . ?
C22 C24 C25 109.0(2) . . ?
C21 C24 C25 106.9(2) . . ?
O3 C25 C26 123.1(2) . . ?
O3 C25 C24 115.13(18) . . ?
C26 C25 C24 121.7(2) . . ?
C25 C26 C27 124.1(2) . . ?
C25 C26 H26A 117.9 . . ?
C27 C26 H26A 117.9 . . ?
O4 C27 C26 122.9(2) . . ?
O4 C27 C28 115.71(19) . . ?
C26 C27 C28 121.4(2) . . ?
C30' C28 C29' 117.7(4) . . ?
C30 C28 C29 113.0(3) . . ?
C30' C28 C27 113.8(3) . . ?
C30 C28 C27 111.3(3) . . ?
C29' C28 C27 107.2(3) . . ?
C29 C28 C27 113.3(2) . . ?
C30 C28 C31 108.8(3) . . ?
C29 C28 C31 103.4(3) . . ?
C27 C28 C31 106.5(2) . . ?
C30' C28 C31' 109.7(4) . . ?
C29' C28 C31' 101.1(4) . . ?
C27 C28 C31' 106.0(3) . . ?
C33 C35 C32 114.7(5) . . ?
C33 C35 C36 113.3(3) . . ?
C34' C35 C36 117.3(3) . . ?
C32 C35 C36 105.4(3) . . ?
C34' C35 C32' 113.3(4) . . ?
C36 C35 C32' 108.4(3) . . ?
C33 C35 C34 110.2(5) . . ?
C32 C35 C34 103.7(4) . . ?
C36 C35 C34 109.0(3) . . ?
C34' C35 C33' 106.2(4) . . ?
C36 C35 C33' 105.2(3) . . ?
C32' C35 C33' 105.3(4) . . ?
O5 C36 C37 122.5(2) . . ?
O5 C36 C35 115.4(2) . . ?
C37 C36 C35 122.0(2) . . ?
C36 C37 C38 124.9(2) . . ?
C36 C37 H37A 117.5 . . ?
C38 C37 H37A 117.5 . . ?
O6 C38 C37 122.1(2) . . ?
O6 C38 C39 115.89(19) . . ?
C37 C38 C39 122.0(2) . . ?
C41' C39 C42' 110.8(4) . . ?
C43 C39 C42 114.1(3) . . ?
C41' C39 C38 114.2(3) . . ?
C42' C39 C38 108.8(3) . . ?
C43 C39 C38 107.2(3) . . ?
C42 C39 C38 114.1(2) . . ?
C41' C39 C43' 107.0(4) . . ?
C42' C39 C43' 106.6(4) . . ?
C38 C39 C43' 109.1(3) . . ?
C43 C39 C41 108.4(3) . . ?
C42 C39 C41 107.5(3) . . ?
C38 C39 C41 105.0(2) . . ?
C47 C44 H44A 109.5 . . ?
C47 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C47 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C47 C45 H45A 109.5 . . ?
C47 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C47 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 H46A 109.5 . . ?
C47 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C47 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 C46 109.4(2) . . ?
C45 C47 C44 108.8(3) . . ?
C46 C47 C44 109.0(2) . . ?
C45 C47 C48 107.5(2) . . ?
C46 C47 C48 114.3(2) . . ?
C44 C47 C48 107.6(2) . . ?
O8 C48 C49 122.96(19) . . ?
O8 C48 C47 115.49(18) . . ?
C49 C48 C47 121.54(19) . . ?
C50 C49 C48 124.5(2) . . ?
C50 C49 H49A 117.8 . . ?
C48 C49 H49A 117.8 . . ?
O7 C50 C49 123.2(2) . . ?
O7 C50 C52 115.16(18) . . ?
C49 C50 C52 121.63(19) . . ?
C53 C52 C55 121.7(8) . . ?
C53 C52 C54 114.7(5) . . ?
C55 C52 C54 77.8(9) . . ?
C55' C52 C54' 104.3(3) . . ?
C53 C52 C50 115.6(4) . . ?
C55 C52 C50 110.8(7) . . ?
C54 C52 C50 110.3(4) . . ?
C55' C52 C50 106.3(2) . . ?
C54' C52 C50 108.7(2) . . ?
C55' C52 C53' 116.0(3) . . ?
C54' C52 C53' 108.4(3) . . ?
C50 C52 C53' 112.6(2) . . ?
C53 C52 H55B 113.1 . . ?
C55 C52 H55B 23.4 . . ?
C54 C52 H55B 101.1 . . ?
C50 C52 H55B 100.2 . . ?
C58' C59 C57' 110.7(4) . . ?
C58' C59 C56' 110.1(4) . . ?
C57' C59 C56' 107.9(4) . . ?
C58 C59 C56 111.3(3) . . ?
C58 C59 C60 109.9(3) . . ?
C58' C59 C60 109.3(4) . . ?
C57' C59 C60 108.7(4) . . ?
C56' C59 C60 110.1(3) . . ?
C56 C59 C60 105.3(3) . . ?
C58 C59 C57 111.5(3) . . ?
C56 C59 C57 105.8(3) . . ?
C60 C59 C57 112.8(3) . . ?
O9 C60 C61 122.6(2) . . ?
O9 C60 C59 114.5(2) . . ?
C61 C60 C59 122.9(2) . . ?
C62 C61 C60 124.9(2) . . ?
C62 C61 H61A 117.6 . . ?
C60 C61 H61A 117.6 . . ?
O10 C62 C61 122.7(2) . . ?
O10 C62 C63 115.9(2) . . ?
C61 C62 C63 121.4(2) . . ?
C66 C63 C64 111.9(3) . . ?
C66 C63 C62 115.2(3) . . ?
C64 C63 C62 109.4(3) . . ?
C66 C63 C65 109.3(3) . . ?
C64 C63 C65 103.9(3) . . ?
C62 C63 C65 106.4(3) . . ?
