# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_2
_database_code_depnum_ccdc_archive 'CCDC 1469847'
_audit_update_record             
;
2016-03-21 deposited with the CCDC.
2016-06-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C64 H72 Dy Li N4 O4'
_chemical_formula_weight         1130.70

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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'Pbcn '

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

_cell_length_a                   17.2073(11)
_cell_length_b                   15.8244(10)
_cell_length_c                   20.0712(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5465.3(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6374
_cell_measurement_theta_min      1.75
_cell_measurement_theta_max      27.52

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            YELLOW
_exptl_crystal_size_max          0.226
_exptl_crystal_size_mid          0.221
_exptl_crystal_size_min          0.185
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2340
_exptl_absorpt_coefficient_mu    1.419
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            31463
_diffrn_reflns_av_R_equivalents  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0140
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.75
_diffrn_reflns_theta_max         27.52
_reflns_number_total             6288
_reflns_number_gt                5038
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0208P)²+6.0891P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6288
_refine_ls_number_parameters     335
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0223
_refine_ls_wR_factor_ref         0.0545
_refine_ls_wR_factor_gt          0.0498
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.043
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.0000 0.833736(7) 0.2500 0.01443(4) Uani 1 2 d S . .
Li1 Li 0.0000 0.3379(3) 0.2500 0.0314(11) Uani 1 2 d S . .
N1 N 0.10496(9) 0.92318(9) 0.25160(8) 0.0167(3) Uani 1 1 d . . .
N2 N 0.05138(9) 0.74456(10) 0.32777(8) 0.0212(3) Uani 1 1 d . . .
O1 O 0.07638(9) 0.26641(9) 0.20662(8) 0.0291(3) Uani 1 1 d . . .
O2 O 0.04572(9) 0.41512(10) 0.31333(9) 0.0375(4) Uani 1 1 d . . .
C1 C 0.16456(11) 0.94859(11) 0.20953(9) 0.0174(4) Uani 1 1 d . . .
C2 C 0.22473(11) 1.00475(13) 0.22784(10) 0.0221(4) Uani 1 1 d . . .
H2 H 0.2267 1.0258 0.2721 0.026 Uiso 1 1 calc R . .
C3 C 0.28100(12) 1.02971(13) 0.18245(11) 0.0263(4) Uani 1 1 d . . .
H3 H 0.3208 1.0675 0.1962 0.032 Uiso 1 1 calc R . .
C4 C 0.28024(12) 1.00053(14) 0.11720(11) 0.0281(4) Uani 1 1 d . . .
H4 H 0.3191 1.0173 0.0863 0.034 Uiso 1 1 calc R . .
C5 C 0.22097(12) 0.94609(13) 0.09842(10) 0.0248(4) Uani 1 1 d . . .
H5 H 0.2194 0.9255 0.0540 0.030 Uiso 1 1 calc R . .
C6 C 0.16409(11) 0.92121(12) 0.14299(10) 0.0203(4) Uani 1 1 d . . .
H6 H 0.1238 0.8847 0.1282 0.024 Uiso 1 1 calc R . .
C7 C 0.11013(11) 0.94452(11) 0.32011(9) 0.0167(4) Uani 1 1 d . . .
C8 C 0.04670(11) 0.98409(12) 0.35082(10) 0.0201(4) Uani 1 1 d . . .
H8 H 0.0026 0.9992 0.3250 0.024 Uiso 1 1 calc R . .
C9 C 0.04763(12) 1.00158(14) 0.41887(10) 0.0255(4) Uani 1 1 d . . .
H9 H 0.0039 1.0279 0.4390 0.031 Uiso 1 1 calc R . .
C10 C 0.11126(12) 0.98116(13) 0.45731(10) 0.0267(5) Uani 1 1 d . . .
H10 H 0.1119 0.9942 0.5035 0.032 Uiso 1 1 calc R . .
C11 C 0.17466(12) 0.94111(13) 0.42773(10) 0.0245(4) Uani 1 1 d . . .
H11 H 0.2185 0.9262 0.4540 0.029 Uiso 1 1 calc R . .
C12 C 0.17405(11) 0.92304(12) 0.36039(10) 0.0205(4) Uani 1 1 d . . .
H12 H 0.2176 0.8956 0.3409 0.025 Uiso 1 1 calc R . .
C13 C -0.08020(12) 0.70882(12) 0.35881(11) 0.0251(4) Uani 1 1 d . . .
H13 H -0.0866 0.6834 0.3163 0.030 Uiso 1 1 calc R . .
C14 C -0.00752(12) 0.74257(11) 0.37606(10) 0.0210(4) Uani 1 1 d . . .
C15 C -0.00120(13) 0.78040(13) 0.43962(10) 0.0255(4) Uani 1 1 d . . .
H15 H 0.0466 0.8054 0.4527 0.031 Uiso 1 1 calc R . .
C16 C -0.06334(14) 0.78164(14) 0.48300(11) 0.0299(5) Uani 1 1 d . . .
H16 H -0.0574 0.8066 0.5258 0.036 Uiso 1 1 calc R . .
C17 C -0.13508(14) 0.74662(13) 0.46488(11) 0.0307(5) Uani 1 1 d . . .
H17 H -0.1775 0.7470 0.4951 0.037 Uiso 1 1 calc R . .
C18 C -0.14304(13) 0.71147(13) 0.40222(12) 0.0306(5) Uani 1 1 d . . .
