# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2016

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 1041137'
_audit_update_record             
;
2014-12-25 deposited with the CCDC.
2016-02-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H34 Br Dy N13 O6.50'
_chemical_formula_weight         971.15

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   10.5922(6)
_cell_length_b                   12.3446(8)
_cell_length_c                   15.3053(9)
_cell_angle_alpha                107.3370(10)
_cell_angle_beta                 90.5590(10)
_cell_angle_gamma                90.5540(10)
_cell_volume                     1910.1(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2885
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      22.26

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             964
_exptl_absorpt_coefficient_mu    3.066
_exptl_absorpt_correction_type   multi_scan
_exptl_absorpt_correction_T_min  0.499
_exptl_absorpt_correction_T_max  0.525
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12191
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_av_sigmaI/netI    0.1151
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.73
_diffrn_reflns_theta_max         26.12
_reflns_number_total             7544
_reflns_number_gt                5026
_reflns_threshold_expression     >2sigma(I)

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

_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)+(0.0543P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7544
_refine_ls_number_parameters     504
_refine_ls_number_restraints     50
_refine_ls_R_factor_all          0.1017
_refine_ls_R_factor_gt           0.0604
_refine_ls_wR_factor_ref         0.1418
_refine_ls_wR_factor_gt          0.1185
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.025
_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
Br1 Br 0.70578(10) 0.06036(9) 0.79184(7) 0.0618(3) Uani 1 1 d . . .
C1 C 0.7096(8) 0.2525(8) 0.0680(6) 0.047(2) Uani 1 1 d . . .
H1 H 0.6940 0.2172 0.0061 0.056 Uiso 1 1 calc R . .
C2 C 0.7896(8) 0.1927(8) 0.1123(6) 0.043(2) Uani 1 1 d . . .
C3 C 0.8312(9) 0.0836(8) 0.0619(7) 0.054(3) Uani 1 1 d . . .
H3 H 0.8039 0.0511 0.0017 0.065 Uiso 1 1 calc R . .
C4 C 0.9117(9) 0.0264(8) 0.1019(7) 0.054(3) Uani 1 1 d . . .
H4 H 0.9354 -0.0470 0.0699 0.064 Uiso 1 1 calc R . .
C5 C 0.9587(8) 0.0764(8) 0.1899(7) 0.049(2) Uani 1 1 d . . .
H5 H 1.0166 0.0377 0.2151 0.059 Uiso 1 1 calc R . .
C6 C 0.9207(8) 0.1825(8) 0.2400(6) 0.045(2) Uani 1 1 d . . .
C7 C 0.8328(8) 0.2452(8) 0.2035(6) 0.040(2) Uani 1 1 d . . .
C8 C 1.0542(10) 0.1889(10) 0.3665(7) 0.071(3) Uani 1 1 d . . .
H8A H 1.0177 0.1232 0.3783 0.106 Uiso 1 1 calc R . .
H8B H 1.0840 0.2411 0.4230 0.106 Uiso 1 1 calc R . .
H8C H 1.1235 0.1663 0.3254 0.106 Uiso 1 1 calc R . .
C9 C 0.4291(9) 0.2529(8) 0.2211(6) 0.048(2) Uani 1 1 d . . .
H9 H 0.4120 0.1792 0.2220 0.058 Uiso 1 1 calc R . .
C10 C 0.3312(8) 0.3054(8) 0.1826(6) 0.038(2) Uani 1 1 d . . .
C11 C 0.2217(8) 0.2399(8) 0.1481(6) 0.051(3) Uani 1 1 d . . .
H11 H 0.2157 0.1648 0.1484 0.061 Uiso 1 1 calc R . .
C12 C 0.1253(9) 0.2881(10) 0.1146(8) 0.064(3) Uani 1 1 d . . .
H12 H 0.0523 0.2460 0.0924 0.077 Uiso 1 1 calc R . .
C13 C 0.1349(9) 0.4010(10) 0.1130(7) 0.060(3) Uani 1 1 d . . .
H13 H 0.0689 0.4331 0.0892 0.072 Uiso 1 1 calc R . .
C14 C 0.2415(8) 0.4637(8) 0.1466(6) 0.046(2) Uani 1 1 d . . .
C15 C 0.3446(8) 0.4180(7) 0.1812(5) 0.035(2) Uani 1 1 d . . .
C16 C 0.1628(10) 0.6301(10) 0.1158(9) 0.092(4) Uani 1 1 d . . .
H16A H 0.1512 0.5942 0.0513 0.139 Uiso 1 1 calc R . .
H16B H 0.1865 0.7083 0.1262 0.139 Uiso 1 1 calc R . .
H16C H 0.0854 0.6258 0.1468 0.139 Uiso 1 1 calc R . .
C17 C 0.6826(8) 0.3605(7) 0.4337(6) 0.041(2) Uani 1 1 d . . .
H17 H 0.6785 0.2928 0.3863 0.049 Uiso 1 1 calc R . .
C18 C 0.7163(8) 0.3566(8) 0.5194(6) 0.042(2) Uani 1 1 d . . .
H18 H 0.7342 0.2881 0.5301 0.050 Uiso 1 1 calc R . .
C19 C 0.7227(8) 0.4574(8) 0.5890(7) 0.048(2) Uani 1 1 d . . .
H19 H 0.7455 0.4575 0.6479 0.058 Uiso 1 1 calc R . .
C20 C 0.6958(8) 0.5572(8) 0.5720(6) 0.045(2) Uani 1 1 d . . .
H20 H 0.7014 0.6260 0.6181 0.053 Uiso 1 1 calc R . .
C21 C 0.6595(7) 0.5526(7) 0.4829(6) 0.036(2) Uani 1 1 d . . .
C22 C 0.6215(7) 0.6588(7) 0.4620(6) 0.0322(19) Uani 1 1 d . . .
C23 C 0.5902(8) 0.8444(7) 0.5070(6) 0.041(2) Uani 1 1 d . . .
C24 C 0.5167(7) 0.7402(7) 0.3699(5) 0.0297(18) Uani 1 1 d . . .
C25 C 0.5878(9) 0.5997(8) 0.0964(6) 0.050(2) Uani 1 1 d . . .
H25 H 0.5269 0.5422 0.0798 0.060 Uiso 1 1 calc R . .
C26 C 0.5881(9) 0.6793(9) 0.0502(7) 0.054(3) Uani 1 1 d . . .
H26 H 0.5283 0.6765 0.0046 0.065 Uiso 1 1 calc R . .
C27 C 0.6797(11) 0.7636(10) 0.0733(8) 0.073(3) Uani 1 1 d . . .
H27 H 0.6844 0.8185 0.0429 0.087 Uiso 1 1 calc R . .
C28 C 0.7640(10) 0.7643(9) 0.1424(7) 0.065(3) Uani 1 1 d . . .
H28 H 0.8262 0.8206 0.1598 0.079 Uiso 1 1 calc R . .
C29 C 0.7562(8) 0.6816(8) 0.1859(6) 0.042(2) Uani 1 1 d . . .
C30 C 0.8462(8) 0.6819(8) 0.2615(6) 0.042(2) Uani 1 1 d . . .
C31 C 1.0002(10) 0.7682(10) 0.3578(8) 0.070(3) Uani 1 1 d U . .
C32 C 0.9314(8) 0.5955(8) 0.3571(6) 0.038(2) Uani 1 1 d . . .
C33 C 0.2301(11) 0.9286(10) 0.5685(8) 0.076(3) Uani 1 1 d D . .
C34 C 0.2953(12) 0.9562(11) 0.6493(8) 0.087(4) Uani 1 1 d DU . .
Dy1 Dy 0.64220(4) 0.46305(3) 0.25449(3) 0.03342(14) Uani 1 1 d . . .
N1 N 0.6691(6) 0.5991(6) 0.1637(5) 0.0385(17) Uani 1 1 d . . .
N2 N 0.8411(6) 0.5929(6) 0.2945(5) 0.0374(17) Uani 1 1 d . . .
N3 N 0.9470(7) 0.5051(7) 0.3861(5) 0.054(2) Uani 1 1 d . . .
H3A H 0.8995 0.4460 0.3647 0.064 Uiso 1 1 calc R . .
H3B H 1.0046 0.5056 0.4262 0.064 Uiso 1 1 calc R . .
N4 N 1.0111(7) 0.6843(7) 0.3934(6) 0.061(2) Uani 1 1 d . . .
N5 N 1.0739(10) 0.8607(9) 0.3926(8) 0.117(4) Uani 1 1 d U . .
H5A H 1.1259 0.8634 0.4367 0.140 Uiso 1 1 calc R . .
