# Electronic Supplementary Material (ESI) for RSC Advances.
# 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 1487903'
_audit_update_record             
;
2016-06-28 deposited with the CCDC.
2016-10-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        1
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C68 H66 N4 O18 Sm2'
_chemical_formula_weight         1527.95

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   p-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.1124(5)
_cell_length_b                   11.4404(5)
_cell_length_c                   13.6416(7)
_cell_angle_alpha                94.2910(10)
_cell_angle_beta                 112.9100(10)
_cell_angle_gamma                97.5240(10)
_cell_volume                     1568.60(13)
_cell_formula_units_Z            1
_cell_measurement_temperature    185(2)
_cell_measurement_reflns_used    5561
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      26.03

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             770
_exptl_absorpt_coefficient_mu    1.931
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7105
_exptl_absorpt_correction_T_max  0.7738
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      185(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            8721
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0542
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.81
_diffrn_reflns_theta_max         26.03
_reflns_number_total             6099
_reflns_number_gt                5271
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0314P)²+1.3892P] 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         6099
_refine_ls_number_parameters     417
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0338
_refine_ls_wR_factor_ref         0.0765
_refine_ls_wR_factor_gt          0.0721
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.024
_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
Sm1 Sm 0.597989(19) 0.176290(18) 0.416445(17) 0.01452(7) Uani 1 1 d . . .
N1 N 0.6305(3) 0.3606(3) 0.5480(3) 0.0176(7) Uani 1 1 d . . .
N2 N 1.0098(3) 0.1872(3) 0.4512(3) 0.0201(7) Uani 1 1 d . . .
O1 O 0.8166(2) 0.2706(2) 0.4793(2) 0.0173(6) Uani 1 1 d . . .
H1 H 0.8588 0.2330 0.4402 0.021 Uiso 1 1 calc R . .
O2 O 0.4298(3) 0.1691(2) 0.5078(2) 0.0190(6) Uani 1 1 d . . .
H2 H 0.3542 0.1079 0.4854 0.023 Uiso 1 1 calc R . .
O3 O 1.1412(4) 0.2289(3) 0.3030(4) 0.0516(11) Uani 1 1 d . . .
H3 H 1.2154 0.2140 0.3083 0.077 Uiso 1 1 calc R . .
O4 O 0.7294(3) 0.0227(2) 0.3833(2) 0.0228(6) Uani 1 1 d . . .
O5 O 0.6040(3) 0.1020(2) 0.2443(2) 0.0207(6) Uani 1 1 d . . .
O8 O 0.4536(3) -0.0093(2) 0.3634(2) 0.0182(6) Uani 1 1 d . . .
O6 O 0.5782(3) 0.3525(2) 0.3158(2) 0.0222(6) Uani 1 1 d . . .
O7 O 0.3902(3) 0.2383(2) 0.2909(2) 0.0205(6) Uani 1 1 d . . .
O9 O 0.3022(3) -0.1061(2) 0.4117(2) 0.0200(6) Uani 1 1 d . . .
C1 C 0.9021(4) 0.3565(3) 0.5488(3) 0.0172(8) Uani 1 1 d . . .
C2 C 0.8684(4) 0.4382(3) 0.6127(3) 0.0168(8) Uani 1 1 d . . .
C3 C 0.9666(4) 0.5271(3) 0.6858(3) 0.0205(9) Uani 1 1 d . . .
H3A H 0.9418 0.5799 0.7289 0.025 Uiso 1 1 calc R . .
C4 C 1.1004(4) 0.5439(4) 0.7001(3) 0.0202(9) Uani 1 1 d . . .
C5 C 1.1319(4) 0.4652(4) 0.6371(3) 0.0192(9) Uani 1 1 d . . .
H5 H 1.2210 0.4746 0.6433 0.023 Uiso 1 1 calc R . .
C6 C 1.0385(4) 0.3710(3) 0.5635(3) 0.0171(8) Uani 1 1 d . . .
C7 C 0.7343(4) 0.4354(3) 0.6071(3) 0.0194(9) Uani 1 1 d . . .
H7 H 0.7230 0.4961 0.6525 0.023 Uiso 1 1 calc R . .
C8 C 0.5070(4) 0.3747(4) 0.5599(3) 0.0197(9) Uani 1 1 d . . .
H8A H 0.4397 0.3891 0.4909 0.024 Uiso 1 1 calc R . .
H8B H 0.5238 0.4434 0.6149 0.024 Uiso 1 1 calc R . .
C9 C 0.4580(4) 0.2622(4) 0.5933(3) 0.0216(9) Uani 1 1 d . . .
H9A H 0.5266 0.2455 0.6606 0.026 Uiso 1 1 calc R . .
H9B H 0.3770 0.2697 0.6055 0.026 Uiso 1 1 calc R . .
C10 C 1.1998(4) 0.6417(4) 0.7824(4) 0.0281(10) Uani 1 1 d . . .
H10A H 1.2656 0.6068 0.8382 0.042 Uiso 1 1 calc R . .
H10B H 1.1542 0.6891 0.8151 0.042 Uiso 1 1 calc R . .
H10C H 1.2444 0.6928 0.7478 0.042 Uiso 1 1 calc R . .
C11 C 1.0828(4) 0.2856(4) 0.5095(3) 0.0195(9) Uani 1 1 d . . .
H11 H 1.1722 0.3021 0.5168 0.023 Uiso 1 1 calc R . .
C12 C 1.0618(4) 0.0975(4) 0.4028(4) 0.0245(10) Uani 1 1 d . . .
H12A H 1.0093 0.0178 0.3951 0.029 Uiso 1 1 calc R . .
H12B H 1.1548 0.0963 0.4515 0.029 Uiso 1 1 calc R . .
C13 C 1.0567(5) 0.1219(4) 0.2949(4) 0.0351(12) Uani 1 1 d . . .
H13A H 1.0834 0.0551 0.2623 0.042 Uiso 1 1 calc R . .
H13B H 0.9645 0.1272 0.2471 0.042 Uiso 1 1 calc R . .
C14 C 0.6726(4) -0.0796(3) 0.2084(3) 0.0191(9) Uani 1 1 d . . .
C15 C 0.7537(4) -0.1636(4) 0.2462(3) 0.0218(9) Uani 1 1 d . . .
H15 H 0.8096 -0.1567 0.3204 0.026 Uiso 1 1 calc R . .
C16 C 0.7527(5) -0.2571(4) 0.1755(4) 0.0304(11) Uani 1 1 d . . .
H16 H 0.8087 -0.3138 0.2016 0.037 Uiso 1 1 calc R . .
C17 C 0.6722(5) -0.2694(4) 0.0679(4) 0.0307(11) Uani 1 1 d . . .
H17 H 0.6722 -0.3342 0.0201 0.037 Uiso 1 1 calc R . .
C18 C 0.5914(5) -0.1869(4) 0.0300(4) 0.0329(11) Uani 1 1 d . . .
H18 H 0.5354 -0.1947 -0.0442 0.039 Uiso 1 1 calc R . .
C19 C 0.5916(4) -0.0925(4) 0.0999(4) 0.0271(10) Uani 1 1 d . . .
H19 H 0.5356 -0.0360 0.0731 0.033 Uiso 1 1 calc R . .
C20 C 0.6693(4) 0.0206(3) 0.2826(3) 0.0178(8) Uani 1 1 d . . .
C21 C 0.2429(4) -0.0943(3) 0.2261(3) 0.0191(9) Uani 1 1 d . . .
C22 C 0.2753(4) -0.0454(4) 0.1476(4) 0.0279(10) Uani 1 1 d . . .
H22 H 0.3586 0.0044 0.1666 0.033 Uiso 1 1 calc R . .
C23 C 0.1848(5) -0.0696(5) 0.0410(4) 0.0405(13) Uani 1 1 d . . .
H23 H 0.2063 -0.0360 -0.0130 0.049 Uiso 1 1 calc R . .
C24 C 0.0647(5) -0.1420(5) 0.0133(4) 0.0408(13) Uani 1 1 d . . .
H24 H 0.0035 -0.1585 -0.0598 0.049 Uiso 1 1 calc R . .
C25 C 0.0323(4) -0.1910(5) 0.0914(4) 0.0373(12) Uani 1 1 d . . .
H25 H -0.0512 -0.2407 0.0720 0.045 Uiso 1 1 calc R . .
C26 C 0.1214(4) -0.1675(4) 0.1972(4) 0.0255(10) Uani 1 1 d . . .
H26 H 0.0994 -0.2018 0.2507 0.031 Uiso 1 1 calc R . .
C27 C 0.3387(4) -0.0675(3) 0.3421(3) 0.0148(8) Uani 1 1 d . . .
C28 C 0.3797(4) 0.4063(3) 0.1953(3) 0.0162(8) Uani 1 1 d . . .
C29 C 0.2421(4) 0.3852(4) 0.1482(3) 0.0216(9) Uani 1 1 d . . .
H29 H 0.1941 0.3157 0.1587 0.026 Uiso 1 1 calc R . .
C30 C 0.1747(5) 0.4646(4) 0.0863(4) 0.0342(11) Uani 1 1 d . . .
H30 H 0.0804 0.4492 0.0545 0.041 Uiso 1 1 calc R . .
C31 C 0.2419(5) 0.5653(4) 0.0702(4) 0.0359(12) Uani 1 1 d . . .
H31 H 0.1945 0.6208 0.0295 0.043 Uiso 1 1 calc R . .
C32 C 0.3804(5) 0.5859(4) 0.1137(4) 0.0330(11) Uani 1 1 d . . .
H32 H 0.4277 0.6540 0.1005 0.040 Uiso 1 1 calc R . .
C33 C 0.4480(4) 0.5069(4) 0.1758(4) 0.0254(10) Uani 1 1 d . . .
H33 H 0.5423 0.5210 0.2057 0.030 Uiso 1 1 calc R . .
C34 C 0.4539(4) 0.3268(3) 0.2707(3) 0.0169(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
Sm1 O1 2.314(3) . ?
Sm1 O8 2.362(3) . ?
Sm1 O9 2.420(3) 2_656 ?
Sm1 O5 2.466(3) . ?
Sm1 O6 2.509(3) . ?
Sm1 O7 2.510(3) . ?
Sm1 O4 2.548(3) . ?
Sm1 N1 2.555(3) . ?
Sm1 O2 2.616(3) . ?
Sm1 C20 2.853(4) . ?
Sm1 C34 2.870(4) . ?
N1 C7 1.275(5) . ?
N1 C8 1.470(5) . ?
N2 C11 1.298(5) . ?
N2 C12 1.474(5) . ?
O1 C1 1.297(5) . ?
O1 H1 0.9500 . ?
O2 C9 1.427(5) . ?
O2 H2 0.9500 . ?
O3 C13 1.411(6) . ?
O3 H3 0.8400 . ?
O4 C20 1.269(5) . ?
O5 C20 1.274(5) . ?
O8 C27 1.272(4) . ?
O6 C34 1.255(4) . ?
O7 C34 1.268(5) . ?
O9 C27 1.256(4) . ?
O9 Sm1 2.420(3) 2_656 ?
C1 C2 1.413(5) . ?
C1 C6 1.434(5) . ?
C2 C3 1.389(5) . ?
C2 C7 1.457(5) . ?
C3 C4 1.407(5) . ?
C3 H3A 0.9500 . ?
C4 C5 1.369(6) . ?