H18 H -0.1918 0.6890 0.3888 0.037 Uiso 1 1 calc R . .
C19 C 0.12620(12) 0.71738(12) 0.34439(10) 0.0211(4) Uani 1 1 d . . .
C20 C 0.18782(12) 0.73189(13) 0.29964(10) 0.0246(4) Uani 1 1 d . . .
H20 H 0.1779 0.7618 0.2595 0.029 Uiso 1 1 calc R . .
C21 C 0.26275(13) 0.70361(13) 0.31264(11) 0.0289(5) Uani 1 1 d . . .
H21 H 0.3031 0.7148 0.2815 0.035 Uiso 1 1 calc R . .
C22 C 0.27934(14) 0.65916(14) 0.37067(12) 0.0328(5) Uani 1 1 d . . .
H22 H 0.3306 0.6399 0.3797 0.039 Uiso 1 1 calc R . .
C23 C 0.21960(14) 0.64374(14) 0.41479(12) 0.0339(5) Uani 1 1 d . . .
H23 H 0.2300 0.6128 0.4544 0.041 Uiso 1 1 calc R . .
C24 C 0.14428(13) 0.67241(13) 0.40269(11) 0.0283(5) Uani 1 1 d . . .
H24 H 0.1046 0.6613 0.4344 0.034 Uiso 1 1 calc R . .
C25 C 0.13467(14) 0.30847(15) 0.16603(12) 0.0348(5) Uani 1 1 d . . .
H25A H 0.1871 0.3011 0.1856 0.042 Uiso 1 1 calc R . .
H25B H 0.1234 0.3697 0.1626 0.042 Uiso 1 1 calc R . .
C26 C 0.13014(15) 0.26728(16) 0.09892(13) 0.0404(6) Uani 1 1 d . . .
H26A H 0.1799 0.2723 0.0745 0.048 Uiso 1 1 calc R . .
H26B H 0.0878 0.2917 0.0716 0.048 Uiso 1 1 calc R . .
C27 C 0.11296(15) 0.17521(15) 0.11769(13) 0.0388(6) Uani 1 1 d . . .
H27A H 0.0849 0.1459 0.0814 0.047 Uiso 1 1 calc R . .
H27B H 0.1615 0.1441 0.1275 0.047 Uiso 1 1 calc R . .
C28 C 0.06222(13) 0.18262(14) 0.17973(12) 0.0322(5) Uani 1 1 d . . .
H28A H 0.0067 0.1757 0.1680 0.039 Uiso 1 1 calc R . .
H28B H 0.0765 0.1387 0.2127 0.039 Uiso 1 1 calc R . .
C29 C 0.09810(19) 0.3860(3) 0.36403(19) 0.0800(12) Uani 1 1 d . . .
H29A H 0.1524 0.3896 0.3480 0.096 Uiso 1 1 calc R . .
H29B H 0.0867 0.3264 0.3753 0.096 Uiso 1 1 calc R . .
C30 C 0.08726(18) 0.44125(17) 0.42439(15) 0.0512(7) Uani 1 1 d . . .
H30A H 0.1311 0.4812 0.4294 0.061 Uiso 1 1 calc R . .
H30B H 0.0830 0.4068 0.4654 0.061 Uiso 1 1 calc R . .
C31 C 0.01155(15) 0.48820(16) 0.41032(13) 0.0404(6) Uani 1 1 d . . .
H31A H -0.0339 0.4561 0.4268 0.048 Uiso 1 1 calc R . .
H31B H 0.0117 0.5450 0.4309 0.048 Uiso 1 1 calc R . .
C32 C 0.01142(14) 0.49389(15) 0.33538(12) 0.0363(5) Uani 1 1 d . . .
H32A H -0.0422 0.4999 0.3182 0.044 Uiso 1 1 calc R . .
H32B H 0.0427 0.5427 0.3201 0.044 Uiso 1 1 calc R . .


_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 N2 2.2825(16) . ?
Dy1 N2 2.2825(16) 3 ?
Dy1 N1 2.2947(15) 3 ?
Dy1 N1 2.2948(15) . ?
Dy1 C14 2.9155(19) 3 ?
Dy1 C7 2.9402(18) 3 ?
Li1 O2 1.930(4) 3 ?
Li1 O2 1.930(4) . ?
Li1 O1 1.941(3) . ?
Li1 O1 1.941(3) 3 ?
N1 C1 1.388(2) . ?
N1 C7 1.419(2) . ?
N2 C19 1.398(2) . ?
N2 C14 1.403(3) . ?
O1 C28 1.452(2) . ?
O1 C25 1.453(3) . ?
O2 C29 1.435(4) . ?
O2 C32 1.448(3) . ?
C1 C6 1.404(3) . ?
C1 C2 1.413(3) . ?
C2 C3 1.387(3) . ?
C3 C4 1.389(3) . ?
C4 C5 1.387(3) . ?
C5 C6 1.383(3) . ?
C7 C8 1.401(3) . ?
C7 C12 1.407(3) . ?
C8 C9 1.394(3) . ?
C9 C10 1.378(3) . ?
C10 C11 1.394(3) . ?
C11 C12 1.382(3) . ?
C13 C18 1.389(3) . ?
C13 C14 1.403(3) . ?
C14 C15 1.413(3) . ?
C15 C16 1.379(3) . ?
C16 C17 1.401(3) . ?
