# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_dym
_database_code_depnum_ccdc_archive 'CCDC 1051853'
_audit_update_record             
;
2015-03-03 deposited with the CCDC.
2015-09-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H38 Dy N9 O13'
_chemical_formula_weight         967.25

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'
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)/c

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

_cell_length_a                   11.0970(7)
_cell_length_b                   22.1612(16)
_cell_length_c                   16.3266(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.525(2)
_cell_angle_gamma                90.00
_cell_volume                     4014.9(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    16656
_cell_measurement_theta_min      3.025
_cell_measurement_theta_max      27.645

_exptl_crystal_description       polyhedral
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1948
_exptl_absorpt_coefficient_mu    1.936
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6463
_exptl_absorpt_correction_T_max  0.7381
_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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17041
_diffrn_reflns_av_R_equivalents  0.0618
_diffrn_reflns_av_sigmaI/netI    0.0870
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         26.00
_reflns_number_total             7559
_reflns_number_gt                6202
_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)+(0.0473P)²+2.8930P] 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         7559
_refine_ls_number_parameters     532
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0489
_refine_ls_wR_factor_ref         0.1175
_refine_ls_wR_factor_gt          0.1100
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.098
_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 0.114357(18) 0.204674(10) 0.302399(12) 0.01754(10) Uani 1 1 d . . .
O1W O 0.2953(3) 0.19832(15) 0.3823(2) 0.0260(8) Uani 1 1 d . . .
H1WA H 0.2831 0.1804 0.4275 0.031 Uiso 1 1 d R . .
H1WB H 0.3247 0.2331 0.3916 0.031 Uiso 1 1 d R . .
O1 O 0.2584(3) 0.17560(16) 0.1951(2) 0.0284(8) Uani 1 1 d . . .
O2W O 0.0424(3) 0.25544(16) 0.18534(19) 0.0272(8) Uani 1 1 d . . .
H2WA H 0.0950 0.2790 0.1654 0.033 Uiso 1 1 d R . .
H2WB H -0.0216 0.2751 0.1952 0.033 Uiso 1 1 d R . .
O2 O 0.2786(3) 0.26559(16) 0.24341(19) 0.0244(7) Uani 1 1 d . . .
O3W O -0.0990(3) 0.21619(15) 0.31085(19) 0.0225(7) Uani 1 1 d . . .
H3WA H -0.1205 0.2323 0.3556 0.027 Uiso 1 1 d R . .
H3WB H -0.1360 0.1830 0.3037 0.027 Uiso 1 1 d R . .
O3 O 0.4132(3) 0.2317(2) 0.1604(2) 0.0395(9) Uani 1 1 d . . .
O4W O 0.0541(3) 0.17661(17) 0.43353(19) 0.0307(8) Uani 1 1 d . . .
H4WA H 0.1133 0.1695 0.4655 0.037 Uiso 1 1 d R . .
H4WB H 0.0051 0.1471 0.4335 0.037 Uiso 1 1 d R . .
N1 N 0.1148(4) 0.30742(18) 0.3725(2) 0.0236(9) Uani 1 1 d . . .
N2 N 0.1925(4) 0.70556(19) 0.5719(3) 0.0269(10) Uani 1 1 d . . .
C1 C 0.1044(5) 0.3589(2) 0.3293(3) 0.0283(11) Uani 1 1 d . . .
H1 H 0.0877 0.3560 0.2722 0.034 Uiso 1 1 calc R . .
C2 C 0.1165(5) 0.4149(3) 0.3629(3) 0.0357(13) Uani 1 1 d . . .
H2 H 0.1051 0.4496 0.3296 0.043 Uiso 1 1 calc R . .
C3 C 0.1457(4) 0.4217(2) 0.4464(3) 0.0266(11) Uani 1 1 d . . .
C4 C 0.1566(5) 0.3689(2) 0.4905(3) 0.0307(12) Uani 1 1 d . . .
H4 H 0.1744 0.3705 0.5474 0.037 Uiso 1 1 calc R . .
C5 C 0.1417(5) 0.3137(3) 0.4525(3) 0.0313(12) Uani 1 1 d . . .
H5 H 0.1511 0.2782 0.4847 0.038 Uiso 1 1 calc R . .
C6 C 0.1639(5) 0.4805(3) 0.4862(3) 0.0318(12) Uani 1 1 d . . .
H6 H 0.1865 0.4798 0.5424 0.038 Uiso 1 1 calc R . .
C7 C 0.1522(5) 0.5341(3) 0.4526(3) 0.0317(12) Uani 1 1 d . . .
H7 H 0.1293 0.5353 0.3964 0.038 Uiso 1 1 calc R . .
C8 C 0.1714(4) 0.5926(2) 0.4941(3) 0.0255(11) Uani 1 1 d . . .
C9 C 0.1454(5) 0.6459(3) 0.4529(3) 0.0332(13) Uani 1 1 d . . .
H9 H 0.1202 0.6450 0.3972 0.040 Uiso 1 1 calc R . .
C10 C 0.1566(5) 0.7002(2) 0.4934(3) 0.0296(12) Uani 1 1 d . . .
H10 H 0.1378 0.7360 0.4641 0.035 Uiso 1 1 calc R . .
C11 C 0.2197(5) 0.6540(2) 0.6103(3) 0.0324(12) Uani 1 1 d . . .
H11 H 0.2475 0.6564 0.6655 0.039 Uiso 1 1 calc R . .
C12 C 0.2099(5) 0.5979(2) 0.5752(3) 0.0328(12) Uani 1 1 d . . .
H12 H 0.2294 0.5628 0.6061 0.039 Uiso 1 1 calc R . .
N3 N 0.2823(4) 0.6360(2) 0.2353(2) 0.0316(10) Uani 1 1 d . . .
N4 N 0.8288(4) 0.3159(2) 0.1637(2) 0.0263(9) Uani 1 1 d . . .
N5 N 0.8524(4) 0.3866(2) -0.0410(2) 0.0313(10) Uani 1 1 d . . .
C13 C 0.7125(5) 0.3004(2) 0.1682(3) 0.0278(12) Uani 1 1 d . . .
H13 H 0.6920 0.2590 0.1633 0.033 Uiso 1 1 calc R . .
C14 C 0.6202(4) 0.3417(2) 0.1798(3) 0.0251(11) Uani 1 1 d . . .
H14 H 0.5389 0.3284 0.1823 0.030 Uiso 1 1 calc R . .
C15 C 0.6481(4) 0.4029(2) 0.1876(3) 0.0222(10) Uani 1 1 d . . .
C16 C 0.7691(4) 0.4192(2) 0.1821(3) 0.0230(10) Uani 1 1 d . . .
H16 H 0.7926 0.4603 0.1869 0.028 Uiso 1 1 calc R . .
C17 C 0.8541(4) 0.3750(3) 0.1696(3) 0.0283(11) Uani 1 1 d . . .
H17 H 0.9359 0.3870 0.1648 0.034 Uiso 1 1 calc R . .
C18 C 0.5513(4) 0.4466(2) 0.2001(3) 0.0244(11) Uani 1 1 d . . .
H18 H 0.4710 0.4319 0.1964 0.029 Uiso 1 1 calc R . .
C19 C 0.5654(4) 0.5050(2) 0.2160(3) 0.0268(11) Uani 1 1 d . . .
H19 H 0.6453 0.5198 0.2220 0.032 Uiso 1 1 calc R . .
C20 C 0.4662(4) 0.5484(2) 0.2251(3) 0.0244(11) Uani 1 1 d . . .
C21 C 0.3452(4) 0.5324(2) 0.2322(3) 0.0272(11) Uani 1 1 d . . .
H21 H 0.3224 0.4911 0.2333 0.033 Uiso 1 1 calc R . .
C22 C 0.2580(4) 0.5773(3) 0.2378(3) 0.0301(12) Uani 1 1 d . . .
H22 H 0.1764 0.5653 0.2438 0.036 Uiso 1 1 calc R . .
C23 C 0.3983(4) 0.6516(3) 0.2285(3) 0.0313(12) Uani 1 1 d . . .
H23 H 0.4173 0.6934 0.2263 0.038 Uiso 1 1 calc R . .
C24 C 0.4920(4) 0.6107(2) 0.2245(3) 0.0304(12) Uani 1 1 d . . .
H24 H 0.5730 0.6244 0.2213 0.036 Uiso 1 1 calc R . .
C25 C 0.5567(5) 0.5071(3) -0.0029(3) 0.0318(12) Uani 1 1 d . . .
H25 H 0.5765 0.5487 0.0014 0.038 Uiso 1 1 calc R . .
C26 C 0.6568(5) 0.4649(2) -0.0152(3) 0.0284(12) Uani 1 1 d . . .
C27 C 0.7729(5) 0.4863(3) -0.0224(3) 0.0373(13) Uani 1 1 d . . .
H27 H 0.7889 0.5283 -0.0179 0.045 Uiso 1 1 calc R . .
C28 C 0.8672(5) 0.4456(3) -0.0363(3) 0.0362(13) Uani 1 1 d . . .
H28 H 0.9461 0.4614 -0.0427 0.043 Uiso 1 1 calc R . .
C29 C 0.7403(5) 0.3655(3) -0.0334(3) 0.0297(12) Uani 1 1 d . . .
H29 H 0.7281 0.3232 -0.0370 0.036 Uiso 1 1 calc R . .
C30 C 0.6407(4) 0.4021(2) -0.0206(3) 0.0272(11) Uani 1 1 d . . .
H30 H 0.5627 0.3849 -0.0156 0.033 Uiso 1 1 calc R . .
N6 N 0.4362(4) 0.3005(2) 0.4066(3) 0.0305(10) Uani 1 1 d . . .
C31 C 0.5081(5) 0.4728(2) 0.5165(3) 0.0285(11) Uani 1 1 d . . .
H31 H 0.5374 0.4718 0.5714 0.034 Uiso 1 1 calc R . .
C32 C 0.4857(4) 0.4146(2) 0.4774(3) 0.0261(11) Uani 1 1 d . . .
C33 C 0.5015(5) 0.3611(3) 0.5214(3) 0.0329(13) Uani 1 1 d . . .
H33 H 0.5291 0.3623 0.5766 0.039 Uiso 1 1 calc R . .
C34 C 0.4770(6) 0.3062(3) 0.4842(3) 0.0370(14) Uani 1 1 d . . .
H34 H 0.4896 0.2705 0.5153 0.044 Uiso 1 1 calc R . .
C35 C 0.4218(5) 0.3522(2) 0.3645(3) 0.0281(12) Uani 1 1 d . . .
H35 H 0.3939 0.3497 0.3094 0.034 Uiso 1 1 calc R . .
C36 C 0.4450(4) 0.4083(2) 0.3962(3) 0.0256(11) Uani 1 1 d . . .
H36 H 0.4335 0.4431 0.3631 0.031 Uiso 1 1 calc R . .
N7 N 0.3199(4) 0.2245(2) 0.1981(2) 0.0236(9) Uani 1 1 d . . .
N8 N 0.0833(4) 0.0794(2) 0.2531(3) 0.0344(11) Uani 1 1 d . . .
N9 N 0.2637(4) 0.3562(2) 0.0898(3) 0.0322(11) Uani 1 1 d . . .
O4 O 0.1589(3) 0.09203(17) 0.3090(2) 0.0353(9) Uani 1 1 d . . .
O5 O 0.0200(3) 0.12223(16) 0.2255(2) 0.0292(8) Uani 1 1 d . . .
O6 O 0.0690(5) 0.0279(2) 0.2281(3) 0.0699(15) Uani 1 1 d U . .
O7 O 0.2755(4) 0.3872(2) 0.1523(2) 0.0501(11) Uani 1 1 d . . .
O8 O 0.3409(4) 0.3552(2) 0.0362(2) 0.0443(10) Uani 1 1 d U . .
O9 O 0.1673(4) 0.3255(3) 0.0789(2) 0.0610(15) 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 O4W 2.333(3) . ?
Dy1 O2W 2.351(3) . ?
Dy1 O3W 2.386(3) . ?
Dy1 O1W 2.388(3) . ?
Dy1 O5 2.447(3) . ?
Dy1 O1 2.468(3) . ?
Dy1 O2 2.470(3) . ?
Dy1 O4 2.547(4) . ?
Dy1 N1 2.548(4) . ?
Dy1 N7 2.893(4) . ?
Dy1 N8 2.910(4) . ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8499 . ?
O1 N7 1.281(5) . ?
O2W H2WA 0.8501 . ?
O2W H2WB 0.8501 . ?
O2 N7 1.263(5) . ?
O3W H3WA 0.8500 . ?
O3W H3WB 0.8499 . ?
O3 N7 1.220(5) . ?
O4W H4WA 0.8500 . ?
O4W H4WB 0.8500 . ?
N1 C5 1.345(6) . ?
N1 C1 1.345(7) . ?
N2 C11 1.336(7) . ?
N2 C10 1.343(7) . ?
C1 C2 1.364(7) . ?
C1 H1 0.9500 . ?
C2 C3 1.407(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.377(7) . ?
C3 C6 1.470(7) . ?
C4 C5 1.380(7) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.313(8) . ?
C6 H6 0.9500 . ?
C7 C8 1.478(7) . ?
C7 H7 0.9500 . ?
C8 C9 1.389(7) . ?
C8 C12 1.392(7) . ?
C9 C10 1.377(7) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.374(7) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
N3 C22 1.329(7) . ?
N3 C23 1.338(7) . ?
N4 C13 1.338(7) . ?
N4 C17 1.342(7) . ?
N5 C28 1.320(7) . ?
N5 C29 1.336(7) . ?
C13 C14 1.387(7) . ?
C13 H13 0.9500 . ?
C14 C15 1.398(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.395(7) . ?
C15 C18 1.461(7) . ?
C16 C17 1.377(7) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.328(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.469(7) . ?
C19 H19 0.9500 . ?
C20 C21 1.395(7) . ?
C20 C24 1.411(7) . ?
C21 C22 1.391(7) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.382(7) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C25 1.301(11) 3_665 ?
C25 C26 1.468(7) . ?
C25 H25 0.9500 . ?
C26 C27 1.379(7) . ?
C26 C30 1.406(8) . ?
C27 C28 1.401(8) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.389(7) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
N6 C35 1.346(7) . ?
N6 C34 1.347(7) . ?
C31 C31 1.330(10) 3_666 ?
C31 C32 1.460(7) . ?
C31 H31 0.9500 . ?
C32 C33 1.397(7) . ?
C32 C36 1.404(6) . ?
C33 C34 1.385(8) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C36 1.371(7) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
N8 O6 1.222(6) . ?
N8 O5 1.261(5) . ?
N8 O4 1.265(5) . ?
N9 O8 1.231(6) . ?
N9 O7 1.234(6) . ?
N9 O9 1.278(6) . ?