C63 C65 H65A 109.5 . . ?
C63 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C63 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C24 C21 H21A 109.5 . . ?
C24 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C24 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C23 H23D 109.5 . . ?
C24 C23 H23E 109.5 . . ?
H23D C23 H23E 109.5 . . ?
C24 C23 H23F 109.5 . . ?
H23D C23 H23F 109.5 . . ?
H23E C23 H23F 109.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C59 C56 H56A 109.5 . . ?
C59 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C59 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C59 C57 H57A 109.5 . . ?
C59 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C59 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C59 C58 H58A 109.5 . . ?
C59 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C59 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C39 C43 H43A 109.5 . . ?
C39 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C39 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C52 C54 C55 51.1(5) . . ?
C52 C54 H54D 109.4 . . ?
C55 C54 H54D 68.5 . . ?
C52 C54 H54E 109.5 . . ?
C55 C54 H54E 95.9 . . ?
H54D C54 H54E 109.5 . . ?
C52 C54 H54F 109.5 . . ?
C55 C54 H54F 153.0 . . ?
H54D C54 H54F 109.5 . . ?
H54E C54 H54F 109.5 . . ?
C35 C32 H32A 109.5 . . ?
C35 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C35 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C35 C33 H33A 109.5 . . ?
C35 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C35 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 H34A 109.5 . . ?
C35 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C35 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.4 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C55 C54 51.2(6) . . ?
C52 C55 H55A 121.6 . . ?
C54 C55 H55A 147.4 . . ?
C52 C55 H55B 14.2 . . ?
C54 C55 H55B 65.3 . . ?
H55A C55 H55B 109.5 . . ?
C52 C55 H55C 108.7 . . ?
C54 C55 H55C 102.2 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C28 C29' H29D 109.5 . . ?
C28 C29' H29E 109.5 . . ?
H29D C29' H29E 109.5 . . ?
C28 C29' H29F 109.5 . . ?
H29D C29' H29F 109.5 . . ?
H29E C29' H29F 109.5 . . ?
C28 C30' H30D 109.5 . . ?
C28 C30' H30E 109.5 . . ?
H30D C30' H30E 109.5 . . ?
C28 C30' H30F 109.5 . . ?
H30D C30' H30F 109.5 . . ?
H30E C30' H30F 109.5 . . ?
C28 C31' H31D 109.5 . . ?
C28 C31' H31E 109.5 . . ?
H31D C31' H31E 109.5 . . ?
C28 C31' H31F 109.5 . . ?
H31D C31' H31F 109.5 . . ?
H31E C31' H31F 109.5 . . ?
C39 C41' H41D 109.5 . . ?
C39 C41' H41E 109.5 . . ?
H41D C41' H41E 109.5 . . ?
C39 C41' H41F 109.5 . . ?
H41D C41' H41F 109.5 . . ?
H41E C41' H41F 109.5 . . ?
C39 C42' H42D 109.5 . . ?
C39 C42' H42E 109.5 . . ?
H42D C42' H42E 109.5 . . ?
C39 C42' H42F 109.5 . . ?
H42D C42' H42F 109.5 . . ?
H42E C42' H42F 109.5 . . ?
C39 C43' H43D 109.5 . . ?
C39 C43' H43E 109.5 . . ?
H43D C43' H43E 109.5 . . ?
C39 C43' H43F 109.5 . . ?
H43D C43' H43F 109.5 . . ?
H43E C43' H43F 109.5 . . ?
C59 C56' H56D 109.5 . . ?
C59 C56' H56E 109.5 . . ?
H56D C56' H56E 109.5 . . ?
C59 C56' H56F 109.5 . . ?
H56D C56' H56F 109.5 . . ?
H56E C56' H56F 109.5 . . ?
C59 C57' H57D 109.5 . . ?
C59 C57' H57E 109.5 . . ?
H57D C57' H57E 109.5 . . ?
C59 C57' H57F 109.5 . . ?
H57D C57' H57F 109.5 . . ?
H57E C57' H57F 109.5 . . ?
C59 C58' H58D 109.5 . . ?
C59 C58' H58E 109.5 . . ?
H58D C58' H58E 109.5 . . ?
C59 C58' H58F 109.5 . . ?
H58D C58' H58F 109.5 . . ?
H58E C58' H58F 109.5 . . ?
C35 C32' H32D 109.5 . . ?
C35 C32' H32E 109.5 . . ?
H32D C32' H32E 109.5 . . ?
C35 C32' H32F 109.5 . . ?
H32D C32' H32F 109.5 . . ?
H32E C32' H32F 109.5 . . ?
C35 C33' H33D 109.5 . . ?
C35 C33' H33E 109.5 . . ?
H33D C33' H33E 109.5 . . ?
C35 C33' H33F 109.5 . . ?
H33D C33' H33F 109.5 . . ?
H33E C33' H33F 109.5 . . ?
C35 C34' H34D 109.5 . . ?
C35 C34' H34E 109.5 . . ?
H34D C34' H34E 109.5 . . ?
C35 C34' H34F 109.5 . . ?
H34D C34' H34F 109.5 . . ?
H34E C34' H34F 109.5 . . ?
C52 C53' H53D 109.4 . . ?
C52 C53' H53E 109.5 . . ?
H53D C53' H53E 109.5 . . ?
C52 C53' H53F 109.5 . . ?
H53D C53' H53F 109.5 . . ?
H53E C53' H53F 109.5 . . ?
C52 C54' H54A 102.7 . . ?
C52 C54' H54B 104.3 . . ?
H54A C54' H54B 109.5 . . ?
C52 C54' H54C 120.9 . . ?
H54A C54' H54C 109.5 . . ?
H54B C54' H54C 109.5 . . ?
C52 C55' H55D 109.5 . . ?
C52 C55' H55E 109.5 . . ?
H55D C55' H55E 109.5 . . ?
C52 C55' H55F 109.5 . . ?