H5B H 1.0691 0.9171 0.3707 0.140 Uiso 1 1 calc R . .
N6 N 0.9214(9) 0.7724(8) 0.2896(7) 0.083(3) Uani 1 1 d . . .
N7 N 0.6555(6) 0.4562(6) 0.4150(4) 0.0335(16) Uani 1 1 d . . .
N8 N 0.5731(6) 0.6429(6) 0.3783(4) 0.0345(16) Uani 1 1 d U . .
N9 N 0.4503(6) 0.7299(6) 0.2936(5) 0.0438(18) Uani 1 1 d U . .
H9A H 0.4157 0.7885 0.2847 0.053 Uiso 1 1 calc R . .
H9B H 0.4420 0.6647 0.2532 0.053 Uiso 1 1 calc R . .
N10 N 0.5278(7) 0.8427(6) 0.4311(5) 0.0418(18) Uani 1 1 d U . .
N11 N 0.6098(7) 0.9436(6) 0.5682(5) 0.057(2) Uani 1 1 d . . .
H11A H 0.5825 1.0042 0.5581 0.069 Uiso 1 1 calc R . .
H11B H 0.6500 0.9479 0.6182 0.069 Uiso 1 1 calc R . .
N12 N 0.6348(6) 0.7531(6) 0.5278(5) 0.0388(17) Uani 1 1 d . . .
N13 N 0.3609(11) 0.9746(12) 0.7215(8) 0.122(4) Uani 1 1 d DU . .
O1 O 0.6579(6) 0.3447(5) 0.1005(4) 0.0501(16) Uani 1 1 d . . .
O2 O 0.8006(5) 0.3461(5) 0.2513(4) 0.0408(14) Uani 1 1 d . . .
O3 O 0.9622(6) 0.2418(5) 0.3267(4) 0.0547(17) Uani 1 1 d . . .
O4 O 0.5317(5) 0.2924(5) 0.2526(4) 0.0465(16) Uani 1 1 d . . .
O5 O 0.4448(5) 0.4808(5) 0.2120(4) 0.0384(14) Uani 1 1 d . . .
O6 O 0.2575(6) 0.5752(6) 0.1491(5) 0.0586(18) Uani 1 1 d . . .
O7 O 0.5000 0.0000 0.0000 0.214(9) Uani 1 2 d SU . .


_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
C1 O1 1.235(10) . ?
C1 C2 1.421(12) . ?
C1 H1 0.9300 . ?
C2 C3 1.414(12) . ?
C2 C7 1.422(12) . ?
C3 C4 1.365(13) . ?
C3 H3 0.9300 . ?
C4 C5 1.388(13) . ?
C4 H4 0.9300 . ?
C5 C6 1.372(12) . ?
C5 H5 0.9300 . ?
C6 O3 1.376(10) . ?
C6 C7 1.428(12) . ?
C7 O2 1.293(10) . ?
C8 O3 1.409(10) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 O4 1.221(10) . ?
C9 C10 1.438(12) . ?
C9 H9 0.9300 . ?
C10 C15 1.403(11) . ?
C10 C11 1.411(11) . ?
C11 C12 1.359(13) . ?
C11 H11 0.9300 . ?
C12 C13 1.403(13) . ?
C12 H12 0.9300 . ?
C13 C14 1.368(12) . ?
C13 H13 0.9300 . ?
C14 O6 1.374(10) . ?
C14 C15 1.404(11) . ?
C15 O5 1.306(9) . ?
C16 O6 1.391(11) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 N7 1.328(9) . ?
C17 C18 1.370(11) . ?
C17 H17 0.9300 . ?
C18 C19 1.377(12) . ?
C18 H18 0.9300 . ?
C19 C20 1.365(12) . ?
C19 H19 0.9300 . ?
C20 C21 1.398(11) . ?
C20 H20 0.9300 . ?
C21 N7 1.327(10) . ?
C21 C22 1.496(11) . ?
C22 N12 1.298(10) . ?
C22 N8 1.334(10) . ?
C23 N11 1.315(10) . ?
C23 N10 1.326(10) . ?
C23 N12 1.347(10) . ?
C24 N9 1.330(9) . ?
C24 N10 1.335(10) . ?
C24 N8 1.386(10) . ?
C25 N1 1.338(10) . ?
C25 C26 1.371(12) . ?
C25 H25 0.9300 . ?
C26 C27 1.381(14) . ?
C26 H26 0.9300 . ?
C27 C28 1.376(14) . ?
C27 H27 0.9300 . ?
C28 C29 1.378(12) . ?
C28 H28 0.9300 . ?
C29 N1 1.332(10) . ?
C29 C30 1.490(11) . ?
C30 N6 1.325(11) . ?
C30 N2 1.341(10) . ?
C31 N4 1.313(12) . ?
C31 N6 1.344(12) . ?
C31 N5 1.345(13) . ?
C32 N3 1.329(10) . ?
C32 N2 1.340(10) . ?
C32 N4 1.354(11) . ?
C33 C34 1.360(9) . ?
C34 N13 1.260(9) . ?
Dy1 O2 2.216(5) . ?
Dy1 O5 2.216(5) . ?
Dy1 O1 2.383(6) . ?
Dy1 O4 2.393(6) . ?
Dy1 N7 2.486(6) . ?
Dy1 N1 2.494(6) . ?
Dy1 N8 2.570(7) . ?
Dy1 N2 2.590(7) . ?
N3 H3A 0.8600 . ?
N3 H3B 0.8600 . ?
N5 H5A 0.8600 . ?
N5 H5B 0.8600 . ?
N9 H9A 0.8600 . ?
N9 H9B 0.8600 . ?
N11 H11A 0.8600 . ?
N11 H11B 0.8600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 C2 128.9(9) . . ?
O1 C1 H1 115.5 . . ?
C2 C1 H1 115.5 . . ?
C3 C2 C1 118.7(9) . . ?
C3 C2 C7 121.1(9) . . ?
C1 C2 C7 120.1(8) . . ?
C4 C3 C2 119.7(9) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 120.7(9) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C6 C5 C4 120.7(9) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C5 C6 O3 126.2(9) . . ?
C5 C6 C7 121.4(9) . . ?
O3 C6 C7 112.4(8) . . ?
O2 C7 C2 123.4(8) . . ?
O2 C7 C6 120.2(8) . . ?
C2 C7 C6 116.3(9) . . ?
O3 C8 H8A 109.5 . . ?
O3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
O3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O4 C9 C10 128.5(8) . . ?
O4 C9 H9 115.8 . . ?
C10 C9 H9 115.8 . . ?
C15 C10 C11 121.9(8) . . ?
C15 C10 C9 120.7(8) . . ?
C11 C10 C9 117.5(8) . . ?
C12 C11 C10 119.1(9) . . ?
C12 C11 H11 120.4 . . ?
C10 C11 H11 120.4 . . ?
C11 C12 C13 120.5(9) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C14 C13 C12 119.9(9) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 O6 123.6(8) . . ?
C13 C14 C15 122.0(9) . . ?
O6 C14 C15 114.4(8) . . ?
O5 C15 C10 123.5(7) . . ?
O5 C15 C14 119.9(8) . . ?
C10 C15 C14 116.5(8) . . ?
O6 C16 H16A 109.5 . . ?
O6 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O6 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N7 C17 C18 123.3(8) . . ?
N7 C17 H17 118.3 . . ?
C18 C17 H17 118.3 . . ?
C17 C18 C19 117.9(8) . . ?
C17 C18 H18 121.1 . . ?
C19 C18 H18 121.1 . . ?
C20 C19 C18 120.2(8) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C21 117.9(9) . . ?
C19 C20 H20 121.1 . . ?
C21 C20 H20 121.1 . . ?
N7 C21 C20 122.2(8) . . ?
N7 C21 C22 117.9(7) . . ?
C20 C21 C22 119.9(8) . . ?
N12 C22 N8 128.4(8) . . ?
N12 C22 C21 116.7(7) . . ?
N8 C22 C21 114.8(7) . . ?
N11 C23 N10 117.5(8) . . ?
N11 C23 N12 116.6(8) . . ?
N10 C23 N12 125.9(8) . . ?
N9 C24 N10 118.4(7) . . ?
N9 C24 N8 116.8(7) . . ?
N10 C24 N8 124.8(7) . . ?
N1 C25 C26 124.5(9) . . ?
N1 C25 H25 117.7 . . ?
C26 C25 H25 117.7 . . ?
C25 C26 C27 118.0(9) . . ?
C25 C26 H26 121.0 . . ?