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
O4W Dy1 O2W 140.85(12) . . ?
O4W Dy1 O3W 71.50(11) . . ?
O2W Dy1 O3W 70.50(11) . . ?
O4W Dy1 O1W 74.31(12) . . ?
O2W Dy1 O1W 138.56(12) . . ?
O3W Dy1 O1W 143.53(11) . . ?
O4W Dy1 O5 98.45(12) . . ?
O2W Dy1 O5 78.45(12) . . ?
O3W Dy1 O5 71.91(11) . . ?
O1W Dy1 O5 126.14(11) . . ?
O4W Dy1 O1 140.78(13) . . ?
O2W Dy1 O1 76.41(11) . . ?
O3W Dy1 O1 135.90(11) . . ?
O1W Dy1 O1 79.97(11) . . ?
O5 Dy1 O1 73.59(11) . . ?
O4W Dy1 O2 136.22(11) . . ?
O2W Dy1 O2 70.60(11) . . ?
O3W Dy1 O2 134.41(11) . . ?
O1W Dy1 O2 68.02(11) . . ?
O5 Dy1 O2 121.45(11) . . ?
O1 Dy1 O2 51.77(11) . . ?
O4W Dy1 O4 75.94(13) . . ?
O2W Dy1 O4 124.59(11) . . ?
O3W Dy1 O4 107.13(12) . . ?
O1W Dy1 O4 75.95(11) . . ?
O5 Dy1 O4 51.07(11) . . ?
O1 Dy1 O4 69.36(12) . . ?
O2 Dy1 O4 114.11(12) . . ?
O4W Dy1 N1 79.95(13) . . ?
O2W Dy1 N1 86.37(12) . . ?
O3W Dy1 N1 82.90(12) . . ?
O1W Dy1 N1 79.01(12) . . ?
O5 Dy1 N1 153.73(12) . . ?
O1 Dy1 N1 123.61(12) . . ?
O2 Dy1 N1 71.85(12) . . ?
O4 Dy1 N1 149.00(12) . . ?
O4W Dy1 N7 144.57(11) . . ?
O2W Dy1 N7 73.29(11) . . ?
O3W Dy1 N7 143.69(11) . . ?
O1W Dy1 N7 70.55(11) . . ?
O5 Dy1 N7 98.45(12) . . ?
O1 Dy1 N7 26.14(11) . . ?
O2 Dy1 N7 25.73(11) . . ?
O4 Dy1 N7 91.13(12) . . ?
N1 Dy1 N7 97.51(13) . . ?
O4W Dy1 N8 88.00(13) . . ?
O2W Dy1 N8 101.15(13) . . ?
O3W Dy1 N8 90.16(12) . . ?
O1W Dy1 N8 101.05(12) . . ?
O5 Dy1 N8 25.40(11) . . ?
O1 Dy1 N8 68.32(13) . . ?
O2 Dy1 N8 119.97(12) . . ?
O4 Dy1 N8 25.72(11) . . ?
N1 Dy1 N8 167.50(13) . . ?
N7 Dy1 N8 94.24(13) . . ?
Dy1 O1W H1WA 111.3 . . ?
Dy1 O1W H1WB 111.4 . . ?
H1WA O1W H1WB 109.3 . . ?
N7 O1 Dy1 95.8(3) . . ?
Dy1 O2W H2WA 112.1 . . ?
Dy1 O2W H2WB 111.6 . . ?
H2WA O2W H2WB 109.6 . . ?
N7 O2 Dy1 96.2(3) . . ?
Dy1 O3W H3WA 112.4 . . ?
Dy1 O3W H3WB 112.3 . . ?
H3WA O3W H3WB 110.0 . . ?
Dy1 O4W H4WA 112.8 . . ?
Dy1 O4W H4WB 113.2 . . ?
H4WA O4W H4WB 110.4 . . ?
C5 N1 C1 116.1(5) . . ?
C5 N1 Dy1 121.9(3) . . ?
C1 N1 Dy1 121.4(3) . . ?
C11 N2 C10 115.9(4) . . ?
N1 C1 C2 123.6(5) . . ?
N1 C1 H1 118.2 . . ?
C2 C1 H1 118.2 . . ?
C1 C2 C3 120.5(5) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 H2 119.7 . . ?
C4 C3 C2 115.7(5) . . ?
C4 C3 C6 120.8(4) . . ?
C2 C3 C6 123.5(5) . . ?
C3 C4 C5 120.6(5) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
N1 C5 C4 123.5(5) . . ?
N1 C5 H5 118.2 . . ?
C4 C5 H5 118.2 . . ?
C7 C6 C3 127.2(5) . . ?
C7 C6 H6 116.4 . . ?
C3 C6 H6 116.4 . . ?
C6 C7 C8 126.0(5) . . ?
C6 C7 H7 117.0 . . ?
C8 C7 H7 117.0 . . ?
C9 C8 C12 116.7(5) . . ?
C9 C8 C7 119.8(4) . . ?
C12 C8 C7 123.5(5) . . ?
C10 C9 C8 119.6(4) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
N2 C10 C9 124.1(5) . . ?
N2 C10 H10 118.0 . . ?
C9 C10 H10 118.0 . . ?
N2 C11 C12 124.1(5) . . ?
N2 C11 H11 117.9 . . ?
C12 C11 H11 117.9 . . ?
C11 C12 C8 119.7(5) . . ?
C11 C12 H12 120.1 . . ?
C8 C12 H12 120.1 . . ?
C22 N3 C23 116.9(4) . . ?
C13 N4 C17 116.5(4) . . ?
C28 N5 C29 117.2(5) . . ?
N4 C13 C14 123.6(5) . . ?
N4 C13 H13 118.2 . . ?
C14 C13 H13 118.2 . . ?
C13 C14 C15 119.3(5) . . ?
C13 C14 H14 120.3 . . ?
C15 C14 H14 120.3 . . ?
C16 C15 C14 117.2(4) . . ?
C16 C15 C18 123.1(5) . . ?
C14 C15 C18 119.6(5) . . ?
C17 C16 C15 119.1(5) . . ?
C17 C16 H16 120.4 . . ?
C15 C16 H16 120.4 . . ?
N4 C17 C16 124.2(5) . . ?
N4 C17 H17 117.9 . . ?
C16 C17 H17 117.9 . . ?
C19 C18 C15 126.0(5) . . ?
C19 C18 H18 117.0 . . ?
C15 C18 H18 117.0 . . ?
C18 C19 C20 124.8(5) . . ?
C18 C19 H19 117.6 . . ?
C20 C19 H19 117.6 . . ?
C21 C20 C24 116.4(5) . . ?
C21 C20 C19 124.4(5) . . ?
C24 C20 C19 119.2(5) . . ?
C22 C21 C20 119.7(5) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
N3 C22 C21 123.8(5) . . ?
N3 C22 H22 118.1 . . ?
C21 C22 H22 118.1 . . ?
N3 C23 C24 124.0(5) . . ?
N3 C23 H23 118.0 . . ?
C24 C23 H23 118.0 . . ?
C23 C24 C20 119.3(5) . . ?
C23 C24 H24 120.4 . . ?
C20 C24 H24 120.4 . . ?
C25 C25 C26 126.1(7) 3_665 . ?
C25 C25 H25 117.0 3_665 . ?
C26 C25 H25 117.0 . . ?
C27 C26 C30 116.9(5) . . ?
C27 C26 C25 120.1(5) . . ?
C30 C26 C25 122.9(5) . . ?
C26 C27 C28 119.5(6) . . ?
C26 C27 H27 120.3 . . ?
C28 C27 H27 120.3 . . ?
N5 C28 C27 123.7(5) . . ?
N5 C28 H28 118.2 . . ?
C27 C28 H28 118.2 . . ?
N5 C29 C30 123.5(5) . . ?
N5 C29 H29 118.2 . . ?
C30 C29 H29 118.2 . . ?
C29 C30 C26 119.1(5) . . ?
C29 C30 H30 120.4 . . ?
C26 C30 H30 120.4 . . ?
C35 N6 C34 115.9(5) . . ?
C31 C31 C32 126.9(5) 3_666 . ?
C31 C31 H31 116.5 3_666 . ?
C32 C31 H31 116.5 . . ?
C33 C32 C36 116.0(5) . . ?
C33 C32 C31 120.4(4) . . ?
C36 C32 C31 123.6(5) . . ?
C34 C33 C32 119.8(5) . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
N6 C34 C33 124.0(5) . . ?
N6 C34 H34 118.0 . . ?
C33 C34 H34 118.0 . . ?
N6 C35 C36 123.9(4) . . ?
N6 C35 H35 118.0 . . ?
C36 C35 H35 118.0 . . ?
C35 C36 C32 120.4(5) . . ?
C35 C36 H36 119.8 . . ?
C32 C36 H36 119.8 . . ?
O3 N7 O2 121.0(4) . . ?
O3 N7 O1 123.1(4) . . ?
O2 N7 O1 115.9(4) . . ?
O3 N7 Dy1 174.0(3) . . ?
O2 N7 Dy1 58.1(2) . . ?
O1 N7 Dy1 58.1(2) . . ?
O6 N8 O5 120.9(4) . . ?
O6 N8 O4 122.0(4) . . ?
O5 N8 O4 117.0(4) . . ?
O6 N8 Dy1 176.4(4) . . ?
O5 N8 Dy1 56.3(2) . . ?
O4 N8 Dy1 60.9(2) . . ?
O8 N9 O7 121.9(4) . . ?
O8 N9 O9 118.5(5) . . ?
O7 N9 O9 119.5(5) . . ?
N8 O4 Dy1 93.4(3) . . ?
N8 O5 Dy1 98.3(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
O4W Dy1 O1 N7 -115.4(3) . . . . ?
O2W Dy1 O1 N7 79.7(3) . . . . ?
O3W Dy1 O1 N7 121.7(2) . . . . ?
O1W Dy1 O1 N7 -66.0(3) . . . . ?
O5 Dy1 O1 N7 161.5(3) . . . . ?
O2 Dy1 O1 N7 3.9(2) . . . . ?
O4 Dy1 O1 N7 -144.6(3) . . . . ?
N1 Dy1 O1 N7 3.5(3) . . . . ?
N8 Dy1 O1 N7 -172.2(3) . . . . ?
O4W Dy1 O2 N7 123.2(3) . . . . ?
O2W Dy1 O2 N7 -91.6(3) . . . . ?
O3W Dy1 O2 N7 -124.4(2) . . . . ?
O1W Dy1 O2 N7 90.6(3) . . . . ?
O5 Dy1 O2 N7 -29.3(3) . . . . ?
O1 Dy1 O2 N7 -3.9(2) . . . . ?
O4 Dy1 O2 N7 28.5(3) . . . . ?
N1 Dy1 O2 N7 175.8(3) . . . . ?
N8 Dy1 O2 N7 0.3(3) . . . . ?
O4W Dy1 N1 C5 32.0(4) . . . . ?
O2W Dy1 N1 C5 175.2(4) . . . . ?
O3W Dy1 N1 C5 104.4(4) . . . . ?
O1W Dy1 N1 C5 -43.8(4) . . . . ?
O5 Dy1 N1 C5 120.8(4) . . . . ?
O1 Dy1 N1 C5 -113.8(4) . . . . ?
O2 Dy1 N1 C5 -114.0(4) . . . . ?
O4 Dy1 N1 C5 -7.2(5) . . . . ?
N7 Dy1 N1 C5 -112.2(4) . . . . ?
N8 Dy1 N1 C5 47.7(8) . . . . ?
O4W Dy1 N1 C1 -157.2(4) . . . . ?
O2W Dy1 N1 C1 -14.1(4) . . . . ?
O3W Dy1 N1 C1 -84.8(4) . . . . ?
O1W Dy1 N1 C1 127.0(4) . . . . ?
O5 Dy1 N1 C1 -68.5(5) . . . . ?
O1 Dy1 N1 C1 57.0(4) . . . . ?
O2 Dy1 N1 C1 56.7(4) . . . . ?
O4 Dy1 N1 C1 163.5(3) . . . . ?
N7 Dy1 N1 C1 58.6(4) . . . . ?
N8 Dy1 N1 C1 -141.6(5) . . . . ?
C5 N1 C1 C2 -1.8(8) . . . . ?
Dy1 N1 C1 C2 -173.0(4) . . . . ?
N1 C1 C2 C3 2.4(9) . . . . ?
C1 C2 C3 C4 -2.1(8) . . . . ?
C1 C2 C3 C6 178.1(5) . . . . ?
C2 C3 C4 C5 1.4(8) . . . . ?
C6 C3 C4 C5 -178.7(5) . . . . ?
C1 N1 C5 C4 1.0(8) . . . . ?
Dy1 N1 C5 C4 172.2(4) . . . . ?
C3 C4 C5 N1 -1.0(8) . . . . ?
C4 C3 C6 C7 -177.3(5) . . . . ?
C2 C3 C6 C7 2.5(9) . . . . ?
C3 C6 C7 C8 -179.8(5) . . . . ?
C6 C7 C8 C9 -174.3(5) . . . . ?
C6 C7 C8 C12 2.7(9) . . . . ?
C12 C8 C9 C10 -1.1(8) . . . . ?
C7 C8 C9 C10 176.2(5) . . . . ?
C11 N2 C10 C9 0.9(8) . . . . ?
C8 C9 C10 N2 0.5(9) . . . . ?
C10 N2 C11 C12 -1.7(8) . . . . ?
N2 C11 C12 C8 1.1(9) . . . . ?
C9 C8 C12 C11 0.4(8) . . . . ?
C7 C8 C12 C11 -176.7(5) . . . . ?
C17 N4 C13 C14 -1.0(7) . . . . ?
N4 C13 C14 C15 -0.3(7) . . . . ?
C13 C14 C15 C16 0.9(7) . . . . ?
C13 C14 C15 C18 -179.8(4) . . . . ?
C14 C15 C16 C17 -0.1(6) . . . . ?
C18 C15 C16 C17 -179.4(4) . . . . ?
C13 N4 C17 C16 1.9(7) . . . . ?
C15 C16 C17 N4 -1.3(7) . . . . ?
C16 C15 C18 C19 -7.4(7) . . . . ?
C14 C15 C18 C19 173.3(5) . . . . ?
C15 C18 C19 C20 177.5(4) . . . . ?
C18 C19 C20 C21 11.6(7) . . . . ?
C18 C19 C20 C24 -166.5(5) . . . . ?
C24 C20 C21 C22 0.3(7) . . . . ?
C19 C20 C21 C22 -177.9(4) . . . . ?
C23 N3 C22 C21 -1.3(7) . . . . ?
C20 C21 C22 N3 1.3(8) . . . . ?
C22 N3 C23 C24 -0.3(8) . . . . ?
N3 C23 C24 C20 1.9(8) . . . . ?
C21 C20 C24 C23 -1.8(7) . . . . ?
C19 C20 C24 C23 176.5(4) . . . . ?
C25 C25 C26 C27 178.3(6) 3_665 . . . ?
C25 C25 C26 C30 -1.5(9) 3_665 . . . ?
C30 C26 C27 C28 1.5(7) . . . . ?
C25 C26 C27 C28 -178.4(5) . . . . ?
C29 N5 C28 C27 1.2(8) . . . . ?
C26 C27 C28 N5 -1.9(8) . . . . ?
C28 N5 C29 C30 -0.3(7) . . . . ?
N5 C29 C30 C26 0.0(7) . . . . ?
C27 C26 C30 C29 -0.6(7) . . . . ?
C25 C26 C30 C29 179.2(4) . . . . ?
C31 C31 C32 C33 -176.9(7) 3_666 . . . ?
C31 C31 C32 C36 1.5(10) 3_666 . . . ?
C36 C32 C33 C34 -0.2(8) . . . . ?
C31 C32 C33 C34 178.3(5) . . . . ?
C35 N6 C34 C33 1.2(9) . . . . ?
C32 C33 C34 N6 -0.8(9) . . . . ?
C34 N6 C35 C36 -0.5(8) . . . . ?
N6 C35 C36 C32 -0.4(8) . . . . ?
C33 C32 C36 C35 0.8(7) . . . . ?
C31 C32 C36 C35 -177.7(5) . . . . ?
Dy1 O2 N7 O3 -173.0(4) . . . . ?
Dy1 O2 N7 O1 6.6(4) . . . . ?
Dy1 O1 N7 O3 173.0(4) . . . . ?
Dy1 O1 N7 O2 -6.6(4) . . . . ?
O4W Dy1 N7 O3 -3(3) . . . . ?
O2W Dy1 N7 O3 164(3) . . . . ?
O3W Dy1 N7 O3 168(3) . . . . ?
O1W Dy1 N7 O3 4(3) . . . . ?
O5 Dy1 N7 O3 -121(3) . . . . ?
O1 Dy1 N7 O3 -103(3) . . . . ?
O2 Dy1 N7 O3 84(3) . . . . ?
O4 Dy1 N7 O3 -70(3) . . . . ?
N1 Dy1 N7 O3 80(3) . . . . ?
N8 Dy1 N7 O3 -96(3) . . . . ?
O4W Dy1 N7 O2 -87.3(3) . . . . ?
O2W Dy1 N7 O2 79.9(3) . . . . ?
O3W Dy1 N7 O2 84.2(3) . . . . ?
O1W Dy1 N7 O2 -79.5(2) . . . . ?
O5 Dy1 N7 O2 155.0(2) . . . . ?
O1 Dy1 N7 O2 173.0(4) . . . . ?
O4 Dy1 N7 O2 -154.2(2) . . . . ?
N1 Dy1 N7 O2 -4.0(3) . . . . ?
N8 Dy1 N7 O2 -179.8(2) . . . . ?
O4W Dy1 N7 O1 99.7(3) . . . . ?
O2W Dy1 N7 O1 -93.1(3) . . . . ?
O3W Dy1 N7 O1 -88.8(3) . . . . ?
O1W Dy1 N7 O1 107.5(3) . . . . ?
O5 Dy1 N7 O1 -18.0(3) . . . . ?
O2 Dy1 N7 O1 -173.0(4) . . . . ?
O4 Dy1 N7 O1 32.8(3) . . . . ?
N1 Dy1 N7 O1 -177.0(3) . . . . ?
N8 Dy1 N7 O1 7.2(3) . . . . ?
O4W Dy1 N8 O6 153(7) . . . . ?
O2W Dy1 N8 O6 11(7) . . . . ?
O3W Dy1 N8 O6 82(7) . . . . ?
O1W Dy1 N8 O6 -133(7) . . . . ?
O5 Dy1 N8 O6 38(6) . . . . ?
O1 Dy1 N8 O6 -59(7) . . . . ?
O2 Dy1 N8 O6 -62(7) . . . . ?
O4 Dy1 N8 O6 -146(7) . . . . ?
N1 Dy1 N8 O6 138(6) . . . . ?
N7 Dy1 N8 O6 -62(7) . . . . ?
O4W Dy1 N8 O5 114.6(3) . . . . ?
O2W Dy1 N8 O5 -27.0(3) . . . . ?
O3W Dy1 N8 O5 43.1(3) . . . . ?
O1W Dy1 N8 O5 -171.8(3) . . . . ?
O1 Dy1 N8 O5 -97.4(3) . . . . ?
O2 Dy1 N8 O5 -100.9(3) . . . . ?
O4 Dy1 N8 O5 175.4(5) . . . . ?
N1 Dy1 N8 O5 99.2(6) . . . . ?
N7 Dy1 N8 O5 -100.8(3) . . . . ?
O4W Dy1 N8 O4 -60.8(3) . . . . ?
O2W Dy1 N8 O4 157.6(3) . . . . ?
O3W Dy1 N8 O4 -132.3(3) . . . . ?
O1W Dy1 N8 O4 12.8(3) . . . . ?
O5 Dy1 N8 O4 -175.4(5) . . . . ?
O1 Dy1 N8 O4 87.2(3) . . . . ?
O2 Dy1 N8 O4 83.7(3) . . . . ?
N1 Dy1 N8 O4 -76.2(7) . . . . ?
N7 Dy1 N8 O4 83.8(3) . . . . ?
O6 N8 O4 Dy1 177.7(5) . . . . ?
O5 N8 O4 Dy1 -4.3(5) . . . . ?
O4W Dy1 O4 N8 115.9(3) . . . . ?
O2W Dy1 O4 N8 -27.1(3) . . . . ?
O3W Dy1 O4 N8 50.7(3) . . . . ?
O1W Dy1 O4 N8 -167.1(3) . . . . ?
O5 Dy1 O4 N8 2.5(3) . . . . ?
O1 Dy1 O4 N8 -82.7(3) . . . . ?
O2 Dy1 O4 N8 -109.4(3) . . . . ?
N1 Dy1 O4 N8 155.9(3) . . . . ?
N7 Dy1 O4 N8 -97.4(3) . . . . ?
O6 N8 O5 Dy1 -177.4(5) . . . . ?
O4 N8 O5 Dy1 4.5(5) . . . . ?
O4W Dy1 O5 N8 -66.7(3) . . . . ?
O2W Dy1 O5 N8 152.9(3) . . . . ?
O3W Dy1 O5 N8 -134.0(3) . . . . ?
O1W Dy1 O5 N8 10.0(3) . . . . ?
O1 Dy1 O5 N8 73.9(3) . . . . ?
O2 Dy1 O5 N8 94.4(3) . . . . ?
O4 Dy1 O5 N8 -2.6(3) . . . . ?
N1 Dy1 O5 N8 -151.1(3) . . . . ?
N7 Dy1 O5 N8 82.0(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1WA O8 0.85 2.04 2.821(5) 152.3 4_566
O1W H1WB N6 0.85 1.95 2.779(5) 163.3 .
O2W H2WA O9 0.85 1.93 2.721(5) 154.2 .
O2W H2WB N4 0.85 1.96 2.743(5) 153.6 1_455
O3W H3WA N2 0.85 1.99 2.791(5) 157.1 3_566
O3W H3WB N3 0.85 2.03 2.800(5) 150.8 2_545
O4W H4WA O9 0.85 1.94 2.675(5) 143.6 4_566
O4W H4WB N5 0.85 1.90 2.677(5) 150.9 4_466

_diffrn_measured_fraction_theta_max 0.956
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.956
_refine_diff_density_max         3.102
_refine_diff_density_min         -1.890
_refine_diff_density_rms         0.154
####################################################################### 
# 
# 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_dym
_database_code_depnum_ccdc_archive 'CCDC 1051854'
_audit_update_record             
;
2015-03-03 deposited with the CCDC.
2015-09-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H76 Dy2 N18 O26'
_chemical_formula_weight         1934.50