H55D C55' H55F 109.5 . . ?
H55E C55' H55F 109.5 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C63 C66 H66D 109.5 . . ?
C63 C66 H66E 109.5 . . ?
H66D C66 H66E 109.5 . . ?
C63 C66 H66F 109.5 . . ?
H66D C66 H66F 109.5 . . ?
H66E C66 H66F 109.5 . . ?

_refine_diff_density_max         1.506
_refine_diff_density_min         -0.952
_refine_diff_density_rms         0.104

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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 1429734'
_audit_update_record             
;
2015-12-16 deposited with the CCDC.
2016-01-15 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         'C50 H24 Dy2 F36 N2 O14'
_chemical_formula_sum            'C50 H24 Dy2 F36 N2 O14'
_chemical_formula_weight         1885.71

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'
O O 0.0106 0.0060 '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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   12.0760(6)
_cell_length_b                   12.7204(6)
_cell_length_c                   12.9553(6)
_cell_angle_alpha                105.245(4)
_cell_angle_beta                 112.104(4)
_cell_angle_gamma                106.283(4)
_cell_volume                     1610.80(15)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6052
_cell_measurement_theta_min      2.9203
_cell_measurement_theta_max      28.9437

_exptl_crystal_description       block
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.944
_exptl_crystal_F_000             906
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_absorpt_coefficient_mu    2.467
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13290
_diffrn_reflns_av_unetI/netI     0.0447
_diffrn_reflns_av_R_equivalents  0.0248
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.926
_diffrn_reflns_theta_max         29.008
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.847
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.847
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.847
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7259
_reflns_number_gt                6283
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
# omit 0 2 0
# omit 0 -2 3
# omit 2 0 0
# dfix c11 f1 c11 f2 c11 f2' c11 f3' c11 f3 c11 f1' 1.38
# dfix c15 f4' c15 f5' c15 f6' c15  f4 c15  f5 c15 f6  1.38
# dfix c20 f7  c20 f8  c20 f9  c20 f7'  c20 f8'  c20 f9' 1.38
# dfix c16 f10   c16  f11  c16 f12  c16 f10'  c16 f11'   c16 f12' 1.38
# dfix c21 f13'  c21   f14' c21  f15'  c21 f13   c21  f15 1.38
# dfix f16' c25 f3' c11 f5' c15 f12' c16 f9' c20 1.38
# dfix f12 c16 c21 f13' c15 f5 c20 f7  1.38
# dfix c21  f14 1.45
# dfix c21 f14' 1.32

# sadi f1 f2 f2 f3 f3 f1
# sadi f1' f2' f2' f3' f3' f1'
# sadi f4 f5 f5 f6 f6 f4
# sadi f4' f5' f5' f6' f6' f4'
# sadi f7 f8 f9 f8 f9 f7
# sadi f7' f8' f9' f8' f9' f7'
# sadi f10 f11 f11 f12 f12 f10
# sadi f10' f11' f11' f12' f12' f10'
# sadi f13 f14 f14 f15 f15 f13
# sadi f13' f14' f14' f15' f15' f13'
# eadp f1 f1'
# eadp f2 f2'
# eadp f3 f3'
# eadp f4 f4'
# eadp f5 f5'
# eadp f6 f6'
# eadp f7 f7'
# eadp f8 f8'
# eadp f9 f9'
# eadp f10 f10'
# eadp f11 f11'
# eadp f12 f12'
# eadp f13 f13'
# eadp f14 f14'
# eadp f15 f15'
# eadp f16 f16'
# eadp f17 f17'
# eadp f18 f18'
# isor 0.01 f7   f15 f15' f7'
# isor 0.002 f8 f8'
# isor 0.05 f1  f3 f4 f5 f6  f9 f10 f11 f12 f13 f14
# isor 0.03 f1' f3' f4' f5' f6'  f9' f10' f11' f12' f13' f14'
# delu 0.03 f1  f3 f4 f5 f6 f7 f8 f9 f10 f11 f12 f13 f14 f15
# delu 0.05 f1'   f3' f4' f5' f6' f7' f8' f9' f10' f11' f12' f13' f14' f15'
# isor f2 f2' 0.005
# delu f2 f2' 0.005
# isor 0.005 f16 f17 f18 f16' f17' f18'
# sadi f16 f17 f17 f18 f18 f16 f16' f17' f17' f18' f18' f16'
;
 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       'CrysAlis PRO (Agilent, 2011)'
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0506P)²+1.9614P] 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         7259
_refine_ls_number_parameters     524
_refine_ls_number_restraints     301
_refine_ls_R_factor_all          0.0503
_refine_ls_R_factor_gt           0.0403
_refine_ls_wR_factor_ref         0.1054
_refine_ls_wR_factor_gt          0.0967
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.005
_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
C19 C 0.2399(7) 0.9215(5) 0.3785(5) 0.0642(16) Uani 1 1 d . . . . .
C15 C -0.1171(7) 0.6105(6) 0.3821(7) 0.0776(19) Uani 1 1 d D . . . .
C10 C 0.0711(5) 0.6956(4) -0.1546(4) 0.0446(11) Uani 1 1 d . . . . .
C1 C -0.0192(5) 0.6410(4) -0.1198(4) 0.0397(10) Uani 1 1 d . . . . .
C25 C 0.3824(9) 0.6186(8) 0.5028(7) 0.087(2) Uani 1 1 d D . . . .
C2 C -0.1319(5) 0.6585(4) -0.1531(5) 0.0476(12) Uani 1 1 d . . . . .
H2 H -0.1919 0.6258 -0.1291 0.057 Uiso 1 1 calc R U . . .
C16 C 0.3281(8) 0.9926(5) 0.1465(7) 0.088(2) Uani 1 1 d D . . . .
C5 C 0.0434(6) 0.7610(5) -0.2270(5) 0.0559(14) Uani 1 1 d . . . . .