C4 C10 1.502(6) . ?
C5 C6 1.408(6) . ?
C5 H5 0.9500 . ?
C6 C11 1.429(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.503(5) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11 0.9500 . ?
C12 C13 1.500(6) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C19 1.385(6) . ?
C14 C15 1.394(5) . ?
C14 C20 1.485(5) . ?
C15 C16 1.381(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.373(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.378(6) . ?
C17 H17 0.9500 . ?
C18 C19 1.384(6) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C21 C26 1.386(5) . ?
C21 C22 1.388(6) . ?
C21 C27 1.503(5) . ?
C22 C23 1.389(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.372(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.383(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.376(6) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C28 C29 1.387(5) . ?
C28 C33 1.395(5) . ?
C28 C34 1.497(5) . ?
C29 C30 1.378(6) . ?
C29 H29 0.9500 . ?
C30 C31 1.369(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.397(6) . ?
C31 H31 0.9500 . ?
C32 C33 1.377(6) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Sm1 O8 145.26(9) . . ?
O1 Sm1 O9 77.51(9) . 2_656 ?
O8 Sm1 O9 85.25(9) . 2_656 ?
O1 Sm1 O5 90.65(9) . . ?
O8 Sm1 O5 76.38(9) . . ?
O9 Sm1 O5 127.79(9) 2_656 . ?
O1 Sm1 O6 78.01(9) . . ?
O8 Sm1 O6 127.40(9) . . ?
O9 Sm1 O6 146.08(9) 2_656 . ?
O5 Sm1 O6 75.44(9) . . ?
O1 Sm1 O7 129.94(9) . . ?
O8 Sm1 O7 80.39(9) . . ?
O9 Sm1 O7 143.29(9) 2_656 . ?
O5 Sm1 O7 81.17(9) . . ?
O6 Sm1 O7 52.07(8) . . ?
O1 Sm1 O4 73.18(9) . . ?
O8 Sm1 O4 73.44(9) . . ?
O9 Sm1 O4 75.71(9) 2_656 . ?
O5 Sm1 O4 52.33(9) . . ?
O6 Sm1 O4 118.51(9) . . ?
O7 Sm1 O4 130.42(9) . . ?
O1 Sm1 N1 71.53(10) . . ?
O8 Sm1 N1 134.00(10) . . ?
O9 Sm1 N1 78.05(10) 2_656 . ?
O5 Sm1 N1 145.51(10) . . ?
O6 Sm1 N1 72.13(10) . . ?
O7 Sm1 N1 88.02(10) . . ?
O4 Sm1 N1 139.61(9) . . ?
O1 Sm1 O2 130.37(9) . . ?
O8 Sm1 O2 69.35(9) . . ?
O9 Sm1 O2 71.70(8) 2_656 . ?
O5 Sm1 O2 138.97(9) . . ?
O6 Sm1 O2 108.33(8) . . ?
O7 Sm1 O2 71.63(9) . . ?
O4 Sm1 O2 131.75(9) . . ?
N1 Sm1 O2 64.74(9) . . ?
O1 Sm1 C20 84.64(10) . . ?
O8 Sm1 C20 69.36(10) . . ?
O9 Sm1 C20 101.37(10) 2_656 . ?
O5 Sm1 C20 26.44(10) . . ?
O6 Sm1 C20 99.33(10) . . ?
O7 Sm1 C20 104.76(10) . . ?
O4 Sm1 C20 26.40(10) . . ?
N1 Sm1 C20 155.80(11) . . ?
O2 Sm1 C20 138.56(9) . . ?
O1 Sm1 C34 103.88(10) . . ?
O8 Sm1 C34 104.07(10) . . ?
O9 Sm1 C34 155.83(10) 2_656 . ?
O5 Sm1 C34 76.35(10) . . ?
O6 Sm1 C34 25.89(9) . . ?
O7 Sm1 C34 26.19(9) . . ?
O4 Sm1 C34 128.15(10) . . ?
N1 Sm1 C34 79.58(10) . . ?
O2 Sm1 C34 90.52(9) . . ?
C20 Sm1 C34 102.79(11) . . ?
C7 N1 C8 116.9(3) . . ?
C7 N1 Sm1 131.2(3) . . ?
C8 N1 Sm1 111.8(2) . . ?
C11 N2 C12 123.0(3) . . ?
C1 O1 Sm1 142.5(2) . . ?
C1 O1 H1 108.7 . . ?
Sm1 O1 H1 108.7 . . ?
C9 O2 Sm1 116.2(2) . . ?
C9 O2 H2 121.9 . . ?
Sm1 O2 H2 121.9 . . ?
C13 O3 H3 109.5 . . ?
C20 O4 Sm1 90.4(2) . . ?
C20 O5 Sm1 94.0(2) . . ?
C27 O8 Sm1 148.2(2) . . ?
C34 O6 Sm1 93.3(2) . . ?
C34 O7 Sm1 93.0(2) . . ?
C27 O9 Sm1 137.7(2) . 2_656 ?
O1 C1 C2 123.3(3) . . ?
O1 C1 C6 119.5(4) . . ?
C2 C1 C6 117.2(4) . . ?
C3 C2 C1 119.5(4) . . ?
C3 C2 C7 116.8(4) . . ?
C1 C2 C7 123.7(4) . . ?
C2 C3 C4 124.2(4) . . ?
C2 C3 H3A 117.9 . . ?
C4 C3 H3A 117.9 . . ?
C5 C4 C3 116.0(4) . . ?
C5 C4 C10 123.8(4) . . ?
C3 C4 C10 120.2(4) . . ?
C4 C5 C6 123.0(4) . . ?
C4 C5 H5 118.5 . . ?
C6 C5 H5 118.5 . . ?
C5 C6 C11 119.1(3) . . ?
C5 C6 C1 120.2(4) . . ?
C11 C6 C1 120.5(4) . . ?
N1 C7 C2 127.4(4) . . ?
N1 C7 H7 116.3 . . ?
C2 C7 H7 116.3 . . ?
N1 C8 C9 108.0(3) . . ?
N1 C8 H8A 110.1 . . ?
C9 C8 H8A 110.1 . . ?
N1 C8 H8B 110.1 . . ?
C9 C8 H8B 110.1 . . ?
H8A C8 H8B 108.4 . . ?
O2 C9 C8 106.6(3) . . ?
O2 C9 H9A 110.4 . . ?
C8 C9 H9A 110.4 . . ?
O2 C9 H9B 110.4 . . ?
C8 C9 H9B 110.4 . . ?
H9A C9 H9B 108.6 . . ?
C4 C10 H10A 109.5 . . ?
C4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N2 C11 C6 124.7(4) . . ?
N2 C11 H11 117.7 . . ?
C6 C11 H11 117.7 . . ?
N2 C12 C13 112.3(3) . . ?
N2 C12 H12A 109.1 . . ?
C13 C12 H12A 109.1 . . ?
N2 C12 H12B 109.1 . . ?
C13 C12 H12B 109.1 . . ?
H12A C12 H12B 107.9 . . ?
O3 C13 C12 111.4(4) . . ?
O3 C13 H13A 109.3 . . ?
C12 C13 H13A 109.3 . . ?
O3 C13 H13B 109.3 . . ?
C12 C13 H13B 109.3 . . ?
H13A C13 H13B 108.0 . . ?
C19 C14 C15 118.7(4) . . ?
C19 C14 C20 120.0(4) . . ?
C15 C14 C20 121.2(4) . . ?
C16 C15 C14 119.8(4) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C17 C16 C15 121.1(4) . . ?
C17 C16 H16 119.4 . . ?
C15 C16 H16 119.4 . . ?
C16 C17 C18 119.3(4) . . ?
C16 C17 H17 120.3 . . ?
C18 C17 H17 120.3 . . ?
C17 C18 C19 120.2(4) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C18 C19 C14 120.7(4) . . ?
C18 C19 H19 119.6 . . ?
C14 C19 H19 119.6 . . ?
O4 C20 O5 120.9(4) . . ?
O4 C20 C14 119.6(3) . . ?
O5 C20 C14 119.5(4) . . ?
O4 C20 Sm1 63.2(2) . . ?
O5 C20 Sm1 59.5(2) . . ?
C14 C20 Sm1 164.9(3) . . ?
C26 C21 C22 119.6(4) . . ?
C26 C21 C27 120.1(4) . . ?
C22 C21 C27 120.3(4) . . ?
C21 C22 C23 119.6(4) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 H22 120.2 . . ?
C24 C23 C22 120.3(4) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 120.2(4) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C26 C25 C24 119.8(4) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C25 C26 C21 120.4(4) . . ?
C25 C26 H26 119.8 . . ?
C21 C26 H26 119.8 . . ?
O9 C27 O8 123.9(4) . . ?
O9 C27 C21 118.5(3) . . ?
O8 C27 C21 117.6(3) . . ?
C29 C28 C33 118.8(4) . . ?
C29 C28 C34 120.9(3) . . ?
C33 C28 C34 120.3(4) . . ?
C30 C29 C28 120.4(4) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C31 C30 C29 120.8(4) . . ?
C31 C30 H30 119.6 . . ?
C29 C30 H30 119.6 . . ?
C30 C31 C32 119.7(4) . . ?
C30 C31 H31 120.1 . . ?
C32 C31 H31 120.1 . . ?
C33 C32 C31 119.6(4) . . ?
C33 C32 H32 120.2 . . ?
C31 C32 H32 120.2 . . ?
C32 C33 C28 120.8(4) . . ?
C32 C33 H33 119.6 . . ?
C28 C33 H33 119.6 . . ?
O6 C34 O7 121.6(4) . . ?
O6 C34 C28 118.8(3) . . ?
O7 C34 C28 119.6(3) . . ?
O6 C34 Sm1 60.8(2) . . ?
O7 C34 Sm1 60.8(2) . . ?
C28 C34 Sm1 179.5(3) . . ?

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
O1 Sm1 N1 C7 -4.8(3) . . . . ?
O8 Sm1 N1 C7 147.1(3) . . . . ?
O9 Sm1 N1 C7 75.9(4) 2_656 . . . ?
O5 Sm1 N1 C7 -67.1(4) . . . . ?
O6 Sm1 N1 C7 -87.8(4) . . . . ?
O7 Sm1 N1 C7 -138.3(4) . . . . ?
O4 Sm1 N1 C7 25.5(4) . . . . ?
O2 Sm1 N1 C7 151.1(4) . . . . ?
C20 Sm1 N1 C7 -15.3(5) . . . . ?
C34 Sm1 N1 C7 -113.4(4) . . . . ?
O1 Sm1 N1 C8 179.6(3) . . . . ?
O8 Sm1 N1 C8 -28.5(3) . . . . ?
O9 Sm1 N1 C8 -99.8(3) 2_656 . . . ?
O5 Sm1 N1 C8 117.3(3) . . . . ?
O6 Sm1 N1 C8 96.6(3) . . . . ?
O7 Sm1 N1 C8 46.1(2) . . . . ?
O4 Sm1 N1 C8 -150.1(2) . . . . ?
O2 Sm1 N1 C8 -24.5(2) . . . . ?
C20 Sm1 N1 C8 169.1(3) . . . . ?
C34 Sm1 N1 C8 71.0(2) . . . . ?
O8 Sm1 O1 C1 -136.1(4) . . . . ?
O9 Sm1 O1 C1 -74.0(4) 2_656 . . . ?