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

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   11.0390(3)
_cell_length_b                   21.8260(4)
_cell_length_c                   16.5559(3)
_cell_angle_alpha                90
_cell_angle_beta                 93.7320(10)
_cell_angle_gamma                90
_cell_volume                     3980.47(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_F_000             1948
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.487
_exptl_crystal_size_mid          0.356
_exptl_crystal_size_min          0.312
_exptl_absorpt_coefficient_mu    1.953
_shelx_estimated_absorpt_T_min   0.450
_shelx_estimated_absorpt_T_max   0.581
_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_source                   ?
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26568
_diffrn_reflns_av_unetI/netI     0.0471
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.059
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.988
_reflns_number_total             8942
_reflns_number_gt                7980
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
; 
 w=1/[σ²(Fo²)+(0.0304P)²+4.4690P] 
 where P=(Fo²+2Fc²)/3 
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8942
_refine_ls_number_parameters     541
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0324
_refine_ls_wR_factor_ref         0.0783
_refine_ls_wR_factor_gt          0.0763
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.11829(2) 0.20197(2) 0.30458(2) 0.01754(5) Uani 1 1 d . . . . .
O1W O 0.30279(18) 0.19285(9) 0.38836(12) 0.0238(4) Uani 1 1 d . . . . .
H1WA H 0.2908 0.1752 0.4329 0.029 Uiso 1 1 d R U . . .
H1WB H 0.3328 0.2282 0.3978 0.029 Uiso 1 1 d R U . . .
O1 O 0.24611(19) 0.17006(10) 0.19580(13) 0.0299(5) Uani 1 1 d . . . . .
O2W O 0.03817(18) 0.25712(10) 0.19171(12) 0.0259(4) Uani 1 1 d . . . . .
H2WA H 0.0903 0.2805 0.1719 0.031 Uiso 1 1 d R U . . .
H2WB H -0.0257 0.2767 0.2016 0.031 Uiso 1 1 d R U . . .
O2 O 0.28438(18) 0.25948(10) 0.24665(12) 0.0268(4) Uani 1 1 d . . . . .
O3W O -0.09978(18) 0.21728(9) 0.30929(12) 0.0244(4) Uani 1 1 d . . . . .
H3WA H -0.1209 0.2331 0.3532 0.029 Uiso 1 1 d R U . . .
H3WB H -0.1375 0.1836 0.3020 0.029 Uiso 1 1 d R U . . .
O3 O 0.3887(2) 0.22666(13) 0.14835(15) 0.0462(6) Uani 1 1 d . . . . .
O4W O 0.05817(19) 0.17034(11) 0.43031(13) 0.0330(5) Uani 1 1 d . . . . .
H4WA H 0.1189 0.1630 0.4631 0.040 Uiso 1 1 d R U . . .
H4WB H 0.0086 0.1405 0.4303 0.040 Uiso 1 1 d R U . . .
N1 N 0.1352(2) 0.30477(10) 0.37545(14) 0.0206(5) Uani 1 1 d . . . . .
N2 N 0.2070(3) 0.70027(12) 0.57429(17) 0.0329(6) Uani 1 1 d . . . . .
C1 C 0.1089(3) 0.35744(14) 0.33618(17) 0.0253(6) Uani 1 1 d . . . . .
H1 H 0.0969 0.3565 0.2789 0.030 Uiso 1 1 calc R U . . .
C2 C 0.0986(3) 0.41279(14) 0.37525(17) 0.0279(6) Uani 1 1 d . . . . .
H2 H 0.0782 0.4487 0.3449 0.033 Uiso 1 1 calc R U . . .
C3 C 0.1179(3) 0.41625(13) 0.45926(17) 0.0248(6) Uani 1 1 d . . . . .
C4 C 0.1593(3) 0.36289(13) 0.49854(17) 0.0264(6) Uani 1 1 d . . . . .
H4 H 0.1839 0.3638 0.5546 0.032 Uiso 1 1 calc R U . . .
C5 C 0.1641(3) 0.30883(13) 0.45553(18) 0.0250(6) Uani 1 1 d . . . . .
H5 H 0.1891 0.2727 0.4839 0.030 Uiso 1 1 calc R U . . .
C6 C 0.0800(3) 0.46931(13) 0.50935(17) 0.0253(6) Uani 1 1 d . . . . .
H6 H 0.1338 0.4727 0.5601 0.030 Uiso 1 1 calc R U . . .
C7 C 0.0604(3) 0.53297(13) 0.46979(17) 0.0257(6) Uani 1 1 d . . . . .
H7 H 0.0675 0.5303 0.4100 0.031 Uiso 1 1 calc R U . . .
C8 C 0.1290(3) 0.58793(13) 0.50420(18) 0.0260(6) Uani 1 1 d . . . . .
C9 C 0.1220(3) 0.64292(15) 0.46078(19) 0.0326(7) Uani 1 1 d . . . . .
H9 H 0.0922 0.6430 0.4056 0.039 Uiso 1 1 calc R U . . .
C10 C 0.1583(3) 0.69689(14) 0.4980(2) 0.0338(7) Uani 1 1 d . . . . .
H10 H 0.1482 0.7338 0.4680 0.041 Uiso 1 1 calc R U . . .
C11 C 0.2240(3) 0.64703(15) 0.61296(19) 0.0313(7) Uani 1 1 d . . . . .
H11 H 0.2637 0.6478 0.6656 0.038 Uiso 1 1 calc R U . . .
C12 C 0.1874(3) 0.59042(14) 0.58113(18) 0.0302(7) Uani 1 1 d . . . . .
H12 H 0.2020 0.5540 0.6116 0.036 Uiso 1 1 calc R U . . .
N3 N 0.2919(3) 0.63882(14) 0.25633(19) 0.0415(7) Uani 0.5 1 d . . P A 1
N4 N 0.8223(2) 0.31888(14) 0.16974(19) 0.0406(7) Uani 0.5 1 d . . P A 1
N5 N 0.8590(3) 0.39720(16) -0.04828(19) 0.0465(8) Uani 0.5 1 d . . P A 1
C13 C 0.7054(3) 0.30250(14) 0.1675(2) 0.0312(7) Uani 0.5 1 d . . P A 1
H13A H 0.6870 0.2600 0.1671 0.037 Uiso 0.5 1 calc R U P A 1
C14 C 0.6109(3) 0.34287(15) 0.16563(19) 0.0305(7) Uani 0.5 1 d . . P A 1
H14A H 0.5296 0.3284 0.1631 0.037 Uiso 0.5 1 calc R U P A 1
C15 C 0.6349(3) 0.40546(16) 0.1676(2) 0.0345(7) Uani 0.5 1 d . . P A 1
C16 C 0.7556(3) 0.42363(15) 0.17226(19) 0.0312(7) Uani 0.5 1 d . . P A 1
H16A H 0.7764 0.4658 0.1751 0.037 Uiso 0.5 1 calc R U P A 1
C17 C 0.8452(3) 0.37914(17) 0.1728(2) 0.0410(9) Uani 0.5 1 d . . P A 1
H17A H 0.9275 0.3921 0.1754 0.049 Uiso 0.5 1 calc R U P A 1
C18 C 0.5310(5) 0.4522(3) 0.1281(4) 0.0255(9) Uani 0.5 1 d . . P A 1
H18A H 0.4495 0.4386 0.1443 0.031 Uiso 0.5 1 calc R U P A 1
C19 C 0.5431(5) 0.5219(3) 0.1417(4) 0.0268(9) Uani 0.5 1 d . . P A 1
H19A H 0.5956 0.5457 0.1111 0.032 Uiso 0.5 1 calc R U P A 1
C20 C 0.4636(3) 0.55320(16) 0.2094(2) 0.0405(9) Uani 0.5 1 d . . P A 1
C21 C 0.3499(3) 0.53457(15) 0.2310(2) 0.0357(8) Uani 0.5 1 d . . P A 1
H21A H 0.3282 0.4924 0.2299 0.043 Uiso 0.5 1 calc R U P A 1
C22 C 0.2691(3) 0.57832(16) 0.2540(2) 0.0383(8) Uani 0.5 1 d . . P A 1
H22A H 0.1920 0.5648 0.2692 0.046 Uiso 0.5 1 calc R U P A 1
C23 C 0.4031(3) 0.65534(15) 0.2381(2) 0.0335(7) Uani 0.5 1 d . . P A 1
H23A H 0.4229 0.6977 0.2406 0.040 Uiso 0.5 1 calc R U P A 1
C24 C 0.4910(3) 0.61515(16) 0.2159(2) 0.0335(7) Uani 0.5 1 d . . P A 1
H24A H 0.5694 0.6296 0.2051 0.040 Uiso 0.5 1 calc R U P A 1
C25 C 0.5246(5) 0.4627(3) 0.0325(4) 0.0259(9) Uani 0.5 1 d . . P A 1
H25A H 0.4533 0.4799 0.0064 0.031 Uiso 0.5 1 calc R U P A 1
C26 C 0.6343(3) 0.44518(19) -0.0200(3) 0.0567(12) Uani 0.5 1 d . . P A 1
C27 C 0.7331(3) 0.48323(17) -0.0249(3) 0.0450(9) Uani 0.5 1 d . . P A 1
H27A H 0.7253 0.5263 -0.0183 0.054 Uiso 0.5 1 calc R U P A 1
C28 C 0.8441(3) 0.45740(18) -0.0397(2) 0.0378(8) Uani 0.5 1 d . . P A 1
H28A H 0.9121 0.4836 -0.0439 0.045 Uiso 0.5 1 calc R U P A 1
C29 C 0.7622(4) 0.36212(18) -0.0428(2) 0.0448(9) Uani 0.5 1 d . . P A 1
H29A H 0.7720 0.3191 -0.0487 0.054 Uiso 0.5 1 calc R U P A 1
C30 C 0.6493(3) 0.38367(16) -0.02939(19) 0.0342(7) Uani 0.5 1 d . . P A 1
H30A H 0.5827 0.3564 -0.0267 0.041 Uiso 0.5 1 calc R U P A 1
N3' N 0.2919(3) 0.63882(14) 0.25633(19) 0.0415(7) Uani 0.5 1 d . . P B 2
N4' N 0.8223(2) 0.31888(14) 0.16974(19) 0.0406(7) Uani 0.5 1 d . . P B 2
N5' N 0.8590(3) 0.39720(16) -0.04828(19) 0.0465(8) Uani 0.5 1 d . . P C 2
C13' C 0.7054(3) 0.30250(14) 0.1675(2) 0.0312(7) Uani 0.5 1 d . . P B 2
H13B H 0.6870 0.2600 0.1671 0.037 Uiso 0.5 1 calc R U P B 2
C14' C 0.6109(3) 0.34287(15) 0.16563(19) 0.0305(7) Uani 0.5 1 d . . P B 2
H14B H 0.5296 0.3284 0.1631 0.037 Uiso 0.5 1 calc R U P B 2
C15' C 0.6349(3) 0.40546(16) 0.1676(2) 0.0345(7) Uani 0.5 1 d . . P B 2
C16' C 0.7556(3) 0.42363(15) 0.17226(19) 0.0312(7) Uani 0.5 1 d . . P B 2
H16B H 0.7764 0.4658 0.1751 0.037 Uiso 0.5 1 calc R U P B 2
C17' C 0.8452(3) 0.37914(17) 0.1728(2) 0.0410(9) Uani 0.5 1 d . . P B 2
H17B H 0.9275 0.3921 0.1754 0.049 Uiso 0.5 1 calc R U P B 2
C18' C 0.5412(5) 0.4464(3) 0.1879(4) 0.0255(9) Uani 0.5 1 d . . P B 2
H18B H 0.4614 0.4305 0.1896 0.031 Uiso 0.5 1 calc R U P B 2
C19' C 0.5581(5) 0.5061(3) 0.2050(4) 0.0268(9) Uani 0.5 1 d . . P B 2
H19B H 0.6397 0.5193 0.2152 0.032 Uiso 0.5 1 calc R U P B 2
C20' C 0.4636(3) 0.55320(16) 0.2094(2) 0.0405(9) Uani 0.5 1 d . . P B 2
C21' C 0.3499(3) 0.53457(15) 0.2310(2) 0.0357(8) Uani 0.5 1 d . . P B 2
H21B H 0.3282 0.4924 0.2299 0.043 Uiso 0.5 1 calc R U P B 2
C22' C 0.2691(3) 0.57832(16) 0.2540(2) 0.0383(8) Uani 0.5 1 d . . P B 2
H22B H 0.1920 0.5648 0.2692 0.046 Uiso 0.5 1 calc R U P B 2
C23' C 0.4031(3) 0.65534(15) 0.2381(2) 0.0335(7) Uani 0.5 1 d . . P B 2
H23B H 0.4229 0.6977 0.2406 0.040 Uiso 0.5 1 calc R U P B 2
C24' C 0.4910(3) 0.61515(16) 0.2159(2) 0.0335(7) Uani 0.5 1 d . . P B 2
H24B H 0.5694 0.6296 0.2051 0.040 Uiso 0.5 1 calc R U P B 2
C25' C 0.4974(5) 0.4679(3) -0.0473(3) 0.0259(9) Uani 0.5 1 d . . P C 2
H25B H 0.4415 0.4350 -0.0396 0.039 Uiso 0.5 1 d R U P C 2
C26' C 0.6343(3) 0.44518(19) -0.0200(3) 0.0567(12) Uani 0.5 1 d . . P C 2
C27' C 0.7331(3) 0.48323(17) -0.0249(3) 0.0450(9) Uani 0.5 1 d . . P C 2
H27B H 0.7253 0.5263 -0.0183 0.054 Uiso 0.5 1 calc R U P C 2
C28' C 0.8441(3) 0.45740(18) -0.0397(2) 0.0378(8) Uani 0.5 1 d . . P C 2
H28B H 0.9121 0.4836 -0.0439 0.045 Uiso 0.5 1 calc R U P C 2
C29' C 0.7622(4) 0.36212(18) -0.0428(2) 0.0448(9) Uani 0.5 1 d . . P C 2
H29B H 0.7720 0.3191 -0.0487 0.054 Uiso 0.5 1 calc R U P C 2
C30' C 0.6493(3) 0.38367(16) -0.02939(19) 0.0342(7) Uani 0.5 1 d . . P C 2
H30B H 0.5827 0.3564 -0.0267 0.041 Uiso 0.5 1 calc R U P C 2
N6 N 0.4498(3) 0.29599(12) 0.40966(17) 0.0329(6) Uani 1 1 d . . . . .
C31 C 0.5170(3) 0.47288(16) 0.5155(2) 0.0391(8) Uani 1 1 d . . . . .
H31 H 0.5585 0.4733 0.5676 0.047 Uiso 1 1 calc R U . . .
C32 C 0.4968(3) 0.41289(15) 0.47773(19) 0.0325(7) Uani 1 1 d . . . . .
C33 C 0.5186(3) 0.35982(16) 0.52184(19) 0.0352(7) Uani 1 1 d . . . . .
H33 H 0.5502 0.3622 0.5765 0.042 Uiso 1 1 calc R U . . .
C34 C 0.4944(3) 0.30300(15) 0.4864(2) 0.0337(7) Uani 1 1 d . . . . .
H34 H 0.5102 0.2673 0.5182 0.040 Uiso 1 1 calc R U . . .
C35 C 0.4325(3) 0.34754(16) 0.36609(19) 0.0346(7) Uani 1 1 d . . . . .
H35 H 0.4040 0.3437 0.3109 0.042 Uiso 1 1 calc R U . . .
C36 C 0.4534(3) 0.40543(15) 0.39621(19) 0.0328(7) Uani 1 1 d . . . . .
H36 H 0.4388 0.4402 0.3625 0.039 Uiso 1 1 calc R U . . .
N7 N 0.3092(2) 0.21915(13) 0.19511(15) 0.0268(5) Uani 1 1 d . . . . .
N8 N 0.0786(3) 0.07484(12) 0.25784(17) 0.0336(6) Uani 1 1 d . . . . .
N9 N 0.2489(2) 0.35471(12) 0.09519(15) 0.0292(6) Uani 1 1 d . . . . .
O4 O 0.1608(2) 0.08808(10) 0.31164(14) 0.0367(6) Uani 1 1 d . . . . .
O5 O 0.01299(18) 0.11895(9) 0.23042(13) 0.0287(5) Uani 1 1 d . . . . .
O6 O 0.0612(3) 0.02256(11) 0.23332(18) 0.0600(9) Uani 1 1 d . . . . .
O7 O 0.2535(2) 0.38446(12) 0.15868(14) 0.0449(6) Uani 1 1 d . . . . .
O8 O 0.3269(2) 0.36115(11) 0.04428(13) 0.0355(5) Uani 1 1 d . . . . .
O9 O 0.1629(2) 0.31694(12) 0.07981(13) 0.0365(5) 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 O4W 2.330(2) . ?
Dy1 O2W 2.3468(19) . ?
Dy1 O1W 2.3967(19) . ?
Dy1 O3W 2.437(2) . ?
Dy1 O5 2.441(2) . ?
Dy1 O1 2.460(2) . ?
Dy1 O2 2.467(2) . ?
Dy1 O4 2.531(2) . ?
Dy1 N1 2.533(2) . ?
Dy1 N7 2.892(3) . ?
Dy1 N8 2.906(3) . ?
O1W H1WA 0.8501 . ?
O1W H1WB 0.8499 . ?
O1 N7 1.279(3) . ?
O2W H2WA 0.8501 . ?
O2W H2WB 0.8501 . ?
O2 N7 1.268(3) . ?
O3W H3WA 0.8501 . ?
O3W H3WB 0.8499 . ?
O3 N7 1.219(3) . ?
O4W H4WA 0.8499 . ?
O4W H4WB 0.8501 . ?
N1 C1 1.343(4) . ?
N1 C5 1.346(4) . ?
N2 C11 1.334(4) . ?
N2 C10 1.343(4) . ?
C1 C2 1.378(4) . ?
C1 H1 0.9500 . ?
C2 C3 1.396(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.396(4) . ?
C3 C6 1.500(4) . ?
C4 C5 1.381(4) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.545(4) . ?
C6 C7 1.610(4) 3_566 ?
C6 H6 1.0000 . ?
C7 C8 1.511(4) . ?
C7 C6 1.610(4) 3_566 ?
C7 H7 1.0000 . ?
C8 C12 1.390(4) . ?
C8 C9 1.399(4) . ?
C9 C10 1.377(4) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.393(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
N3 C23 1.332(4) . ?
N3 C22 1.344(5) . ?
N4 C13 1.337(4) . ?
N4 C17 1.340(5) . ?
N5 C29 1.322(5) . ?
N5 C28 1.333(5) . ?
C13 C14 1.364(4) . ?
C13 H13A 0.9500 . ?
C14 C15 1.391(5) . ?
C14 H14A 0.9500 . ?
C15 C16 1.387(4) . ?
C15 C18 1.639(7) . ?
C16 C17 1.386(5) . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C18 C19 1.541(8) . ?
C18 C25 1.597(8) . ?
C18 H18A 1.0000 . ?
C19 C20 1.620(7) . ?
C19 H19A 0.9500 . ?
C20 C24 1.388(5) . ?
C20 C21 1.388(5) . ?
C21 C22 1.377(5) . ?
C21 H21A 0.9500 . ?
C22 H22A 0.9500 . ?
C23 C24 1.376(4) . ?
C23 H23A 0.9500 . ?
C24 H24A 0.9500 . ?
C25 C26 1.582(7) . ?
C25 C25 2.005(12) 3_665 ?
C25 H25A 0.9500 . ?
C26 C30 1.363(5) . ?
C26 C27 1.378(5) . ?
C27 C28 1.385(5) . ?
C27 H27A 0.9500 . ?
C28 H28A 0.9500 . ?
C29 C30 1.364(5) . ?
C29 H29A 0.9500 . ?
C30 H30A 0.9500 . ?
C18' C19' 1.343(8) . ?
C18' H18B 0.9500 . ?
C19' H19B 0.9500 . ?
C25' H25B 0.9600 . ?
N6 C34 1.342(4) . ?
N6 C35 1.343(4) . ?
C31 C31 1.335(7) 3_666 ?
C31 C32 1.462(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.382(5) . ?
C32 C36 1.412(4) . ?
C33 C34 1.390(5) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C36 1.372(5) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
N8 O6 1.222(3) . ?
N8 O4 1.263(3) . ?
N8 O5 1.271(3) . ?
N9 O7 1.234(3) . ?
N9 O8 1.252(3) . ?
N9 O9 1.270(3) . ?