C27 C26 H26 121.0 . . ?
C28 C27 C26 118.3(9) . . ?
C28 C27 H27 120.9 . . ?
C26 C27 H27 120.9 . . ?
C27 C28 C29 119.9(10) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
N1 C29 C28 122.5(8) . . ?
N1 C29 C30 117.0(7) . . ?
C28 C29 C30 120.5(8) . . ?
N6 C30 N2 127.2(8) . . ?
N6 C30 C29 115.6(8) . . ?
N2 C30 C29 117.2(7) . . ?
N4 C31 N6 126.7(10) . . ?
N4 C31 N5 117.7(10) . . ?
N6 C31 N5 115.6(10) . . ?
N3 C32 N2 119.1(8) . . ?
N3 C32 N4 116.2(8) . . ?
N2 C32 N4 124.7(8) . . ?
N13 C34 C33 175.4(16) . . ?
O2 Dy1 O5 146.5(2) . . ?
O2 Dy1 O1 73.1(2) . . ?
O5 Dy1 O1 82.8(2) . . ?
O2 Dy1 O4 78.5(2) . . ?
O5 Dy1 O4 73.01(19) . . ?
O1 Dy1 O4 75.6(2) . . ?
O2 Dy1 N7 76.8(2) . . ?
O5 Dy1 N7 111.7(2) . . ?
O1 Dy1 N7 141.4(2) . . ?
O4 Dy1 N7 75.2(2) . . ?
O2 Dy1 N1 116.4(2) . . ?
O5 Dy1 N1 78.5(2) . . ?
O1 Dy1 N1 75.8(2) . . ?
O4 Dy1 N1 141.6(2) . . ?
N7 Dy1 N1 140.5(2) . . ?
O2 Dy1 N8 131.3(2) . . ?
O5 Dy1 N8 78.1(2) . . ?
O1 Dy1 N8 153.5(2) . . ?
O4 Dy1 N8 115.4(2) . . ?
N7 Dy1 N8 64.0(2) . . ?
N1 Dy1 N8 82.4(2) . . ?
O2 Dy1 N2 75.1(2) . . ?
O5 Dy1 N2 136.0(2) . . ?
O1 Dy1 N2 108.6(2) . . ?
O4 Dy1 N2 150.5(2) . . ?
N7 Dy1 N2 85.9(2) . . ?
N1 Dy1 N2 64.5(2) . . ?
N8 Dy1 N2 74.3(2) . . ?
C29 N1 C25 116.8(7) . . ?
C29 N1 Dy1 121.7(5) . . ?
C25 N1 Dy1 121.1(6) . . ?
C32 N2 C30 113.4(7) . . ?
C32 N2 Dy1 128.3(5) . . ?
C30 N2 Dy1 117.3(5) . . ?
C32 N3 H3A 120.0 . . ?
C32 N3 H3B 120.0 . . ?
H3A N3 H3B 120.0 . . ?
C31 N4 C32 114.5(8) . . ?
C31 N5 H5A 120.0 . . ?
C31 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C30 N6 C31 113.0(8) . . ?
C21 N7 C17 118.4(7) . . ?
C21 N7 Dy1 119.2(5) . . ?
C17 N7 Dy1 121.2(6) . . ?
C22 N8 C24 111.6(7) . . ?
C22 N8 Dy1 116.4(5) . . ?
C24 N8 Dy1 130.2(5) . . ?
C24 N9 H9A 120.0 . . ?
C24 N9 H9B 120.0 . . ?
H9A N9 H9B 120.0 . . ?
C23 N10 C24 114.4(7) . . ?
C23 N11 H11A 120.0 . . ?
C23 N11 H11B 120.0 . . ?
H11A N11 H11B 120.0 . . ?
C22 N12 C23 113.8(7) . . ?
C1 O1 Dy1 131.1(6) . . ?
C7 O2 Dy1 137.4(5) . . ?
C6 O3 C8 116.5(8) . . ?
C9 O4 Dy1 132.5(6) . . ?
C15 O5 Dy1 139.7(5) . . ?
C14 O6 C16 120.1(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C3 175.8(9) . . . . ?
O1 C1 C2 C7 -8.2(15) . . . . ?
C1 C2 C3 C4 177.6(8) . . . . ?
C7 C2 C3 C4 1.7(13) . . . . ?
C2 C3 C4 C5 -3.6(14) . . . . ?
C3 C4 C5 C6 3.0(14) . . . . ?
C4 C5 C6 O3 -178.5(8) . . . . ?
C4 C5 C6 C7 -0.6(14) . . . . ?
C3 C2 C7 O2 177.8(8) . . . . ?
C1 C2 C7 O2 1.9(13) . . . . ?
C3 C2 C7 C6 0.7(12) . . . . ?
C1 C2 C7 C6 -175.2(8) . . . . ?
C5 C6 C7 O2 -178.4(8) . . . . ?
O3 C6 C7 O2 -0.2(11) . . . . ?
C5 C6 C7 C2 -1.2(12) . . . . ?
O3 C6 C7 C2 177.0(7) . . . . ?
O4 C9 C10 C15 -2.7(15) . . . . ?
O4 C9 C10 C11 178.3(9) . . . . ?
C15 C10 C11 C12 -1.6(14) . . . . ?
C9 C10 C11 C12 177.4(9) . . . . ?
C10 C11 C12 C13 0.8(16) . . . . ?
C11 C12 C13 C14 -0.8(17) . . . . ?
C12 C13 C14 O6 -178.8(9) . . . . ?
C12 C13 C14 C15 1.5(16) . . . . ?
C11 C10 C15 O5 -179.6(8) . . . . ?
C9 C10 C15 O5 1.4(13) . . . . ?
C11 C10 C15 C14 2.1(13) . . . . ?
C9 C10 C15 C14 -176.9(8) . . . . ?
C13 C14 C15 O5 179.6(9) . . . . ?
O6 C14 C15 O5 -0.2(12) . . . . ?
C13 C14 C15 C10 -2.1(14) . . . . ?
O6 C14 C15 C10 178.2(8) . . . . ?
N7 C17 C18 C19 -0.3(13) . . . . ?
C17 C18 C19 C20 0.1(13) . . . . ?
C18 C19 C20 C21 1.3(13) . . . . ?
C19 C20 C21 N7 -2.7(13) . . . . ?
C19 C20 C21 C22 176.3(7) . . . . ?
N7 C21 C22 N12 -175.2(7) . . . . ?
C20 C21 C22 N12 5.8(11) . . . . ?
N7 C21 C22 N8 7.3(10) . . . . ?
C20 C21 C22 N8 -171.7(7) . . . . ?
N1 C25 C26 C27 1.2(16) . . . . ?
C25 C26 C27 C28 -1.2(17) . . . . ?
C26 C27 C28 C29 0.6(18) . . . . ?
C27 C28 C29 N1 0.0(17) . . . . ?
C27 C28 C29 C30 -179.5(10) . . . . ?
N1 C29 C30 N6 -172.0(9) . . . . ?
C28 C29 C30 N6 7.6(14) . . . . ?
N1 C29 C30 N2 6.8(12) . . . . ?
C28 C29 C30 N2 -173.6(9) . . . . ?
C28 C29 N1 C25 -0.1(14) . . . . ?
C30 C29 N1 C25 179.5(8) . . . . ?
C28 C29 N1 Dy1 -173.2(7) . . . . ?
C30 C29 N1 Dy1 6.3(11) . . . . ?
C26 C25 N1 C29 -0.6(14) . . . . ?
C26 C25 N1 Dy1 172.6(7) . . . . ?
O2 Dy1 N1 C29 -66.4(7) . . . . ?
O5 Dy1 N1 C29 145.6(7) . . . . ?
O1 Dy1 N1 C29 -129.0(7) . . . . ?
O4 Dy1 N1 C29 -171.9(6) . . . . ?
N7 Dy1 N1 C29 35.2(8) . . . . ?
N8 Dy1 N1 C29 66.2(7) . . . . ?
N2 Dy1 N1 C29 -10.0(6) . . . . ?
O2 Dy1 N1 C25 120.8(7) . . . . ?
O5 Dy1 N1 C25 -27.3(7) . . . . ?
O1 Dy1 N1 C25 58.1(7) . . . . ?
O4 Dy1 N1 C25 15.2(9) . . . . ?
N7 Dy1 N1 C25 -137.6(6) . . . . ?
N8 Dy1 N1 C25 -106.6(7) . . . . ?
N2 Dy1 N1 C25 177.1(8) . . . . ?
N3 C32 N2 C30 -171.2(8) . . . . ?
N4 C32 N2 C30 8.0(13) . . . . ?