O5 Sm1 O1 C1 157.3(4) . . . . ?
O6 Sm1 O1 C1 82.3(4) . . . . ?
O7 Sm1 O1 C1 78.3(4) . . . . ?
O4 Sm1 O1 C1 -152.6(4) . . . . ?
N1 Sm1 O1 C1 7.4(4) . . . . ?
O2 Sm1 O1 C1 -21.6(4) . . . . ?
C20 Sm1 O1 C1 -176.9(4) . . . . ?
C34 Sm1 O1 C1 81.2(4) . . . . ?
O1 Sm1 O2 C9 21.3(3) . . . . ?
O8 Sm1 O2 C9 167.7(3) . . . . ?
O9 Sm1 O2 C9 75.9(2) 2_656 . . . ?
O5 Sm1 O2 C9 -157.1(2) . . . . ?
O6 Sm1 O2 C9 -68.4(3) . . . . ?
O7 Sm1 O2 C9 -106.0(2) . . . . ?
O4 Sm1 O2 C9 125.8(2) . . . . ?
N1 Sm1 O2 C9 -9.3(2) . . . . ?
C20 Sm1 O2 C9 162.4(2) . . . . ?
C34 Sm1 O2 C9 -87.5(2) . . . . ?
O1 Sm1 O4 C20 -112.9(2) . . . . ?
O8 Sm1 O4 C20 76.8(2) . . . . ?
O9 Sm1 O4 C20 166.1(2) 2_656 . . . ?
O5 Sm1 O4 C20 -8.5(2) . . . . ?
O6 Sm1 O4 C20 -47.2(2) . . . . ?
O7 Sm1 O4 C20 15.7(3) . . . . ?
N1 Sm1 O4 C20 -142.9(2) . . . . ?
O2 Sm1 O4 C20 117.5(2) . . . . ?
C34 Sm1 O4 C20 -18.3(3) . . . . ?
O1 Sm1 O5 C20 76.5(2) . . . . ?
O8 Sm1 O5 C20 -70.9(2) . . . . ?
O9 Sm1 O5 C20 1.9(3) 2_656 . . . ?
O6 Sm1 O5 C20 154.0(2) . . . . ?
O7 Sm1 O5 C20 -153.1(2) . . . . ?
O4 Sm1 O5 C20 8.5(2) . . . . ?
N1 Sm1 O5 C20 133.7(2) . . . . ?
O2 Sm1 O5 C20 -104.7(2) . . . . ?
C34 Sm1 O5 C20 -179.3(2) . . . . ?
O1 Sm1 O8 C27 165.2(4) . . . . ?
O9 Sm1 O8 C27 105.3(5) 2_656 . . . ?
O5 Sm1 O8 C27 -124.0(5) . . . . ?
O6 Sm1 O8 C27 -64.7(5) . . . . ?
O7 Sm1 O8 C27 -40.8(5) . . . . ?
O4 Sm1 O8 C27 -178.2(5) . . . . ?
N1 Sm1 O8 C27 36.9(5) . . . . ?
O2 Sm1 O8 C27 33.1(5) . . . . ?
C20 Sm1 O8 C27 -150.7(5) . . . . ?
C34 Sm1 O8 C27 -52.1(5) . . . . ?
O1 Sm1 O6 C34 -177.5(2) . . . . ?
O8 Sm1 O6 C34 29.0(3) . . . . ?
O9 Sm1 O6 C34 -132.9(2) 2_656 . . . ?
O5 Sm1 O6 C34 88.7(2) . . . . ?
O7 Sm1 O6 C34 -1.4(2) . . . . ?
O4 Sm1 O6 C34 119.4(2) . . . . ?
N1 Sm1 O6 C34 -103.3(2) . . . . ?
O2 Sm1 O6 C34 -48.6(2) . . . . ?
C20 Sm1 O6 C34 100.1(2) . . . . ?
O1 Sm1 O7 C34 6.4(3) . . . . ?
O8 Sm1 O7 C34 -154.6(2) . . . . ?
O9 Sm1 O7 C34 137.0(2) 2_656 . . . ?
O5 Sm1 O7 C34 -77.0(2) . . . . ?
O6 Sm1 O7 C34 1.4(2) . . . . ?
O4 Sm1 O7 C34 -96.2(2) . . . . ?
N1 Sm1 O7 C34 70.1(2) . . . . ?
O2 Sm1 O7 C34 134.1(2) . . . . ?
C20 Sm1 O7 C34 -89.0(2) . . . . ?
Sm1 O1 C1 C2 -6.6(6) . . . . ?
Sm1 O1 C1 C6 173.2(3) . . . . ?
O1 C1 C2 C3 179.5(4) . . . . ?
C6 C1 C2 C3 -0.2(5) . . . . ?
O1 C1 C2 C7 -0.4(6) . . . . ?
C6 C1 C2 C7 179.9(4) . . . . ?
C1 C2 C3 C4 1.3(6) . . . . ?
C7 C2 C3 C4 -178.8(4) . . . . ?
C2 C3 C4 C5 -0.6(6) . . . . ?
C2 C3 C4 C10 -179.1(4) . . . . ?
C3 C4 C5 C6 -1.3(6) . . . . ?
C10 C4 C5 C6 177.2(4) . . . . ?
C4 C5 C6 C11 -173.3(4) . . . . ?
C4 C5 C6 C1 2.3(6) . . . . ?
O1 C1 C6 C5 178.7(4) . . . . ?
C2 C1 C6 C5 -1.5(5) . . . . ?
O1 C1 C6 C11 -5.7(6) . . . . ?
C2 C1 C6 C11 174.1(4) . . . . ?
C8 N1 C7 C2 178.0(4) . . . . ?
Sm1 N1 C7 C2 2.5(6) . . . . ?
C3 C2 C7 N1 -178.3(4) . . . . ?
C1 C2 C7 N1 1.6(7) . . . . ?
C7 N1 C8 C9 -120.5(4) . . . . ?
Sm1 N1 C8 C9 55.8(4) . . . . ?
Sm1 O2 C9 C8 40.0(3) . . . . ?
N1 C8 C9 O2 -62.7(4) . . . . ?
C12 N2 C11 C6 -175.7(4) . . . . ?
C5 C6 C11 N2 170.5(4) . . . . ?
C1 C6 C11 N2 -5.1(6) . . . . ?
C11 N2 C12 C13 -87.4(5) . . . . ?
N2 C12 C13 O3 65.0(5) . . . . ?
C19 C14 C15 C16 0.4(6) . . . . ?
C20 C14 C15 C16 178.8(4) . . . . ?
C14 C15 C16 C17 -0.4(7) . . . . ?
C15 C16 C17 C18 0.2(7) . . . . ?
C16 C17 C18 C19 0.0(7) . . . . ?
C17 C18 C19 C14 0.0(7) . . . . ?
C15 C14 C19 C18 -0.2(6) . . . . ?
C20 C14 C19 C18 -178.6(4) . . . . ?
Sm1 O4 C20 O5 15.4(4) . . . . ?
Sm1 O4 C20 C14 -163.2(3) . . . . ?
Sm1 O5 C20 O4 -15.9(4) . . . . ?
Sm1 O5 C20 C14 162.6(3) . . . . ?
C19 C14 C20 O4 170.2(4) . . . . ?
C15 C14 C20 O4 -8.1(6) . . . . ?
C19 C14 C20 O5 -8.4(6) . . . . ?
C15 C14 C20 O5 173.3(4) . . . . ?
C19 C14 C20 Sm1 73.6(12) . . . . ?
C15 C14 C20 Sm1 -104.8(11) . . . . ?
O1 Sm1 C20 O4 62.3(2) . . . . ?
O8 Sm1 C20 O4 -94.2(2) . . . . ?
O9 Sm1 C20 O4 -13.8(2) 2_656 . . . ?
O5 Sm1 C20 O4 164.7(4) . . . . ?
O6 Sm1 C20 O4 139.2(2) . . . . ?
O7 Sm1 C20 O4 -167.7(2) . . . . ?
N1 Sm1 C20 O4 72.3(4) . . . . ?
O2 Sm1 C20 O4 -88.9(2) . . . . ?
C34 Sm1 C20 O4 165.4(2) . . . . ?
O1 Sm1 C20 O5 -102.4(2) . . . . ?
O8 Sm1 C20 O5 101.1(2) . . . . ?
O9 Sm1 C20 O5 -178.5(2) 2_656 . . . ?
O6 Sm1 C20 O5 -25.5(2) . . . . ?
O7 Sm1 C20 O5 27.6(2) . . . . ?
O4 Sm1 C20 O5 -164.7(4) . . . . ?
N1 Sm1 C20 O5 -92.4(3) . . . . ?
O2 Sm1 C20 O5 106.4(2) . . . . ?
C34 Sm1 C20 O5 0.7(2) . . . . ?
O1 Sm1 C20 C14 167.0(11) . . . . ?
O8 Sm1 C20 C14 10.4(11) . . . . ?
O9 Sm1 C20 C14 90.9(11) 2_656 . . . ?
O5 Sm1 C20 C14 -90.6(11) . . . . ?
O6 Sm1 C20 C14 -116.1(11) . . . . ?
O7 Sm1 C20 C14 -63.1(11) . . . . ?
O4 Sm1 C20 C14 104.7(11) . . . . ?
N1 Sm1 C20 C14 177.0(10) . . . . ?
O2 Sm1 C20 C14 15.7(12) . . . . ?
C34 Sm1 C20 C14 -90.0(11) . . . . ?
C26 C21 C22 C23 0.5(7) . . . . ?
C27 C21 C22 C23 -179.0(4) . . . . ?
C21 C22 C23 C24 -0.4(8) . . . . ?
C22 C23 C24 C25 0.3(8) . . . . ?
C23 C24 C25 C26 -0.4(8) . . . . ?
C24 C25 C26 C21 0.5(7) . . . . ?
C22 C21 C26 C25 -0.6(7) . . . . ?
C27 C21 C26 C25 178.9(4) . . . . ?
Sm1 O9 C27 O8 -30.7(6) 2_656 . . . ?
Sm1 O9 C27 C21 147.3(3) 2_656 . . . ?
Sm1 O8 C27 O9 -85.4(6) . . . . ?
Sm1 O8 C27 C21 96.6(5) . . . . ?
C26 C21 C27 O9 -4.7(5) . . . . ?
C22 C21 C27 O9 174.9(4) . . . . ?
C26 C21 C27 O8 173.4(4) . . . . ?
C22 C21 C27 O8 -7.0(5) . . . . ?
C33 C28 C29 C30 -2.1(6) . . . . ?
C34 C28 C29 C30 174.4(4) . . . . ?
C28 C29 C30 C31 0.0(7) . . . . ?
C29 C30 C31 C32 2.3(8) . . . . ?
C30 C31 C32 C33 -2.4(7) . . . . ?
C31 C32 C33 C28 0.3(7) . . . . ?
C29 C28 C33 C32 2.0(6) . . . . ?
C34 C28 C33 C32 -174.6(4) . . . . ?
Sm1 O6 C34 O7 2.6(4) . . . . ?
Sm1 O6 C34 C28 179.7(3) . . . . ?
Sm1 O7 C34 O6 -2.6(4) . . . . ?
Sm1 O7 C34 C28 -179.6(3) . . . . ?
C29 C28 C34 O6 -176.4(4) . . . . ?