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
O4W Dy1 O2W 138.48(7) . . ?
O4W Dy1 O1W 74.88(7) . . ?
O2W Dy1 O1W 139.95(7) . . ?
O4W Dy1 O3W 70.89(7) . . ?
O2W Dy1 O3W 68.48(7) . . ?
O1W Dy1 O3W 142.85(7) . . ?
O4W Dy1 O5 94.32(8) . . ?
O2W Dy1 O5 80.66(7) . . ?
O1W Dy1 O5 126.05(7) . . ?
O3W Dy1 O5 71.26(7) . . ?
O4W Dy1 O1 141.30(8) . . ?
O2W Dy1 O1 76.51(7) . . ?
O1W Dy1 O1 83.91(7) . . ?
O3W Dy1 O1 132.63(7) . . ?
O5 Dy1 O1 72.46(7) . . ?
O4W Dy1 O2 139.48(7) . . ?
O2W Dy1 O2 71.37(7) . . ?
O1W Dy1 O2 69.03(7) . . ?
O3W Dy1 O2 134.71(7) . . ?
O5 Dy1 O2 121.59(7) . . ?
O1 Dy1 O2 51.91(7) . . ?
O4W Dy1 O4 74.37(8) . . ?
O2W Dy1 O4 126.84(7) . . ?
O1W Dy1 O4 75.14(7) . . ?
O3W Dy1 O4 108.29(7) . . ?
O5 Dy1 O4 51.31(7) . . ?
O1 Dy1 O4 69.03(8) . . ?
O2 Dy1 O4 112.17(8) . . ?
O4W Dy1 N1 82.26(8) . . ?
O2W Dy1 N1 85.82(7) . . ?
O1W Dy1 N1 76.79(7) . . ?
O3W Dy1 N1 84.65(7) . . ?
O5 Dy1 N1 155.35(7) . . ?
O1 Dy1 N1 124.16(7) . . ?
O2 Dy1 N1 72.26(7) . . ?
O4 Dy1 N1 147.21(7) . . ?
O4W Dy1 N7 149.29(7) . . ?
O2W Dy1 N7 71.75(7) . . ?
O1W Dy1 N7 75.34(7) . . ?
O3W Dy1 N7 139.82(7) . . ?
O5 Dy1 N7 97.11(7) . . ?
O1 Dy1 N7 26.07(7) . . ?
O2 Dy1 N7 25.84(7) . . ?
O4 Dy1 N7 90.90(8) . . ?
N1 Dy1 N7 98.09(8) . . ?
O4W Dy1 N8 84.74(8) . . ?
O2W Dy1 N8 103.61(7) . . ?
O1W Dy1 N8 100.51(7) . . ?
O3W Dy1 N8 90.43(7) . . ?
O5 Dy1 N8 25.66(7) . . ?
O1 Dy1 N8 67.56(8) . . ?
O2 Dy1 N8 119.02(8) . . ?
O4 Dy1 N8 25.69(7) . . ?
N1 Dy1 N8 166.98(8) . . ?
N7 Dy1 N8 93.45(8) . . ?
Dy1 O1W H1WA 111.4 . . ?
Dy1 O1W H1WB 109.7 . . ?
H1WA O1W H1WB 109.3 . . ?
N7 O1 Dy1 96.20(16) . . ?
Dy1 O2W H2WA 112.6 . . ?
Dy1 O2W H2WB 112.3 . . ?
H2WA O2W H2WB 111.3 . . ?
N7 O2 Dy1 96.16(16) . . ?
Dy1 O3W H3WA 114.2 . . ?
Dy1 O3W H3WB 110.6 . . ?
H3WA O3W H3WB 108.3 . . ?
Dy1 O4W H4WA 111.6 . . ?
Dy1 O4W H4WB 116.6 . . ?
H4WA O4W H4WB 109.7 . . ?
C1 N1 C5 116.8(2) . . ?
C1 N1 Dy1 121.80(18) . . ?
C5 N1 Dy1 121.33(18) . . ?
C11 N2 C10 116.0(3) . . ?
N1 C1 C2 123.0(3) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C1 C2 C3 120.2(3) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
C2 C3 C4 116.3(3) . . ?
C2 C3 C6 124.3(3) . . ?
C4 C3 C6 118.8(3) . . ?
C5 C4 C3 119.7(3) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
N1 C5 C4 123.3(3) . . ?
N1 C5 H5 118.3 . . ?
C4 C5 H5 118.3 . . ?
C3 C6 C7 119.8(2) . . ?
C3 C6 C7 113.7(2) . 3_566 ?
C7 C6 C7 90.5(2) . 3_566 ?
C3 C6 H6 110.5 . . ?
C7 C6 H6 110.5 . . ?
C7 C6 H6 110.5 3_566 . ?
C8 C7 C6 120.1(2) . . ?
C8 C7 C6 114.2(2) . 3_566 ?
C6 C7 C6 89.5(2) . 3_566 ?
C8 C7 H7 110.5 . . ?
C6 C7 H7 110.5 . . ?
C6 C7 H7 110.5 3_566 . ?
C12 C8 C9 116.4(3) . . ?
C12 C8 C7 124.6(3) . . ?
C9 C8 C7 118.5(3) . . ?
C10 C9 C8 120.0(3) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
N2 C10 C9 123.7(3) . . ?
N2 C10 H10 118.1 . . ?
C9 C10 H10 118.1 . . ?
N2 C11 C12 124.2(3) . . ?
N2 C11 H11 117.9 . . ?
C12 C11 H11 117.9 . . ?
C8 C12 C11 119.2(3) . . ?
C8 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
C23 N3 C22 115.7(3) . . ?
C13 N4 C17 116.3(3) . . ?
C29 N5 C28 117.3(3) . . ?
N4 C13 C14 124.3(3) . . ?
N4 C13 H13A 117.9 . . ?
C14 C13 H13A 117.9 . . ?
C13 C14 C15 119.3(3) . . ?
C13 C14 H14A 120.3 . . ?
C15 C14 H14A 120.3 . . ?
C16 C15 C14 117.5(3) . . ?
C16 C15 C18 119.3(3) . . ?
C14 C15 C18 118.4(3) . . ?
C17 C16 C15 118.9(3) . . ?
C17 C16 H16A 120.6 . . ?
C15 C16 H16A 120.6 . . ?
N4 C17 C16 123.7(3) . . ?
N4 C17 H17A 118.2 . . ?
C16 C17 H17A 118.2 . . ?
C19 C18 C25 90.0(4) . . ?
C19 C18 C15 120.3(4) . . ?
C25 C18 C15 118.0(4) . . ?
C19 C18 H18A 109.0 . . ?
C25 C18 H18A 109.0 . . ?
C15 C18 H18A 109.0 . . ?
C18 C19 C20 118.1(5) . . ?
C18 C19 H19A 120.9 . . ?
C20 C19 H19A 120.9 . . ?
C24 C20 C21 117.5(3) . . ?
C24 C20 C19 109.8(4) . . ?
C21 C20 C19 126.4(3) . . ?
C22 C21 C20 118.7(3) . . ?
C22 C21 H21A 120.6 . . ?
C20 C21 H21A 120.6 . . ?
N3 C22 C21 124.5(3) . . ?
N3 C22 H22A 117.8 . . ?
C21 C22 H22A 117.8 . . ?
N3 C23 C24 124.3(3) . . ?
N3 C23 H23A 117.8 . . ?
C24 C23 H23A 117.8 . . ?
C23 C24 C20 119.2(3) . . ?
C23 C24 H24A 120.4 . . ?
C20 C24 H24A 120.4 . . ?
C26 C25 C18 121.6(5) . . ?
C26 C25 C25 95.3(5) . 3_665 ?
C18 C25 C25 129.9(6) . 3_665 ?
C26 C25 H25A 119.2 . . ?
C18 C25 H25A 119.2 . . ?
C25 C25 H25A 41.3 3_665 . ?
C30 C26 C27 118.9(3) . . ?
C30 C26 C25 113.9(4) . . ?
C27 C26 C25 121.6(4) . . ?
C26 C27 C28 118.6(3) . . ?
C26 C27 H27A 120.7 . . ?
C28 C27 H27A 120.7 . . ?
N5 C28 C27 122.5(3) . . ?
N5 C28 H28A 118.8 . . ?
C27 C28 H28A 118.8 . . ?
N5 C29 C30 124.2(3) . . ?
N5 C29 H29A 117.9 . . ?
C30 C29 H29A 117.9 . . ?
C26 C30 C29 118.6(3) . . ?
C26 C30 H30A 120.7 . . ?
C29 C30 H30A 120.7 . . ?
C19' C18' H18B 117.8 . . ?
C18' C19' H19B 116.6 . . ?
C34 N6 C35 116.3(3) . . ?
C31 C31 C32 126.7(4) 3_666 . ?
C31 C31 H31 116.6 3_666 . ?
C32 C31 H31 116.6 . . ?
C33 C32 C36 116.4(3) . . ?
C33 C32 C31 120.5(3) . . ?
C36 C32 C31 123.0(3) . . ?
C32 C33 C34 120.2(3) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
N6 C34 C33 123.4(3) . . ?
N6 C34 H34 118.3 . . ?
C33 C34 H34 118.3 . . ?
N6 C35 C36 124.1(3) . . ?
N6 C35 H35 117.9 . . ?
C36 C35 H35 117.9 . . ?
C35 C36 C32 119.5(3) . . ?
C35 C36 H36 120.3 . . ?
C32 C36 H36 120.3 . . ?
O3 N7 O2 122.0(3) . . ?
O3 N7 O1 122.3(3) . . ?
O2 N7 O1 115.7(2) . . ?
O3 N7 Dy1 179.3(2) . . ?
O2 N7 Dy1 58.00(14) . . ?
O1 N7 Dy1 57.73(13) . . ?
O6 N8 O4 122.6(3) . . ?
O6 N8 O5 121.0(2) . . ?
O4 N8 O5 116.4(2) . . ?
O6 N8 Dy1 176.0(2) . . ?
O4 N8 Dy1 60.32(14) . . ?
O5 N8 Dy1 56.24(13) . . ?
O7 N9 O8 121.5(3) . . ?
O7 N9 O9 120.1(3) . . ?
O8 N9 O9 118.4(3) . . ?
N8 O4 Dy1 94.00(16) . . ?
N8 O5 Dy1 98.11(15) . . ?

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
C5 N1 C1 C2 -6.8(4) . . . . ?
Dy1 N1 C1 C2 169.4(2) . . . . ?
N1 C1 C2 C3 1.3(5) . . . . ?
C1 C2 C3 C4 6.2(4) . . . . ?
C1 C2 C3 C6 -164.3(3) . . . . ?
C2 C3 C4 C5 -8.0(4) . . . . ?
C6 C3 C4 C5 163.0(3) . . . . ?
C1 N1 C5 C4 4.8(4) . . . . ?
Dy1 N1 C5 C4 -171.4(2) . . . . ?
C3 C4 C5 N1 2.7(5) . . . . ?
C2 C3 C6 C7 -22.8(4) . . . . ?
C4 C3 C6 C7 166.9(3) . . . . ?
C2 C3 C6 C7 82.3(4) . . . 3_566 ?
C4 C3 C6 C7 -87.9(3) . . . 3_566 ?
C3 C6 C7 C8 -124.1(3) . . . . ?
C7 C6 C7 C8 118.0(3) 3_566 . . . ?
C3 C6 C7 C6 117.9(3) . . . 3_566 ?
C7 C6 C7 C6 0.000(0) 3_566 . . 3_566 ?
C6 C7 C8 C12 -17.0(5) . . . . ?
C6 C7 C8 C12 87.5(4) 3_566 . . . ?
C6 C7 C8 C9 171.3(3) . . . . ?
C6 C7 C8 C9 -84.2(3) 3_566 . . . ?
C12 C8 C9 C10 -7.7(5) . . . . ?
C7 C8 C9 C10 164.6(3) . . . . ?
C11 N2 C10 C9 2.6(5) . . . . ?
C8 C9 C10 N2 3.5(6) . . . . ?
C10 N2 C11 C12 -4.4(5) . . . . ?
C9 C8 C12 C11 6.1(5) . . . . ?
C7 C8 C12 C11 -165.7(3) . . . . ?
N2 C11 C12 C8 0.0(5) . . . . ?
C17 N4 C13 C14 2.1(5) . . . . ?
N4 C13 C14 C15 -1.2(5) . . . . ?
C13 C14 C15 C16 -0.7(5) . . . . ?
C13 C14 C15 C18 154.5(4) . . . . ?
C14 C15 C16 C17 1.6(5) . . . . ?
C18 C15 C16 C17 -153.5(4) . . . . ?
C13 N4 C17 C16 -1.1(6) . . . . ?
C15 C16 C17 N4 -0.7(6) . . . . ?
C16 C15 C18 C19 -35.9(6) . . . . ?
C14 C15 C18 C19 169.3(4) . . . . ?
C16 C15 C18 C25 72.3(6) . . . . ?
C14 C15 C18 C25 -82.6(5) . . . . ?
C25 C18 C19 C20 136.1(4) . . . . ?
C15 C18 C19 C20 -101.0(5) . . . . ?
C18 C19 C20 C24 177.0(4) . . . . ?
C18 C19 C20 C21 -31.8(7) . . . . ?
C24 C20 C21 C22 2.8(5) . . . . ?
C19 C20 C21 C22 -146.5(4) . . . . ?
C23 N3 C22 C21 -3.0(5) . . . . ?
C20 C21 C22 N3 0.8(6) . . . . ?
C22 N3 C23 C24 1.7(5) . . . . ?
N3 C23 C24 C20 1.8(5) . . . . ?
C21 C20 C24 C23 -4.0(5) . . . . ?
C19 C20 C24 C23 150.1(3) . . . . ?
C19 C18 C25 C26 107.5(5) . . . . ?
C15 C18 C25 C26 -17.3(7) . . . . ?
C19 C18 C25 C25 -23.4(8) . . . 3_665 ?
C15 C18 C25 C25 -148.2(6) . . . 3_665 ?
C18 C25 C26 C30 72.2(6) . . . . ?
C25 C25 C26 C30 -143.4(4) 3_665 . . . ?
C18 C25 C26 C27 -81.1(6) . . . . ?
C25 C25 C26 C27 63.3(6) 3_665 . . . ?
C30 C26 C27 C28 0.3(7) . . . . ?
C25 C26 C27 C28 152.3(4) . . . . ?
C29 N5 C28 C27 0.6(5) . . . . ?
C26 C27 C28 N5 -0.9(6) . . . . ?
C28 N5 C29 C30 0.2(5) . . . . ?
C27 C26 C30 C29 0.4(6) . . . . ?
C25 C26 C30 C29 -153.6(4) . . . . ?
N5 C29 C30 C26 -0.8(6) . . . . ?
C31 C31 C32 C33 -169.2(5) 3_666 . . . ?
C31 C31 C32 C36 9.9(7) 3_666 . . . ?
C36 C32 C33 C34 -1.9(5) . . . . ?
C31 C32 C33 C34 177.3(3) . . . . ?
C35 N6 C34 C33 2.1(5) . . . . ?
C32 C33 C34 N6 0.0(6) . . . . ?
C34 N6 C35 C36 -2.4(5) . . . . ?
N6 C35 C36 C32 0.5(5) . . . . ?
C33 C32 C36 C35 1.6(5) . . . . ?
C31 C32 C36 C35 -177.5(3) . . . . ?
Dy1 O2 N7 O3 179.1(2) . . . . ?
Dy1 O2 N7 O1 -1.3(2) . . . . ?
Dy1 O1 N7 O3 -179.1(2) . . . . ?
Dy1 O1 N7 O2 1.3(2) . . . . ?
O6 N8 O4 Dy1 176.8(3) . . . . ?
O5 N8 O4 Dy1 -3.8(3) . . . . ?
O6 N8 O5 Dy1 -176.7(3) . . . . ?
O4 N8 O5 Dy1 4.0(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1WA O8 0.85 2.02 2.834(3) 159.4 4_566
O1W H1WB N6 0.85 1.97 2.784(3) 161.3 .
O2W H2WA O9 0.85 1.94 2.714(3) 150.9 .
O2W H2WB N4 0.85 1.96 2.741(3) 153.3 1_455
O2W H2WB N4' 0.85 1.96 2.741(3) 153.3 1_455
O3W H3WA N2 0.85 2.15 2.942(3) 155.3 3_566
O3W H3WB N3 0.85 2.14 2.883(4) 145.8 2_545
O3W H3WB N3' 0.85 2.14 2.883(4) 145.8 2_545
O4W H4WA O9 0.85 2.01 2.677(3) 134.8 4_566
O4W H4WB N5 0.85 1.90 2.690(4) 154.1 4_466
O4W H4WB N5' 0.85 1.90 2.690(4) 154.1 4_466

_refine_diff_density_max         1.459
_refine_diff_density_min         -0.781
_refine_diff_density_rms         0.101

_shelxl_version_number           2013-2



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1'
_database_code_depnum_ccdc_archive 'CCDC 1401223'
_audit_update_record             
;
2015-05-15 deposited with the CCDC.
2015-09-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H38 Dy0.06 N9 O13 Y0.94'
_chemical_formula_weight         897.71

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Y Y -2.7962 3.5667 '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)/c

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

_cell_length_a                   11.0672(2)
_cell_length_b                   22.1008(5)
_cell_length_c                   16.3215(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.754(2)
_cell_angle_gamma                90.00
_cell_volume                     3991.79(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6794
_cell_measurement_theta_min      3.3220
_cell_measurement_theta_max      27.8690