C17 C18 1.382(3) . ?
C19 C24 1.404(3) . ?
C19 C20 1.408(3) . ?
C20 C21 1.389(3) . ?
C21 C22 1.390(3) . ?
C22 C23 1.378(3) . ?
C23 C24 1.395(3) . ?
C25 C26 1.498(3) . ?
C26 C27 1.534(4) . ?
C27 C28 1.525(3) . ?
C29 C30 1.506(4) . ?
C30 C31 1.526(4) . ?
C31 C32 1.507(4) . ?

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
N2 Dy1 N2 103.62(8) . 3 ?
N2 Dy1 N1 134.09(6) . 3 ?
N2 Dy1 N1 93.84(6) 3 3 ?
N2 Dy1 N1 93.84(6) . . ?
N2 Dy1 N1 134.09(6) 3 . ?
N1 Dy1 N1 103.84(7) 3 . ?
N2 Dy1 C14 105.69(6) . 3 ?
N2 Dy1 C14 28.09(6) 3 3 ?
N1 Dy1 C14 109.15(5) 3 3 ?
N1 Dy1 C14 106.40(6) . 3 ?
N2 Dy1 C7 161.02(6) . 3 ?
N2 Dy1 C7 77.98(5) 3 3 ?
N1 Dy1 C7 28.15(5) 3 3 ?
N1 Dy1 C7 98.41(5) . 3 ?
C14 Dy1 C7 84.74(5) 3 3 ?
O2 Li1 O2 101.5(3) 3 . ?
O2 Li1 O1 110.46(7) 3 . ?
O2 Li1 O1 112.86(7) . . ?
O2 Li1 O1 112.86(7) 3 3 ?
O2 Li1 O1 110.46(7) . 3 ?
O1 Li1 O1 108.6(3) . 3 ?
C1 N1 C7 118.31(15) . . ?
C1 N1 Dy1 138.74(12) . . ?
C7 N1 Dy1 102.11(11) . . ?
C19 N2 C14 119.58(16) . . ?
C19 N2 Dy1 135.26(13) . . ?
C14 N2 Dy1 101.92(11) . . ?
C28 O1 C25 109.00(16) . . ?
C28 O1 Li1 125.85(17) . . ?
C25 O1 Li1 116.85(17) . . ?
C29 O2 C32 108.4(2) . . ?
C29 O2 Li1 121.3(2) . . ?
C32 O2 Li1 125.43(17) . . ?
N1 C1 C6 119.01(17) . . ?
N1 C1 C2 124.43(17) . . ?
C6 C1 C2 116.47(17) . . ?
C3 C2 C1 121.32(19) . . ?
C2 C3 C4 121.2(2) . . ?
C5 C4 C3 118.01(19) . . ?
C6 C5 C4 121.43(19) . . ?
C5 C6 C1 121.54(19) . . ?
C8 C7 C12 117.66(17) . . ?
C8 C7 N1 118.94(17) . . ?
C12 C7 N1 123.26(17) . . ?
C9 C8 C7 120.72(19) . . ?
C10 C9 C8 120.76(19) . . ?
C9 C10 C11 119.33(18) . . ?
C12 C11 C10 120.31(19) . . ?
C11 C12 C7 121.21(19) . . ?
C18 C13 C14 121.82(19) . . ?
N2 C14 C13 118.81(18) . . ?
N2 C14 C15 123.96(18) . . ?
C13 C14 C15 116.91(19) . . ?
C16 C15 C14 121.1(2) . . ?
C15 C16 C17 120.9(2) . . ?
C18 C17 C16 118.9(2) . . ?
C17 C18 C13 120.4(2) . . ?
N2 C19 C24 123.98(19) . . ?
N2 C19 C20 119.40(17) . . ?
C24 C19 C20 116.57(19) . . ?
C21 C20 C19 121.8(2) . . ?
C20 C21 C22 120.7(2) . . ?
C23 C22 C21 118.3(2) . . ?
C22 C23 C24 121.6(2) . . ?
C23 C24 C19 121.1(2) . . ?
O1 C25 C26 105.59(19) . . ?
C25 C26 C27 101.7(2) . . ?
C28 C27 C26 103.76(19) . . ?
O1 C28 C27 106.11(18) . . ?
O2 C29 C30 107.8(2) . . ?
C29 C30 C31 103.9(2) . . ?
C32 C31 C30 102.4(2) . . ?
O2 C32 C31 104.7(2) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.52
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.899
_refine_diff_density_min         -0.473
_refine_diff_density_rms         0.060
####################################################################### 
# 
# 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 1469848'
_audit_update_record             
;
2016-03-21 deposited with the CCDC.
2016-06-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C73 H63 Dy Li N O4'
_chemical_formula_weight         1187.68

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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/n  '

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

_cell_length_a                   17.1728(13)
_cell_length_b                   18.0592(13)
_cell_length_c                   19.3313(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.0640(10)
_cell_angle_gamma                90.00
_cell_volume                     5971.8(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9548
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      27.63

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            YELLOW
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.321
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2436
_exptl_absorpt_coefficient_mu    1.302
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            67577
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0289
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.55
_diffrn_reflns_theta_max         27.67
_reflns_number_total             13802
_reflns_number_gt                11085
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0022P)²+23.8117P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13802
_refine_ls_number_parameters     721
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0552
_refine_ls_wR_factor_ref         0.1105
_refine_ls_wR_factor_gt          0.1031
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_restrained_S_all      1.186
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy -0.027623(12) 0.722155(12) 0.228503(11) 0.03305(6) Uani 1 1 d . . .