C33 C28 C34 O6 0.1(6) . . . . ?
C29 C28 C34 O7 0.7(6) . . . . ?
C33 C28 C34 O7 177.2(4) . . . . ?
C29 C28 C34 Sm1 -142(31) . . . . ?
C33 C28 C34 Sm1 34(31) . . . . ?
O1 Sm1 C34 O6 2.5(2) . . . . ?
O8 Sm1 C34 O6 -156.6(2) . . . . ?
O9 Sm1 C34 O6 92.9(3) 2_656 . . . ?
O5 Sm1 C34 O6 -84.7(2) . . . . ?
O7 Sm1 C34 O6 177.5(4) . . . . ?
O4 Sm1 C34 O6 -76.8(2) . . . . ?
N1 Sm1 C34 O6 70.4(2) . . . . ?
O2 Sm1 C34 O6 134.6(2) . . . . ?
C20 Sm1 C34 O6 -85.0(2) . . . . ?
O1 Sm1 C34 O7 -174.9(2) . . . . ?
O8 Sm1 C34 O7 25.9(2) . . . . ?
O9 Sm1 C34 O7 -84.6(3) 2_656 . . . ?
O5 Sm1 C34 O7 97.8(2) . . . . ?
O6 Sm1 C34 O7 -177.5(4) . . . . ?
O4 Sm1 C34 O7 105.7(2) . . . . ?
N1 Sm1 C34 O7 -107.1(2) . . . . ?
O2 Sm1 C34 O7 -42.9(2) . . . . ?
C20 Sm1 C34 O7 97.5(2) . . . . ?
O1 Sm1 C34 C28 -32(31) . . . . ?
O8 Sm1 C34 C28 169(100) . . . . ?
O9 Sm1 C34 C28 58(31) 2_656 . . . ?
O5 Sm1 C34 C28 -119(31) . . . . ?
O6 Sm1 C34 C28 -34(31) . . . . ?
O7 Sm1 C34 C28 143(31) . . . . ?
O4 Sm1 C34 C28 -111(31) . . . . ?
N1 Sm1 C34 C28 36(31) . . . . ?
O2 Sm1 C34 C28 100(31) . . . . ?
C20 Sm1 C34 C28 -119(31) . . . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        26.03
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         0.766
_refine_diff_density_min         -0.931
_refine_diff_density_rms         0.117
####################################################################### 
# 
# 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 1487904'
_audit_update_record             
;
2016-06-28 deposited with the CCDC.
2016-10-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        2
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C68 H66 Dy2 N4 O18'
_chemical_formula_weight         1552.25

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

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.1487(7)
_cell_length_b                   11.3872(7)
_cell_length_c                   13.6878(8)
_cell_angle_alpha                94.2870(10)
_cell_angle_beta                 113.0680(10)
_cell_angle_gamma                97.6950(10)
_cell_volume                     1568.86(17)
_cell_formula_units_Z            1
_cell_measurement_temperature    185(2)
_cell_measurement_reflns_used    7381
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      26.08

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             778
_exptl_absorpt_coefficient_mu    2.440
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6542
_exptl_absorpt_correction_T_max  0.7110
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      185(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            8689
_diffrn_reflns_av_R_equivalents  0.0167
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.63
_diffrn_reflns_theta_max         26.08
_reflns_number_total             6090
_reflns_number_gt                5692
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0412P)²+0.5454P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6090
_refine_ls_number_parameters     417
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0248
_refine_ls_wR_factor_ref         0.0659
_refine_ls_wR_factor_gt          0.0642
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.595567(11) 0.175694(11) 0.417854(10) 0.01813(6) Uani 1 1 d . . .
N1 N 0.6268(2) 0.3579(2) 0.5456(2) 0.0222(5) Uani 1 1 d . . .
N2 N 1.0043(2) 0.1826(2) 0.4474(2) 0.0263(5) Uani 1 1 d . . .
O1 O 0.81169(19) 0.26628(18) 0.47698(16) 0.0232(4) Uani 1 1 d . . .
H1 H 0.8526 0.2276 0.4376 0.028 Uiso 1 1 calc R . .
O2 O 0.42685(19) 0.16670(18) 0.50449(16) 0.0248(4) Uani 1 1 d . . .
H2 H 0.3512 0.1050 0.4808 0.030 Uiso 1 1 calc R . .
O3 O 1.1428(3) 0.2279(3) 0.3062(3) 0.0661(10) Uani 1 1 d . . .
H3 H 1.2079 0.2120 0.2946 0.099 Uiso 1 1 calc R . .
O4 O 0.7221(2) 0.0191(2) 0.38679(17) 0.0288(5) Uani 1 1 d . . .
O5 O 0.6029(2) 0.10362(19) 0.24993(17) 0.0263(4) Uani 1 1 d . . .
O8 O 0.45261(19) -0.00654(18) 0.36425(16) 0.0250(4) Uani 1 1 d . . .
O6 O 0.5815(2) 0.35125(19) 0.31910(18) 0.0273(5) Uani 1 1 d . . .
O7 O 0.3937(2) 0.23768(19) 0.29537(17) 0.0276(5) Uani 1 1 d . . .
O9 O 0.30633(19) -0.10813(19) 0.41398(17) 0.0256(4) Uani 1 1 d . . .
C1 C 0.8969(3) 0.3522(3) 0.5457(2) 0.0206(6) Uani 1 1 d . . .
C2 C 0.8643(3) 0.4350(3) 0.6101(2) 0.0231(6) Uani 1 1 d . . .
C3 C 0.9636(3) 0.5246(3) 0.6846(2) 0.0250(6) Uani 1 1 d . . .
H3A H 0.9395 0.5776 0.7279 0.030 Uiso 1 1 calc R . .
C4 C 1.0965(3) 0.5403(3) 0.6986(3) 0.0269(7) Uani 1 1 d . . .
C5 C 1.1286(3) 0.4614(3) 0.6341(2) 0.0253(6) Uani 1 1 d . . .
H5 H 1.2170 0.4716 0.6394 0.030 Uiso 1 1 calc R . .
C6 C 1.0338(3) 0.3669(3) 0.5611(2) 0.0236(6) Uani 1 1 d . . .
C7 C 0.7310(3) 0.4332(3) 0.6051(2) 0.0248(6) Uani 1 1 d . . .
H7 H 0.7204 0.4943 0.6508 0.030 Uiso 1 1 calc R . .
C8 C 0.5036(3) 0.3731(3) 0.5573(3) 0.0267(6) Uani 1 1 d . . .
H8A H 0.4366 0.3883 0.4887 0.032 Uiso 1 1 calc R . .
H8B H 0.5212 0.4419 0.6127 0.032 Uiso 1 1 calc R . .
C9 C 0.4536(3) 0.2594(3) 0.5898(3) 0.0265(6) Uani 1 1 d . . .
H9A H 0.5213 0.2425 0.6574 0.032 Uiso 1 1 calc R . .
H9B H 0.3720 0.2664 0.6008 0.032 Uiso 1 1 calc R . .
C10 C 1.1978(3) 0.6387(3) 0.7807(3) 0.0368(8) Uani 1 1 d . . .
H10A H 1.2674 0.6037 0.8329 0.055 Uiso 1 1 calc R . .
H10B H 1.1549 0.6831 0.8178 0.055 Uiso 1 1 calc R . .
H10C H 1.2372 0.6932 0.7448 0.055 Uiso 1 1 calc R . .
C11 C 1.0767(3) 0.2823(3) 0.5072(2) 0.0260(6) Uani 1 1 d . . .
H11 H 1.1660 0.2994 0.5150 0.031 Uiso 1 1 calc R . .
C12 C 1.0559(3) 0.0926(3) 0.3992(3) 0.0320(7) Uani 1 1 d . . .
H12A H 1.0010 0.0129 0.3883 0.038 Uiso 1 1 calc R . .
H12B H 1.1476 0.0891 0.4491 0.038 Uiso 1 1 calc R . .
C13 C 1.0554(4) 0.1209(4) 0.2937(3) 0.0457(9) Uani 1 1 d . . .
H13A H 1.0815 0.0543 0.2604 0.055 Uiso 1 1 calc R . .
H13B H 0.9645 0.1285 0.2450 0.055 Uiso 1 1 calc R . .
C14 C 0.6705(3) -0.0778(3) 0.2101(2) 0.0250(6) Uani 1 1 d . . .
C15 C 0.7490(3) -0.1635(3) 0.2471(3) 0.0292(7) Uani 1 1 d . . .
H15 H 0.8017 -0.1589 0.3216 0.035 Uiso 1 1 calc R . .
C16 C 0.7507(4) -0.2555(3) 0.1757(3) 0.0367(8) Uani 1 1 d . . .
H16 H 0.8050 -0.3135 0.2015 0.044 Uiso 1 1 calc R . .
C17 C 0.6733(4) -0.2633(3) 0.0667(3) 0.0397(8) Uani 1 1 d . . .
H17 H 0.6745 -0.3265 0.0178 0.048 Uiso 1 1 calc R . .
C18 C 0.5943(4) -0.1784(4) 0.0296(3) 0.0434(9) Uani 1 1 d . . .
H18 H 0.5411 -0.1832 -0.0448 0.052 Uiso 1 1 calc R . .
C19 C 0.5929(4) -0.0864(3) 0.1012(3) 0.0365(8) Uani 1 1 d . . .
H19 H 0.5383 -0.0286 0.0754 0.044 Uiso 1 1 calc R . .
C20 C 0.6660(3) 0.0214(3) 0.2869(2) 0.0236(6) Uani 1 1 d . . .
C21 C 0.2430(3) -0.0963(3) 0.2287(2) 0.0238(6) Uani 1 1 d . . .
C22 C 0.2725(3) -0.0456(3) 0.1494(3) 0.0362(8) Uani 1 1 d . . .
H22 H 0.3546 0.0063 0.1679 0.043 Uiso 1 1 calc R . .
C23 C 0.1814(4) -0.0711(4) 0.0435(3) 0.0530(11) Uani 1 1 d . . .
H23 H 0.2008 -0.0362 -0.0107 0.064 Uiso 1 1 calc R . .
C24 C 0.0623(4) -0.1475(4) 0.0166(3) 0.0529(11) Uani 1 1 d . . .
H24 H 0.0005 -0.1651 -0.0561 0.063 Uiso 1 1 calc R . .
C25 C 0.0330(4) -0.1980(4) 0.0944(3) 0.0466(10) Uani 1 1 d . . .
H25 H -0.0493 -0.2498 0.0756 0.056 Uiso 1 1 calc R . .
C26 C 0.1237(3) -0.1732(3) 0.2005(3) 0.0328(7) Uani 1 1 d . . .
H26 H 0.1040 -0.2092 0.2541 0.039 Uiso 1 1 calc R . .
C27 C 0.3402(3) -0.0677(2) 0.3438(2) 0.0208(6) Uani 1 1 d . . .
C28 C 0.3834(3) 0.4057(3) 0.1982(2) 0.0225(6) Uani 1 1 d . . .
C29 C 0.2464(3) 0.3860(3) 0.1527(3) 0.0296(7) Uani 1 1 d . . .
H29 H 0.1980 0.3171 0.1641 0.035 Uiso 1 1 calc R . .
C30 C 0.1794(4) 0.4665(4) 0.0905(3) 0.0423(9) Uani 1 1 d . . .
H30 H 0.0853 0.4528 0.0600 0.051 Uiso 1 1 calc R . .