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.51
_exptl_crystal_size_min          0.47
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1846
_exptl_absorpt_coefficient_mu    1.559
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4825
_exptl_absorpt_correction_T_max  0.5296
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_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  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            31204
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_sigmaI/netI    0.0534
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.90
_diffrn_reflns_theta_max         27.00
_reflns_number_total             8617
_reflns_number_gt                7447
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_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)+(0.0266P)²+3.7215P] 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         8617
_refine_ls_number_parameters     532
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0708
_refine_ls_R_factor_gt           0.0565
_refine_ls_wR_factor_ref         0.1012
_refine_ls_wR_factor_gt          0.0969
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_restrained_S_all      1.184
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.11427(2) 0.204687(12) 0.302324(16) 0.01589(8) Uani 0.06 1 d P . .
Y1 Y 0.11427(2) 0.204687(12) 0.302324(16) 0.01589(8) Uani 0.94 1 d P . .
O1W O 0.29499(17) 0.19839(9) 0.38212(13) 0.0237(5) Uani 1 1 d . . .
H1WA H 0.2828 0.1805 0.4274 0.028 Uiso 1 1 d R . .
H1WB H 0.3246 0.2332 0.3915 0.028 Uiso 1 1 d R . .
O1 O 0.25744(19) 0.17568(10) 0.19547(14) 0.0270(5) Uani 1 1 d . . .
O2W O 0.04219(18) 0.25538(10) 0.18608(13) 0.0261(5) Uani 1 1 d . . .
H2WA H 0.0948 0.2790 0.1661 0.031 Uiso 1 1 d R . .
H2WB H -0.0219 0.2751 0.1960 0.031 Uiso 1 1 d R . .
O2 O 0.27749(18) 0.26575(9) 0.24419(13) 0.0235(5) Uani 1 1 d . . .
O3W O -0.09814(17) 0.21651(8) 0.31057(13) 0.0202(4) Uani 1 1 d . . .
H3WA H -0.1197 0.2326 0.3553 0.024 Uiso 1 1 d R . .
H3WB H -0.1353 0.1832 0.3034 0.024 Uiso 1 1 d R . .
O3 O 0.4109(2) 0.23139(12) 0.15987(16) 0.0415(6) Uani 1 1 d . . .
O4W O 0.05439(19) 0.17635(10) 0.43233(14) 0.0289(5) Uani 1 1 d . . .
H4WA H 0.1138 0.1692 0.4644 0.035 Uiso 1 1 d R . .
H4WB H 0.0052 0.1468 0.4323 0.035 Uiso 1 1 d R . .
N1 N 0.1152(2) 0.30729(11) 0.37210(16) 0.0226(6) Uani 1 1 d . . .
N2 N 0.1918(2) 0.70552(12) 0.57152(16) 0.0273(6) Uani 1 1 d . . .
C1 C 0.1036(3) 0.35878(14) 0.3288(2) 0.0273(7) Uani 1 1 d . . .
H1 H 0.0857 0.3558 0.2719 0.033 Uiso 1 1 calc R . .
C2 C 0.1162(3) 0.41553(14) 0.3623(2) 0.0299(8) Uani 1 1 d . . .
H2 H 0.1053 0.4504 0.3290 0.036 Uiso 1 1 calc R . .
C3 C 0.1449(3) 0.42178(14) 0.4453(2) 0.0251(7) Uani 1 1 d . . .
C4 C 0.1577(3) 0.36871(14) 0.4901(2) 0.0302(8) Uani 1 1 d . . .
H4 H 0.1773 0.3704 0.5469 0.036 Uiso 1 1 calc R . .
C5 C 0.1417(3) 0.31361(14) 0.4520(2) 0.0282(7) Uani 1 1 d . . .
H5 H 0.1500 0.2780 0.4842 0.034 Uiso 1 1 calc R . .
C6 C 0.1649(3) 0.48023(15) 0.4860(2) 0.0307(8) Uani 1 1 d . . .
H6 H 0.1893 0.4792 0.5420 0.037 Uiso 1 1 calc R . .
C7 C 0.1522(3) 0.53417(15) 0.4521(2) 0.0302(8) Uani 1 1 d . . .
H7 H 0.1292 0.5354 0.3958 0.036 Uiso 1 1 calc R . .
C8 C 0.1705(3) 0.59240(13) 0.4940(2) 0.0236(7) Uani 1 1 d . . .
C9 C 0.1458(3) 0.64597(15) 0.4531(2) 0.0298(8) Uani 1 1 d . . .
H9 H 0.1218 0.6453 0.3970 0.036 Uiso 1 1 calc R . .
C10 C 0.1563(3) 0.70016(15) 0.4941(2) 0.0293(7) Uani 1 1 d . . .
H10 H 0.1367 0.7361 0.4649 0.035 Uiso 1 1 calc R . .
C11 C 0.2198(3) 0.65393(15) 0.6103(2) 0.0329(8) Uani 1 1 d . . .
H11 H 0.2478 0.6564 0.6655 0.039 Uiso 1 1 calc R . .
C12 C 0.2103(3) 0.59741(15) 0.5749(2) 0.0320(8) Uani 1 1 d . . .
H12 H 0.2308 0.5622 0.6056 0.038 Uiso 1 1 calc R . .
N3 N 0.2825(2) 0.63647(12) 0.23621(17) 0.0299(6) Uani 1 1 d . . .
N4 N 0.8283(2) 0.31584(12) 0.16302(17) 0.0266(6) Uani 1 1 d . . .
N5 N 0.8521(2) 0.38633(13) -0.04128(17) 0.0315(7) Uani 1 1 d . . .
C13 C 0.7121(3) 0.30059(15) 0.1680(2) 0.0284(7) Uani 1 1 d . . .
H13 H 0.6916 0.2590 0.1637 0.034 Uiso 1 1 calc R . .
C14 C 0.6202(3) 0.34160(14) 0.17886(19) 0.0247(7) Uani 1 1 d . . .
H14 H 0.5387 0.3282 0.1806 0.030 Uiso 1 1 calc R . .
C15 C 0.6473(3) 0.40283(13) 0.18736(18) 0.0203(6) Uani 1 1 d . . .
C16 C 0.7681(3) 0.41941(14) 0.1818(2) 0.0244(7) Uani 1 1 d . . .
H16 H 0.7915 0.4607 0.1864 0.029 Uiso 1 1 calc R . .
C17 C 0.8536(3) 0.37504(15) 0.1695(2) 0.0272(7) Uani 1 1 d . . .
H17 H 0.9357 0.3872 0.1655 0.033 Uiso 1 1 calc R . .
C18 C 0.5500(3) 0.44642(14) 0.20010(19) 0.0226(7) Uani 1 1 d . . .
H18 H 0.4695 0.4316 0.1964 0.027 Uiso 1 1 calc R . .
C19 C 0.5642(3) 0.50471(14) 0.2163(2) 0.0256(7) Uani 1 1 d . . .
H19 H 0.6446 0.5191 0.2230 0.031 Uiso 1 1 calc R . .
C20 C 0.4662(3) 0.54891(14) 0.2250(2) 0.0246(7) Uani 1 1 d . . .
C21 C 0.3449(3) 0.53261(15) 0.2319(2) 0.0286(7) Uani 1 1 d . . .
H21 H 0.3222 0.4912 0.2327 0.034 Uiso 1 1 calc R . .
C22 C 0.2585(3) 0.57713(15) 0.2376(2) 0.0301(8) Uani 1 1 d . . .
H22 H 0.1766 0.5650 0.2427 0.036 Uiso 1 1 calc R . .
C23 C 0.3984(3) 0.65192(16) 0.2294(2) 0.0339(8) Uani 1 1 d . . .
H23 H 0.4179 0.6938 0.2277 0.041 Uiso 1 1 calc R . .
C24 C 0.4921(3) 0.61042(15) 0.2248(2) 0.0312(8) Uani 1 1 d . . .
H24 H 0.5734 0.6240 0.2215 0.037 Uiso 1 1 calc R . .
C25 C 0.5571(3) 0.50692(15) -0.0030(2) 0.0289(7) Uani 1 1 d . . .
H25 H 0.5774 0.5486 0.0010 0.035 Uiso 1 1 calc R . .
C26 C 0.6572(3) 0.46451(14) -0.0153(2) 0.0258(7) Uani 1 1 d . . .
C27 C 0.7743(3) 0.48584(16) -0.0226(2) 0.0353(8) Uani 1 1 d . . .
H27 H 0.7903 0.5280 -0.0187 0.042 Uiso 1 1 calc R . .
C28 C 0.8671(3) 0.44593(17) -0.0357(2) 0.0366(9) Uani 1 1 d . . .
H28 H 0.9464 0.4617 -0.0411 0.044 Uiso 1 1 calc R . .
C29 C 0.7398(3) 0.36559(15) -0.0340(2) 0.0284(7) Uani 1 1 d . . .
H29 H 0.7269 0.3232 -0.0382 0.034 Uiso 1 1 calc R . .
C30 C 0.6415(3) 0.40229(15) -0.0209(2) 0.0276(7) Uani 1 1 d . . .
H30 H 0.5632 0.3852 -0.0157 0.033 Uiso 1 1 calc R . .
N6 N 0.4358(3) 0.30048(12) 0.40708(17) 0.0308(6) Uani 1 1 d . . .
C31 C 0.5090(3) 0.47287(14) 0.5162(2) 0.0302(8) Uani 1 1 d . . .
H31 H 0.5405 0.4719 0.5706 0.036 Uiso 1 1 calc R . .
C32 C 0.4855(3) 0.41448(15) 0.4775(2) 0.0259(7) Uani 1 1 d . . .
C33 C 0.5014(3) 0.36119(15) 0.5210(2) 0.0349(8) Uani 1 1 d . . .
H33 H 0.5294 0.3624 0.5763 0.042 Uiso 1 1 calc R . .
C34 C 0.4766(3) 0.30633(16) 0.4840(2) 0.0375(9) Uani 1 1 d . . .
H34 H 0.4893 0.2705 0.5152 0.045 Uiso 1 1 calc R . .
C35 C 0.4223(3) 0.35178(15) 0.3646(2) 0.0288(7) Uani 1 1 d . . .
H35 H 0.3950 0.3491 0.3093 0.035 Uiso 1 1 calc R . .
C36 C 0.4457(3) 0.40834(15) 0.3964(2) 0.0266(7) Uani 1 1 d . . .
H36 H 0.4348 0.4432 0.3631 0.032 Uiso 1 1 calc R . .
N7 N 0.3182(2) 0.22448(12) 0.19844(16) 0.0223(6) Uani 1 1 d . . .
N8 N 0.0836(2) 0.07954(12) 0.25433(19) 0.0333(7) Uani 1 1 d . . .
N9 N 0.2611(3) 0.35626(13) 0.08958(18) 0.0314(7) Uani 1 1 d . . .
O4 O 0.1596(2) 0.09262(10) 0.30923(15) 0.0354(6) Uani 1 1 d . . .
O5 O 0.02000(18) 0.12280(9) 0.22651(15) 0.0282(5) Uani 1 1 d . . .
O6 O 0.0690(3) 0.02814(11) 0.2292(2) 0.0715(11) Uani 1 1 d . . .
O7 O 0.2736(3) 0.38643(12) 0.15196(17) 0.0505(7) Uani 1 1 d . . .
O8 O 0.3391(2) 0.35523(12) 0.03586(17) 0.0443(7) Uani 1 1 d . . .
O9 O 0.1672(2) 0.32489(15) 0.07813(16) 0.0595(9) 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 O4W 2.318(2) . ?
Dy1 O2W 2.335(2) . ?
Dy1 O3W 2.3708(19) . ?
Dy1 O1W 2.376(2) . ?
Dy1 O5 2.421(2) . ?
Dy1 O2 2.456(2) . ?
Dy1 O1 2.457(2) . ?
Dy1 O4 2.529(2) . ?
Dy1 N1 2.537(2) . ?
Dy1 N7 2.875(3) . ?
Dy1 N8 2.893(3) . ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8499 . ?
O1 N7 1.272(3) . ?
O2W H2WA 0.8501 . ?
O2W H2WB 0.8500 . ?
O2 N7 1.266(3) . ?
O3W H3WA 0.8500 . ?
O3W H3WB 0.8500 . ?
O3 N7 1.220(3) . ?
O4W H4WA 0.8500 . ?
O4W H4WB 0.8499 . ?
N1 C5 1.340(4) . ?
N1 C1 1.345(4) . ?
N2 C10 1.324(4) . ?
N2 C11 1.339(4) . ?
C1 C2 1.375(4) . ?
C1 H1 0.9500 . ?
C2 C3 1.393(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.389(5) . ?
C3 C6 1.468(4) . ?
C4 C5 1.378(4) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.321(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.470(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.385(4) . ?
C8 C12 1.392(5) . ?
C9 C10 1.376(4) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.380(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
N3 C23 1.333(4) . ?
N3 C22 1.338(4) . ?
N4 C13 1.332(4) . ?
N4 C17 1.342(4) . ?
N5 C28 1.331(4) . ?
N5 C29 1.331(4) . ?
C13 C14 1.376(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.393(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.391(4) . ?
C15 C18 1.461(4) . ?
C16 C17 1.379(4) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.324(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.468(4) . ?
C19 H19 0.9500 . ?
C20 C24 1.389(4) . ?
C20 C21 1.396(4) . ?
C21 C22 1.376(4) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.388(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C25 1.305(6) 3_665 ?
C25 C26 1.467(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.386(5) . ?
C26 C30 1.389(4) . ?
C27 C28 1.373(5) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.377(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
N6 C34 1.334(5) . ?
N6 C35 1.337(4) . ?
C31 C31 1.324(6) 3_666 ?
C31 C32 1.459(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.386(5) . ?
C32 C36 1.395(4) . ?
C33 C34 1.381(5) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C36 1.377(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
N8 O6 1.218(3) . ?
N8 O4 1.254(4) . ?
N8 O5 1.268(3) . ?
N9 O7 1.223(4) . ?
N9 O8 1.239(4) . ?
N9 O9 1.261(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
O4W Dy1 O2W 140.80(7) . . ?
O4W Dy1 O3W 71.47(7) . . ?
O2W Dy1 O3W 70.42(7) . . ?
O4W Dy1 O1W 74.40(7) . . ?
O2W Dy1 O1W 138.55(7) . . ?
O3W Dy1 O1W 143.45(7) . . ?
O4W Dy1 O5 98.02(8) . . ?
O2W Dy1 O5 78.64(8) . . ?
O3W Dy1 O5 71.97(7) . . ?
O1W Dy1 O5 126.18(7) . . ?
O4W Dy1 O2 136.30(7) . . ?
O2W Dy1 O2 70.58(7) . . ?
O3W Dy1 O2 134.14(7) . . ?
O1W Dy1 O2 68.03(7) . . ?
O5 Dy1 O2 121.84(7) . . ?
O4W Dy1 O1 140.74(8) . . ?
O2W Dy1 O1 76.41(7) . . ?
O3W Dy1 O1 135.91(7) . . ?
O1W Dy1 O1 80.08(7) . . ?
O5 Dy1 O1 73.72(7) . . ?
O2 Dy1 O1 52.01(7) . . ?
O4W Dy1 O4 75.73(8) . . ?
O2W Dy1 O4 124.85(8) . . ?
O3W Dy1 O4 107.55(7) . . ?
O1W Dy1 O4 75.71(7) . . ?
O5 Dy1 O4 51.29(7) . . ?
O2 Dy1 O4 114.14(8) . . ?
O1 Dy1 O4 69.31(8) . . ?
O4W Dy1 N1 80.21(8) . . ?
O2W Dy1 N1 86.29(8) . . ?
O3W Dy1 N1 82.76(7) . . ?
O1W Dy1 N1 78.94(7) . . ?
O5 Dy1 N1 153.71(7) . . ?
O2 Dy1 N1 71.57(7) . . ?
O1 Dy1 N1 123.58(7) . . ?
O4 Dy1 N1 148.81(8) . . ?
O4W Dy1 N7 144.83(7) . . ?
O2W Dy1 N7 73.15(7) . . ?
O3W Dy1 N7 143.48(7) . . ?
O1W Dy1 N7 70.75(7) . . ?
O5 Dy1 N7 98.56(7) . . ?
O2 Dy1 N7 25.98(7) . . ?
O1 Dy1 N7 26.13(7) . . ?
O4 Dy1 N7 91.06(8) . . ?
N1 Dy1 N7 97.49(8) . . ?
O4W Dy1 N8 87.46(8) . . ?
O2W Dy1 N8 101.60(8) . . ?
O3W Dy1 N8 90.46(7) . . ?
O1W Dy1 N8 100.79(7) . . ?
O5 Dy1 N8 25.69(7) . . ?
O2 Dy1 N8 120.33(8) . . ?
O1 Dy1 N8 68.45(8) . . ?
O4 Dy1 N8 25.63(8) . . ?
N1 Dy1 N8 167.29(9) . . ?
N7 Dy1 N8 94.35(8) . . ?
Dy1 O1W H1WA 111.2 . . ?
Dy1 O1W H1WB 111.4 . . ?
H1WA O1W H1WB 109.3 . . ?
N7 O1 Dy1 95.60(16) . . ?
Dy1 O2W H2WA 112.2 . . ?
Dy1 O2W H2WB 111.6 . . ?
H2WA O2W H2WB 109.7 . . ?
N7 O2 Dy1 95.83(16) . . ?
Dy1 O3W H3WA 112.6 . . ?
Dy1 O3W H3WB 112.0 . . ?
H3WA O3W H3WB 109.9 . . ?
Dy1 O4W H4WA 112.7 . . ?
Dy1 O4W H4WB 113.5 . . ?
H4WA O4W H4WB 110.3 . . ?
C5 N1 C1 116.2(3) . . ?
C5 N1 Dy1 122.0(2) . . ?
C1 N1 Dy1 121.4(2) . . ?
C10 N2 C11 116.1(3) . . ?
N1 C1 C2 123.7(3) . . ?
N1 C1 H1 118.2 . . ?
C2 C1 H1 118.2 . . ?
C1 C2 C3 119.9(3) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C4 C3 C2 116.7(3) . . ?
C4 C3 C6 119.4(3) . . ?
C2 C3 C6 123.9(3) . . ?
C5 C4 C3 119.8(3) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
N1 C5 C4 123.8(3) . . ?
N1 C5 H5 118.1 . . ?
C4 C5 H5 118.1 . . ?
C7 C6 C3 126.1(3) . . ?
C7 C6 H6 116.9 . . ?
C3 C6 H6 116.9 . . ?
C6 C7 C8 125.6(3) . . ?
C6 C7 H7 117.2 . . ?
C8 C7 H7 117.2 . . ?
C9 C8 C12 116.6(3) . . ?
C9 C8 C7 120.0(3) . . ?
C12 C8 C7 123.5(3) . . ?
C10 C9 C8 119.7(3) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
N2 C10 C9 124.3(3) . . ?
N2 C10 H10 117.8 . . ?
C9 C10 H10 117.8 . . ?
N2 C11 C12 123.9(3) . . ?
N2 C11 H11 118.1 . . ?
C12 C11 H11 118.1 . . ?
C11 C12 C8 119.4(3) . . ?
C11 C12 H12 120.3 . . ?
C8 C12 H12 120.3 . . ?
C23 N3 C22 116.3(3) . . ?
C13 N4 C17 116.3(3) . . ?
C28 N5 C29 116.8(3) . . ?
N4 C13 C14 123.9(3) . . ?
N4 C13 H13 118.1 . . ?
C14 C13 H13 118.1 . . ?
C13 C14 C15 119.6(3) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C16 C15 C14 117.1(3) . . ?
C16 C15 C18 123.1(3) . . ?
C14 C15 C18 119.8(3) . . ?
C17 C16 C15 119.0(3) . . ?
C17 C16 H16 120.5 . . ?
C15 C16 H16 120.5 . . ?
N4 C17 C16 124.2(3) . . ?
N4 C17 H17 117.9 . . ?
C16 C17 H17 117.9 . . ?
C19 C18 C15 125.7(3) . . ?
C19 C18 H18 117.1 . . ?
C15 C18 H18 117.1 . . ?
C18 C19 C20 125.5(3) . . ?
C18 C19 H19 117.3 . . ?
C20 C19 H19 117.3 . . ?
C24 C20 C21 116.8(3) . . ?
C24 C20 C19 119.9(3) . . ?
C21 C20 C19 123.3(3) . . ?
C22 C21 C20 119.4(3) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
N3 C22 C21 124.1(3) . . ?
N3 C22 H22 117.9 . . ?
C21 C22 H22 117.9 . . ?
N3 C23 C24 123.8(3) . . ?
N3 C23 H23 118.1 . . ?
C24 C23 H23 118.1 . . ?
C23 C24 C20 119.5(3) . . ?
C23 C24 H24 120.3 . . ?
C20 C24 H24 120.3 . . ?
C25 C25 C26 126.4(4) 3_665 . ?
C25 C25 H25 116.8 3_665 . ?
C26 C25 H25 116.8 . . ?
C27 C26 C30 116.6(3) . . ?
C27 C26 C25 120.2(3) . . ?
C30 C26 C25 123.2(3) . . ?
C28 C27 C26 119.8(3) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
N5 C28 C27 123.6(3) . . ?
N5 C28 H28 118.2 . . ?
C27 C28 H28 118.2 . . ?
N5 C29 C30 123.5(3) . . ?
N5 C29 H29 118.3 . . ?
C30 C29 H29 118.3 . . ?
C29 C30 C26 119.7(3) . . ?
C29 C30 H30 120.2 . . ?
C26 C30 H30 120.2 . . ?
C34 N6 C35 116.1(3) . . ?
C31 C31 C32 127.1(4) 3_666 . ?
C31 C31 H31 116.4 3_666 . ?
C32 C31 H31 116.4 . . ?
C33 C32 C36 116.1(3) . . ?
C33 C32 C31 120.6(3) . . ?
C36 C32 C31 123.3(3) . . ?
C34 C33 C32 119.9(3) . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
N6 C34 C33 124.0(3) . . ?
N6 C34 H34 118.0 . . ?
C33 C34 H34 118.0 . . ?
N6 C35 C36 123.7(3) . . ?
N6 C35 H35 118.2 . . ?
C36 C35 H35 118.2 . . ?
C35 C36 C32 120.1(3) . . ?
C35 C36 H36 119.9 . . ?
C32 C36 H36 119.9 . . ?
O3 N7 O2 121.5(3) . . ?
O3 N7 O1 122.3(3) . . ?
O2 N7 O1 116.2(2) . . ?
O3 N7 Dy1 174.5(2) . . ?
O2 N7 Dy1 58.19(13) . . ?
O1 N7 Dy1 58.28(14) . . ?
O6 N8 O4 122.7(3) . . ?
O6 N8 O5 120.8(3) . . ?
O4 N8 O5 116.5(2) . . ?
O6 N8 Dy1 175.9(3) . . ?
O4 N8 Dy1 60.75(15) . . ?
O5 N8 Dy1 55.86(14) . . ?
O7 N9 O8 121.8(3) . . ?
O7 N9 O9 120.4(3) . . ?
O8 N9 O9 117.7(3) . . ?
N8 O4 Dy1 93.62(17) . . ?
N8 O5 Dy1 98.45(17) . . ?