Li1 Li 0.0815(5) 0.8483(5) 0.2688(5) 0.054(2) Uani 1 1 d . . .
N1 N -0.1047(3) 0.6939(2) 0.1304(2) 0.0477(10) Uani 1 1 d . . .
O1 O -0.02342(17) 0.82721(18) 0.28578(16) 0.0393(7) Uani 1 1 d . . .
O2 O -0.01498(19) 0.63462(19) 0.29753(17) 0.0440(8) Uani 1 1 d . . .
O3 O 0.08725(18) 0.76239(17) 0.21206(16) 0.0380(7) Uani 1 1 d . . .
O4 O 0.1568(2) 0.9091(2) 0.3186(2) 0.0650(11) Uani 1 1 d . . .
C1 C -0.0815(3) 0.8733(3) 0.3108(2) 0.0382(10) Uani 1 1 d . . .
C2 C -0.0701(3) 0.9531(3) 0.2857(3) 0.0415(11) Uani 1 1 d . . .
C3 C -0.0412(3) 0.9660(3) 0.2227(3) 0.0529(13) Uani 1 1 d . . .
H3 H -0.0241 0.9255 0.1966 0.063 Uiso 1 1 calc R . .
C4 C -0.0368(4) 1.0377(4) 0.1968(4) 0.0712(18) Uani 1 1 d . . .
H4 H -0.0170 1.0458 0.1531 0.085 Uiso 1 1 calc R . .
C5 C -0.0609(4) 1.0968(4) 0.2343(4) 0.074(2) Uani 1 1 d . . .
H5 H -0.0579 1.1457 0.2166 0.089 Uiso 1 1 calc R . .
C6 C -0.0890(4) 1.0848(3) 0.2964(4) 0.0743(19) Uani 1 1 d . . .
H6 H -0.1056 1.1256 0.3225 0.089 Uiso 1 1 calc R . .
C7 C -0.0939(3) 1.0137(3) 0.3226(3) 0.0563(14) Uani 1 1 d . . .
H7 H -0.1139 1.0063 0.3663 0.068 Uiso 1 1 calc R . .
C8 C -0.0727(3) 0.8695(3) 0.3909(3) 0.0429(11) Uani 1 1 d . . .
C9 C -0.0028(4) 0.8940(4) 0.4256(3) 0.0619(15) Uani 1 1 d . . .
H9 H 0.0381 0.9109 0.3995 0.074 Uiso 1 1 calc R . .
C10 C 0.0082(4) 0.8939(5) 0.4971(3) 0.081(2) Uani 1 1 d . . .
H10 H 0.0562 0.9108 0.5199 0.097 Uiso 1 1 calc R . .
C11 C -0.0498(5) 0.8695(5) 0.5351(4) 0.091(2) Uani 1 1 d . . .
H11 H -0.0422 0.8692 0.5844 0.109 Uiso 1 1 calc R . .
C12 C -0.1183(5) 0.8457(5) 0.5025(4) 0.089(2) Uani 1 1 d . . .
H12 H -0.1587 0.8288 0.5292 0.107 Uiso 1 1 calc R . .
C13 C -0.1301(4) 0.8458(4) 0.4308(3) 0.0622(16) Uani 1 1 d . . .
H13 H -0.1786 0.8292 0.4088 0.075 Uiso 1 1 calc R . .
C14 C -0.1620(3) 0.8437(3) 0.2804(3) 0.0409(11) Uani 1 1 d . . .
C15 C -0.1782(3) 0.7680(3) 0.2848(3) 0.0510(13) Uani 1 1 d . . .
H15 H -0.1420 0.7367 0.3108 0.061 Uiso 1 1 calc R . .
C16 C -0.2457(4) 0.7378(3) 0.2521(4) 0.0690(17) Uani 1 1 d . . .
H16 H -0.2550 0.6860 0.2548 0.083 Uiso 1 1 calc R . .
C17 C -0.2994(4) 0.7827(4) 0.2158(4) 0.080(2) Uani 1 1 d . . .
H17 H -0.3457 0.7621 0.1931 0.096 Uiso 1 1 calc R . .
C18 C -0.2858(4) 0.8574(4) 0.2124(4) 0.0692(18) Uani 1 1 d . . .
H18 H -0.3234 0.8888 0.1881 0.083 Uiso 1 1 calc R . .
C19 C -0.2174(3) 0.8874(3) 0.2443(3) 0.0510(13) Uani 1 1 d . . .
H19 H -0.2086 0.9392 0.2412 0.061 Uiso 1 1 calc R . .
C20 C 0.1505(3) 0.7544(2) 0.1706(2) 0.0356(10) Uani 1 1 d . . .
C21 C 0.1672(3) 0.8322(3) 0.1425(2) 0.0387(10) Uani 1 1 d . . .
C22 C 0.1081(3) 0.8655(3) 0.0998(3) 0.0508(13) Uani 1 1 d . . .
H22 H 0.0615 0.8387 0.0865 0.061 Uiso 1 1 calc R . .
C23 C 0.1159(4) 0.9373(3) 0.0763(3) 0.0628(16) Uani 1 1 d . . .
H23 H 0.0748 0.9594 0.0474 0.075 Uiso 1 1 calc R . .