N3 C32 N2 Dy1 21.1(11) . . . . ?
N4 C32 N2 Dy1 -159.7(7) . . . . ?
N6 C30 N2 C32 -6.2(15) . . . . ?
C29 C30 N2 C32 175.1(8) . . . . ?
N6 C30 N2 Dy1 162.9(9) . . . . ?
C29 C30 N2 Dy1 -15.8(10) . . . . ?
O2 Dy1 N2 C32 -49.9(7) . . . . ?
O5 Dy1 N2 C32 144.9(6) . . . . ?
O1 Dy1 N2 C32 -116.0(7) . . . . ?
O4 Dy1 N2 C32 -22.4(10) . . . . ?
N7 Dy1 N2 C32 27.5(7) . . . . ?
N1 Dy1 N2 C32 -179.4(8) . . . . ?
N8 Dy1 N2 C32 91.6(7) . . . . ?
O2 Dy1 N2 C30 142.8(7) . . . . ?
O5 Dy1 N2 C30 -22.4(8) . . . . ?
O1 Dy1 N2 C30 76.8(6) . . . . ?
O4 Dy1 N2 C30 170.3(6) . . . . ?
N7 Dy1 N2 C30 -139.8(6) . . . . ?
N1 Dy1 N2 C30 13.3(6) . . . . ?
N8 Dy1 N2 C30 -75.6(6) . . . . ?
N6 C31 N4 C32 -1.4(18) . . . . ?
N5 C31 N4 C32 178.0(11) . . . . ?
N3 C32 N4 C31 174.5(9) . . . . ?
N2 C32 N4 C31 -4.7(15) . . . . ?
N2 C30 N6 C31 1.1(17) . . . . ?
C29 C30 N6 C31 179.9(10) . . . . ?
N4 C31 N6 C30 3(2) . . . . ?
N5 C31 N6 C30 -176.4(12) . . . . ?
C20 C21 N7 C17 2.5(12) . . . . ?
C22 C21 N7 C17 -176.5(7) . . . . ?
C20 C21 N7 Dy1 -164.9(6) . . . . ?
C22 C21 N7 Dy1 16.1(9) . . . . ?
C18 C17 N7 C21 -1.0(12) . . . . ?
C18 C17 N7 Dy1 166.2(6) . . . . ?
O2 Dy1 N7 C21 129.7(6) . . . . ?
O5 Dy1 N7 C21 -84.4(6) . . . . ?
O1 Dy1 N7 C21 169.1(5) . . . . ?
O4 Dy1 N7 C21 -148.9(6) . . . . ?
N1 Dy1 N7 C21 14.1(7) . . . . ?
N8 Dy1 N7 C21 -20.5(5) . . . . ?
N2 Dy1 N7 C21 54.1(6) . . . . ?
O2 Dy1 N7 C17 -37.3(6) . . . . ?
O5 Dy1 N7 C17 108.6(6) . . . . ?
O1 Dy1 N7 C17 2.1(8) . . . . ?
O4 Dy1 N7 C17 44.1(6) . . . . ?
N1 Dy1 N7 C17 -153.0(5) . . . . ?
N8 Dy1 N7 C17 172.5(6) . . . . ?
N2 Dy1 N7 C17 -113.0(6) . . . . ?
N12 C22 N8 C24 -9.4(11) . . . . ?
C21 C22 N8 C24 167.7(6) . . . . ?
N12 C22 N8 Dy1 157.0(7) . . . . ?
C21 C22 N8 Dy1 -25.9(8) . . . . ?
N9 C24 N8 C22 -171.0(7) . . . . ?
N10 C24 N8 C22 11.1(11) . . . . ?
N9 C24 N8 Dy1 25.1(10) . . . . ?
N10 C24 N8 Dy1 -152.8(6) . . . . ?
O2 Dy1 N8 C22 -15.8(6) . . . . ?
O5 Dy1 N8 C22 145.8(6) . . . . ?
O1 Dy1 N8 C22 -169.2(5) . . . . ?
O4 Dy1 N8 C22 81.3(6) . . . . ?
N7 Dy1 N8 C22 24.3(5) . . . . ?
N1 Dy1 N8 C22 -134.4(6) . . . . ?
N2 Dy1 N8 C22 -68.8(5) . . . . ?
O2 Dy1 N8 C24 147.5(6) . . . . ?
O5 Dy1 N8 C24 -50.9(6) . . . . ?
O1 Dy1 N8 C24 -5.9(9) . . . . ?
O4 Dy1 N8 C24 -115.4(6) . . . . ?
N7 Dy1 N8 C24 -172.4(7) . . . . ?
N1 Dy1 N8 C24 28.9(6) . . . . ?
N2 Dy1 N8 C24 94.4(6) . . . . ?
N11 C23 N10 C24 176.7(8) . . . . ?
N12 C23 N10 C24 -3.9(12) . . . . ?
N9 C24 N10 C23 176.8(7) . . . . ?
N8 C24 N10 C23 -5.3(11) . . . . ?
N8 C22 N12 C23 1.8(12) . . . . ?
C21 C22 N12 C23 -175.3(7) . . . . ?
N11 C23 N12 C22 -174.8(8) . . . . ?
N10 C23 N12 C22 5.7(12) . . . . ?
C2 C1 O1 Dy1 -7.9(15) . . . . ?
O2 Dy1 O1 C1 18.6(8) . . . . ?
O5 Dy1 O1 C1 -137.8(8) . . . . ?
O4 Dy1 O1 C1 -63.5(8) . . . . ?
N7 Dy1 O1 C1 -21.6(10) . . . . ?
N1 Dy1 O1 C1 142.3(8) . . . . ?
N8 Dy1 O1 C1 178.0(7) . . . . ?
N2 Dy1 O1 C1 86.0(8) . . . . ?
C2 C7 O2 Dy1 24.1(13) . . . . ?
C6 C7 O2 Dy1 -158.9(6) . . . . ?
O5 Dy1 O2 C7 18.3(10) . . . . ?
O1 Dy1 O2 C7 -27.8(8) . . . . ?
O4 Dy1 O2 C7 50.5(8) . . . . ?
N7 Dy1 O2 C7 127.8(8) . . . . ?
N1 Dy1 O2 C7 -92.0(8) . . . . ?
N8 Dy1 O2 C7 164.3(7) . . . . ?
N2 Dy1 O2 C7 -142.9(8) . . . . ?
C5 C6 O3 C8 1.2(13) . . . . ?
C7 C6 O3 C8 -176.9(8) . . . . ?
C10 C9 O4 Dy1 -8.5(15) . . . . ?
O2 Dy1 O4 C9 -148.8(9) . . . . ?
O5 Dy1 O4 C9 13.2(8) . . . . ?
O1 Dy1 O4 C9 -73.5(8) . . . . ?
N7 Dy1 O4 C9 132.0(9) . . . . ?
N1 Dy1 O4 C9 -30.6(10) . . . . ?
N8 Dy1 O4 C9 80.7(9) . . . . ?
N2 Dy1 O4 C9 -175.9(7) . . . . ?
C10 C15 O5 Dy1 13.5(13) . . . . ?
C14 C15 O5 Dy1 -168.3(6) . . . . ?
O2 Dy1 O5 C15 16.6(10) . . . . ?
O1 Dy1 O5 C15 60.5(8) . . . . ?
O4 Dy1 O5 C15 -16.5(8) . . . . ?
N7 Dy1 O5 C15 -82.4(8) . . . . ?
N1 Dy1 O5 C15 137.5(8) . . . . ?
N8 Dy1 O5 C15 -138.0(8) . . . . ?
N2 Dy1 O5 C15 170.0(7) . . . . ?
C13 C14 O6 C16 -0.5(15) . . . . ?
C15 C14 O6 C16 179.2(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        26.12
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.329
_refine_diff_density_min         -1.384
_refine_diff_density_rms         0.159
####################################################################### 
# 
# 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 1041138'
_audit_update_record             
;
2014-12-25 deposited with the CCDC.