C31 C 0.2486(4) 0.5662(4) 0.0730(3) 0.0466(10) Uani 1 1 d . . .
H31 H 0.2023 0.6222 0.0319 0.056 Uiso 1 1 calc R . .
C32 C 0.3855(4) 0.5850(3) 0.1149(3) 0.0451(9) Uani 1 1 d . . .
H32 H 0.4332 0.6523 0.1007 0.054 Uiso 1 1 calc R . .
C33 C 0.4529(3) 0.5053(3) 0.1779(3) 0.0326(7) Uani 1 1 d . . .
H33 H 0.5470 0.5186 0.2074 0.039 Uiso 1 1 calc R . .
C34 C 0.4573(3) 0.3261(3) 0.2744(2) 0.0213(6) 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 O1 2.2817(19) . ?
Dy1 O8 2.314(2) . ?
Dy1 O9 2.367(2) 2_656 ?
Dy1 O5 2.418(2) . ?
Dy1 O7 2.453(2) . ?
Dy1 O6 2.484(2) . ?
Dy1 N1 2.504(2) . ?
Dy1 O4 2.526(2) . ?
Dy1 O2 2.583(2) . ?
Dy1 C20 2.814(3) . ?
Dy1 C34 2.829(3) . ?
N1 C7 1.279(4) . ?
N1 C8 1.475(4) . ?
N2 C11 1.306(4) . ?
N2 C12 1.474(4) . ?
O1 C1 1.287(3) . ?
O1 H1 0.9500 . ?
O2 C9 1.424(4) . ?
O2 H2 0.9500 . ?
O3 C13 1.408(5) . ?
O3 H3 0.8400 . ?
O4 C20 1.265(4) . ?
O5 C20 1.263(4) . ?
O8 C27 1.263(3) . ?
O6 C34 1.256(4) . ?
O7 C34 1.269(4) . ?
O9 C27 1.257(4) . ?
O9 Dy1 2.367(2) 2_656 ?
C1 C2 1.421(4) . ?
C1 C6 1.441(4) . ?
C2 C3 1.400(4) . ?
C2 C7 1.458(4) . ?
C3 C4 1.402(4) . ?
C3 H3A 0.9500 . ?
C4 C5 1.389(5) . ?
C4 C10 1.507(4) . ?
C5 C6 1.408(4) . ?
C5 H5 0.9500 . ?
C6 C11 1.413(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.507(4) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11 0.9500 . ?
C12 C13 1.501(5) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C19 1.388(4) . ?
C14 C15 1.389(4) . ?
C14 C20 1.504(4) . ?
C15 C16 1.386(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.389(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.386(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.385(5) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C21 C26 1.386(4) . ?
C21 C22 1.393(4) . ?
C21 C27 1.502(4) . ?
C22 C23 1.386(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.383(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.374(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.386(5) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C28 C29 1.383(4) . ?
C28 C33 1.394(4) . ?
C28 C34 1.501(4) . ?
C29 C30 1.388(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.376(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.383(6) . ?
C31 H31 0.9500 . ?
C32 C33 1.387(5) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O8 144.62(7) . . ?
O1 Dy1 O9 77.70(7) . 2_656 ?
O8 Dy1 O9 86.12(7) . 2_656 ?
O1 Dy1 O5 88.80(7) . . ?
O8 Dy1 O5 76.64(7) . . ?
O9 Dy1 O5 127.96(7) 2_656 . ?
O1 Dy1 O7 129.82(7) . . ?
O8 Dy1 O7 80.25(7) . . ?
O9 Dy1 O7 143.50(7) 2_656 . ?
O5 Dy1 O7 81.47(7) . . ?
O1 Dy1 O6 76.98(7) . . ?
O8 Dy1 O6 127.68(7) . . ?
O9 Dy1 O6 145.24(7) 2_656 . ?
O5 Dy1 O6 74.78(7) . . ?
O7 Dy1 O6 52.92(7) . . ?
O1 Dy1 N1 73.16(7) . . ?
O8 Dy1 N1 134.02(8) . . ?
O9 Dy1 N1 78.12(8) 2_656 . ?
O5 Dy1 N1 144.93(7) . . ?
O7 Dy1 N1 87.37(8) . . ?
O6 Dy1 N1 72.01(8) . . ?
O1 Dy1 O4 72.94(7) . . ?
O8 Dy1 O4 72.57(7) . . ?
O9 Dy1 O4 75.13(7) 2_656 . ?
O5 Dy1 O4 52.92(7) . . ?
O7 Dy1 O4 130.69(7) . . ?
O6 Dy1 O4 118.78(7) . . ?
N1 Dy1 O4 140.36(7) . . ?
O1 Dy1 O2 132.67(7) . . ?
O8 Dy1 O2 68.67(7) . . ?
O9 Dy1 O2 72.42(7) 2_656 . ?
O5 Dy1 O2 138.52(7) . . ?
O7 Dy1 O2 71.08(7) . . ?
O6 Dy1 O2 109.33(7) . . ?
N1 Dy1 O2 65.42(7) . . ?
O4 Dy1 O2 130.30(7) . . ?
O1 Dy1 C20 83.07(8) . . ?
O8 Dy1 C20 69.46(8) . . ?
O9 Dy1 C20 101.41(8) 2_656 . ?
O5 Dy1 C20 26.58(8) . . ?
O7 Dy1 C20 105.08(8) . . ?
O6 Dy1 C20 98.75(8) . . ?
N1 Dy1 C20 155.83(8) . . ?
O4 Dy1 C20 26.72(8) . . ?
O2 Dy1 C20 137.97(7) . . ?
O1 Dy1 C34 103.31(8) . . ?
O8 Dy1 C34 104.14(8) . . ?
O9 Dy1 C34 155.82(8) 2_656 . ?
O5 Dy1 C34 76.11(8) . . ?
O7 Dy1 C34 26.60(7) . . ?
O6 Dy1 C34 26.34(8) . . ?
N1 Dy1 C34 79.11(8) . . ?
O4 Dy1 C34 128.65(7) . . ?
O2 Dy1 C34 90.72(7) . . ?
C20 Dy1 C34 102.69(8) . . ?
C7 N1 C8 116.5(3) . . ?
C7 N1 Dy1 131.0(2) . . ?
C8 N1 Dy1 112.39(18) . . ?
C11 N2 C12 123.9(3) . . ?
C1 O1 Dy1 141.28(18) . . ?
C1 O1 H1 109.4 . . ?
Dy1 O1 H1 109.4 . . ?
C9 O2 Dy1 116.22(16) . . ?
C9 O2 H2 121.9 . . ?
Dy1 O2 H2 121.9 . . ?
C13 O3 H3 109.5 . . ?
C20 O4 Dy1 89.42(17) . . ?
C20 O5 Dy1 94.46(18) . . ?
C27 O8 Dy1 150.09(19) . . ?
C34 O6 Dy1 92.36(17) . . ?
C34 O7 Dy1 93.46(17) . . ?
C27 O9 Dy1 138.93(18) . 2_656 ?
O1 C1 C2 123.5(3) . . ?
O1 C1 C6 119.9(3) . . ?
C2 C1 C6 116.6(3) . . ?
C3 C2 C1 119.9(3) . . ?
C3 C2 C7 116.2(3) . . ?
C1 C2 C7 123.9(3) . . ?
C2 C3 C4 123.6(3) . . ?
C2 C3 H3A 118.2 . . ?
C4 C3 H3A 118.2 . . ?
C5 C4 C3 116.8(3) . . ?
C5 C4 C10 122.6(3) . . ?
C3 C4 C10 120.5(3) . . ?
C4 C5 C6 121.8(3) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C5 C6 C11 118.6(3) . . ?
C5 C6 C1 121.1(3) . . ?
C11 C6 C1 120.2(3) . . ?
N1 C7 C2 126.7(3) . . ?
N1 C7 H7 116.6 . . ?
C2 C7 H7 116.6 . . ?
N1 C8 C9 107.6(2) . . ?
N1 C8 H8A 110.2 . . ?
C9 C8 H8A 110.2 . . ?
N1 C8 H8B 110.2 . . ?
C9 C8 H8B 110.2 . . ?
H8A C8 H8B 108.5 . . ?
O2 C9 C8 106.3(2) . . ?
O2 C9 H9A 110.5 . . ?
C8 C9 H9A 110.5 . . ?
O2 C9 H9B 110.5 . . ?
C8 C9 H9B 110.5 . . ?
H9A C9 H9B 108.7 . . ?
C4 C10 H10A 109.5 . . ?
C4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N2 C11 C6 125.7(3) . . ?
N2 C11 H11 117.1 . . ?
C6 C11 H11 117.1 . . ?
N2 C12 C13 111.8(3) . . ?
N2 C12 H12A 109.3 . . ?
C13 C12 H12A 109.3 . . ?
N2 C12 H12B 109.3 . . ?
C13 C12 H12B 109.3 . . ?
H12A C12 H12B 107.9 . . ?
O3 C13 C12 111.6(3) . . ?
O3 C13 H13A 109.3 . . ?
C12 C13 H13A 109.3 . . ?
O3 C13 H13B 109.3 . . ?
C12 C13 H13B 109.3 . . ?
H13A C13 H13B 108.0 . . ?
C19 C14 C15 119.2(3) . . ?
C19 C14 C20 120.0(3) . . ?
C15 C14 C20 120.8(3) . . ?
C16 C15 C14 120.3(3) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 120.3(3) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C18 C17 C16 119.6(3) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C19 C18 C17 120.0(3) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C14 120.7(3) . . ?
C18 C19 H19 119.7 . . ?
C14 C19 H19 119.7 . . ?
O5 C20 O4 121.4(3) . . ?
O5 C20 C14 119.1(3) . . ?
O4 C20 C14 119.5(3) . . ?
O5 C20 Dy1 58.96(15) . . ?
O4 C20 Dy1 63.86(16) . . ?
C14 C20 Dy1 166.1(2) . . ?
C26 C21 C22 119.6(3) . . ?
C26 C21 C27 120.4(3) . . ?
C22 C21 C27 120.0(3) . . ?
C23 C22 C21 119.7(3) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C24 C23 C22 120.1(4) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C25 C24 C23 120.5(3) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C24 C25 C26 119.8(3) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C21 C26 C25 120.4(3) . . ?
C21 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
O9 C27 O8 123.8(3) . . ?
O9 C27 C21 118.3(3) . . ?
O8 C27 C21 117.9(3) . . ?
C29 C28 C33 119.1(3) . . ?
C29 C28 C34 120.8(3) . . ?
C33 C28 C34 119.9(3) . . ?
C28 C29 C30 120.3(3) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C31 C30 C29 120.3(3) . . ?
C31 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C30 C31 C32 120.1(3) . . ?
C30 C31 H31 120.0 . . ?
C32 C31 H31 120.0 . . ?
C31 C32 C33 119.8(3) . . ?
C31 C32 H32 120.1 . . ?
C33 C32 H32 120.1 . . ?
C32 C33 C28 120.4(3) . . ?
C32 C33 H33 119.8 . . ?
C28 C33 H33 119.8 . . ?
O6 C34 O7 121.2(3) . . ?
O6 C34 C28 118.9(3) . . ?
O7 C34 C28 119.8(3) . . ?
O6 C34 Dy1 61.31(15) . . ?
O7 C34 Dy1 59.94(14) . . ?