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
O4W Dy1 O1 N7 -116.03(17) . . . . ?
O2W Dy1 O1 N7 79.39(16) . . . . ?
O3W Dy1 O1 N7 121.21(16) . . . . ?
O1W Dy1 O1 N7 -66.21(16) . . . . ?
O5 Dy1 O1 N7 161.31(17) . . . . ?
O2 Dy1 O1 N7 3.58(15) . . . . ?
O4 Dy1 O1 N7 -144.57(18) . . . . ?
N1 Dy1 O1 N7 3.30(19) . . . . ?
N8 Dy1 O1 N7 -172.07(18) . . . . ?
O4W Dy1 O2 N7 123.61(16) . . . . ?
O2W Dy1 O2 N7 -91.26(17) . . . . ?
O3W Dy1 O2 N7 -124.41(16) . . . . ?
O1W Dy1 O2 N7 90.95(16) . . . . ?
O5 Dy1 O2 N7 -28.96(18) . . . . ?
O1 Dy1 O2 N7 -3.60(15) . . . . ?
O4 Dy1 O2 N7 29.14(18) . . . . ?
N1 Dy1 O2 N7 176.15(18) . . . . ?
N8 Dy1 O2 N7 1.08(19) . . . . ?
O4W Dy1 N1 C5 31.7(2) . . . . ?
O2W Dy1 N1 C5 174.8(2) . . . . ?
O3W Dy1 N1 C5 104.1(2) . . . . ?
O1W Dy1 N1 C5 -44.1(2) . . . . ?
O5 Dy1 N1 C5 120.1(3) . . . . ?
O2 Dy1 N1 C5 -114.4(2) . . . . ?
O1 Dy1 N1 C5 -114.2(2) . . . . ?
O4 Dy1 N1 C5 -8.1(3) . . . . ?
N7 Dy1 N1 C5 -112.7(2) . . . . ?
N8 Dy1 N1 C5 45.9(5) . . . . ?
O4W Dy1 N1 C1 -156.6(2) . . . . ?
O2W Dy1 N1 C1 -13.5(2) . . . . ?
O3W Dy1 N1 C1 -84.2(2) . . . . ?
O1W Dy1 N1 C1 127.6(2) . . . . ?
O5 Dy1 N1 C1 -68.2(3) . . . . ?
O2 Dy1 N1 C1 57.3(2) . . . . ?
O1 Dy1 N1 C1 57.5(2) . . . . ?
O4 Dy1 N1 C1 163.6(2) . . . . ?
N7 Dy1 N1 C1 59.0(2) . . . . ?
N8 Dy1 N1 C1 -142.4(3) . . . . ?
C5 N1 C1 C2 -0.7(5) . . . . ?
Dy1 N1 C1 C2 -172.9(2) . . . . ?
N1 C1 C2 C3 1.4(5) . . . . ?
C1 C2 C3 C4 -0.9(5) . . . . ?
C1 C2 C3 C6 177.5(3) . . . . ?
C2 C3 C4 C5 -0.1(5) . . . . ?
C6 C3 C4 C5 -178.6(3) . . . . ?
C1 N1 C5 C4 -0.3(5) . . . . ?
Dy1 N1 C5 C4 171.8(2) . . . . ?
C3 C4 C5 N1 0.7(5) . . . . ?
C4 C3 C6 C7 -177.6(3) . . . . ?
C2 C3 C6 C7 4.0(5) . . . . ?
C3 C6 C7 C8 178.9(3) . . . . ?
C6 C7 C8 C9 -175.3(3) . . . . ?
C6 C7 C8 C12 3.5(5) . . . . ?
C12 C8 C9 C10 -2.8(5) . . . . ?
C7 C8 C9 C10 176.2(3) . . . . ?
C11 N2 C10 C9 0.7(5) . . . . ?
C8 C9 C10 N2 1.6(5) . . . . ?
C10 N2 C11 C12 -1.8(5) . . . . ?
N2 C11 C12 C8 0.6(5) . . . . ?
C9 C8 C12 C11 1.8(5) . . . . ?
C7 C8 C12 C11 -177.1(3) . . . . ?
C17 N4 C13 C14 0.2(5) . . . . ?
N4 C13 C14 C15 -1.6(5) . . . . ?
C13 C14 C15 C16 1.9(4) . . . . ?
C13 C14 C15 C18 -179.1(3) . . . . ?
C14 C15 C16 C17 -0.9(4) . . . . ?
C18 C15 C16 C17 -179.9(3) . . . . ?
C13 N4 C17 C16 0.9(5) . . . . ?
C15 C16 C17 N4 -0.5(5) . . . . ?
C16 C15 C18 C19 -7.5(5) . . . . ?
C14 C15 C18 C19 173.5(3) . . . . ?
C15 C18 C19 C20 176.7(3) . . . . ?
C18 C19 C20 C24 -166.4(3) . . . . ?
C18 C19 C20 C21 12.2(5) . . . . ?
C24 C20 C21 C22 0.4(5) . . . . ?
C19 C20 C21 C22 -178.3(3) . . . . ?
C23 N3 C22 C21 -0.5(5) . . . . ?
C20 C21 C22 N3 0.6(5) . . . . ?
C22 N3 C23 C24 -0.7(5) . . . . ?
N3 C23 C24 C20 1.7(6) . . . . ?
C21 C20 C24 C23 -1.4(5) . . . . ?
C19 C20 C24 C23 177.3(3) . . . . ?
C25 C25 C26 C27 178.3(4) 3_665 . . . ?
C25 C25 C26 C30 -1.0(7) 3_665 . . . ?
C30 C26 C27 C28 0.7(5) . . . . ?
C25 C26 C27 C28 -178.7(3) . . . . ?
C29 N5 C28 C27 0.4(5) . . . . ?
C26 C27 C28 N5 -0.6(6) . . . . ?
C28 N5 C29 C30 -0.4(5) . . . . ?
N5 C29 C30 C26 0.5(5) . . . . ?
C27 C26 C30 C29 -0.6(5) . . . . ?
C25 C26 C30 C29 178.7(3) . . . . ?
C31 C31 C32 C33 -175.8(4) 3_666 . . . ?
C31 C31 C32 C36 3.8(7) 3_666 . . . ?
C36 C32 C33 C34 -0.9(5) . . . . ?
C31 C32 C33 C34 178.7(3) . . . . ?
C35 N6 C34 C33 1.8(5) . . . . ?
C32 C33 C34 N6 -0.7(6) . . . . ?
C34 N6 C35 C36 -1.3(5) . . . . ?
N6 C35 C36 C32 -0.3(5) . . . . ?
C33 C32 C36 C35 1.3(5) . . . . ?
C31 C32 C36 C35 -178.2(3) . . . . ?
Dy1 O2 N7 O3 -173.6(3) . . . . ?
Dy1 O2 N7 O1 6.1(2) . . . . ?
Dy1 O1 N7 O3 173.6(3) . . . . ?
Dy1 O1 N7 O2 -6.1(2) . . . . ?
O4W Dy1 N7 O3 1(2) . . . . ?
O2W Dy1 N7 O3 169(2) . . . . ?
O3W Dy1 N7 O3 173(2) . . . . ?
O1W Dy1 N7 O3 10(2) . . . . ?
O5 Dy1 N7 O3 -116(2) . . . . ?
O2 Dy1 N7 O3 89(2) . . . . ?
O1 Dy1 N7 O3 -98(2) . . . . ?
O4 Dy1 N7 O3 -65(2) . . . . ?
N1 Dy1 N7 O3 85(2) . . . . ?
N8 Dy1 N7 O3 -90(2) . . . . ?
O4W Dy1 N7 O2 -87.3(2) . . . . ?
O2W Dy1 N7 O2 80.12(16) . . . . ?
O3W Dy1 N7 O2 84.26(19) . . . . ?
O1W Dy1 N7 O2 -79.15(16) . . . . ?
O5 Dy1 N7 O2 155.42(16) . . . . ?
O1 Dy1 N7 O2 173.5(3) . . . . ?
O4 Dy1 N7 O2 -153.61(16) . . . . ?
N1 Dy1 N7 O2 -3.68(17) . . . . ?
N8 Dy1 N7 O2 -179.07(16) . . . . ?
O4W Dy1 N7 O1 99.16(19) . . . . ?
O2W Dy1 N7 O1 -93.43(17) . . . . ?
O3W Dy1 N7 O1 -89.29(19) . . . . ?
O1W Dy1 N7 O1 107.31(17) . . . . ?
O5 Dy1 N7 O1 -18.13(17) . . . . ?
O2 Dy1 N7 O1 -173.5(3) . . . . ?
O4 Dy1 N7 O1 32.85(17) . . . . ?
N1 Dy1 N7 O1 -177.22(16) . . . . ?
N8 Dy1 N7 O1 7.39(17) . . . . ?
O4W Dy1 N8 O6 150(4) . . . . ?
O2W Dy1 N8 O6 9(4) . . . . ?
O3W Dy1 N8 O6 79(4) . . . . ?
O1W Dy1 N8 O6 -136(4) . . . . ?
O5 Dy1 N8 O6 36(4) . . . . ?
O2 Dy1 N8 O6 -66(4) . . . . ?
O1 Dy1 N8 O6 -62(4) . . . . ?
O4 Dy1 N8 O6 -148(4) . . . . ?
N1 Dy1 N8 O6 136(3) . . . . ?
N7 Dy1 N8 O6 -65(4) . . . . ?
O4W Dy1 N8 O4 -61.5(2) . . . . ?
O2W Dy1 N8 O4 157.03(19) . . . . ?
O3W Dy1 N8 O4 -132.9(2) . . . . ?
O1W Dy1 N8 O4 12.1(2) . . . . ?
O5 Dy1 N8 O4 -175.9(3) . . . . ?
O2 Dy1 N8 O4 82.9(2) . . . . ?
O1 Dy1 N8 O4 86.8(2) . . . . ?
N1 Dy1 N8 O4 -75.4(4) . . . . ?
N7 Dy1 N8 O4 83.4(2) . . . . ?
O4W Dy1 N8 O5 114.48(19) . . . . ?
O2W Dy1 N8 O5 -27.0(2) . . . . ?
O3W Dy1 N8 O5 43.05(19) . . . . ?
O1W Dy1 N8 O5 -171.93(18) . . . . ?
O2 Dy1 N8 O5 -101.19(19) . . . . ?
O1 Dy1 N8 O5 -97.2(2) . . . . ?
O4 Dy1 N8 O5 175.9(3) . . . . ?
N1 Dy1 N8 O5 100.6(4) . . . . ?
N7 Dy1 N8 O5 -100.71(19) . . . . ?
O6 N8 O4 Dy1 177.5(3) . . . . ?
O5 N8 O4 Dy1 -3.8(3) . . . . ?
O4W Dy1 O4 N8 115.1(2) . . . . ?
O2W Dy1 O4 N8 -27.8(2) . . . . ?
O3W Dy1 O4 N8 50.2(2) . . . . ?
O1W Dy1 O4 N8 -167.7(2) . . . . ?
O5 Dy1 O4 N8 2.26(18) . . . . ?
O2 Dy1 O4 N8 -110.2(2) . . . . ?
O1 Dy1 O4 N8 -83.1(2) . . . . ?
N1 Dy1 O4 N8 155.73(19) . . . . ?
N7 Dy1 O4 N8 -97.9(2) . . . . ?
O6 N8 O5 Dy1 -177.2(3) . . . . ?
O4 N8 O5 Dy1 4.0(3) . . . . ?
O4W Dy1 O5 N8 -66.66(19) . . . . ?
O2W Dy1 O5 N8 153.0(2) . . . . ?
O3W Dy1 O5 N8 -134.1(2) . . . . ?
O1W Dy1 O5 N8 9.8(2) . . . . ?
O2 Dy1 O5 N8 94.6(2) . . . . ?
O1 Dy1 O5 N8 74.00(19) . . . . ?
O4 Dy1 O5 N8 -2.25(18) . . . . ?
N1 Dy1 O5 N8 -150.8(2) . . . . ?
N7 Dy1 O5 N8 82.21(19) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1WA O8 0.85 2.03 2.812(3) 152.7 4_566
O1W H1WB N6 0.85 1.94 2.769(3) 163.3 .
O2W H2WA O9 0.85 1.94 2.728(3) 153.7 .
O2W H2WB N4 0.85 1.96 2.740(3) 152.9 1_455
O3W H3WA N2 0.85 1.99 2.793(3) 157.4 3_566
O3W H3WB N3 0.85 2.03 2.799(3) 150.5 2_545
O4W H4WA O9 0.85 1.94 2.673(3) 143.0 4_566
O4W H4WB N5 0.85 1.90 2.672(3) 150.3 4_466

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.364
_refine_diff_density_min         -0.715
_refine_diff_density_rms         0.070
####################################################################### 
# 
# 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 1401224'
_audit_update_record             
;
2015-05-15 deposited with the CCDC.
2015-09-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H76 Dy0.11 N18 O26 Y1.89'
_chemical_formula_weight         1795.42

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'
Y Y -2.7962 3.5667 '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)/c

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

_cell_length_a                   11.0563(5)
_cell_length_b                   21.8263(10)
_cell_length_c                   16.5576(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.631(4)
_cell_angle_gamma                90.00
_cell_volume                     3987.6(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    4757
_cell_measurement_theta_min      3.1640
_cell_measurement_theta_max      26.7870