2016-02-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H30 Dy N13 O9'
_chemical_formula_weight         903.19

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

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   30.250(5)
_cell_length_b                   17.599(3)
_cell_length_c                   20.537(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 129.531(11)
_cell_angle_gamma                90.00
_cell_volume                     8433(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    7919
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      26.05

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.423
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3608
_exptl_absorpt_coefficient_mu    1.834
_exptl_absorpt_correction_type   multi_scan
_exptl_absorpt_correction_T_min  0.662
_exptl_absorpt_correction_T_max  0.680
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26368
_diffrn_reflns_av_R_equivalents  0.0553
_diffrn_reflns_av_sigmaI/netI    0.0603
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.75
_diffrn_reflns_theta_max         26.19
_reflns_number_total             8396
_reflns_number_gt                5558
_reflns_threshold_expression     >2sigma(I)

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

_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)+(0.1004P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8396
_refine_ls_number_parameters     494
_refine_ls_number_restraints     84
_refine_ls_R_factor_all          0.0769
_refine_ls_R_factor_gt           0.0511
_refine_ls_wR_factor_ref         0.1661
_refine_ls_wR_factor_gt          0.1530
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_restrained_S_all      1.015
_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
C1 C 0.1598(3) 0.2179(5) 0.2248(5) 0.069(2) Uani 1 1 d . . .
H1 H 0.1230 0.2379 0.1875 0.083 Uiso 1 1 calc R . .
C2 C 0.2005(3) 0.2465(4) 0.2181(4) 0.0639(18) Uani 1 1 d . . .
C3 C 0.1811(4) 0.3002(5) 0.1541(5) 0.087(3) Uani 1 1 d . . .
H3 H 0.1426 0.3138 0.1161 0.104 Uiso 1 1 calc R . .
C4 C 0.2204(5) 0.3324(5) 0.1489(6) 0.092(3) Uani 1 1 d . . .
H4 H 0.2079 0.3669 0.1060 0.111 Uiso 1 1 calc R . .
C5 C 0.2776(4) 0.3142(4) 0.2061(5) 0.082(2) Uani 1 1 d . . .
H5 H 0.3033 0.3373 0.2020 0.099 Uiso 1 1 calc R . .
C6 C 0.2968(3) 0.2632(4) 0.2681(4) 0.0629(18) Uani 1 1 d . . .
C7 C 0.2594(3) 0.2257(4) 0.2771(4) 0.0532(16) Uani 1 1 d . . .
C8 C 0.3952(4) 0.2857(7) 0.3338(7) 0.125(4) Uani 1 1 d U . .
H8A H 0.3897 0.2782 0.2828 0.187 Uiso 1 1 calc R . .
H8B H 0.4330 0.2691 0.3812 0.187 Uiso 1 1 calc R . .
H8C H 0.3910 0.3387 0.3400 0.187 Uiso 1 1 calc R . .
C9 C 0.1443(3) -0.0367(5) 0.3261(5) 0.068(2) Uani 1 1 d . . .
H9 H 0.1061 -0.0517 0.2877 0.082 Uiso 1 1 calc R . .
C10 C 0.1804(3) -0.0803(4) 0.4028(5) 0.0625(18) Uani 1 1 d . . .
C11 C 0.1538(4) -0.1393(5) 0.4139(6) 0.093(3) Uani 1 1 d . . .
H11 H 0.1146 -0.1476 0.3734 0.112 Uiso 1 1 calc R . .
C12 C 0.1852(4) -0.1825(6) 0.4822(6) 0.098(3) Uani 1 1 d U . .
H12 H 0.1678 -0.2213 0.4895 0.117 Uiso 1 1 calc R . .
C13 C 0.2431(4) -0.1707(5) 0.5425(6) 0.087(2) Uani 1 1 d . . .
H13 H 0.2646 -0.2017 0.5900 0.104 Uiso 1 1 calc R . .
C14 C 0.2697(3) -0.1138(5) 0.5335(5) 0.0651(19) Uani 1 1 d . . .
C15 C 0.2398(3) -0.0663(4) 0.4639(4) 0.0510(15) Uani 1 1 d . . .
C16 C 0.3610(4) -0.1397(5) 0.6673(5) 0.098(3) Uani 1 1 d U . .
H16A H 0.3449 -0.1358 0.6951 0.147 Uiso 1 1 calc R . .
H16B H 0.3995 -0.1206 0.7039 0.147 Uiso 1 1 calc R . .
H16C H 0.3612 -0.1919 0.6541 0.147 Uiso 1 1 calc R . .
C17 C 0.1609(3) 0.0411(5) 0.1603(4) 0.074(2) Uani 1 1 d . . .
H17 H 0.1316 0.0501 0.1627 0.089 Uiso 1 1 calc R . .
C18 C 0.1466(4) 0.0305(5) 0.0832(4) 0.085(3) Uani 1 1 d . . .
H18 H 0.1085 0.0315 0.0342 0.102 Uiso 1 1 calc R . .
C19 C 0.1897(3) 0.0182(5) 0.0798(4) 0.078(2) Uani 1 1 d . . .
H19 H 0.1812 0.0115 0.0279 0.094 Uiso 1 1 calc R . .
C20 C 0.2469(3) 0.0158(5) 0.1548(4) 0.069(2) Uani 1 1 d . . .
H20 H 0.2768 0.0077 0.1536 0.083 Uiso 1 1 calc R . .
C21 C 0.2573(3) 0.0257(4) 0.2293(4) 0.0546(16) Uani 1 1 d . . .
C22 C 0.3177(3) 0.0192(4) 0.3126(4) 0.0529(15) Uani 1 1 d . . .
C23 C 0.4101(3) 0.0029(5) 0.3823(4) 0.070(2) Uani 1 1 d . . .
C24 C 0.3757(2) -0.0015(4) 0.4527(4) 0.0495(15) Uani 1 1 d . . .
C25 C 0.1587(3) 0.1450(4) 0.4148(5) 0.0650(19) Uani 1 1 d . . .
H25 H 0.1316 0.1408 0.3564 0.078 Uiso 1 1 calc R . .
C26 C 0.1386(3) 0.1563(4) 0.4588(5) 0.070(2) Uani 1 1 d . . .
H26 H 0.0997 0.1577 0.4319 0.083 Uiso 1 1 calc R . .
C27 C 0.1792(3) 0.1653(5) 0.5434(5) 0.077(2) Uani 1 1 d . . .
H27 H 0.1681 0.1746 0.5757 0.092 Uiso 1 1 calc R . .
C28 C 0.2377(3) 0.1607(4) 0.5830(5) 0.069(2) Uani 1 1 d . . .
H28 H 0.2655 0.1660 0.6412 0.083 Uiso 1 1 calc R . .
C29 C 0.2527(3) 0.1483(4) 0.5337(4) 0.0504(15) Uani 1 1 d . . .
C30 C 0.3136(3) 0.1478(4) 0.5700(4) 0.0512(15) Uani 1 1 d . . .
C31 C 0.4064(3) 0.1555(4) 0.6828(4) 0.0654(19) Uani 1 1 d . . .
C32 C 0.3798(3) 0.1578(4) 0.5523(4) 0.0507(15) Uani 1 1 d . . .
Dy1 Dy 0.245297(11) 0.086774(17) 0.371930(16) 0.04539(11) Uani 1 1 d . . .
N1 N 0.2134(2) 0.1395(3) 0.4491(3) 0.0521(13) Uani 1 1 d . . .
N2 N 0.3245(2) 0.1449(3) 0.5159(3) 0.0462(12) Uani 1 1 d . . .
N3 N 0.3935(2) 0.1684(3) 0.5034(3) 0.0589(14) Uani 1 1 d . . .
H3A H 0.4285 0.1772 0.5255 0.071 Uiso 1 1 calc R . .
H3B H 0.3674 0.1664 0.4494 0.071 Uiso 1 1 calc R . .
N4 N 0.4227(2) 0.1617(3) 0.6357(3) 0.0586(14) Uani 1 1 d U . .
N5 N 0.4470(3) 0.1538(4) 0.7676(4) 0.090(2) Uani 1 1 d U . .
H5A H 0.4826 0.1568 0.7905 0.108 Uiso 1 1 calc R . .
H5B H 0.4372 0.1499 0.7986 0.108 Uiso 1 1 calc R . .
N6 N 0.3516(2) 0.1525(3) 0.6525(3) 0.0605(15) Uani 1 1 d U . .
N7 N 0.2157(2) 0.0391(3) 0.2339(3) 0.0571(15) Uani 1 1 d . . .
N8 N 0.32274(18) 0.0179(3) 0.3821(3) 0.0438(11) Uani 1 1 d . . .
N9 N 0.3833(2) -0.0165(3) 0.5225(3) 0.0579(14) Uani 1 1 d . . .
H9A H 0.3548 -0.0137 0.5224 0.070 Uiso 1 1 calc R . .
H9B H 0.4167 -0.0289 0.5680 0.070 Uiso 1 1 calc R . .
N10 N 0.4223(2) -0.0062(4) 0.4572(3) 0.0643(15) Uani 1 1 d . . .
N11 N 0.4554(3) 0.0036(5) 0.3836(4) 0.095(2) Uani 1 1 d U . .