C6 C 0.1403(8) 0.8119(6) -0.2564(6) 0.0717(19) Uani 1 1 d . . . . .
H6 H 0.1248 0.8546 -0.3045 0.086 Uiso 1 1 calc R U . . .
C11 C -0.1691(7) 0.8429(6) 0.1263(8) 0.084(2) Uani 1 1 d D . . . .
C8 C 0.2798(7) 0.7370(6) -0.1460(6) 0.0659(16) Uani 1 1 d . . . . .
C20 C 0.2645(9) 0.9958(6) 0.5024(8) 0.106(3) Uani 1 1 d D . . . .
C17 C 0.2727(6) 0.9215(5) 0.2055(5) 0.0561(14) Uani 1 1 d . . . . .
C21 C 0.4585(7) 0.5802(8) 0.1458(8) 0.093(3) Uani 1 1 d D . . . .
C4 C -0.0754(7) 0.7739(5) -0.2605(6) 0.0671(17) Uani 1 1 d . . . . .
H4 H -0.0961 0.8160 -0.3083 0.081 Uiso 1 1 calc R U . . .
C24 C 0.3346(6) 0.6156(5) 0.3736(5) 0.0568(14) Uani 1 1 d . . . . .
C9 C 0.4058(8) 0.7269(9) -0.0957(10) 0.105(3) Uani 1 1 d . . . . .
H9A H 0.4638 0.7884 -0.0140 0.158 Uiso 1 1 calc R U . . .
H9B H 0.4457 0.7365 -0.1462 0.158 Uiso 1 1 calc R U . . .
H9C H 0.3900 0.6492 -0.0941 0.158 Uiso 1 1 calc R U . . .
C12 C -0.1138(6) 0.7593(5) 0.1675(6) 0.0552(13) Uani 1 1 d . . . . .
C3 C -0.1591(7) 0.7251(5) -0.2233(6) 0.0636(16) Uani 1 1 d . . . . .
H3 H -0.2366 0.7356 -0.2443 0.076 Uiso 1 1 calc R U . . .
C13 C -0.1293(6) 0.7293(5) 0.2566(6) 0.0598(15) Uani 1 1 d . . . . .
H13 H -0.1653 0.7675 0.2976 0.072 Uiso 1 1 calc R U . . .
C14 C -0.0925(5) 0.6433(5) 0.2872(5) 0.0520(12) Uani 1 1 d . . . . .
C22 C 0.3735(5) 0.6020(5) 0.2033(6) 0.0578(14) Uani 1 1 d . . . . .
C18 C 0.2866(7) 0.9824(5) 0.3174(6) 0.075(2) Uani 1 1 d . . . . .
H18 H 0.3281 1.0661 0.3534 0.090 Uiso 1 1 calc R U . . .
C7 C 0.2534(8) 0.8010(6) -0.2178(7) 0.076(2) Uani 1 1 d . . . . .
H7 H 0.3155 0.8362 -0.2387 0.091 Uiso 1 1 calc R U . . .
C23 C 0.4140(6) 0.6099(6) 0.3203(6) 0.0647(16) Uani 1 1 d . . . . .
H23 H 0.4960 0.6114 0.3644 0.078 Uiso 1 1 calc R U . . .
N1 N 0.1884(5) 0.6887(4) -0.1176(4) 0.0505(10) Uani 1 1 d . . . . .
H1A H 0.2054 0.6503 -0.0724 0.061 Uiso 1 1 calc R U . . .
O4 O 0.2170(4) 0.8105(3) 0.1425(3) 0.0501(8) Uani 1 1 d . . . . .
O5 O 0.1816(4) 0.8116(3) 0.3412(4) 0.0608(10) Uani 1 1 d . . . . .
O6 O 0.2728(4) 0.6085(3) 0.1336(4) 0.0536(9) Uani 1 1 d . . . . .
O3 O -0.0422(4) 0.5851(3) 0.2404(3) 0.0481(8) Uani 1 1 d . . . . .
O2 O -0.0553(4) 0.7242(3) 0.1118(4) 0.0541(9) Uani 1 1 d . . . . .
O1 O 0.0082(3) 0.5743(3) -0.0561(3) 0.0366(7) Uani 1 1 d . . . . .
O7 O 0.2232(4) 0.6129(3) 0.3264(3) 0.0559(9) Uani 1 1 d . . . . .