C24 C 0.1828(4) 0.9766(3) 0.0946(3) 0.0654(17) Uani 1 1 d . . .
H24 H 0.1883 1.0256 0.0779 0.078 Uiso 1 1 calc R . .
C25 C 0.2416(4) 0.9449(3) 0.1370(3) 0.0636(16) Uani 1 1 d . . .
H25 H 0.2879 0.9722 0.1501 0.076 Uiso 1 1 calc R . .
C26 C 0.2337(3) 0.8729(3) 0.1609(3) 0.0495(12) Uani 1 1 d . . .
H26 H 0.2748 0.8514 0.1904 0.059 Uiso 1 1 calc R . .
C27 C 0.2218(3) 0.7210(3) 0.2138(2) 0.0381(10) Uani 1 1 d . . .
C28 C 0.2166(3) 0.6984(3) 0.2816(3) 0.0516(13) Uani 1 1 d . . .
H28 H 0.1688 0.7042 0.3023 0.062 Uiso 1 1 calc R . .
C29 C 0.2805(4) 0.6672(4) 0.3197(3) 0.0681(17) Uani 1 1 d . . .
H29 H 0.2760 0.6521 0.3663 0.082 Uiso 1 1 calc R . .
C30 C 0.3498(4) 0.6580(4) 0.2914(3) 0.0692(18) Uani 1 1 d . . .
H30 H 0.3934 0.6372 0.3182 0.083 Uiso 1 1 calc R . .
C31 C 0.3559(3) 0.6788(3) 0.2239(3) 0.0613(16) Uani 1 1 d . . .
H31 H 0.4038 0.6719 0.2035 0.074 Uiso 1 1 calc R . .
C32 C 0.2924(3) 0.7101(3) 0.1853(3) 0.0495(12) Uani 1 1 d . . .
H32 H 0.2972 0.7243 0.1386 0.059 Uiso 1 1 calc R . .
C33 C 0.1286(3) 0.6981(3) 0.1120(2) 0.0402(11) Uani 1 1 d . . .
C34 C 0.1490(3) 0.7066(3) 0.0447(3) 0.0558(14) Uani 1 1 d . . .
H34 H 0.1761 0.7498 0.0323 0.067 Uiso 1 1 calc R . .
C35 C 0.1297(4) 0.6519(4) -0.0049(3) 0.076(2) Uani 1 1 d . . .
H35 H 0.1445 0.6577 -0.0508 0.091 Uiso 1 1 calc R . .
C36 C 0.0895(4) 0.5896(4) 0.0123(4) 0.078(2) Uani 1 1 d . . .
H36 H 0.0758 0.5530 -0.0220 0.094 Uiso 1 1 calc R . .
C37 C 0.0694(4) 0.5804(3) 0.0782(4) 0.0663(17) Uani 1 1 d . . .
H37 H 0.0417 0.5374 0.0902 0.080 Uiso 1 1 calc R . .
C38 C 0.0894(3) 0.6338(3) 0.1277(3) 0.0486(12) Uani 1 1 d . . .
H38 H 0.0759 0.6264 0.1738 0.058 Uiso 1 1 calc R . .
C39 C -0.0111(3) 0.5902(3) 0.3574(2) 0.0400(11) Uani 1 1 d . . .
C40 C 0.0572(3) 0.6179(3) 0.4084(2) 0.0410(11) Uani 1 1 d . . .
C41 C 0.0663(3) 0.6932(3) 0.4202(3) 0.0559(14) Uani 1 1 d . . .
H41 H 0.0310 0.7268 0.3961 0.067 Uiso 1 1 calc R . .
C42 C 0.1254(4) 0.7205(4) 0.4662(3) 0.0665(16) Uani 1 1 d . . .
H42 H 0.1306 0.7724 0.4733 0.080 Uiso 1 1 calc R . .
C43 C 0.1773(4) 0.6722(4) 0.5020(3) 0.0674(17) Uani 1 1 d . . .
H43 H 0.2183 0.6908 0.5335 0.081 Uiso 1 1 calc R . .
C44 C 0.1689(3) 0.5979(4) 0.4917(3) 0.0621(16) Uani 1 1 d . . .
H44 H 0.2040 0.5646 0.5164 0.074 Uiso 1 1 calc R . .
C45 C 0.1094(3) 0.5704(3) 0.4452(3) 0.0498(13) Uani 1 1 d . . .
H45 H 0.1044 0.5184 0.4385 0.060 Uiso 1 1 calc R . .
C46 C -0.0907(3) 0.5966(3) 0.3889(3) 0.0442(12) Uani 1 1 d . . .
C47 C -0.0994(4) 0.6223(3) 0.4547(3) 0.0615(15) Uani 1 1 d . . .
H47 H -0.0546 0.6366 0.4841 0.074 Uiso 1 1 calc R . .
C48 C -0.1733(5) 0.6276(4) 0.4784(4) 0.082(2) Uani 1 1 d . . .
H48 H -0.1785 0.6461 0.5238 0.099 Uiso 1 1 calc R . .
C49 C -0.2380(4) 0.6070(4) 0.4379(5) 0.084(2) Uani 1 1 d . . .
H49 H -0.2882 0.6107 0.4549 0.101 Uiso 1 1 calc R . .
C50 C -0.2306(4) 0.5806(4) 0.3723(4) 0.076(2) Uani 1 1 d . . .