H11A H 0.4500 0.0102 0.3376 0.114 Uiso 1 1 calc R . .
H11B H 0.4895 -0.0024 0.4306 0.114 Uiso 1 1 calc R . .
N12 N 0.3578(2) 0.0126(4) 0.3074(3) 0.0646(16) Uani 1 1 d . . .
N13 N -0.0047(13) 0.0930(11) 0.1807(12) 0.903(10) Uani 1 1 d DU . .
O1 O 0.16776(18) 0.1692(3) 0.2748(3) 0.0645(13) Uani 1 1 d . . .
O2 O 0.27977(17) 0.1783(2) 0.3382(3) 0.0539(11) Uani 1 1 d . . .
O3 O 0.3538(2) 0.2431(3) 0.3299(3) 0.0841(16) Uani 1 1 d U . .
O4 O 0.15829(18) 0.0181(3) 0.3058(3) 0.0651(13) Uani 1 1 d . . .
O5 O 0.26551(16) -0.0118(2) 0.4558(2) 0.0512(10) Uani 1 1 d . . .
O6 O 0.3276(2) -0.0964(3) 0.5918(3) 0.0764(16) Uani 1 1 d . . .
O7 O -0.0024(16) 0.1489(16) 0.141(2) 0.884(10) Uani 1 1 d DU . .
O8 O -0.0100(17) 0.0307(14) 0.142(2) 0.869(10) Uani 1 1 d DU . .
O9 O 0.0000 0.097(3) 0.2500 0.913(11) Uani 1 2 d SDU . .


_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
C1 O1 1.237(8) . ?
C1 C2 1.415(10) . ?
C1 H1 0.9300 . ?
C2 C3 1.408(10) . ?
C2 C7 1.424(9) . ?
C3 C4 1.380(13) . ?
C3 H3 0.9300 . ?
C4 C5 1.374(12) . ?
C4 H4 0.9300 . ?
C5 C6 1.350(10) . ?
C5 H5 0.9300 . ?
C6 O3 1.386(8) . ?
C6 C7 1.421(9) . ?
C7 O2 1.291(7) . ?
C8 O3 1.419(10) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 O4 1.228(9) . ?
C9 C10 1.440(10) . ?
C9 H9 0.9300 . ?
C10 C15 1.413(9) . ?
C10 C11 1.418(10) . ?
C11 C12 1.324(12) . ?
C11 H11 0.9300 . ?
C12 C13 1.373(12) . ?
C12 H12 0.9300 . ?
C13 C14 1.368(10) . ?
C13 H13 0.9300 . ?
C14 C15 1.384(10) . ?
C14 O6 1.386(9) . ?
C15 O5 1.310(7) . ?
C16 O6 1.419(9) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 N7 1.359(8) . ?
C17 C18 1.361(10) . ?
C17 H17 0.9300 . ?
C18 C19 1.369(11) . ?
C18 H18 0.9300 . ?
C19 C20 1.406(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.363(9) . ?
C20 H20 0.9300 . ?
C21 N7 1.341(8) . ?
C21 C22 1.516(8) . ?
C22 N12 1.289(7) . ?
C22 N8 1.334(7) . ?
C23 N12 1.343(8) . ?
C23 N10 1.345(8) . ?
C23 N11 1.351(8) . ?
C24 N9 1.327(7) . ?
C24 N8 1.352(7) . ?
C24 N10 1.356(7) . ?
C25 N1 1.326(8) . ?
C25 C26 1.388(10) . ?
C25 H25 0.9300 . ?
C26 C27 1.355(10) . ?
C26 H26 0.9300 . ?
C27 C28 1.402(10) . ?
C27 H27 0.9300 . ?
C28 C29 1.365(9) . ?
C28 H28 0.9300 . ?
C29 N1 1.351(8) . ?
C29 C30 1.482(9) . ?
C30 N6 1.312(8) . ?
C30 N2 1.346(8) . ?
C31 N4 1.339(9) . ?
C31 N5 1.348(8) . ?
C31 N6 1.350(9) . ?
C32 N3 1.322(8) . ?
C32 N4 1.340(8) . ?
C32 N2 1.348(7) . ?
Dy1 O5 2.238(4) . ?
Dy1 O2 2.254(4) . ?
Dy1 O1 2.373(5) . ?
Dy1 O4 2.383(5) . ?
Dy1 N1 2.500(5) . ?
Dy1 N7 2.513(5) . ?
Dy1 N8 2.526(5) . ?
Dy1 N2 2.551(5) . ?
N3 H3A 0.8600 . ?
N3 H3B 0.8600 . ?
N5 H5A 0.8600 . ?
N5 H5B 0.8600 . ?
N9 H9A 0.8600 . ?
N9 H9B 0.8600 . ?
N11 H11A 0.8600 . ?
N11 H11B 0.8600 . ?
N13 O7 1.302(10) . ?
N13 O8 1.303(10) . ?
N13 O9 1.339(9) . ?
O9 N13 1.339(9) 2 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 C2 127.3(6) . . ?
O1 C1 H1 116.3 . . ?
C2 C1 H1 116.3 . . ?
C3 C2 C1 117.3(7) . . ?
C3 C2 C7 121.3(8) . . ?
C1 C2 C7 121.3(6) . . ?
C4 C3 C2 118.7(8) . . ?
C4 C3 H3 120.7 . . ?
C2 C3 H3 120.7 . . ?
C5 C4 C3 121.0(8) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
C6 C5 C4 120.9(8) . . ?
C6 C5 H5 119.5 . . ?
C4 C5 H5 119.5 . . ?
C5 C6 O3 124.9(7) . . ?
C5 C6 C7 122.0(7) . . ?
O3 C6 C7 113.1(6) . . ?
O2 C7 C6 119.9(6) . . ?
O2 C7 C2 124.0(6) . . ?
C6 C7 C2 116.0(6) . . ?
O3 C8 H8A 109.5 . . ?
O3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
O3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O4 C9 C10 127.2(6) . . ?
O4 C9 H9 116.4 . . ?
C10 C9 H9 116.4 . . ?
C15 C10 C11 121.1(7) . . ?
C15 C10 C9 122.0(6) . . ?
C11 C10 C9 116.9(7) . . ?
C12 C11 C10 119.5(8) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C11 C12 C13 120.8(8) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C14 C13 C12 120.8(8) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
C13 C14 C15 121.9(7) . . ?
C13 C14 O6 124.9(7) . . ?
C15 C14 O6 113.2(6) . . ?
O5 C15 C14 121.6(6) . . ?
O5 C15 C10 122.5(6) . . ?
C14 C15 C10 116.0(6) . . ?
O6 C16 H16A 109.5 . . ?
O6 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O6 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N7 C17 C18 123.3(7) . . ?
N7 C17 H17 118.4 . . ?
C18 C17 H17 118.4 . . ?
C17 C18 C19 118.3(7) . . ?
C17 C18 H18 120.9 . . ?
C19 C18 H18 120.9 . . ?
C18 C19 C20 119.8(7) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C21 C20 C19 118.0(7) . . ?
C21 C20 H20 121.0 . . ?
C19 C20 H20 121.0 . . ?
N7 C21 C20 123.1(6) . . ?
N7 C21 C22 116.3(5) . . ?
C20 C21 C22 120.6(6) . . ?
N12 C22 N8 127.9(6) . . ?
N12 C22 C21 115.7(6) . . ?
N8 C22 C21 116.4(5) . . ?
N12 C23 N10 126.2(6) . . ?
N12 C23 N11 117.6(6) . . ?
N10 C23 N11 116.2(6) . . ?
N9 C24 N8 118.8(5) . . ?
N9 C24 N10 117.2(5) . . ?
N8 C24 N10 124.0(6) . . ?
N1 C25 C26 125.5(7) . . ?
N1 C25 H25 117.3 . . ?
C26 C25 H25 117.3 . . ?
C27 C26 C25 115.9(7) . . ?
C27 C26 H26 122.1 . . ?
C25 C26 H26 122.1 . . ?
C26 C27 C28 121.1(7) . . ?
C26 C27 H27 119.4 . . ?
C28 C27 H27 119.4 . . ?
C29 C28 C27 118.1(7) . . ?
C29 C28 H28 120.9 . . ?
C27 C28 H28 120.9 . . ?
N1 C29 C28 122.4(6) . . ?
N1 C29 C30 116.2(6) . . ?
C28 C29 C30 121.3(6) . . ?
N6 C30 N2 126.5(6) . . ?
N6 C30 C29 116.0(6) . . ?
N2 C30 C29 117.6(5) . . ?