F1 F -0.210(3) 0.9064(17) 0.189(3) 0.131(4) Uani 0.5 1 d D U P A 1
F2 F -0.2801(19) 0.773(2) 0.0176(15) 0.121(4) Uani 0.5 1 d D U P A 1
F3 F -0.096(3) 0.916(2) 0.099(2) 0.118(6) Uani 0.5 1 d D U P A 1
F4 F -0.2275(16) 0.5072(14) 0.3209(17) 0.121(5) Uani 0.5 1 d D U P B 1
F5 F -0.135(2) 0.6955(16) 0.448(3) 0.121(5) Uani 0.5 1 d D U P B 1
F6 F -0.022(2) 0.5907(18) 0.457(2) 0.134(6) Uani 0.5 1 d D U P B 1
F7 F 0.2120(15) 0.9374(10) 0.5534(10) 0.131(4) Uani 0.5 1 d D U P C 1
F8 F 0.2161(15) 1.0797(14) 0.4977(14) 0.150(4) Uani 0.5 1 d D U P C 1
F9 F 0.3960(12) 1.0641(11) 0.5815(10) 0.140(4) Uani 0.5 1 d D U P C 1
F10 F 0.398(4) 1.1078(17) 0.219(4) 0.142(6) Uani 0.5 1 d D U P D 1
F11 F 0.401(2) 0.952(4) 0.104(2) 0.144(6) Uani 0.5 1 d D U P D 1
F12 F 0.226(3) 0.980(3) 0.0476(11) 0.125(6) Uani 0.5 1 d D U P D 1
F13 F 0.381(2) 0.5287(19) 0.0227(12) 0.108(3) Uani 0.5 1 d D U P E 1
F14 F 0.5606(12) 0.6762(17) 0.170(3) 0.125(4) Uani 0.5 1 d D U P E 1
F15 F 0.5006(13) 0.4959(12) 0.1678(15) 0.129(4) Uani 0.5 1 d D U P E 1
F16 F 0.3661(13) 0.5091(10) 0.5004(15) 0.124(4) Uani 0.5 1 d D U P F 1
F17 F 0.3239(12) 0.6569(11) 0.5636(11) 0.111(3) Uani 0.5 1 d D U P F 1
F18 F 0.5124(11) 0.6886(10) 0.5694(14) 0.112(3) Uani 0.5 1 d D U P F 1
F16' F 0.3061(13) 0.5190(10) 0.5002(15) 0.124(4) Uani 0.5 1 d D U P F 2
F17' F 0.3783(12) 0.7146(10) 0.5709(11) 0.111(3) Uani 0.5 1 d D U P F 2
F18' F 0.5075(11) 0.6331(10) 0.5618(14) 0.112(3) Uani 0.5 1 d D U P F 2
F1' F -0.230(3) 0.8695(17) 0.188(3) 0.131(4) Uani 0.5 1 d D U P A 2
F2' F -0.2539(19) 0.798(2) 0.0083(14) 0.121(4) Uani 0.5 1 d D U P A 2
F3' F -0.071(3) 0.943(2) 0.152(2) 0.118(6) Uani 0.5 1 d D U P A 2
F4' F -0.1706(17) 0.4952(13) 0.3574(17) 0.121(5) Uani 0.5 1 d D U P B 2
F5' F -0.180(2) 0.6573(17) 0.430(3) 0.121(5) Uani 0.5 1 d D U P B 2
F6' F 0.002(2) 0.6502(18) 0.477(2) 0.134(6) Uani 0.5 1 d D U P B 2
F7' F 0.3224(14) 0.9582(11) 0.5854(10) 0.131(4) Uani 0.5 1 d D U P C 2
F8' F 0.1446(13) 0.9766(13) 0.4998(14) 0.150(4) Uani 0.5 1 d D U P C 2
F9' F 0.3224(15) 1.1123(8) 0.5425(11) 0.140(4) Uani 0.5 1 d D U P C 2
F10' F 0.369(4) 1.1093(16) 0.195(4) 0.142(6) Uani 0.5 1 d D U P D 2
F11' F 0.436(2) 0.975(4) 0.157(2) 0.144(6) Uani 0.5 1 d D U P D 2
F12' F 0.259(3) 0.957(3) 0.0271(10) 0.125(6) Uani 0.5 1 d D U P D 2
F13' F 0.401(2) 0.5028(19) 0.0315(12) 0.108(3) Uani 0.5 1 d D U P E 2
F14' F 0.5200(12) 0.6898(16) 0.147(3) 0.125(4) Uani 0.5 1 d D U P E 2
F15' F 0.5619(13) 0.5647(13) 0.2180(15) 0.129(4) Uani 0.5 1 d D U P E 2
Dy1 Dy 0.09453(2) 0.63880(2) 0.15597(2) 0.03646(8) 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
C19 O5 1.234(6) . ?
C19 C18 1.399(9) . ?
C19 C20 1.498(9) . ?
C15 F5' 1.316(12) . ?
C15 F5 1.317(12) . ?
C15 F4' 1.318(14) . ?
C15 F6' 1.335(16) . ?
C15 F6 1.336(15) . ?
C15 F4 1.344(15) . ?
C15 C14 1.500(8) . ?
C10 N1 1.351(7) . ?
C10 C1 1.409(7) . ?
C10 C5 1.418(7) . ?
C1 O1 1.353(5) . ?
C1 C2 1.366(7) . ?
C25 F16' 1.325(12) . ?
C25 F17 1.329(13) . ?
C25 F17' 1.331(13) . ?
C25 F18 1.340(14) . ?
C25 F16 1.341(15) . ?
C25 F18' 1.342(13) . ?
C25 C24 1.537(10) . ?
C2 C3 1.410(8) . ?
C2 H2 0.9300 . ?
C16 F10' 1.308(17) . ?
C16 F10 1.314(16) . ?
C16 F12' 1.319(12) . ?
C16 F12 1.333(13) . ?
C16 F11 1.344(16) . ?
C16 F11' 1.350(17) . ?
C16 C17 1.504(9) . ?
C5 C4 1.405(9) . ?
C5 C6 1.406(9) . ?
C6 C7 1.328(10) . ?
C6 H6 0.9300 . ?
C11 F3 1.307(16) . ?
C11 F1 1.317(15) . ?
C11 F2' 1.322(15) . ?
C11 F1' 1.321(15) . ?
C11 F3' 1.333(13) . ?
C11 F2 1.350(15) . ?
C11 C12 1.514(9) . ?
C8 N1 1.332(7) . ?
C8 C7 1.396(10) . ?
C8 C9 1.471(10) . ?
C20 F9' 1.302(10) . ?
C20 F7 1.304(10) . ?
C20 F7' 1.330(13) . ?
C20 F8 1.357(13) . ?
C20 F9 1.364(13) . ?
C20 F8' 1.385(13) . ?
C17 O4 1.250(6) . ?
C17 C18 1.371(8) . ?
C21 F13' 1.311(12) . ?
C21 F14 1.331(14) . ?
C21 F15' 1.352(13) . ?
C21 F13 1.355(14) . ?
C21 F15 1.358(13) . ?
C21 F14' 1.375(12) . ?
C21 C22 1.521(9) . ?
C4 C3 1.347(9) . ?
C4 H4 0.9300 . ?
C24 O7 1.237(7) . ?
C24 C23 1.382(9) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C12 O2 1.270(6) . ?
C12 C13 1.365(8) . ?
C3 H3 0.9300 . ?