C28 C34 Dy1 179.8(2) . . ?

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
O1 Dy1 N1 C7 -5.5(3) . . . . ?
O8 Dy1 N1 C7 147.7(2) . . . . ?
O9 Dy1 N1 C7 75.1(3) 2_656 . . . ?
O5 Dy1 N1 C7 -67.5(3) . . . . ?
O7 Dy1 N1 C7 -138.6(3) . . . . ?
O6 Dy1 N1 C7 -86.9(3) . . . . ?
O4 Dy1 N1 C7 26.8(3) . . . . ?
O2 Dy1 N1 C7 151.0(3) . . . . ?
C20 Dy1 N1 C7 -16.3(4) . . . . ?
C34 Dy1 N1 C7 -113.1(3) . . . . ?
O1 Dy1 N1 C8 179.3(2) . . . . ?
O8 Dy1 N1 C8 -27.6(2) . . . . ?
O9 Dy1 N1 C8 -100.12(19) 2_656 . . . ?
O5 Dy1 N1 C8 117.3(2) . . . . ?
O7 Dy1 N1 C8 46.17(19) . . . . ?
O6 Dy1 N1 C8 97.88(19) . . . . ?
O4 Dy1 N1 C8 -148.45(18) . . . . ?
O2 Dy1 N1 C8 -24.20(18) . . . . ?
C20 Dy1 N1 C8 168.43(19) . . . . ?
C34 Dy1 N1 C8 71.66(19) . . . . ?
O8 Dy1 O1 C1 -138.4(3) . . . . ?
O9 Dy1 O1 C1 -73.6(3) 2_656 . . . ?
O5 Dy1 O1 C1 157.0(3) . . . . ?
O7 Dy1 O1 C1 79.2(3) . . . . ?
O6 Dy1 O1 C1 82.4(3) . . . . ?
N1 Dy1 O1 C1 7.5(3) . . . . ?
O4 Dy1 O1 C1 -151.6(3) . . . . ?
O2 Dy1 O1 C1 -22.0(3) . . . . ?
C20 Dy1 O1 C1 -177.0(3) . . . . ?
C34 Dy1 O1 C1 81.6(3) . . . . ?
O1 Dy1 O2 C9 21.6(2) . . . . ?
O8 Dy1 O2 C9 167.74(19) . . . . ?
O9 Dy1 O2 C9 75.02(18) 2_656 . . . ?
O5 Dy1 O2 C9 -156.98(17) . . . . ?
O7 Dy1 O2 C9 -105.61(19) . . . . ?
O6 Dy1 O2 C9 -68.32(19) . . . . ?
N1 Dy1 O2 C9 -9.67(17) . . . . ?
O4 Dy1 O2 C9 126.58(18) . . . . ?
C20 Dy1 O2 C9 162.64(18) . . . . ?
C34 Dy1 O2 C9 -87.35(18) . . . . ?
O1 Dy1 O4 C20 -109.21(18) . . . . ?
O8 Dy1 O4 C20 78.80(17) . . . . ?
O9 Dy1 O4 C20 169.36(18) 2_656 . . . ?
O5 Dy1 O4 C20 -7.41(16) . . . . ?
O7 Dy1 O4 C20 19.1(2) . . . . ?
O6 Dy1 O4 C20 -45.15(19) . . . . ?
N1 Dy1 O4 C20 -141.50(17) . . . . ?
O2 Dy1 O4 C20 118.78(17) . . . . ?
C34 Dy1 O4 C20 -15.6(2) . . . . ?
O1 Dy1 O5 C20 76.83(17) . . . . ?
O8 Dy1 O5 C20 -70.64(17) . . . . ?
O9 Dy1 O5 C20 3.5(2) 2_656 . . . ?
O7 Dy1 O5 C20 -152.57(18) . . . . ?
O6 Dy1 O5 C20 153.66(18) . . . . ?
N1 Dy1 O5 C20 134.55(18) . . . . ?
O4 Dy1 O5 C20 7.44(16) . . . . ?
O2 Dy1 O5 C20 -104.22(18) . . . . ?
C34 Dy1 O5 C20 -179.15(18) . . . . ?
O1 Dy1 O8 C27 165.0(3) . . . . ?
O9 Dy1 O8 C27 102.7(4) 2_656 . . . ?
O5 Dy1 O8 C27 -126.8(4) . . . . ?
O7 Dy1 O8 C27 -43.3(4) . . . . ?
O6 Dy1 O8 C27 -68.4(4) . . . . ?
N1 Dy1 O8 C27 33.3(4) . . . . ?
O4 Dy1 O8 C27 178.3(4) . . . . ?
O2 Dy1 O8 C27 30.1(4) . . . . ?
C20 Dy1 O8 C27 -153.6(4) . . . . ?
C34 Dy1 O8 C27 -55.1(4) . . . . ?
O1 Dy1 O6 C34 -178.30(18) . . . . ?
O8 Dy1 O6 C34 30.2(2) . . . . ?
O9 Dy1 O6 C34 -134.08(17) 2_656 . . . ?
O5 Dy1 O6 C34 89.37(18) . . . . ?
O7 Dy1 O6 C34 -1.37(16) . . . . ?
N1 Dy1 O6 C34 -102.03(18) . . . . ?
O4 Dy1 O6 C34 119.78(17) . . . . ?
O2 Dy1 O6 C34 -47.30(18) . . . . ?
C20 Dy1 O6 C34 100.96(18) . . . . ?
O1 Dy1 O7 C34 5.3(2) . . . . ?
O8 Dy1 O7 C34 -153.77(18) . . . . ?
O9 Dy1 O7 C34 136.59(17) 2_656 . . . ?
O5 Dy1 O7 C34 -75.96(17) . . . . ?
O6 Dy1 O7 C34 1.36(16) . . . . ?
N1 Dy1 O7 C34 70.69(17) . . . . ?
O4 Dy1 O7 C34 -97.04(18) . . . . ?
O2 Dy1 O7 C34 135.58(18) . . . . ?
C20 Dy1 O7 C34 -88.29(18) . . . . ?
Dy1 O1 C1 C2 -6.3(5) . . . . ?
Dy1 O1 C1 C6 172.9(2) . . . . ?
O1 C1 C2 C3 178.7(3) . . . . ?
C6 C1 C2 C3 -0.5(4) . . . . ?
O1 C1 C2 C7 -0.7(5) . . . . ?
C6 C1 C2 C7 -179.9(3) . . . . ?
C1 C2 C3 C4 1.6(5) . . . . ?
C7 C2 C3 C4 -178.9(3) . . . . ?
C2 C3 C4 C5 0.0(5) . . . . ?
C2 C3 C4 C10 -179.8(3) . . . . ?
C3 C4 C5 C6 -2.6(4) . . . . ?
C10 C4 C5 C6 177.2(3) . . . . ?
C4 C5 C6 C11 -172.9(3) . . . . ?
C4 C5 C6 C1 3.7(4) . . . . ?
O1 C1 C6 C5 178.7(3) . . . . ?
C2 C1 C6 C5 -2.0(4) . . . . ?
O1 C1 C6 C11 -4.8(4) . . . . ?
C2 C1 C6 C11 174.5(3) . . . . ?
C8 N1 C7 C2 178.3(3) . . . . ?
Dy1 N1 C7 C2 3.2(5) . . . . ?
C3 C2 C7 N1 -178.0(3) . . . . ?
C1 C2 C7 N1 1.5(5) . . . . ?
C7 N1 C8 C9 -120.9(3) . . . . ?
Dy1 N1 C8 C9 55.1(3) . . . . ?
Dy1 O2 C9 C8 40.1(3) . . . . ?
N1 C8 C9 O2 -61.8(3) . . . . ?
C12 N2 C11 C6 -175.2(3) . . . . ?
C5 C6 C11 N2 171.3(3) . . . . ?
C1 C6 C11 N2 -5.3(5) . . . . ?
C11 N2 C12 C13 -85.7(4) . . . . ?
N2 C12 C13 O3 64.9(4) . . . . ?
C19 C14 C15 C16 0.7(5) . . . . ?
C20 C14 C15 C16 179.0(3) . . . . ?
C14 C15 C16 C17 -0.4(5) . . . . ?
C15 C16 C17 C18 0.0(6) . . . . ?
C16 C17 C18 C19 0.0(6) . . . . ?
C17 C18 C19 C14 0.2(6) . . . . ?
C15 C14 C19 C18 -0.6(5) . . . . ?
C20 C14 C19 C18 -179.0(3) . . . . ?
Dy1 O5 C20 O4 -14.0(3) . . . . ?
Dy1 O5 C20 C14 164.0(2) . . . . ?
Dy1 O4 C20 O5 13.3(3) . . . . ?
Dy1 O4 C20 C14 -164.7(2) . . . . ?
C19 C14 C20 O5 -7.9(4) . . . . ?
C15 C14 C20 O5 173.7(3) . . . . ?
C19 C14 C20 O4 170.1(3) . . . . ?
C15 C14 C20 O4 -8.2(4) . . . . ?
C19 C14 C20 Dy1 70.0(9) . . . . ?
C15 C14 C20 Dy1 -108.4(8) . . . . ?
O1 Dy1 C20 O5 -101.29(17) . . . . ?
O8 Dy1 C20 O5 101.40(18) . . . . ?
O9 Dy1 C20 O5 -177.20(16) 2_656 . . . ?
O7 Dy1 C20 O5 28.15(18) . . . . ?
O6 Dy1 C20 O5 -25.67(18) . . . . ?
N1 Dy1 C20 O5 -90.8(3) . . . . ?
O4 Dy1 C20 O5 -166.7(3) . . . . ?
O2 Dy1 C20 O5 106.47(18) . . . . ?
C34 Dy1 C20 O5 0.85(18) . . . . ?
O1 Dy1 C20 O4 65.42(17) . . . . ?
O8 Dy1 C20 O4 -91.89(17) . . . . ?
O9 Dy1 C20 O4 -10.49(18) 2_656 . . . ?
O5 Dy1 C20 O4 166.7(3) . . . . ?
O7 Dy1 C20 O4 -165.13(16) . . . . ?
O6 Dy1 C20 O4 141.04(17) . . . . ?
N1 Dy1 C20 O4 75.9(3) . . . . ?
O2 Dy1 C20 O4 -86.82(19) . . . . ?
C34 Dy1 C20 O4 167.56(17) . . . . ?
O1 Dy1 C20 C14 172.8(9) . . . . ?
O8 Dy1 C20 C14 15.5(8) . . . . ?
O9 Dy1 C20 C14 96.9(9) 2_656 . . . ?
O5 Dy1 C20 C14 -85.9(9) . . . . ?
O7 Dy1 C20 C14 -57.8(9) . . . . ?
O6 Dy1 C20 C14 -111.6(9) . . . . ?
N1 Dy1 C20 C14 -176.7(8) . . . . ?
O4 Dy1 C20 C14 107.4(9) . . . . ?
O2 Dy1 C20 C14 20.6(9) . . . . ?
C34 Dy1 C20 C14 -85.1(9) . . . . ?
C26 C21 C22 C23 1.0(6) . . . . ?
C27 C21 C22 C23 -179.1(4) . . . . ?
C21 C22 C23 C24 -0.6(7) . . . . ?
C22 C23 C24 C25 0.3(8) . . . . ?
C23 C24 C25 C26 -0.6(7) . . . . ?