N4 C31 N5 118.9(7) . . ?
N4 C31 N6 125.3(6) . . ?
N5 C31 N6 115.8(7) . . ?
N3 C32 N4 116.6(6) . . ?
N3 C32 N2 118.7(5) . . ?
N4 C32 N2 124.6(6) . . ?
O5 Dy1 O2 146.84(14) . . ?
O5 Dy1 O1 139.53(15) . . ?
O2 Dy1 O1 73.00(16) . . ?
O5 Dy1 O4 72.98(15) . . ?
O2 Dy1 O4 138.25(15) . . ?
O1 Dy1 O4 71.87(17) . . ?
O5 Dy1 N1 80.02(16) . . ?
O2 Dy1 N1 111.72(16) . . ?
O1 Dy1 N1 74.47(17) . . ?
O4 Dy1 N1 79.51(17) . . ?
O5 Dy1 N7 109.63(17) . . ?
O2 Dy1 N7 78.11(17) . . ?
O1 Dy1 N7 78.71(18) . . ?
O4 Dy1 N7 73.54(17) . . ?
N1 Dy1 N7 146.67(16) . . ?
O5 Dy1 N8 77.30(15) . . ?
O2 Dy1 N8 77.39(16) . . ?
O1 Dy1 N8 136.99(16) . . ?
O4 Dy1 N8 115.71(17) . . ?
N1 Dy1 N8 146.91(15) . . ?
N7 Dy1 N8 65.04(16) . . ?
O5 Dy1 N2 79.86(15) . . ?
O2 Dy1 N2 78.06(15) . . ?
O1 Dy1 N2 115.19(16) . . ?
O4 Dy1 N2 138.18(16) . . ?
N1 Dy1 N2 64.71(16) . . ?
N7 Dy1 N2 147.02(16) . . ?
N8 Dy1 N2 87.68(15) . . ?
C25 N1 C29 117.0(6) . . ?
C25 N1 Dy1 123.0(4) . . ?
C29 N1 Dy1 118.6(4) . . ?
C30 N2 C32 113.9(5) . . ?
C30 N2 Dy1 115.4(4) . . ?
C32 N2 Dy1 128.9(4) . . ?
C32 N3 H3A 120.0 . . ?
C32 N3 H3B 120.0 . . ?
H3A N3 H3B 120.0 . . ?
C31 N4 C32 114.7(6) . . ?
C31 N5 H5A 120.0 . . ?
C31 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C30 N6 C31 114.1(6) . . ?
C21 N7 C17 117.5(6) . . ?
C21 N7 Dy1 117.5(4) . . ?
C17 N7 Dy1 123.5(5) . . ?
C22 N8 C24 113.7(5) . . ?
C22 N8 Dy1 115.8(4) . . ?
C24 N8 Dy1 127.8(4) . . ?
C24 N9 H9A 120.0 . . ?
C24 N9 H9B 120.0 . . ?
H9A N9 H9B 120.0 . . ?
C23 N10 C24 113.5(5) . . ?
C23 N11 H11A 120.0 . . ?
C23 N11 H11B 120.0 . . ?
H11A N11 H11B 120.0 . . ?
C22 N12 C23 113.7(6) . . ?
O7 N13 O8 107.0(13) . . ?
O7 N13 O9 127.1(16) . . ?
O8 N13 O9 125.8(16) . . ?
C1 O1 Dy1 133.4(4) . . ?
C7 O2 Dy1 137.1(4) . . ?
C6 O3 C8 117.1(7) . . ?
C9 O4 Dy1 134.3(4) . . ?
C15 O5 Dy1 140.5(4) . . ?
C14 O6 C16 117.0(6) . . ?
N13 O9 N13 173(4) 2 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C3 177.8(8) . . . . ?
O1 C1 C2 C7 -6.2(12) . . . . ?
C1 C2 C3 C4 176.4(8) . . . . ?
C7 C2 C3 C4 0.5(12) . . . . ?
C2 C3 C4 C5 -1.7(13) . . . . ?
C3 C4 C5 C6 1.2(14) . . . . ?
C4 C5 C6 O3 -177.9(8) . . . . ?
C4 C5 C6 C7 0.4(12) . . . . ?
C5 C6 C7 O2 -178.9(7) . . . . ?
O3 C6 C7 O2 -0.3(9) . . . . ?
C5 C6 C7 C2 -1.5(10) . . . . ?
O3 C6 C7 C2 177.0(6) . . . . ?
C3 C2 C7 O2 178.3(7) . . . . ?
C1 C2 C7 O2 2.5(11) . . . . ?
C3 C2 C7 C6 1.0(10) . . . . ?
C1 C2 C7 C6 -174.7(7) . . . . ?
O4 C9 C10 C15 -4.0(12) . . . . ?
O4 C9 C10 C11 177.3(8) . . . . ?
C15 C10 C11 C12 -0.5(14) . . . . ?
C9 C10 C11 C12 178.3(9) . . . . ?
C10 C11 C12 C13 0.1(16) . . . . ?
C11 C12 C13 C14 0.2(16) . . . . ?
C12 C13 C14 C15 -0.3(14) . . . . ?
C12 C13 C14 O6 178.4(9) . . . . ?
C13 C14 C15 O5 179.7(7) . . . . ?
O6 C14 C15 O5 0.9(10) . . . . ?
C13 C14 C15 C10 -0.1(11) . . . . ?
O6 C14 C15 C10 -178.9(6) . . . . ?
C11 C10 C15 O5 -179.3(7) . . . . ?
C9 C10 C15 O5 1.9(11) . . . . ?
C11 C10 C15 C14 0.4(11) . . . . ?
C9 C10 C15 C14 -178.3(7) . . . . ?
N7 C17 C18 C19 -0.9(14) . . . . ?
C17 C18 C19 C20 0.8(14) . . . . ?
C18 C19 C20 C21 0.2(13) . . . . ?
C19 C20 C21 N7 -1.4(12) . . . . ?
C19 C20 C21 C22 176.4(7) . . . . ?
N7 C21 C22 N12 -174.6(6) . . . . ?
C20 C21 C22 N12 7.5(10) . . . . ?
N7 C21 C22 N8 8.1(9) . . . . ?
C20 C21 C22 N8 -169.9(7) . . . . ?
N1 C25 C26 C27 2.6(12) . . . . ?
C25 C26 C27 C28 -1.9(12) . . . . ?
C26 C27 C28 C29 1.2(12) . . . . ?
C27 C28 C29 N1 -0.8(11) . . . . ?
C27 C28 C29 C30 175.9(7) . . . . ?
N1 C29 C30 N6 -176.6(6) . . . . ?
C28 C29 C30 N6 6.4(9) . . . . ?
N1 C29 C30 N2 5.2(8) . . . . ?
C28 C29 C30 N2 -171.7(6) . . . . ?
C26 C25 N1 C29 -2.3(11) . . . . ?
C26 C25 N1 Dy1 163.8(6) . . . . ?
C28 C29 N1 C25 1.3(10) . . . . ?
C30 C29 N1 C25 -175.6(6) . . . . ?
C28 C29 N1 Dy1 -165.4(5) . . . . ?
C30 C29 N1 Dy1 17.7(7) . . . . ?
O5 Dy1 N1 C25 -103.8(5) . . . . ?
O2 Dy1 N1 C25 108.6(5) . . . . ?
O1 Dy1 N1 C25 44.5(5) . . . . ?
O4 Dy1 N1 C25 -29.4(5) . . . . ?
N7 Dy1 N1 C25 6.9(7) . . . . ?
N8 Dy1 N1 C25 -151.0(5) . . . . ?
N2 Dy1 N1 C25 172.8(6) . . . . ?
O5 Dy1 N1 C29 62.2(5) . . . . ?
O2 Dy1 N1 C29 -85.5(5) . . . . ?
O1 Dy1 N1 C29 -149.5(5) . . . . ?
O4 Dy1 N1 C29 136.5(5) . . . . ?
N7 Dy1 N1 C29 172.9(4) . . . . ?
N8 Dy1 N1 C29 14.9(6) . . . . ?
N2 Dy1 N1 C29 -21.2(4) . . . . ?
N6 C30 N2 C32 -8.8(9) . . . . ?
C29 C30 N2 C32 169.1(5) . . . . ?
N6 C30 N2 Dy1 157.6(5) . . . . ?
C29 C30 N2 Dy1 -24.5(7) . . . . ?
N3 C32 N2 C30 -169.3(6) . . . . ?
N4 C32 N2 C30 9.9(9) . . . . ?
N3 C32 N2 Dy1 26.6(8) . . . . ?