H50 H -0.2757 0.5659 0.3437 0.091 Uiso 1 1 calc R . .
C51 C -0.1577(3) 0.5754(3) 0.3479(3) 0.0584(15) Uani 1 1 d . . .
H51 H -0.1532 0.5571 0.3024 0.070 Uiso 1 1 calc R . .
C52 C 0.0015(3) 0.5087(3) 0.3376(3) 0.0418(11) Uani 1 1 d . . .
C53 C 0.0369(4) 0.4898(3) 0.2788(3) 0.0651(17) Uani 1 1 d . . .
H53 H 0.0543 0.5277 0.2497 0.078 Uiso 1 1 calc R . .
C54 C 0.0474(4) 0.4159(4) 0.2616(4) 0.086(2) Uani 1 1 d . . .
H54 H 0.0703 0.4039 0.2200 0.103 Uiso 1 1 calc R . .
C55 C 0.0253(4) 0.3606(4) 0.3034(4) 0.080(2) Uani 1 1 d . . .
H55 H 0.0335 0.3103 0.2916 0.096 Uiso 1 1 calc R . .
C56 C -0.0086(4) 0.3779(3) 0.3622(4) 0.0682(17) Uani 1 1 d . . .
H56 H -0.0239 0.3395 0.3918 0.082 Uiso 1 1 calc R . .
C57 C -0.0207(3) 0.4508(3) 0.3791(3) 0.0528(13) Uani 1 1 d . . .
H57 H -0.0450 0.4619 0.4202 0.063 Uiso 1 1 calc R . .
C58 C -0.0995(3) 0.7473(3) 0.0781(3) 0.0489(13) Uani 1 1 d . . .
C59 C -0.1117(3) 0.8215(3) 0.0921(3) 0.0588(15) Uani 1 1 d . . .
H59 H -0.1294 0.8351 0.1355 0.071 Uiso 1 1 calc R . .
C60 C -0.0987(4) 0.8762(4) 0.0442(4) 0.0694(18) Uani 1 1 d . . .
H60 H -0.1065 0.9268 0.0555 0.083 Uiso 1 1 calc R . .
C61 C -0.0750(4) 0.8579(4) -0.0186(4) 0.078(2) Uani 1 1 d . . .
H61 H -0.0665 0.8954 -0.0516 0.094 Uiso 1 1 calc R . .
C62 C -0.0633(5) 0.7846(4) -0.0341(3) 0.083(2) Uani 1 1 d . . .
H62 H -0.0466 0.7717 -0.0781 0.099 Uiso 1 1 calc R . .
C63 C -0.0755(4) 0.7296(4) 0.0131(3) 0.0677(17) Uani 1 1 d . . .
H63 H -0.0675 0.6793 0.0013 0.081 Uiso 1 1 calc R . .
C64 C -0.2089(4) 0.6237(5) 0.0646(4) 0.079(2) Uani 1 1 d . . .
H64 H -0.2242 0.6658 0.0371 0.094 Uiso 1 1 calc R . .
C65 C -0.1454(3) 0.6288(3) 0.1148(3) 0.0530(14) Uani 1 1 d . . .
C66 C -0.1260(4) 0.5647(4) 0.1528(3) 0.0662(17) Uani 1 1 d . . .
H66 H -0.0829 0.5659 0.1871 0.079 Uiso 1 1 calc R . .
C67 C -0.1672(5) 0.4998(4) 0.1421(5) 0.094(3) Uani 1 1 d . . .
H67 H -0.1528 0.4572 0.1691 0.113 Uiso 1 1 calc R . .
C68 C -0.2288(6) 0.4968(6) 0.0924(6) 0.116(4) Uani 1 1 d . . .
H68 H -0.2570 0.4519 0.0844 0.139 Uiso 1 1 calc R . .
C69 C -0.2497(5) 0.5580(7) 0.0544(5) 0.111(3) Uani 1 1 d . . .
H69 H -0.2930 0.5557 0.0204 0.133 Uiso 1 1 calc R . .
C70 C 0.1607(4) 0.9881(4) 0.3120(5) 0.089(2) Uani 1 1 d U . .
H70A H 0.1154 1.0118 0.3314 0.107 Uiso 1 1 calc R . .
H70B H 0.1608 1.0025 0.2626 0.107 Uiso 1 1 calc R . .
C71 C 0.2255(5) 0.8836(4) 0.3579(4) 0.094(3) Uani 1 1 d . . .
H71A H 0.2489 0.8419 0.3337 0.113 Uiso 1 1 calc R . .
H71B H 0.2129 0.8664 0.4042 0.113 Uiso 1 1 calc R . .
C72 C 0.2806(5) 0.9464(5) 0.3651(5) 0.105(3) Uani 1 1 d U . .
H72A H 0.3072 0.9483 0.4126 0.127 Uiso 1 1 calc R . .
H72B H 0.3206 0.9420 0.3314 0.127 Uiso 1 1 calc R . .
C73 C 0.2338(5) 1.0105(5) 0.3512(6) 0.120(3) Uani 1 1 d U . .
H73A H 0.2619 1.0465 0.3239 0.145 Uiso 1 1 calc R . .
H73B H 0.2225 1.0344 0.3953 0.145 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O2 2.068(3) . ?
Dy1 O3 2.152(3) . ?
Dy1 O1 2.195(3) . ?
Dy1 N1 2.273(4) . ?