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1846
_exptl_absorpt_coefficient_mu    1.561
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6019
_exptl_absorpt_correction_T_max  0.7600
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_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  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20005
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_sigmaI/netI    0.0676
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.95
_diffrn_reflns_theta_max         27.00
_reflns_number_total             8533
_reflns_number_gt                6541
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_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)+(0.0362P)²+3.6479P] 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         8533
_refine_ls_number_parameters     541
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0593
_refine_ls_wR_factor_ref         0.1106
_refine_ls_wR_factor_gt          0.1021
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_restrained_S_all      1.102
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.11743(3) 0.202084(14) 0.304827(18) 0.01757(9) Uani 0.06 1 d P . .
Y1 Y 0.11743(3) 0.202084(14) 0.304827(18) 0.01757(9) Uani 0.94 1 d P . .
O1W O 0.3001(2) 0.19310(10) 0.38820(14) 0.0240(5) Uani 1 1 d . . .
H1WA H 0.2881 0.1755 0.4328 0.029 Uiso 1 1 d R . .
H1WB H 0.3301 0.2284 0.3977 0.029 Uiso 1 1 d R . .
O1 O 0.2445(2) 0.17065(12) 0.19673(15) 0.0321(6) Uani 1 1 d . . .
O2W O 0.0379(2) 0.25680(11) 0.19253(14) 0.0274(6) Uani 1 1 d . . .
H2WA H 0.0900 0.2802 0.1728 0.033 Uiso 1 1 d R . .
H2WB H -0.0260 0.2764 0.2024 0.033 Uiso 1 1 d R . .
O2 O 0.2826(2) 0.26001(11) 0.24767(14) 0.0280(6) Uani 1 1 d . . .
O3W O -0.0990(2) 0.21750(10) 0.30959(14) 0.0248(5) Uani 1 1 d . . .
H3WA H -0.1201 0.2333 0.3535 0.030 Uiso 1 1 d R . .
H3WB H -0.1367 0.1838 0.3023 0.030 Uiso 1 1 d R . .
O3 O 0.3877(3) 0.22720(14) 0.15012(18) 0.0528(8) Uani 1 1 d . . .
O4W O 0.0577(2) 0.17025(12) 0.42982(15) 0.0347(6) Uani 1 1 d . . .
H4WA H 0.1183 0.1630 0.4626 0.042 Uiso 1 1 d R . .
H4WB H 0.0082 0.1405 0.4298 0.042 Uiso 1 1 d R . .
N1 N 0.1326(2) 0.30429(12) 0.37543(16) 0.0213(6) Uani 1 1 d . . .
N2 N 0.2074(3) 0.70010(14) 0.5729(2) 0.0372(8) Uani 1 1 d . . .
C1 C 0.1083(3) 0.35734(16) 0.3368(2) 0.0266(8) Uani 1 1 d . . .
H1 H 0.0971 0.3566 0.2795 0.032 Uiso 1 1 calc R . .
C2 C 0.0986(3) 0.41275(16) 0.3754(2) 0.0307(9) Uani 1 1 d . . .
H2 H 0.0794 0.4487 0.3450 0.037 Uiso 1 1 calc R . .
C3 C 0.1173(3) 0.41580(16) 0.4592(2) 0.0270(8) Uani 1 1 d . . .
C4 C 0.1575(3) 0.36237(16) 0.4979(2) 0.0291(8) Uani 1 1 d . . .
H4 H 0.1824 0.3632 0.5539 0.035 Uiso 1 1 calc R . .
C5 C 0.1613(3) 0.30845(15) 0.4556(2) 0.0257(8) Uani 1 1 d . . .
H5 H 0.1854 0.2723 0.4841 0.031 Uiso 1 1 calc R . .
C6 C 0.0801(3) 0.46928(16) 0.5093(2) 0.0295(9) Uani 1 1 d . . .
H6 H 0.1339 0.4727 0.5600 0.035 Uiso 1 1 calc R . .
C7 C 0.0602(3) 0.53278(16) 0.4698(2) 0.0296(8) Uani 1 1 d . . .
H7 H 0.0671 0.5299 0.4100 0.035 Uiso 1 1 calc R . .
C8 C 0.1298(3) 0.58771(16) 0.5033(2) 0.0288(8) Uani 1 1 d . . .
C9 C 0.1241(4) 0.64239(17) 0.4602(2) 0.0369(10) Uani 1 1 d . . .
H9 H 0.0952 0.6425 0.4049 0.044 Uiso 1 1 calc R . .
C10 C 0.1598(4) 0.69604(17) 0.4970(2) 0.0382(10) Uani 1 1 d . . .
H10 H 0.1502 0.7328 0.4666 0.046 Uiso 1 1 calc R . .
C11 C 0.2235(4) 0.64689(17) 0.6121(2) 0.0358(9) Uani 1 1 d . . .
H11 H 0.2621 0.6477 0.6650 0.043 Uiso 1 1 calc R . .
C12 C 0.1876(3) 0.59098(17) 0.5806(2) 0.0321(9) Uani 1 1 d . . .
H12 H 0.2020 0.5547 0.6114 0.038 Uiso 1 1 calc R . .
N3 N 0.2923(3) 0.63920(15) 0.2560(2) 0.0440(9) Uani 0.50 1 d P A 1
N4 N 0.8222(3) 0.31929(16) 0.1704(2) 0.0424(9) Uani 0.50 1 d P A 1
N5 N 0.8579(3) 0.39729(19) -0.0482(2) 0.0494(10) Uani 0.50 1 d P B 1
C13 C 0.7052(3) 0.30279(17) 0.1674(2) 0.0325(9) Uani 0.50 1 d P A 1
H13A H 0.6865 0.2603 0.1660 0.039 Uiso 0.50 1 calc PR A 1
C14 C 0.6112(3) 0.34360(18) 0.1661(2) 0.0318(9) Uani 0.50 1 d P A 1
H14A H 0.5300 0.3293 0.1638 0.038 Uiso 0.50 1 calc PR A 1
C15 C 0.6350(3) 0.40570(18) 0.1680(2) 0.0358(10) Uani 0.50 1 d P A 1
C16 C 0.7556(3) 0.42399(17) 0.1727(2) 0.0328(9) Uani 0.50 1 d P A 1
H16A H 0.7765 0.4662 0.1752 0.039 Uiso 0.50 1 calc PR A 1
C17 C 0.8444(4) 0.3796(2) 0.1738(3) 0.0435(11) Uani 0.50 1 d P A 1
H17A H 0.9266 0.3926 0.1770 0.052 Uiso 0.50 1 calc PR A 1
C18 C 0.5302(7) 0.4525(3) 0.1288(5) 0.0279(12) Uani 0.50 1 d P A 1
H18A H 0.4489 0.4388 0.1452 0.033 Uiso 0.50 1 calc PR A 1
C19 C 0.5427(6) 0.5213(3) 0.1417(5) 0.0293(12) Uani 0.50 1 d P A 1
H19A H 0.5956 0.5449 0.1110 0.035 Uiso 0.50 1 calc PR A 1
C20 C 0.4630(3) 0.55339(19) 0.2093(3) 0.0431(11) Uani 0.50 1 d P A 1
C21 C 0.3502(4) 0.53531(17) 0.2307(2) 0.0358(10) Uani 0.50 1 d P A 1
H21A H 0.3283 0.4932 0.2295 0.043 Uiso 0.50 1 calc PR A 1
C22 C 0.2696(4) 0.57893(19) 0.2539(3) 0.0395(10) Uani 0.50 1 d P A 1
H22A H 0.1928 0.5654 0.2694 0.047 Uiso 0.50 1 calc PR A 1
C23 C 0.4032(4) 0.65561(17) 0.2377(3) 0.0369(10) Uani 0.50 1 d P A 1
H23A H 0.4232 0.6979 0.2398 0.044 Uiso 0.50 1 calc PR A 1
C24 C 0.4903(3) 0.61536(18) 0.2159(2) 0.0359(10) Uani 0.50 1 d P A 1
H24A H 0.5688 0.6297 0.2053 0.043 Uiso 0.50 1 calc PR A 1
C25 C 0.5243(6) 0.4628(3) 0.0331(4) 0.0277(12) Uani 0.50 1 d P . 1
H25A H 0.4530 0.4801 0.0073 0.033 Uiso 0.50 1 calc PR . 1
C26 C 0.6333(4) 0.4452(2) -0.0204(3) 0.0545(13) Uani 0.50 1 d P B 1
C27 C 0.7336(4) 0.48313(19) -0.0250(3) 0.0484(12) Uani 0.50 1 d P B 1
H27A H 0.7268 0.5262 -0.0181 0.058 Uiso 0.50 1 calc PR B 1
C28 C 0.8428(4) 0.4567(2) -0.0398(3) 0.0413(10) Uani 0.50 1 d P B 1
H28A H 0.9109 0.4827 -0.0443 0.050 Uiso 0.50 1 calc PR B 1
C29 C 0.7612(4) 0.3621(2) -0.0425(3) 0.0452(11) Uani 0.50 1 d P B 1
H29A H 0.7706 0.3191 -0.0483 0.054 Uiso 0.50 1 calc PR B 1
C30 C 0.6495(4) 0.38396(18) -0.0289(2) 0.0370(10) Uani 0.50 1 d P B 1
H30A H 0.5831 0.3567 -0.0254 0.044 Uiso 0.50 1 calc PR B 1
N3' N 0.2923(3) 0.63920(15) 0.2560(2) 0.0440(9) Uani 0.50 1 d P C 2
N4' N 0.8222(3) 0.31929(16) 0.1704(2) 0.0424(9) Uani 0.50 1 d P C 2
N5' N 0.8579(3) 0.39729(19) -0.0482(2) 0.0494(10) Uani 0.50 1 d P D 2
C13' C 0.7052(3) 0.30279(17) 0.1674(2) 0.0325(9) Uani 0.50 1 d P C 2
H13B H 0.6865 0.2603 0.1660 0.039 Uiso 0.50 1 calc PR C 2
C14' C 0.6112(3) 0.34360(18) 0.1661(2) 0.0318(9) Uani 0.50 1 d P C 2
H14B H 0.5300 0.3293 0.1638 0.038 Uiso 0.50 1 calc PR C 2
C15' C 0.6350(3) 0.40570(18) 0.1680(2) 0.0358(10) Uani 0.50 1 d P C 2
C16' C 0.7556(3) 0.42399(17) 0.1727(2) 0.0328(9) Uani 0.50 1 d P C 2
H16B H 0.7765 0.4662 0.1752 0.039 Uiso 0.50 1 calc PR C 2
C17' C 0.8444(4) 0.3796(2) 0.1738(3) 0.0435(11) Uani 0.50 1 d P C 2
H17B H 0.9266 0.3926 0.1770 0.052 Uiso 0.50 1 calc PR C 2
C18' C 0.5425(7) 0.4473(3) 0.1883(4) 0.0279(12) Uani 0.50 1 d P C 2
H18B H 0.4628 0.4314 0.1905 0.033 Uiso 0.50 1 calc PR C 2
C19' C 0.5579(7) 0.5065(3) 0.2044(5) 0.0293(12) Uani 0.50 1 d P C 2
H19B H 0.6392 0.5200 0.2137 0.035 Uiso 0.50 1 calc PR C 2
C20' C 0.4630(3) 0.55339(19) 0.2093(3) 0.0431(11) Uani 0.50 1 d P C 2
C21' C 0.3502(4) 0.53531(17) 0.2307(2) 0.0358(10) Uani 0.50 1 d P C 2
H21B H 0.3283 0.4932 0.2295 0.043 Uiso 0.50 1 calc PR C 2
C22' C 0.2696(4) 0.57893(19) 0.2539(3) 0.0395(10) Uani 0.50 1 d P C 2
H22B H 0.1928 0.5654 0.2694 0.047 Uiso 0.50 1 calc PR C 2
C23' C 0.4032(4) 0.65561(17) 0.2377(3) 0.0369(10) Uani 0.50 1 d P C 2
H23B H 0.4232 0.6979 0.2398 0.044 Uiso 0.50 1 calc PR C 2
C24' C 0.4903(3) 0.61536(18) 0.2159(2) 0.0359(10) Uani 0.50 1 d P C 2
H24B H 0.5688 0.6297 0.2053 0.043 Uiso 0.50 1 calc PR C 2
C25' C 0.4968(6) 0.4679(3) -0.0469(4) 0.0277(12) Uani 0.50 1 d P D 2
H25B H 0.4410 0.4350 -0.0392 0.042 Uiso 0.50 1 d PR D 2
C26' C 0.6333(4) 0.4452(2) -0.0204(3) 0.0545(13) Uani 0.50 1 d P D 2
C27' C 0.7336(4) 0.48313(19) -0.0250(3) 0.0484(12) Uani 0.50 1 d P D 2
H27B H 0.7268 0.5262 -0.0181 0.058 Uiso 0.50 1 calc PR D 2
C28' C 0.8428(4) 0.4567(2) -0.0398(3) 0.0413(10) Uani 0.50 1 d P D 2
H28B H 0.9109 0.4827 -0.0443 0.050 Uiso 0.50 1 calc PR D 2
C29' C 0.7612(4) 0.3621(2) -0.0425(3) 0.0452(11) Uani 0.50 1 d P D 2
H29B H 0.7706 0.3191 -0.0483 0.054 Uiso 0.50 1 calc PR D 2
C30' C 0.6495(4) 0.38396(18) -0.0289(2) 0.0370(10) Uani 0.50 1 d P D 2
H30B H 0.5831 0.3567 -0.0254 0.044 Uiso 0.50 1 calc PR D 2
N6 N 0.4484(3) 0.29598(15) 0.41060(19) 0.0360(8) Uani 1 1 d . . .
C31 C 0.5166(4) 0.47264(18) 0.5157(3) 0.0484(12) Uani 1 1 d . . .
H31 H 0.5585 0.4729 0.5676 0.058 Uiso 1 1 calc R . .
C32 C 0.4951(4) 0.41262(18) 0.4780(2) 0.0356(9) Uani 1 1 d . . .
C33 C 0.5155(4) 0.35976(18) 0.5225(2) 0.0396(10) Uani 1 1 d . . .
H33 H 0.5461 0.3621 0.5773 0.048 Uiso 1 1 calc R . .
C34 C 0.4913(4) 0.30339(18) 0.4871(2) 0.0361(9) Uani 1 1 d . . .
H34 H 0.5062 0.2678 0.5191 0.043 Uiso 1 1 calc R . .
C35 C 0.4323(4) 0.34713(19) 0.3670(2) 0.0383(10) Uani 1 1 d . . .
H35 H 0.4042 0.3432 0.3119 0.046 Uiso 1 1 calc R . .
C36 C 0.4540(4) 0.40516(18) 0.3970(2) 0.0368(10) Uani 1 1 d . . .
H36 H 0.4411 0.4399 0.3629 0.044 Uiso 1 1 calc R . .
N7 N 0.3081(3) 0.21953(15) 0.19645(18) 0.0299(7) Uani 1 1 d . . .
N8 N 0.0776(3) 0.07536(14) 0.2589(2) 0.0360(8) Uani 1 1 d . . .
N9 N 0.2473(3) 0.35515(14) 0.09502(19) 0.0310(7) Uani 1 1 d . . .
O4 O 0.1609(2) 0.08845(12) 0.31153(16) 0.0398(7) Uani 1 1 d . . .
O5 O 0.0128(2) 0.11989(11) 0.23148(16) 0.0312(6) Uani 1 1 d . . .
O6 O 0.0594(3) 0.02325(12) 0.2339(2) 0.0682(11) Uani 1 1 d . . .
O7 O 0.2544(3) 0.38476(13) 0.15835(17) 0.0518(8) Uani 1 1 d . . .
O8 O 0.3248(2) 0.36096(12) 0.04394(16) 0.0385(7) Uani 1 1 d . . .
O9 O 0.1608(2) 0.31771(13) 0.08010(15) 0.0406(7) 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 O4W 2.318(2) . ?
Dy1 O2W 2.335(2) . ?
Dy1 O1W 2.381(2) . ?
Dy1 O5 2.419(2) . ?
Dy1 O3W 2.423(2) . ?
Dy1 O1 2.443(2) . ?
Dy1 O2 2.459(2) . ?
Dy1 N1 2.519(3) . ?
Dy1 O4 2.527(3) . ?
Dy1 N7 2.879(3) . ?
Dy1 N8 2.895(3) . ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8500 . ?
O1 N7 1.278(4) . ?
O2W H2WA 0.8500 . ?
O2W H2WB 0.8500 . ?
O2 N7 1.269(4) . ?
O3W H3WA 0.8499 . ?
O3W H3WB 0.8500 . ?
O3 N7 1.215(4) . ?
O4W H4WA 0.8500 . ?
O4W H4WB 0.8499 . ?
N1 C1 1.342(4) . ?
N1 C5 1.348(4) . ?
N2 C10 1.335(5) . ?
N2 C11 1.336(5) . ?
C1 C2 1.375(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.392(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.390(5) . ?
C3 C6 1.504(5) . ?
C4 C5 1.372(5) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.542(5) . ?
C6 C7 1.612(5) 3_566 ?
C6 H6 1.0000 . ?
C7 C8 1.511(5) . ?
C7 C6 1.612(5) 3_566 ?
C7 H7 1.0000 . ?
C8 C9 1.390(5) . ?
C8 C12 1.396(5) . ?
C9 C10 1.367(5) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.376(5) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
N3 C23 1.331(5) . ?
N3 C22 1.339(5) . ?
N4 C17 1.340(5) . ?
N4 C13 1.340(5) . ?
N5 C28 1.316(5) . ?
N5 C29 1.326(6) . ?
C13 C14 1.368(5) . ?
C13 H13A 0.9500 . ?
C14 C15 1.381(5) . ?
C14 H14A 0.9500 . ?
C15 C16 1.389(5) . ?
C15 C18 1.647(8) . ?
C16 C17 1.379(5) . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C18 C19 1.522(10) . ?
C18 C25 1.598(10) . ?
C18 H18A 1.0000 . ?
C19 C20 1.627(8) . ?
C19 H19A 0.9500 . ?
C20 C21 1.376(6) . ?
C20 C24 1.389(5) . ?
C21 C22 1.375(5) . ?
C21 H21A 0.9500 . ?
C22 H22A 0.9500 . ?
C23 C24 1.368(5) . ?
C23 H23A 0.9500 . ?
C24 H24A 0.9500 . ?
C25 C26 1.588(8) . ?
C25 C25 2.012(14) 3_665 ?
C25 H25A 0.9500 . ?
C26 C30 1.356(6) . ?
C26 C27 1.390(6) . ?
C27 C28 1.374(5) . ?
C27 H27A 0.9500 . ?
C28 H28A 0.9500 . ?
C29 C30 1.356(6) . ?
C29 H29A 0.9500 . ?
C30 H30A 0.9500 . ?
C18' C19' 1.326(10) . ?
C18' H18B 0.9500 . ?
C19' H19B 0.9500 . ?
C25' H25B 0.9604 . ?
N6 C34 1.334(5) . ?
N6 C35 1.335(5) . ?
C31 C31 1.344(8) 3_666 ?
C31 C32 1.464(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.380(5) . ?
C32 C36 1.399(5) . ?
C33 C34 1.382(5) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C36 1.376(5) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
N8 O6 1.223(4) . ?
N8 O4 1.259(4) . ?
N8 O5 1.274(4) . ?
N9 O7 1.230(4) . ?
N9 O8 1.248(4) . ?
N9 O9 1.270(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
O4W Dy1 O2W 138.60(8) . . ?
O4W Dy1 O1W 74.74(8) . . ?
O2W Dy1 O1W 140.07(8) . . ?
O4W Dy1 O5 94.11(9) . . ?
O2W Dy1 O5 80.53(8) . . ?
O1W Dy1 O5 126.22(8) . . ?
O4W Dy1 O3W 71.03(8) . . ?
O2W Dy1 O3W 68.39(8) . . ?
O1W Dy1 O3W 142.74(8) . . ?
O5 Dy1 O3W 71.19(8) . . ?
O4W Dy1 O1 141.21(9) . . ?
O2W Dy1 O1 76.43(8) . . ?
O1W Dy1 O1 84.00(8) . . ?
O5 Dy1 O1 72.71(9) . . ?
O3W Dy1 O1 132.69(8) . . ?
O4W Dy1 O2 139.29(8) . . ?
O2W Dy1 O2 71.45(8) . . ?
O1W Dy1 O2 69.04(8) . . ?
O5 Dy1 O2 122.08(8) . . ?
O3W Dy1 O2 134.44(8) . . ?
O1 Dy1 O2 52.18(8) . . ?
O4W Dy1 N1 82.27(9) . . ?
O2W Dy1 N1 85.83(9) . . ?
O1W Dy1 N1 76.99(8) . . ?
O5 Dy1 N1 154.85(8) . . ?
O3W Dy1 N1 84.19(8) . . ?
O1 Dy1 N1 124.35(9) . . ?
O2 Dy1 N1 72.19(8) . . ?
O4W Dy1 O4 74.38(9) . . ?
O2W Dy1 O4 126.72(8) . . ?
O1W Dy1 O4 75.05(8) . . ?
O5 Dy1 O4 51.52(8) . . ?
O3W Dy1 O4 108.67(8) . . ?
O1 Dy1 O4 68.90(9) . . ?
O2 Dy1 O4 112.20(9) . . ?
N1 Dy1 O4 147.33(8) . . ?
O4W Dy1 N7 149.01(8) . . ?
O2W Dy1 N7 71.92(8) . . ?
O1W Dy1 N7 75.20(8) . . ?
O5 Dy1 N7 97.52(9) . . ?
O3W Dy1 N7 139.97(8) . . ?
O1 Dy1 N7 26.17(8) . . ?
O2 Dy1 N7 26.00(8) . . ?
N1 Dy1 N7 98.18(9) . . ?
O4 Dy1 N7 90.72(9) . . ?
O4W Dy1 N8 84.30(9) . . ?
O2W Dy1 N8 103.68(9) . . ?
O1W Dy1 N8 100.53(8) . . ?
O5 Dy1 N8 25.81(8) . . ?
O3W Dy1 N8 90.41(8) . . ?
O1 Dy1 N8 67.93(9) . . ?
O2 Dy1 N8 119.64(9) . . ?
N1 Dy1 N8 166.52(9) . . ?
O4 Dy1 N8 25.72(8) . . ?
N7 Dy1 N8 93.90(9) . . ?
Dy1 O1W H1WA 111.6 . . ?
Dy1 O1W H1WB 109.8 . . ?
H1WA O1W H1WB 109.3 . . ?
N7 O1 Dy1 96.32(19) . . ?
Dy1 O2W H2WA 112.5 . . ?
Dy1 O2W H2WB 112.3 . . ?
H2WA O2W H2WB 111.3 . . ?
N7 O2 Dy1 95.81(19) . . ?
Dy1 O3W H3WA 114.2 . . ?
Dy1 O3W H3WB 110.6 . . ?
H3WA O3W H3WB 108.3 . . ?
Dy1 O4W H4WA 111.6 . . ?
Dy1 O4W H4WB 116.7 . . ?
H4WA O4W H4WB 109.8 . . ?
C1 N1 C5 116.0(3) . . ?
C1 N1 Dy1 122.5(2) . . ?
C5 N1 Dy1 121.4(2) . . ?
C10 N2 C11 115.6(3) . . ?
N1 C1 C2 123.9(3) . . ?
N1 C1 H1 118.1 . . ?
C2 C1 H1 118.1 . . ?
C1 C2 C3 119.6(3) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C4 C3 C2 116.3(3) . . ?
C4 C3 C6 119.2(3) . . ?
C2 C3 C6 124.0(3) . . ?
C5 C4 C3 120.2(3) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
N1 C5 C4 123.2(3) . . ?
N1 C5 H5 118.4 . . ?
C4 C5 H5 118.4 . . ?
C3 C6 C7 120.0(3) . . ?
C3 C6 C7 113.4(3) . 3_566 ?
C7 C6 C7 90.2(3) . 3_566 ?
C3 C6 H6 110.6 . . ?
C7 C6 H6 110.6 . . ?
C7 C6 H6 110.6 3_566 . ?
C8 C7 C6 120.1(3) . . ?
C8 C7 C6 114.7(3) . 3_566 ?
C6 C7 C6 89.8(3) . 3_566 ?
C8 C7 H7 110.2 . . ?
C6 C7 H7 110.2 . . ?
C6 C7 H7 110.2 3_566 . ?
C9 C8 C12 115.5(3) . . ?
C9 C8 C7 119.2(3) . . ?
C12 C8 C7 124.7(3) . . ?
C10 C9 C8 120.3(4) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
N2 C10 C9 124.2(4) . . ?
N2 C10 H10 117.9 . . ?
C9 C10 H10 117.9 . . ?
N2 C11 C12 124.1(4) . . ?
N2 C11 H11 118.0 . . ?
C12 C11 H11 118.0 . . ?
C11 C12 C8 119.8(4) . . ?
C11 C12 H12 120.1 . . ?
C8 C12 H12 120.1 . . ?
C23 N3 C22 115.6(3) . . ?
C17 N4 C13 116.1(3) . . ?
C28 N5 C29 117.1(4) . . ?
N4 C13 C14 123.8(4) . . ?
N4 C13 H13A 118.1 . . ?
C14 C13 H13A 118.1 . . ?
C13 C14 C15 119.7(4) . . ?
C13 C14 H14A 120.1 . . ?
C15 C14 H14A 120.1 . . ?
C14 C15 C16 117.6(4) . . ?
C14 C15 C18 118.1(4) . . ?
C16 C15 C18 119.5(4) . . ?
C17 C16 C15 118.6(4) . . ?
C17 C16 H16A 120.7 . . ?
C15 C16 H16A 120.7 . . ?
N4 C17 C16 124.1(4) . . ?
N4 C17 H17A 117.9 . . ?
C16 C17 H17A 117.9 . . ?
C19 C18 C25 89.8(5) . . ?
C19 C18 C15 120.0(6) . . ?
C25 C18 C15 117.6(5) . . ?
C19 C18 H18A 109.3 . . ?
C25 C18 H18A 109.3 . . ?
C15 C18 H18A 109.3 . . ?
C18 C19 C20 118.2(6) . . ?
C18 C19 H19A 120.9 . . ?
C20 C19 H19A 120.9 . . ?
C21 C20 C24 117.1(4) . . ?
C21 C20 C19 126.4(4) . . ?
C24 C20 C19 110.4(4) . . ?
C22 C21 C20 119.2(4) . . ?
C22 C21 H21A 120.4 . . ?
C20 C21 H21A 120.4 . . ?
N3 C22 C21 124.4(4) . . ?
N3 C22 H22A 117.8 . . ?
C21 C22 H22A 117.8 . . ?
N3 C23 C24 124.1(4) . . ?
N3 C23 H23A 117.9 . . ?
C24 C23 H23A 117.9 . . ?
C23 C24 C20 119.6(4) . . ?
C23 C24 H24A 120.2 . . ?
C20 C24 H24A 120.2 . . ?
C26 C25 C18 122.3(6) . . ?
C26 C25 C25 94.5(5) . 3_665 ?
C18 C25 C25 130.3(6) . 3_665 ?
C26 C25 H25A 118.9 . . ?
C18 C25 H25A 118.9 . . ?
C25 C25 H25A 41.4 3_665 . ?
C26 C25 H25B 84.9 . . ?
C18 C25 H25B 132.9 . . ?
C25 C25 H25B 77.0 3_665 . ?
H25A C25 H25B 52.2 . . ?
C30 C26 C27 118.1(4) . . ?
C30 C26 C25 114.0(4) . . ?
C27 C26 C25 121.5(5) . . ?
C28 C27 C26 118.2(4) . . ?
C28 C27 H27A 120.9 . . ?
C26 C27 H27A 120.9 . . ?
N5 C28 C27 123.5(4) . . ?
N5 C28 H28A 118.3 . . ?
C27 C28 H28A 118.3 . . ?
N5 C29 C30 123.7(4) . . ?
N5 C29 H29A 118.1 . . ?
C30 C29 H29A 118.1 . . ?
C26 C30 C29 119.4(4) . . ?
C26 C30 H30A 120.3 . . ?
C29 C30 H30A 120.3 . . ?
C19' C18' H18B 117.2 . . ?
C18' C19' H19B 116.4 . . ?
C34 N6 C35 116.0(3) . . ?
C31 C31 C32 126.7(5) 3_666 . ?
C31 C31 H31 116.6 3_666 . ?
C32 C31 H31 116.6 . . ?
C33 C32 C36 116.5(4) . . ?
C33 C32 C31 120.3(4) . . ?
C36 C32 C31 123.2(4) . . ?
C32 C33 C34 119.8(4) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
N6 C34 C33 124.0(4) . . ?
N6 C34 H34 118.0 . . ?
C33 C34 H34 118.0 . . ?
N6 C35 C36 124.1(4) . . ?
N6 C35 H35 117.9 . . ?
C36 C35 H35 117.9 . . ?
C35 C36 C32 119.4(4) . . ?
C35 C36 H36 120.3 . . ?
C32 C36 H36 120.3 . . ?
O3 N7 O2 121.8(3) . . ?
O3 N7 O1 122.5(3) . . ?
O2 N7 O1 115.7(3) . . ?
O3 N7 Dy1 179.3(3) . . ?
O2 N7 Dy1 58.19(16) . . ?
O1 N7 Dy1 57.50(16) . . ?
O6 N8 O4 122.9(3) . . ?
O6 N8 O5 120.8(3) . . ?
O4 N8 O5 116.3(3) . . ?
O6 N8 Dy1 175.4(3) . . ?
O4 N8 Dy1 60.62(17) . . ?
O5 N8 Dy1 55.77(16) . . ?
O7 N9 O8 121.0(3) . . ?
O7 N9 O9 120.7(3) . . ?
O8 N9 O9 118.3(3) . . ?
N8 O4 Dy1 93.66(19) . . ?
N8 O5 Dy1 98.41(19) . . ?