C13 C14 1.386(8) . ?
C13 H13 0.9300 . ?
C14 O3 1.255(6) . ?
C22 O6 1.253(7) . ?
C22 C23 1.372(9) . ?
C18 H18 0.9300 . ?
C7 H7 0.9300 . ?
C23 H23 0.9300 . ?
N1 H1A 0.8600 . ?
O4 Dy1 2.360(3) . ?
O5 Dy1 2.393(4) . ?
O6 Dy1 2.397(3) . ?
O3 Dy1 2.347(3) . ?
O2 Dy1 2.330(3) . ?
O1 Dy1 2.342(3) . ?
O1 Dy1 2.371(3) 2_565 ?
O7 Dy1 2.342(4) . ?
Dy1 O1 2.371(3) 2_565 ?
Dy1 Dy1 3.8787(5) 2_565 ?

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
O5 C19 C18 126.4(5) . . ?
O5 C19 C20 116.0(6) . . ?
C18 C19 C20 117.5(5) . . ?
F5' C15 F4' 104.6(13) . . ?
F5' C15 F6' 104.0(15) . . ?
F4' C15 F6' 102.8(11) . . ?
F5 C15 F6 109.0(14) . . ?
F5 C15 F4 109.7(12) . . ?
F6 C15 F4 107.1(11) . . ?
F5' C15 C14 120.2(16) . . ?
F5 C15 C14 109.8(14) . . ?
F4' C15 C14 117.5(11) . . ?
F6' C15 C14 105.5(16) . . ?
F6 C15 C14 114.7(17) . . ?
F4 C15 C14 106.4(10) . . ?
N1 C10 C1 120.4(5) . . ?
N1 C10 C5 118.0(5) . . ?
C1 C10 C5 121.5(5) . . ?
O1 C1 C2 123.0(4) . . ?
O1 C1 C10 119.6(4) . . ?
C2 C1 C10 117.4(5) . . ?
F16' C25 F17' 110.7(10) . . ?
F17 C25 F18 108.5(9) . . ?
F17 C25 F16 105.3(10) . . ?
F18 C25 F16 106.5(9) . . ?
F16' C25 F18' 107.2(9) . . ?
F17' C25 F18' 105.1(9) . . ?
F16' C25 C24 110.8(9) . . ?
F17 C25 C24 116.5(8) . . ?
F17' C25 C24 106.8(8) . . ?
F18 C25 C24 108.3(10) . . ?
F16 C25 C24 111.4(9) . . ?
F18' C25 C24 116.0(10) . . ?
C1 C2 C3 121.4(5) . . ?
C1 C2 H2 119.3 . . ?
C3 C2 H2 119.3 . . ?
F10' C16 F12' 106(2) . . ?
F10 C16 F12 108.8(18) . . ?
F10 C16 F11 109(2) . . ?
F12 C16 F11 104.9(15) . . ?
F10' C16 F11' 105.6(19) . . ?
F12' C16 F11' 101.3(15) . . ?
F10' C16 C17 118(3) . . ?
F10 C16 C17 113(3) . . ?
F12' C16 C17 118.3(17) . . ?
F12 C16 C17 107.0(16) . . ?
F11 C16 C17 114.3(19) . . ?
F11' C16 C17 105.7(18) . . ?
C4 C5 C6 124.7(6) . . ?
C4 C5 C10 118.4(5) . . ?
C6 C5 C10 116.9(6) . . ?
C7 C6 C5 122.1(6) . . ?
C7 C6 H6 119.0 . . ?
C5 C6 H6 119.0 . . ?
F3 C11 F1 106.9(16) . . ?
F2' C11 F1' 108.1(14) . . ?
F2' C11 F3' 107.2(14) . . ?
F1' C11 F3' 109.6(13) . . ?
F3 C11 F2 102.8(15) . . ?
F1 C11 F2 102.6(15) . . ?
F3 C11 C12 114(2) . . ?
F1 C11 C12 121.4(13) . . ?
F2' C11 C12 115.3(14) . . ?
F1' C11 C12 106.9(11) . . ?
F3' C11 C12 110(2) . . ?
F2 C11 C12 106.4(13) . . ?
N1 C8 C7 117.7(6) . . ?
N1 C8 C9 119.3(6) . . ?
C7 C8 C9 122.9(6) . . ?
F9' C20 F7' 111.4(9) . . ?
F7 C20 F8 105.1(10) . . ?
F7 C20 F9 109.4(10) . . ?
F8 C20 F9 102.7(8) . . ?
F9' C20 F8' 103.0(9) . . ?
F7' C20 F8' 103.1(9) . . ?
F9' C20 C19 117.4(9) . . ?
F7 C20 C19 116.1(7) . . ?
F7' C20 C19 111.5(8) . . ?
F8 C20 C19 111.0(9) . . ?
F9 C20 C19 111.5(8) . . ?
F8' C20 C19 109.1(9) . . ?
O4 C17 C18 128.0(5) . . ?
O4 C17 C16 113.3(5) . . ?
C18 C17 C16 118.6(5) . . ?
F13' C21 F15' 111.6(10) . . ?
F14 C21 F13 106.0(12) . . ?
F14 C21 F15 109.1(9) . . ?
F13 C21 F15 103.1(10) . . ?
F13' C21 F14' 105.3(12) . . ?
F15' C21 F14' 102.0(9) . . ?
F13' C21 C22 118.9(11) . . ?
F14 C21 C22 117.1(13) . . ?
F15' C21 C22 113.3(10) . . ?
F13 C21 C22 107.7(10) . . ?
F15 C21 C22 112.7(10) . . ?
F14' C21 C22 103.6(12) . . ?
C3 C4 C5 119.8(5) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
O7 C24 C23 127.0(6) . . ?
O7 C24 C25 114.2(6) . . ?
C23 C24 C25 118.7(6) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O2 C12 C13 126.7(5) . . ?
O2 C12 C11 113.2(5) . . ?