Dy1 Li1 3.009(9) . ?
Li1 O4 1.893(10) . ?
Li1 O1 1.898(9) . ?
Li1 O3 1.908(10) . ?
N1 C65 1.388(7) . ?
N1 C58 1.406(7) . ?
O1 C1 1.417(5) . ?
O2 C39 1.405(5) . ?
O3 C20 1.413(5) . ?
O4 C71 1.423(8) . ?
O4 C70 1.435(8) . ?
C1 C2 1.538(7) . ?
C1 C8 1.542(7) . ?
C1 C14 1.549(7) . ?
C2 C3 1.375(7) . ?
C2 C7 1.387(7) . ?
C3 C4 1.394(8) . ?
C4 C5 1.375(10) . ?
C5 C6 1.350(10) . ?
C6 C7 1.386(8) . ?
C8 C13 1.373(7) . ?
C8 C9 1.395(7) . ?
C9 C10 1.378(8) . ?
C10 C11 1.361(10) . ?
C11 C12 1.356(10) . ?
C12 C13 1.383(9) . ?
C14 C19 1.378(7) . ?
C14 C15 1.400(7) . ?
C15 C16 1.383(8) . ?
C16 C17 1.373(9) . ?
C17 C18 1.373(9) . ?
C18 C19 1.388(8) . ?
C20 C27 1.541(6) . ?
C20 C21 1.542(6) . ?
C20 C33 1.545(6) . ?
C21 C26 1.378(7) . ?
C21 C22 1.389(7) . ?
C22 C23 1.383(7) . ?
C23 C24 1.369(9) . ?
C24 C25 1.368(9) . ?
C25 C26 1.391(7) . ?
C27 C28 1.383(7) . ?
C27 C32 1.390(7) . ?
C28 C29 1.386(8) . ?
C29 C30 1.363(9) . ?
C30 C31 1.371(9) . ?
C31 C32 1.386(7) . ?
C33 C34 1.384(7) . ?
C33 C38 1.389(7) . ?
C34 C35 1.397(8) . ?
C35 C36 1.376(10) . ?
C36 C37 1.360(9) . ?
C37 C38 1.381(7) . ?
C39 C52 1.542(7) . ?
C39 C40 1.547(7) . ?
C39 C46 1.549(7) . ?
C40 C41 1.386(7) . ?
C40 C45 1.390(7) . ?
C41 C42 1.381(8) . ?
C42 C43 1.388(9) . ?
C43 C44 1.363(9) . ?
C44 C45 1.392(8) . ?
C46 C47 1.374(8) . ?
C46 C51 1.393(7) . ?
C47 C48 1.391(9) . ?
C48 C49 1.354(10) . ?
C49 C50 1.371(10) . ?
C50 C51 1.379(8) . ?
C52 C53 1.380(7) . ?
C52 C57 1.391(7) . ?
C53 C54 1.391(9) . ?
C54 C55 1.361(10) . ?
C55 C56 1.359(10) . ?
C56 C57 1.377(8) . ?
C58 C59 1.386(8) . ?
C58 C63 1.394(8) . ?
C59 C60 1.385(8) . ?
C60 C61 1.355(9) . ?
C61 C62 1.376(10) . ?
C62 C63 1.377(9) . ?
C64 C69 1.382(11) . ?
C64 C65 1.398(8) . ?
C65 C66 1.395(9) . ?
C66 C67 1.375(9) . ?
C67 C68 1.365(13) . ?
C68 C69 1.358(14) . ?
C70 C73 1.465(10) . ?
C71 C72 1.474(10) . ?
C72 C73 1.422(11) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Dy1 O3 107.94(12) . . ?
O2 Dy1 O1 109.78(13) . . ?
O3 Dy1 O1 78.04(11) . . ?
O2 Dy1 N1 112.76(15) . . ?
O3 Dy1 N1 115.25(14) . . ?
O1 Dy1 N1 127.30(14) . . ?
O2 Dy1 Li1 112.6(2) . . ?
O3 Dy1 Li1 39.16(18) . . ?
O1 Dy1 Li1 38.97(18) . . ?
N1 Dy1 Li1 133.6(2) . . ?
O4 Li1 O1 130.2(5) . . ?
O4 Li1 O3 134.1(5) . . ?
O1 Li1 O3 92.0(4) . . ?
O4 Li1 Dy1 162.3(5) . . ?
O1 Li1 Dy1 46.7(2) . . ?
O3 Li1 Dy1 45.4(2) . . ?
C65 N1 C58 119.2(4) . . ?
C65 N1 Dy1 128.1(4) . . ?
C58 N1 Dy1 112.1(3) . . ?
C1 O1 Li1 130.4(4) . . ?
C1 O1 Dy1 133.4(3) . . ?
Li1 O1 Dy1 94.4(3) . . ?
C39 O2 Dy1 164.3(3) . . ?
C20 O3 Li1 119.4(4) . . ?
C20 O3 Dy1 144.1(3) . . ?
Li1 O3 Dy1 95.4(3) . . ?
C71 O4 C70 109.1(5) . . ?
C71 O4 Li1 125.5(5) . . ?
C70 O4 Li1 124.5(5) . . ?
O1 C1 C2 109.2(4) . . ?
O1 C1 C8 107.9(4) . . ?
C2 C1 C8 110.7(4) . . ?
O1 C1 C14 107.4(4) . . ?
C2 C1 C14 109.7(4) . . ?