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
O4W Dy1 O1 N7 -124.8(2) . . . . ?
O2W Dy1 O1 N7 76.56(19) . . . . ?
O1W Dy1 O1 N7 -68.38(18) . . . . ?
O5 Dy1 O1 N7 160.7(2) . . . . ?
O3W Dy1 O1 N7 118.99(18) . . . . ?
O2 Dy1 O1 N7 -0.33(17) . . . . ?
N1 Dy1 O1 N7 1.4(2) . . . . ?
O4 Dy1 O1 N7 -144.6(2) . . . . ?
N8 Dy1 O1 N7 -172.3(2) . . . . ?
O4W Dy1 O2 N7 127.96(19) . . . . ?
O2W Dy1 O2 N7 -86.64(19) . . . . ?
O1W Dy1 O2 N7 99.29(19) . . . . ?
O5 Dy1 O2 N7 -21.2(2) . . . . ?
O3W Dy1 O2 N7 -115.83(19) . . . . ?
O1 Dy1 O2 N7 0.33(17) . . . . ?
N1 Dy1 O2 N7 -178.2(2) . . . . ?
O4 Dy1 O2 N7 36.3(2) . . . . ?
N8 Dy1 O2 N7 8.9(2) . . . . ?
O4W Dy1 N1 C1 -146.5(3) . . . . ?
O2W Dy1 N1 C1 -6.3(3) . . . . ?
O1W Dy1 N1 C1 137.4(3) . . . . ?
O5 Dy1 N1 C1 -63.3(4) . . . . ?
O3W Dy1 N1 C1 -74.9(3) . . . . ?
O1 Dy1 N1 C1 64.2(3) . . . . ?
O2 Dy1 N1 C1 65.6(3) . . . . ?
O4 Dy1 N1 C1 169.1(2) . . . . ?
N7 Dy1 N1 C1 64.8(3) . . . . ?
N8 Dy1 N1 C1 -141.7(4) . . . . ?
O4W Dy1 N1 C5 30.9(2) . . . . ?
O2W Dy1 N1 C5 171.1(3) . . . . ?
O1W Dy1 N1 C5 -45.2(2) . . . . ?
O5 Dy1 N1 C5 114.1(3) . . . . ?
O3W Dy1 N1 C5 102.5(2) . . . . ?
O1 Dy1 N1 C5 -118.4(2) . . . . ?
O2 Dy1 N1 C5 -117.0(3) . . . . ?
O4 Dy1 N1 C5 -13.5(3) . . . . ?
N7 Dy1 N1 C5 -117.8(2) . . . . ?
N8 Dy1 N1 C5 35.7(5) . . . . ?
C5 N1 C1 C2 -7.3(5) . . . . ?
Dy1 N1 C1 C2 170.2(3) . . . . ?
N1 C1 C2 C3 1.5(6) . . . . ?
C1 C2 C3 C4 6.5(5) . . . . ?
C1 C2 C3 C6 -164.4(4) . . . . ?
C2 C3 C4 C5 -8.7(5) . . . . ?
C6 C3 C4 C5 162.8(3) . . . . ?
C1 N1 C5 C4 5.0(5) . . . . ?
Dy1 N1 C5 C4 -172.6(3) . . . . ?
C3 C4 C5 N1 3.0(6) . . . . ?
C4 C3 C6 C7 167.6(3) . . . . ?
C2 C3 C6 C7 -21.7(6) . . . . ?
C4 C3 C6 C7 -87.7(4) . . . 3_566 ?
C2 C3 C6 C7 83.0(4) . . . 3_566 ?
C3 C6 C7 C8 -123.8(4) . . . . ?
C7 C6 C7 C8 118.7(4) 3_566 . . . ?
C3 C6 C7 C6 117.4(4) . . . 3_566 ?
C7 C6 C7 C6 0.0 3_566 . . 3_566 ?
C6 C7 C8 C9 170.7(3) . . . . ?
C6 C7 C8 C9 -84.1(4) 3_566 . . . ?
C6 C7 C8 C12 -18.5(6) . . . . ?
C6 C7 C8 C12 86.7(4) 3_566 . . . ?
C12 C8 C9 C10 -7.8(6) . . . . ?
C7 C8 C9 C10 163.7(4) . . . . ?
C11 N2 C10 C9 2.5(6) . . . . ?
C8 C9 C10 N2 3.6(7) . . . . ?
C10 N2 C11 C12 -4.1(6) . . . . ?
N2 C11 C12 C8 -0.4(6) . . . . ?
C9 C8 C12 C11 6.3(6) . . . . ?
C7 C8 C12 C11 -164.7(4) . . . . ?
C17 N4 C13 C14 1.3(6) . . . . ?
N4 C13 C14 C15 -0.1(6) . . . . ?
C13 C14 C15 C16 -1.1(6) . . . . ?
C13 C14 C15 C18 154.4(4) . . . . ?
C14 C15 C16 C17 1.1(6) . . . . ?
C18 C15 C16 C17 -154.1(4) . . . . ?
C13 N4 C17 C16 -1.2(6) . . . . ?
C15 C16 C17 N4 0.1(6) . . . . ?
C14 C15 C18 C19 169.9(5) . . . . ?
C16 C15 C18 C19 -35.1(8) . . . . ?
C14 C15 C18 C25 -82.8(6) . . . . ?
C16 C15 C18 C25 72.3(7) . . . . ?
C25 C18 C19 C20 136.0(6) . . . . ?
C15 C18 C19 C20 -101.8(7) . . . . ?
C18 C19 C20 C21 -31.7(8) . . . . ?
C18 C19 C20 C24 176.9(5) . . . . ?
C24 C20 C21 C22 2.6(6) . . . . ?
C19 C20 C21 C22 -147.0(5) . . . . ?
C23 N3 C22 C21 -3.3(6) . . . . ?
C20 C21 C22 N3 1.2(7) . . . . ?
C22 N3 C23 C24 1.5(6) . . . . ?
N3 C23 C24 C20 2.2(7) . . . . ?
C21 C20 C24 C23 -4.2(6) . . . . ?
C19 C20 C24 C23 150.1(4) . . . . ?
C19 C18 C25 C26 107.5(6) . . . . ?
C15 C18 C25 C26 -16.8(9) . . . . ?
C19 C18 C25 C25 -23.5(9) . . . 3_665 ?
C15 C18 C25 C25 -147.8(7) . . . 3_665 ?
C18 C25 C26 C30 71.0(8) . . . . ?
C25 C25 C26 C30 -144.2(5) 3_665 . . . ?
C18 C25 C26 C27 -80.2(8) . . . . ?
C25 C25 C26 C27 64.5(7) 3_665 . . . ?
C30 C26 C27 C28 1.5(7) . . . . ?
C25 C26 C27 C28 151.6(5) . . . . ?
C29 N5 C28 C27 0.7(7) . . . . ?
C26 C27 C28 N5 -1.5(7) . . . . ?
C28 N5 C29 C30 0.1(7) . . . . ?
C27 C26 C30 C29 -0.8(7) . . . . ?
C25 C26 C30 C29 -153.1(5) . . . . ?
N5 C29 C30 C26 0.0(7) . . . . ?
C31 C31 C32 C33 -168.8(6) 3_666 . . . ?
C31 C31 C32 C36 11.4(9) 3_666 . . . ?
C36 C32 C33 C34 -2.1(6) . . . . ?
C31 C32 C33 C34 178.0(4) . . . . ?
C35 N6 C34 C33 2.0(6) . . . . ?
C32 C33 C34 N6 0.0(6) . . . . ?
C34 N6 C35 C36 -1.9(6) . . . . ?
N6 C35 C36 C32 -0.2(6) . . . . ?
C33 C32 C36 C35 2.2(6) . . . . ?
C31 C32 C36 C35 -177.9(4) . . . . ?
Dy1 O2 N7 O3 179.2(3) . . . . ?
Dy1 O2 N7 O1 -0.6(3) . . . . ?
Dy1 O1 N7 O3 -179.2(3) . . . . ?
Dy1 O1 N7 O2 0.6(3) . . . . ?
O4W Dy1 N7 O3 -174(100) . . . . ?
O2W Dy1 N7 O3 -3(27) . . . . ?
O1W Dy1 N7 O3 -160(100) . . . . ?
O5 Dy1 N7 O3 75(27) . . . . ?
O3W Dy1 N7 O3 5(27) . . . . ?
O1 Dy1 N7 O3 93(27) . . . . ?
O2 Dy1 N7 O3 -87(27) . . . . ?
N1 Dy1 N7 O3 -85(27) . . . . ?
O4 Dy1 N7 O3 126(27) . . . . ?
N8 Dy1 N7 O3 101(27) . . . . ?
O4W Dy1 N7 O2 -86.9(2) . . . . ?
O2W Dy1 N7 O2 84.60(19) . . . . ?
O1W Dy1 N7 O2 -72.40(18) . . . . ?
O5 Dy1 N7 O2 162.03(18) . . . . ?
O3W Dy1 N7 O2 92.4(2) . . . . ?
O1 Dy1 N7 O2 -179.4(3) . . . . ?
N1 Dy1 N7 O2 1.74(19) . . . . ?
O4 Dy1 N7 O2 -146.72(19) . . . . ?
N8 Dy1 N7 O2 -172.27(19) . . . . ?
O4W Dy1 N7 O1 92.5(2) . . . . ?
O2W Dy1 N7 O1 -96.00(19) . . . . ?
O1W Dy1 N7 O1 107.00(19) . . . . ?
O5 Dy1 N7 O1 -18.56(19) . . . . ?
O3W Dy1 N7 O1 -88.2(2) . . . . ?
O2 Dy1 N7 O1 179.4(3) . . . . ?
N1 Dy1 N7 O1 -178.86(18) . . . . ?
O4 Dy1 N7 O1 32.68(19) . . . . ?
N8 Dy1 N7 O1 7.13(19) . . . . ?
O4W Dy1 N8 O6 155(4) . . . . ?
O2W Dy1 N8 O6 16(4) . . . . ?
O1W Dy1 N8 O6 -132(4) . . . . ?
O5 Dy1 N8 O6 43(3) . . . . ?
O3W Dy1 N8 O6 84(4) . . . . ?
O1 Dy1 N8 O6 -53(4) . . . . ?
O2 Dy1 N8 O6 -60(4) . . . . ?
N1 Dy1 N8 O6 150(3) . . . . ?
O4 Dy1 N8 O6 -140(4) . . . . ?
N7 Dy1 N8 O6 -56(4) . . . . ?
O4W Dy1 N8 O4 -65.4(2) . . . . ?
O2W Dy1 N8 O4 155.9(2) . . . . ?
O1W Dy1 N8 O4 7.9(2) . . . . ?
O5 Dy1 N8 O4 -177.2(4) . . . . ?
O3W Dy1 N8 O4 -136.3(2) . . . . ?
O1 Dy1 N8 O4 86.9(2) . . . . ?
O2 Dy1 N8 O4 79.7(2) . . . . ?
N1 Dy1 N8 O4 -70.2(5) . . . . ?
N7 Dy1 N8 O4 83.5(2) . . . . ?
O4W Dy1 N8 O5 111.8(2) . . . . ?
O2W Dy1 N8 O5 -26.9(2) . . . . ?
O1W Dy1 N8 O5 -174.9(2) . . . . ?
O3W Dy1 N8 O5 40.9(2) . . . . ?
O1 Dy1 N8 O5 -95.8(2) . . . . ?
O2 Dy1 N8 O5 -103.1(2) . . . . ?
N1 Dy1 N8 O5 107.1(4) . . . . ?
O4 Dy1 N8 O5 177.2(4) . . . . ?
N7 Dy1 N8 O5 -99.2(2) . . . . ?
O6 N8 O4 Dy1 176.5(4) . . . . ?
O5 N8 O4 Dy1 -2.6(3) . . . . ?
O4W Dy1 O4 N8 110.0(2) . . . . ?
O2W Dy1 O4 N8 -29.7(3) . . . . ?
O1W Dy1 O4 N8 -172.0(2) . . . . ?
O5 Dy1 O4 N8 1.5(2) . . . . ?
O3W Dy1 O4 N8 46.8(2) . . . . ?
O1 Dy1 O4 N8 -82.7(2) . . . . ?
O2 Dy1 O4 N8 -112.6(2) . . . . ?
N1 Dy1 O4 N8 156.0(2) . . . . ?
N7 Dy1 O4 N8 -97.5(2) . . . . ?
O6 N8 O5 Dy1 -176.3(4) . . . . ?
O4 N8 O5 Dy1 2.7(4) . . . . ?
O4W Dy1 O5 N8 -67.8(2) . . . . ?
O2W Dy1 O5 N8 153.5(2) . . . . ?
O1W Dy1 O5 N8 6.2(2) . . . . ?
O3W Dy1 O5 N8 -136.2(2) . . . . ?
O1 Dy1 O5 N8 74.9(2) . . . . ?
O2 Dy1 O5 N8 92.6(2) . . . . ?
N1 Dy1 O5 N8 -148.4(2) . . . . ?
O4 Dy1 O5 N8 -1.5(2) . . . . ?
N7 Dy1 O5 N8 83.4(2) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1WA O8 0.85 2.02 2.833(3) 159.2 4_566
O1W H1WB N6 0.85 1.97 2.791(4) 161.0 .
O2W H2WA O9 0.85 1.95 2.721(3) 150.7 .
O2W H2WB N4 0.85 1.97 2.752(4) 153.3 1_455
O2W H2WB N4' 0.85 1.97 2.752(4) 153.3 1_455
O3W H3WA N2 0.85 2.16 2.958(4) 155.6 3_566
O3W H3WB N3 0.85 2.15 2.893(4) 145.7 2_545
O3W H3WB N3' 0.85 2.15 2.893(4) 145.7 2_545
O4W H4WA O9 0.85 2.02 2.683(4) 134.6 4_566
O4W H4WB N5 0.85 1.91 2.699(4) 153.9 4_466
O4W H4WB N5' 0.85 1.91 2.699(4) 153.9 4_466

_diffrn_measured_fraction_theta_max 0.981
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.981
_refine_diff_density_max         0.475
_refine_diff_density_min         -0.418
_refine_diff_density_rms         0.076