C13 C12 C11 120.1(5) . . ?
C4 C3 C2 121.5(6) . . ?
C4 C3 H3 119.3 . . ?
C2 C3 H3 119.3 . . ?
C12 C13 C14 121.5(5) . . ?
C12 C13 H13 119.3 . . ?
C14 C13 H13 119.3 . . ?
O3 C14 C13 126.4(5) . . ?
O3 C14 C15 114.6(5) . . ?
C13 C14 C15 119.0(5) . . ?
O6 C22 C23 129.0(5) . . ?
O6 C22 C21 113.5(6) . . ?
C23 C22 C21 117.5(5) . . ?
C17 C18 C19 121.5(5) . . ?
C17 C18 H18 119.3 . . ?
C19 C18 H18 119.3 . . ?
C6 C7 C8 120.5(6) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 H7 119.7 . . ?
C22 C23 C24 120.9(5) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C8 N1 C10 124.8(5) . . ?
C8 N1 H1A 117.6 . . ?
C10 N1 H1A 117.6 . . ?
C17 O4 Dy1 136.1(4) . . ?
C19 O5 Dy1 136.4(4) . . ?
C22 O6 Dy1 133.2(4) . . ?
C14 O3 Dy1 130.4(3) . . ?
C12 O2 Dy1 132.4(4) . . ?
C1 O1 Dy1 125.9(3) . . ?
C1 O1 Dy1 120.4(3) . 2_565 ?
Dy1 O1 Dy1 110.75(11) . 2_565 ?
C24 O7 Dy1 136.4(4) . . ?
O2 Dy1 O7 135.85(13) . . ?
O2 Dy1 O1 79.08(12) . . ?
O7 Dy1 O1 144.07(12) . . ?
O2 Dy1 O3 71.33(12) . . ?
O7 Dy1 O3 74.79(13) . . ?
O1 Dy1 O3 121.08(12) . . ?
O2 Dy1 O4 79.19(13) . . ?
O7 Dy1 O4 111.56(14) . . ?
O1 Dy1 O4 78.26(11) . . ?
O3 Dy1 O4 139.41(12) . . ?
O2 Dy1 O1 112.83(12) . 2_565 ?
O7 Dy1 O1 85.61(12) . 2_565 ?
O1 Dy1 O1 69.25(12) . 2_565 ?
O3 Dy1 O1 77.08(11) . 2_565 ?
O4 Dy1 O1 141.62(11) . 2_565 ?
O2 Dy1 O5 75.32(14) . . ?
O7 Dy1 O5 69.07(14) . . ?
O1 Dy1 O5 142.97(12) . . ?
O3 Dy1 O5 74.87(13) . . ?
O4 Dy1 O5 71.04(12) . . ?
O1 Dy1 O5 146.15(12) 2_565 . ?
O2 Dy1 O6 147.47(13) . . ?
O7 Dy1 O6 71.51(13) . . ?
O1 Dy1 O6 79.53(12) . . ?
O3 Dy1 O6 141.17(12) . . ?
O4 Dy1 O6 72.65(12) . . ?
O1 Dy1 O6 81.64(11) 2_565 . ?
O5 Dy1 O6 109.47(14) . . ?
O2 Dy1 Dy1 97.05(10) . 2_565 ?
O7 Dy1 Dy1 116.25(9) . 2_565 ?
O1 Dy1 Dy1 34.87(7) . 2_565 ?
O3 Dy1 Dy1 100.08(9) . 2_565 ?
O4 Dy1 Dy1 110.88(8) . 2_565 ?
O1 Dy1 Dy1 34.38(7) 2_565 2_565 ?
O5 Dy1 Dy1 171.82(11) . 2_565 ?
O6 Dy1 Dy1 78.54(10) . 2_565 ?

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
N1 C10 C1 O1 -4.6(7) . . . . ?
C5 C10 C1 O1 176.6(4) . . . . ?
N1 C10 C1 C2 175.5(4) . . . . ?
C5 C10 C1 C2 -3.2(7) . . . . ?
O1 C1 C2 C3 -177.7(5) . . . . ?
C10 C1 C2 C3 2.1(7) . . . . ?
N1 C10 C5 C4 -176.8(5) . . . . ?
C1 C10 C5 C4 2.0(8) . . . . ?
N1 C10 C5 C6 1.2(7) . . . . ?
C1 C10 C5 C6 179.9(5) . . . . ?
C4 C5 C6 C7 177.1(6) . . . . ?
C10 C5 C6 C7 -0.7(9) . . . . ?
O5 C19 C20 F9' -178.0(10) . . . . ?
C18 C19 C20 F9' 3.0(14) . . . . ?
O5 C19 C20 F7 -5.6(14) . . . . ?
C18 C19 C20 F7 175.4(11) . . . . ?
O5 C19 C20 F7' 51.8(11) . . . . ?
C18 C19 C20 F7' -127.2(9) . . . . ?
O5 C19 C20 F8 -125.5(10) . . . . ?
C18 C19 C20 F8 55.5(12) . . . . ?
O5 C19 C20 F9 120.6(9) . . . . ?
C18 C19 C20 F9 -58.4(11) . . . . ?
O5 C19 C20 F8' -61.5(11) . . . . ?
C18 C19 C20 F8' 119.6(10) . . . . ?
F10' C16 C17 O4 169.0(18) . . . . ?
F10 C16 C17 O4 -173.5(17) . . . . ?
F12' C16 C17 O4 38.9(14) . . . . ?
F12 C16 C17 O4 67.1(11) . . . . ?
F11 C16 C17 O4 -48.5(15) . . . . ?
F11' C16 C17 O4 -73.5(14) . . . . ?
F10' C16 C17 C18 -10(2) . . . . ?
F10 C16 C17 C18 7.1(19) . . . . ?
F12' C16 C17 C18 -140.5(12) . . . . ?
F12 C16 C17 C18 -112.3(11) . . . . ?