C8 C1 C14 111.8(4) . . ?
C3 C2 C7 117.8(5) . . ?
C3 C2 C1 120.3(5) . . ?
C7 C2 C1 121.7(5) . . ?
C2 C3 C4 120.7(6) . . ?
C5 C4 C3 120.3(6) . . ?
C6 C5 C4 119.5(6) . . ?
C5 C6 C7 120.8(6) . . ?
C6 C7 C2 120.9(6) . . ?
C13 C8 C9 117.2(5) . . ?
C13 C8 C1 124.5(5) . . ?
C9 C8 C1 118.2(5) . . ?
C10 C9 C8 121.2(6) . . ?
C11 C10 C9 120.0(7) . . ?
C12 C11 C10 119.8(7) . . ?
C11 C12 C13 120.6(7) . . ?
C8 C13 C12 121.1(6) . . ?
C19 C14 C15 117.4(5) . . ?
C19 C14 C1 123.2(4) . . ?
C15 C14 C1 119.3(4) . . ?
C16 C15 C14 121.3(5) . . ?
C17 C16 C15 119.9(6) . . ?
C16 C17 C18 119.8(6) . . ?
C17 C18 C19 120.2(6) . . ?
C14 C19 C18 121.4(5) . . ?
O3 C20 C27 110.2(4) . . ?
O3 C20 C21 106.4(3) . . ?
C27 C20 C21 112.6(4) . . ?
O3 C20 C33 109.4(4) . . ?
C27 C20 C33 105.7(4) . . ?
C21 C20 C33 112.4(4) . . ?
C26 C21 C22 117.9(5) . . ?
C26 C21 C20 124.7(4) . . ?
C22 C21 C20 117.1(4) . . ?
C23 C22 C21 120.9(5) . . ?
C24 C23 C22 120.3(6) . . ?
C25 C24 C23 119.7(5) . . ?
C24 C25 C26 120.2(6) . . ?
C21 C26 C25 121.0(5) . . ?
C28 C27 C32 117.7(5) . . ?
C28 C27 C20 121.0(4) . . ?
C32 C27 C20 121.3(4) . . ?
C27 C28 C29 120.6(5) . . ?
C30 C29 C28 121.0(6) . . ?
C29 C30 C31 119.5(5) . . ?
C30 C31 C32 120.0(6) . . ?
C31 C32 C27 121.2(5) . . ?
C34 C33 C38 117.8(5) . . ?
C34 C33 C20 123.4(5) . . ?
C38 C33 C20 118.7(4) . . ?
C33 C34 C35 120.1(6) . . ?
C36 C35 C34 120.4(6) . . ?
C37 C36 C35 120.0(6) . . ?
C36 C37 C38 119.7(6) . . ?
C37 C38 C33 121.8(6) . . ?
O2 C39 C52 109.8(4) . . ?
O2 C39 C40 108.6(4) . . ?
C52 C39 C40 110.6(4) . . ?
O2 C39 C46 107.6(4) . . ?
C52 C39 C46 108.5(4) . . ?
C40 C39 C46 111.7(4) . . ?
C41 C40 C45 117.6(5) . . ?
C41 C40 C39 119.3(4) . . ?
C45 C40 C39 123.0(5) . . ?
C42 C41 C40 121.5(5) . . ?
C41 C42 C43 120.0(6) . . ?
C44 C43 C42 119.4(6) . . ?
C43 C44 C45 120.6(6) . . ?
C40 C45 C44 120.9(5) . . ?
C47 C46 C51 117.9(5) . . ?
C47 C46 C39 124.1(5) . . ?
C51 C46 C39 118.0(5) . . ?
C46 C47 C48 120.3(6) . . ?
C49 C48 C47 121.2(7) . . ?
C48 C49 C50 119.4(6) . . ?
C49 C50 C51 120.1(7) . . ?
C50 C51 C46 121.1(6) . . ?
C53 C52 C57 117.0(5) . . ?
C53 C52 C39 121.4(5) . . ?
C57 C52 C39 121.6(5) . . ?
C52 C53 C54 120.6(6) . . ?
C55 C54 C53 120.9(7) . . ?
C56 C55 C54 119.4(7) . . ?
C55 C56 C57 120.2(6) . . ?
C56 C57 C52 121.8(6) . . ?
C59 C58 C63 117.3(6) . . ?
C59 C58 N1 120.2(5) . . ?
C63 C58 N1 122.2(5) . . ?
C60 C59 C58 121.6(6) . . ?
C61 C60 C59 120.2(6) . . ?
C60 C61 C62 119.4(6) . . ?
C61 C62 C63 121.0(7) . . ?
C62 C63 C58 120.4(6) . . ?
C69 C64 C65 120.6(8) . . ?
N1 C65 C66 119.7(5) . . ?
N1 C65 C64 123.6(6) . . ?
C66 C65 C64 116.6(6) . . ?
C67 C66 C65 122.1(7) . . ?
C68 C67 C66 119.7(9) . . ?
C69 C68 C67 120.0(8) . . ?
C68 C69 C64 121.0(8) . . ?
O4 C70 C73 105.8(6) . . ?
O4 C71 C72 107.2(6) . . ?
C73 C72 C71 105.2(7) . . ?
C72 C73 C70 108.5(7) . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        27.67
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         2.018
_refine_diff_density_min         -1.888
_refine_diff_density_rms         0.103