C22 C21 C26 C25 -1.2(5) . . . . ?
C27 C21 C26 C25 178.9(3) . . . . ?
C24 C25 C26 C21 1.0(6) . . . . ?
Dy1 O9 C27 O8 -30.6(5) 2_656 . . . ?
Dy1 O9 C27 C21 147.8(2) 2_656 . . . ?
Dy1 O8 C27 O9 -83.4(4) . . . . ?
Dy1 O8 C27 C21 98.3(4) . . . . ?
C26 C21 C27 O9 -5.2(4) . . . . ?
C22 C21 C27 O9 175.0(3) . . . . ?
C26 C21 C27 O8 173.2(3) . . . . ?
C22 C21 C27 O8 -6.6(4) . . . . ?
C33 C28 C29 C30 -2.1(5) . . . . ?
C34 C28 C29 C30 173.9(3) . . . . ?
C28 C29 C30 C31 0.5(6) . . . . ?
C29 C30 C31 C32 1.7(6) . . . . ?
C30 C31 C32 C33 -2.3(6) . . . . ?
C31 C32 C33 C28 0.7(6) . . . . ?
C29 C28 C33 C32 1.5(5) . . . . ?
C34 C28 C33 C32 -174.6(3) . . . . ?
Dy1 O6 C34 O7 2.5(3) . . . . ?
Dy1 O6 C34 C28 179.9(2) . . . . ?
Dy1 O7 C34 O6 -2.5(3) . . . . ?
Dy1 O7 C34 C28 -179.9(2) . . . . ?
C29 C28 C34 O6 -175.7(3) . . . . ?
C33 C28 C34 O6 0.3(4) . . . . ?
C29 C28 C34 O7 1.8(4) . . . . ?
C33 C28 C34 O7 177.8(3) . . . . ?
C29 C28 C34 Dy1 -10(64) . . . . ?
C33 C28 C34 Dy1 166(100) . . . . ?
O1 Dy1 C34 O6 1.70(18) . . . . ?
O8 Dy1 C34 O6 -155.75(17) . . . . ?
O9 Dy1 C34 O6 91.3(2) 2_656 . . . ?
O5 Dy1 C34 O6 -83.67(17) . . . . ?
O7 Dy1 C34 O6 177.6(3) . . . . ?
N1 Dy1 C34 O6 71.30(18) . . . . ?
O4 Dy1 C34 O6 -76.94(19) . . . . ?
O2 Dy1 C34 O6 136.09(17) . . . . ?
C20 Dy1 C34 O6 -84.06(18) . . . . ?
O1 Dy1 C34 O7 -175.85(16) . . . . ?
O8 Dy1 C34 O7 26.70(18) . . . . ?
O9 Dy1 C34 O7 -86.3(2) 2_656 . . . ?
O5 Dy1 C34 O7 98.77(18) . . . . ?
O6 Dy1 C34 O7 -177.6(3) . . . . ?
N1 Dy1 C34 O7 -106.25(18) . . . . ?
O4 Dy1 C34 O7 105.51(17) . . . . ?
O2 Dy1 C34 O7 -41.47(17) . . . . ?
C20 Dy1 C34 O7 98.38(17) . . . . ?
O1 Dy1 C34 C28 -164(100) . . . . ?
O8 Dy1 C34 C28 39(64) . . . . ?
O9 Dy1 C34 C28 -74(64) 2_656 . . . ?
O5 Dy1 C34 C28 111(64) . . . . ?
O7 Dy1 C34 C28 12(64) . . . . ?
O6 Dy1 C34 C28 -165(100) . . . . ?
N1 Dy1 C34 C28 -94(64) . . . . ?
O4 Dy1 C34 C28 118(64) . . . . ?
O2 Dy1 C34 C28 -29(64) . . . . ?
C20 Dy1 C34 C28 111(64) . . . . ?

_diffrn_measured_fraction_theta_max 0.981
_diffrn_reflns_theta_full        26.08
_diffrn_measured_fraction_theta_full 0.981
_refine_diff_density_max         1.661
_refine_diff_density_min         -1.023
_refine_diff_density_rms         0.091
####################################################################### 
# 
# 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 1487905'
_audit_update_record             
;
2016-06-28 deposited with the CCDC.
2016-10-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        3
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C66 H76 Dy2 N6 O18'
_chemical_formula_weight         1566.33

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

_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                   13.988(2)
_cell_length_b                   15.402(2)
_cell_length_c                   15.741(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.823(2)
_cell_angle_gamma                90.00
_cell_volume                     3351.1(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    185(2)
_cell_measurement_reflns_used    6938
_cell_measurement_theta_min      2.50
_cell_measurement_theta_max      25.00

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1580
_exptl_absorpt_coefficient_mu    2.286
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7111
_exptl_absorpt_correction_T_max  0.7554
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      185(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  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17023
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_sigmaI/netI    0.0602
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.81
_diffrn_reflns_theta_max         25.10
_reflns_number_total             5933
_reflns_number_gt                4409
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0411P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5933
_refine_ls_number_parameters     421
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_gt           0.0374
_refine_ls_wR_factor_ref         0.0933
_refine_ls_wR_factor_gt          0.0830
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.401632(18) 0.474450(14) 0.411660(14) 0.03000(10) Uani 1 1 d . . .
N1 N 0.2713(3) 0.7386(3) 0.3606(3) 0.0397(11) Uani 1 1 d . . .
N2 N 0.5011(3) 0.4744(2) 0.2928(3) 0.0332(10) Uani 1 1 d . . .
N3 N 0.8175(10) 0.9974(7) 0.4269(7) 0.148(5) Uani 1 1 d . . .
O1 O 0.3802(3) 0.6050(2) 0.3366(2) 0.0357(9) Uani 1 1 d . . .
H1 H 0.3681 0.6515 0.3732 0.043 Uiso 1 1 calc R . .
O2 O 0.3840(3) 0.8600(3) 0.4739(3) 0.0637(12) Uani 1 1 d . . .
H2 H 0.4329 0.8279 0.4762 0.096 Uiso 1 1 calc R . .
O3 O 0.1733(4) 0.6709(3) 0.5035(2) 0.0606(12) Uani 1 1 d . . .
H3 H 0.1878 0.6301 0.4725 0.091 Uiso 1 1 calc R . .
O4 O 0.4341(3) 0.3301(2) 0.3546(2) 0.0424(9) Uani 1 1 d . . .
H4 H 0.3916 0.2827 0.3586 0.051 Uiso 1 1 calc R . .
O5 O 0.5591(3) 0.4490(2) 0.4641(2) 0.0334(8) Uani 1 1 d . . .
O6 O 0.3642(3) 0.3688(2) 0.5100(2) 0.0449(10) Uani 1 1 d . . .
O7 O 0.4557(3) 0.2512(2) 0.5019(2) 0.0577(12) Uani 1 1 d . . .
O8 O 0.2532(3) 0.4478(2) 0.3128(3) 0.0473(10) Uani 1 1 d . . .
O9 O 0.2338(3) 0.5237(2) 0.4271(2) 0.0429(9) Uani 1 1 d . . .
C1 C 0.3801(4) 0.6319(3) 0.2578(3) 0.0307(12) Uani 1 1 d . . .
C2 C 0.3251(4) 0.7069(3) 0.2268(3) 0.0380(13) Uani 1 1 d . . .
C3 C 0.3247(4) 0.7364(4) 0.1429(3) 0.0432(14) Uani 1 1 d . . .
H3A H 0.2851 0.7847 0.1234 0.052 Uiso 1 1 calc R . .
C4 C 0.3793(4) 0.6986(4) 0.0871(3) 0.0453(15) Uani 1 1 d . . .
C5 C 0.4346(4) 0.6273(4) 0.1186(3) 0.0420(14) Uani 1 1 d . . .
H5 H 0.4746 0.6009 0.0823 0.050 Uiso 1 1 calc R . .
C6 C 0.4349(4) 0.5920(3) 0.2009(3) 0.0354(13) Uani 1 1 d . . .
C7 C 0.2734(4) 0.7573(3) 0.2813(4) 0.0409(14) Uani 1 1 d . . .
H7 H 0.2389 0.8070 0.2576 0.049 Uiso 1 1 calc R . .
C8 C 0.2269(4) 0.7936(3) 0.4211(3) 0.0408(14) Uani 1 1 d . . .
C9 C 0.1873(5) 0.8775(4) 0.3800(4) 0.0526(16) Uani 1 1 d . . .
H9A H 0.2409 0.9136 0.3669 0.079 Uiso 1 1 calc R . .
H9B H 0.1520 0.9087 0.4198 0.079 Uiso 1 1 calc R . .
H9C H 0.1434 0.8647 0.3268 0.079 Uiso 1 1 calc R . .
C10 C 0.3063(5) 0.8117(4) 0.4975(4) 0.0496(16) Uani 1 1 d . . .
H10A H 0.2781 0.8441 0.5419 0.060 Uiso 1 1 calc R . .
H10B H 0.3312 0.7558 0.5229 0.060 Uiso 1 1 calc R . .
C11 C 0.1436(4) 0.7441(4) 0.4513(4) 0.0527(16) Uani 1 1 d . . .
H11A H 0.1078 0.7843 0.4841 0.063 Uiso 1 1 calc R . .
H11B H 0.0985 0.7245 0.4003 0.063 Uiso 1 1 calc R . .
C12 C 0.3811(5) 0.7350(4) -0.0023(4) 0.067(2) Uani 1 1 d . . .
H12A H 0.3872 0.6873 -0.0423 0.101 Uiso 1 1 calc R . .
H12B H 0.4363 0.7745 -0.0009 0.101 Uiso 1 1 calc R . .
H12C H 0.3210 0.7668 -0.0214 0.101 Uiso 1 1 calc R . .
C13 C 0.5003(4) 0.5199(3) 0.2258(3) 0.0356(12) Uani 1 1 d . . .
H13 H 0.5458 0.5058 0.1889 0.043 Uiso 1 1 calc R . .
C14 C 0.5746(4) 0.4050(3) 0.3158(3) 0.0382(13) Uani 1 1 d . . .
C15 C 0.5185(4) 0.3203(4) 0.3154(3) 0.0476(16) Uani 1 1 d . . .
H15A H 0.4997 0.3004 0.2554 0.057 Uiso 1 1 calc R . .
H15B H 0.5607 0.2753 0.3467 0.057 Uiso 1 1 calc R . .
C16 C 0.6245(4) 0.4292(3) 0.4068(3) 0.0373(13) Uani 1 1 d . . .
H16A H 0.6661 0.3803 0.4306 0.045 Uiso 1 1 calc R . .
H16B H 0.6669 0.4801 0.4027 0.045 Uiso 1 1 calc R . .
C17 C 0.6512(5) 0.3955(4) 0.2571(4) 0.0638(19) Uani 1 1 d . . .
H17A H 0.6200 0.3795 0.1992 0.096 Uiso 1 1 calc R . .
H17B H 0.6974 0.3503 0.2797 0.096 Uiso 1 1 calc R . .
H17C H 0.6854 0.4508 0.2546 0.096 Uiso 1 1 calc R . .
C18 C 0.4065(4) 0.3015(4) 0.5425(4) 0.0447(15) Uani 1 1 d . . .
C19 C 0.3963(4) 0.2786(3) 0.6329(4) 0.0414(14) Uani 1 1 d . . .