F11 C16 C17 C18 132.0(14) . . . . ?
F11' C16 C17 C18 107.0(14) . . . . ?
C6 C5 C4 C3 -177.4(6) . . . . ?
C10 C5 C4 C3 0.3(9) . . . . ?
F16' C25 C24 O7 63.6(10) . . . . ?
F17 C25 C24 O7 -21.2(11) . . . . ?
F17' C25 C24 O7 -57.1(9) . . . . ?
F18 C25 C24 O7 -143.7(8) . . . . ?
F16 C25 C24 O7 99.5(9) . . . . ?
F18' C25 C24 O7 -173.9(7) . . . . ?
F16' C25 C24 C23 -113.2(9) . . . . ?
F17 C25 C24 C23 162.0(8) . . . . ?
F17' C25 C24 C23 126.1(8) . . . . ?
F18 C25 C24 C23 39.5(10) . . . . ?
F16 C25 C24 C23 -77.2(10) . . . . ?
F18' C25 C24 C23 9.3(10) . . . . ?
F3 C11 C12 O2 -35.8(13) . . . . ?
F1 C11 C12 O2 -166.5(16) . . . . ?
F2' C11 C12 O2 57.9(13) . . . . ?
F1' C11 C12 O2 178.2(14) . . . . ?
F3' C11 C12 O2 -63.0(13) . . . . ?
F2 C11 C12 O2 76.9(12) . . . . ?
F3 C11 C12 C13 144.0(12) . . . . ?
F1 C11 C12 C13 13.3(18) . . . . ?
F2' C11 C12 C13 -122.2(13) . . . . ?
F1' C11 C12 C13 -2.0(15) . . . . ?
F3' C11 C12 C13 116.8(12) . . . . ?
F2 C11 C12 C13 -103.2(13) . . . . ?
C5 C4 C3 C2 -1.5(9) . . . . ?
C1 C2 C3 C4 0.2(9) . . . . ?
O2 C12 C13 C14 -7.2(10) . . . . ?
C11 C12 C13 C14 173.0(6) . . . . ?
C12 C13 C14 O3 0.4(10) . . . . ?
C12 C13 C14 C15 -177.5(6) . . . . ?
F5' C15 C14 O3 -173.8(14) . . . . ?
F5 C15 C14 O3 163.2(13) . . . . ?
F4' C15 C14 O3 -44.5(12) . . . . ?
F6' C15 C14 O3 69.3(12) . . . . ?
F6 C15 C14 O3 40.1(13) . . . . ?
F4 C15 C14 O3 -78.1(10) . . . . ?
F5' C15 C14 C13 4.3(16) . . . . ?
F5 C15 C14 C13 -18.7(14) . . . . ?
F4' C15 C14 C13 133.6(11) . . . . ?
F6' C15 C14 C13 -112.6(12) . . . . ?
F6 C15 C14 C13 -141.8(11) . . . . ?
F4 C15 C14 C13 100.0(10) . . . . ?
F13' C21 C22 O6 -41.6(14) . . . . ?
F14 C21 C22 O6 96.1(12) . . . . ?
F15' C21 C22 O6 -175.6(8) . . . . ?
F13 C21 C22 O6 -23.0(13) . . . . ?
F15 C21 C22 O6 -136.0(8) . . . . ?
F14' C21 C22 O6 74.7(11) . . . . ?
F13' C21 C22 C23 137.4(13) . . . . ?
F14 C21 C22 C23 -84.8(12) . . . . ?
F15' C21 C22 C23 3.4(11) . . . . ?
F13 C21 C22 C23 156.0(12) . . . . ?
F15 C21 C22 C23 43.0(11) . . . . ?
F14' C21 C22 C23 -106.3(11) . . . . ?
O4 C17 C18 C19 2.1(12) . . . . ?
C16 C17 C18 C19 -178.5(7) . . . . ?
O5 C19 C18 C17 -1.1(13) . . . . ?
C20 C19 C18 C17 177.7(7) . . . . ?
C5 C6 C7 C8 0.3(11) . . . . ?
N1 C8 C7 C6 -0.4(10) . . . . ?
C9 C8 C7 C6 -176.9(7) . . . . ?
O6 C22 C23 C24 6.4(10) . . . . ?
C21 C22 C23 C24 -172.4(6) . . . . ?
O7 C24 C23 C22 1.0(10) . . . . ?
C25 C24 C23 C22 177.3(6) . . . . ?
C7 C8 N1 C10 1.0(9) . . . . ?
C9 C8 N1 C10 177.6(6) . . . . ?
C1 C10 N1 C8 179.8(5) . . . . ?
C5 C10 N1 C8 -1.4(8) . . . . ?
C18 C17 O4 Dy1 4.5(11) . . . . ?
C16 C17 O4 Dy1 -174.8(5) . . . . ?
C18 C19 O5 Dy1 -6.4(12) . . . . ?
C20 C19 O5 Dy1 174.7(5) . . . . ?
C23 C22 O6 Dy1 0.5(9) . . . . ?
C21 C22 O6 Dy1 179.4(4) . . . . ?
C13 C14 O3 Dy1 30.2(8) . . . . ?
C15 C14 O3 Dy1 -151.8(4) . . . . ?
C13 C12 O2 Dy1 -17.6(9) . . . . ?
C11 C12 O2 Dy1 162.2(4) . . . . ?
C2 C1 O1 Dy1 -80.6(5) . . . . ?
C10 C1 O1 Dy1 99.6(4) . . . . ?
C2 C1 O1 Dy1 78.1(5) . . . 2_565 ?
C10 C1 O1 Dy1 -101.8(4) . . . 2_565 ?
C23 C24 O7 Dy1 -16.1(9) . . . . ?
C25 C24 O7 Dy1 167.5(4) . . . . ?

_refine_diff_density_max         1.169
_refine_diff_density_min         -0.570
_refine_diff_density_rms         0.108