C20 C 0.4474(5) 0.2101(4) 0.6760(4) 0.0545(17) Uani 1 1 d . . .
H20 H 0.4908 0.1774 0.6477 0.065 Uiso 1 1 calc R . .
C21 C 0.4364(5) 0.1888(4) 0.7593(4) 0.067(2) Uani 1 1 d . . .
H21 H 0.4710 0.1413 0.7876 0.081 Uiso 1 1 calc R . .
C22 C 0.3752(6) 0.2368(5) 0.8007(4) 0.070(2) Uani 1 1 d . . .
H22 H 0.3676 0.2225 0.8580 0.084 Uiso 1 1 calc R . .
C23 C 0.3256(5) 0.3043(5) 0.7605(4) 0.068(2) Uani 1 1 d . . .
H23 H 0.2837 0.3374 0.7900 0.081 Uiso 1 1 calc R . .
C24 C 0.3353(5) 0.3259(4) 0.6761(4) 0.0529(16) Uani 1 1 d . . .
H24 H 0.2999 0.3733 0.6484 0.064 Uiso 1 1 calc R . .
C25 C 0.2015(4) 0.4941(3) 0.3535(4) 0.0393(14) Uani 1 1 d . . .
C26 C 0.1022(5) 0.5174(4) 0.3125(5) 0.0560(17) Uani 1 1 d . . .
C27 C 0.0319(6) 0.5379(5) 0.3627(6) 0.093(3) Uani 1 1 d . . .
H27 H 0.0471 0.5372 0.4237 0.111 Uiso 1 1 calc R . .
C28 C -0.0609(7) 0.5594(8) 0.3234(11) 0.172(7) Uani 1 1 d . . .
H28 H -0.1111 0.5689 0.3568 0.206 Uiso 1 1 calc R . .
C29 C -0.0787(9) 0.5668(8) 0.2347(13) 0.173(8) Uani 1 1 d . . .
H29 H -0.1410 0.5853 0.2081 0.208 Uiso 1 1 calc R . .
C30 C -0.0120(9) 0.5488(7) 0.1847(8) 0.143(5) Uani 1 1 d . . .
H30 H -0.0265 0.5545 0.1240 0.172 Uiso 1 1 calc R . .
C31 C 0.0799(7) 0.5214(5) 0.2242(5) 0.092(3) Uani 1 1 d . . .
H31 H 0.1271 0.5054 0.1897 0.110 Uiso 1 1 calc R . .
C32 C 0.7551(10) 0.9686(6) 0.4544(7) 0.100(3) Uani 1 1 d . . .
C33 C 0.6795(8) 0.9342(6) 0.4978(7) 0.122(4) Uani 1 1 d . . .
H33A H 0.7073 0.9159 0.5560 0.183 Uiso 1 1 calc R . .
H33B H 0.6492 0.8842 0.4658 0.183 Uiso 1 1 calc R . .
H33C H 0.6306 0.9792 0.5011 0.183 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 O5 2.265(3) . ?
Dy1 O5 2.277(3) 3_666 ?
Dy1 O1 2.329(3) . ?
Dy1 O6 2.360(3) . ?
Dy1 O8 2.431(4) . ?
Dy1 O4 2.466(3) . ?
Dy1 N2 2.496(4) . ?
Dy1 O9 2.514(4) . ?
Dy1 C25 2.824(6) . ?
Dy1 Dy1 3.6850(6) 3_666 ?
N1 C7 1.286(6) . ?
N1 C8 1.480(6) . ?
N2 C13 1.265(6) . ?
N2 C14 1.490(6) . ?
N3 C32 1.123(14) . ?
O1 C1 1.307(5) . ?
O2 C10 1.413(7) . ?
O3 C11 1.418(7) . ?
O4 C15 1.421(6) . ?
O5 C16 1.413(6) . ?
O5 Dy1 2.277(3) 3_666 ?
O6 C18 1.262(6) . ?
O7 C18 1.271(7) . ?
O8 C25 1.258(6) . ?
O9 C25 1.262(6) . ?
C1 C6 1.406(7) . ?
C1 C2 1.432(7) . ?
C2 C3 1.396(7) . ?
C2 C7 1.431(7) . ?
C3 C4 1.378(7) . ?
C4 C5 1.391(7) . ?
C4 C12 1.518(7) . ?
C5 C6 1.404(7) . ?
C6 C13 1.455(7) . ?
C8 C9 1.511(7) . ?
C8 C11 1.528(8) . ?
C8 C10 1.532(8) . ?
C14 C15 1.521(8) . ?
C14 C17 1.526(7) . ?
C14 C16 1.540(7) . ?
C18 C19 1.495(8) . ?
C19 C24 1.378(8) . ?
C19 C20 1.391(8) . ?
C20 C21 1.383(8) . ?
C21 C22 1.368(10) . ?
C22 C23 1.352(9) . ?
C23 C24 1.397(8) . ?
C25 C26 1.484(8) . ?
C26 C31 1.379(10) . ?
C26 C27 1.390(10) . ?
C27 C28 1.389(13) . ?
C28 C29 1.39(2) . ?
C29 C30 1.338(18) . ?
C30 C31 1.404(12) . ?
C32 C33 1.446(14) . ?

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 O5 71.55(13) . 3_666 ?
O5 Dy1 O1 112.14(13) . . ?
O5 Dy1 O1 89.09(11) 3_666 . ?
O5 Dy1 O6 86.71(13) . . ?
O5 Dy1 O6 80.92(13) 3_666 . ?
O1 Dy1 O6 154.75(12) . . ?
O5 Dy1 O8 153.08(12) . . ?
O5 Dy1 O8 134.97(13) 3_666 . ?
O1 Dy1 O8 77.87(12) . . ?
O6 Dy1 O8 92.87(13) . . ?
O5 Dy1 O4 75.74(12) . . ?
O5 Dy1 O4 138.24(12) 3_666 . ?
O1 Dy1 O4 127.60(12) . . ?
O6 Dy1 O4 71.88(12) . . ?
O8 Dy1 O4 78.57(12) . . ?
O5 Dy1 N2 69.55(13) . . ?
O5 Dy1 N2 123.70(13) 3_666 . ?
O1 Dy1 N2 70.30(12) . . ?
O6 Dy1 N2 134.16(12) . . ?
O8 Dy1 N2 92.28(14) . . ?
O4 Dy1 N2 64.66(12) . . ?
O5 Dy1 O9 152.54(12) . . ?
O5 Dy1 O9 82.33(12) 3_666 . ?
O1 Dy1 O9 74.88(12) . . ?
O6 Dy1 O9 80.81(12) . . ?
O8 Dy1 O9 52.72(12) . . ?
O4 Dy1 O9 122.28(12) . . ?
N2 Dy1 O9 135.11(13) . . ?
O5 Dy1 C25 175.37(13) . . ?
O5 Dy1 C25 108.62(15) 3_666 . ?
O1 Dy1 C25 72.47(14) . . ?
O6 Dy1 C25 88.75(15) . . ?
O8 Dy1 C25 26.35(14) . . ?
O4 Dy1 C25 101.96(14) . . ?
N2 Dy1 C25 113.30(15) . . ?
O9 Dy1 C25 26.55(14) . . ?
O5 Dy1 Dy1 35.89(8) . 3_666 ?
O5 Dy1 Dy1 35.67(9) 3_666 3_666 ?
O1 Dy1 Dy1 102.82(9) . 3_666 ?
O6 Dy1 Dy1 82.37(10) . 3_666 ?
O8 Dy1 Dy1 169.99(10) . 3_666 ?
O4 Dy1 Dy1 108.03(9) . 3_666 ?
N2 Dy1 Dy1 97.36(10) . 3_666 ?
O9 Dy1 Dy1 117.58(8) . 3_666 ?
C25 Dy1 Dy1 144.09(12) . 3_666 ?
C7 N1 C8 124.9(4) . . ?
C13 N2 C14 121.1(4) . . ?
C13 N2 Dy1 133.7(4) . . ?
C14 N2 Dy1 105.2(3) . . ?
C1 O1 Dy1 137.4(3) . . ?
C15 O4 Dy1 117.8(3) . . ?
C16 O5 Dy1 119.5(3) . . ?
C16 O5 Dy1 124.4(3) . 3_666 ?
Dy1 O5 Dy1 108.45(13) . 3_666 ?
C18 O6 Dy1 134.0(4) . . ?
C25 O8 Dy1 94.6(3) . . ?
C25 O9 Dy1 90.5(3) . . ?
O1 C1 C6 123.0(5) . . ?
O1 C1 C2 120.0(4) . . ?
C6 C1 C2 116.9(4) . . ?
C3 C2 C7 117.5(5) . . ?
C3 C2 C1 120.5(5) . . ?
C7 C2 C1 121.9(5) . . ?
C4 C3 C2 123.0(5) . . ?
C3 C4 C5 116.0(5) . . ?
C3 C4 C12 121.6(5) . . ?
C5 C4 C12 122.3(5) . . ?
C4 C5 C6 123.9(5) . . ?
C5 C6 C1 119.6(5) . . ?
C5 C6 C13 117.2(5) . . ?
C1 C6 C13 123.0(4) . . ?
N1 C7 C2 123.4(5) . . ?
N1 C8 C9 112.1(4) . . ?
N1 C8 C11 109.3(5) . . ?
C9 C8 C11 108.3(5) . . ?
N1 C8 C10 106.5(4) . . ?
C9 C8 C10 110.7(5) . . ?
C11 C8 C10 110.0(5) . . ?
O2 C10 C8 112.6(5) . . ?
O3 C11 C8 114.1(5) . . ?
N2 C13 C6 124.9(5) . . ?
N2 C14 C15 106.2(5) . . ?
N2 C14 C17 116.4(4) . . ?
C15 C14 C17 109.0(5) . . ?
N2 C14 C16 104.4(4) . . ?
C15 C14 C16 111.8(4) . . ?
C17 C14 C16 109.1(5) . . ?
O4 C15 C14 111.7(4) . . ?
O5 C16 C14 113.6(4) . . ?
O6 C18 O7 123.6(5) . . ?
O6 C18 C19 118.2(5) . . ?
O7 C18 C19 118.2(5) . . ?
C24 C19 C20 118.1(5) . . ?
C24 C19 C18 120.1(5) . . ?
C20 C19 C18 121.8(6) . . ?
C21 C20 C19 121.2(6) . . ?
C22 C21 C20 119.5(7) . . ?
C23 C22 C21 120.4(6) . . ?
C22 C23 C24 120.6(7) . . ?
C19 C24 C23 120.1(6) . . ?
O8 C25 O9 121.3(5) . . ?
O8 C25 C26 119.3(5) . . ?
O9 C25 C26 119.4(5) . . ?
O8 C25 Dy1 59.1(3) . . ?
O9 C25 Dy1 62.9(3) . . ?
C26 C25 Dy1 169.2(4) . . ?
C31 C26 C27 119.5(7) . . ?
C31 C26 C25 120.1(7) . . ?
C27 C26 C25 120.3(7) . . ?
C28 C27 C26 119.7(10) . . ?
C29 C28 C27 118.7(12) . . ?
C30 C29 C28 122.8(11) . . ?
C29 C30 C31 118.4(12) . . ?
C26 C31 C30 120.7(10) . . ?
N3 C32 C33 174.4(13) . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        25.10
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.912
_refine_diff_density_min         -0.739
_refine_diff_density_rms         0.112