N4 C32 N2 Dy1 -154.2(5) . . . . ?
O5 Dy1 N2 C30 -60.4(4) . . . . ?
O2 Dy1 N2 C30 144.5(4) . . . . ?
O1 Dy1 N2 C30 80.0(4) . . . . ?
O4 Dy1 N2 C30 -10.6(5) . . . . ?
N1 Dy1 N2 C30 23.3(4) . . . . ?
N7 Dy1 N2 C30 -170.9(4) . . . . ?
N8 Dy1 N2 C30 -137.9(4) . . . . ?
O5 Dy1 N2 C32 103.6(5) . . . . ?
O2 Dy1 N2 C32 -51.5(5) . . . . ?
O1 Dy1 N2 C32 -116.1(5) . . . . ?
O4 Dy1 N2 C32 153.4(5) . . . . ?
N1 Dy1 N2 C32 -172.7(6) . . . . ?
N7 Dy1 N2 C32 -7.0(7) . . . . ?
N8 Dy1 N2 C32 26.1(5) . . . . ?
N5 C31 N4 C32 175.8(7) . . . . ?
N6 C31 N4 C32 -6.0(11) . . . . ?
N3 C32 N4 C31 176.0(6) . . . . ?
N2 C32 N4 C31 -3.2(10) . . . . ?
N2 C30 N6 C31 1.0(10) . . . . ?
C29 C30 N6 C31 -177.0(6) . . . . ?
N4 C31 N6 C30 7.1(11) . . . . ?
N5 C31 N6 C30 -174.6(7) . . . . ?
C20 C21 N7 C17 1.4(11) . . . . ?
C22 C21 N7 C17 -176.5(6) . . . . ?
C20 C21 N7 Dy1 -165.4(6) . . . . ?
C22 C21 N7 Dy1 16.7(8) . . . . ?
C18 C17 N7 C21 -0.2(12) . . . . ?
C18 C17 N7 Dy1 165.7(7) . . . . ?
O5 Dy1 N7 C21 -86.9(5) . . . . ?
O2 Dy1 N7 C21 59.5(5) . . . . ?
O1 Dy1 N7 C21 134.3(5) . . . . ?
O4 Dy1 N7 C21 -151.5(5) . . . . ?
N1 Dy1 N7 C21 171.1(4) . . . . ?
N8 Dy1 N7 C21 -21.9(5) . . . . ?
N2 Dy1 N7 C21 15.0(7) . . . . ?
O5 Dy1 N7 C17 107.2(6) . . . . ?
O2 Dy1 N7 C17 -106.4(6) . . . . ?
O1 Dy1 N7 C17 -31.6(6) . . . . ?
O4 Dy1 N7 C17 42.6(6) . . . . ?
N1 Dy1 N7 C17 5.2(8) . . . . ?
N8 Dy1 N7 C17 172.2(6) . . . . ?
N2 Dy1 N7 C17 -150.9(5) . . . . ?
N12 C22 N8 C24 -8.3(10) . . . . ?
C21 C22 N8 C24 168.7(6) . . . . ?
N12 C22 N8 Dy1 154.6(6) . . . . ?
C21 C22 N8 Dy1 -28.4(7) . . . . ?
N9 C24 N8 C22 -169.4(6) . . . . ?
N10 C24 N8 C22 11.3(9) . . . . ?
N9 C24 N8 Dy1 30.3(8) . . . . ?
N10 C24 N8 Dy1 -149.1(5) . . . . ?
O5 Dy1 N8 C22 145.1(5) . . . . ?
O2 Dy1 N8 C22 -56.5(4) . . . . ?
O1 Dy1 N8 C22 -9.2(6) . . . . ?
O4 Dy1 N8 C22 81.3(5) . . . . ?
N1 Dy1 N8 C22 -167.0(4) . . . . ?
N7 Dy1 N8 C22 26.1(4) . . . . ?
N2 Dy1 N8 C22 -134.8(5) . . . . ?
O5 Dy1 N8 C24 -54.8(5) . . . . ?
O2 Dy1 N8 C24 103.6(5) . . . . ?
O1 Dy1 N8 C24 150.8(5) . . . . ?
O4 Dy1 N8 C24 -118.6(5) . . . . ?
N1 Dy1 N8 C24 -7.0(7) . . . . ?
N7 Dy1 N8 C24 -173.8(6) . . . . ?
N2 Dy1 N8 C24 25.3(5) . . . . ?
N12 C23 N10 C24 -2.7(12) . . . . ?
N11 C23 N10 C24 176.0(7) . . . . ?
N9 C24 N10 C23 174.2(7) . . . . ?
N8 C24 N10 C23 -6.4(10) . . . . ?
N8 C22 N12 C23 0.4(11) . . . . ?
C21 C22 N12 C23 -176.6(7) . . . . ?
N10 C23 N12 C22 5.6(12) . . . . ?
N11 C23 N12 C22 -173.1(7) . . . . ?
C2 C1 O1 Dy1 -8.7(12) . . . . ?
O5 Dy1 O1 C1 -171.2(6) . . . . ?
O2 Dy1 O1 C1 16.8(6) . . . . ?
O4 Dy1 O1 C1 -140.3(7) . . . . ?
N1 Dy1 O1 C1 135.9(7) . . . . ?
N7 Dy1 O1 C1 -64.1(7) . . . . ?
N8 Dy1 O1 C1 -31.7(8) . . . . ?
N2 Dy1 O1 C1 84.3(7) . . . . ?
C6 C7 O2 Dy1 -164.7(5) . . . . ?
C2 C7 O2 Dy1 18.1(10) . . . . ?
O5 Dy1 O2 C7 167.5(5) . . . . ?
O1 Dy1 O2 C7 -22.0(6) . . . . ?
O4 Dy1 O2 C7 11.8(7) . . . . ?
N1 Dy1 O2 C7 -86.9(6) . . . . ?
N7 Dy1 O2 C7 59.7(6) . . . . ?
N8 Dy1 O2 C7 126.5(6) . . . . ?
N2 Dy1 O2 C7 -143.3(6) . . . . ?
C5 C6 O3 C8 7.7(12) . . . . ?
C7 C6 O3 C8 -170.8(7) . . . . ?
C10 C9 O4 Dy1 -1.4(12) . . . . ?
O5 Dy1 O4 C9 5.2(6) . . . . ?
O2 Dy1 O4 C9 171.5(6) . . . . ?
O1 Dy1 O4 C9 -154.4(7) . . . . ?
N1 Dy1 O4 C9 -77.5(7) . . . . ?
N7 Dy1 O4 C9 122.3(7) . . . . ?
N8 Dy1 O4 C9 71.4(7) . . . . ?
N2 Dy1 O4 C9 -46.6(8) . . . . ?
C14 C15 O5 Dy1 -173.4(5) . . . . ?
C10 C15 O5 Dy1 6.4(11) . . . . ?
O2 Dy1 O5 C15 -171.4(6) . . . . ?
O1 Dy1 O5 C15 22.6(7) . . . . ?
O4 Dy1 O5 C15 -8.0(6) . . . . ?
N1 Dy1 O5 C15 73.9(6) . . . . ?
N7 Dy1 O5 C15 -73.0(6) . . . . ?
N8 Dy1 O5 C15 -130.3(6) . . . . ?
N2 Dy1 O5 C15 139.8(6) . . . . ?
C13 C14 O6 C16 -2.0(12) . . . . ?
C15 C14 O6 C16 176.8(7) . . . . ?
O7 N13 O9 N13 -173(4) . . . 2 ?
O8 N13 O9 N13 4(4) . . . 2 ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        26.19
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.983
_refine_diff_density_min         -0.636
_refine_diff_density_rms         0.175
####################################################################### 
# 
# 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 1041139'
_audit_update_record             
;
2014-12-25 deposited with the CCDC.
2016-02-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H34 Dy F3 N12 O11 S'
_chemical_formula_weight         1026.28

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   20.791(2)
_cell_length_b                   18.7611(18)
_cell_length_c                   13.6144(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 129.032(2)
_cell_angle_gamma                90.00
_cell_volume                     4125.1(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4692
_cell_measurement_theta_min      2.90
_cell_measurement_theta_max      24.33

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2052
_exptl_absorpt_coefficient_mu    1.947
_exptl_absorpt_correction_type   multi_scan
_exptl_absorpt_correction_T_min  0.645
_exptl_absorpt_correction_T_max  0.664
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12967
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.85
_diffrn_reflns_theta_max         26.15
_reflns_number_total             4119
_reflns_number_gt                3346
_reflns_threshold_expression     >2sigma(I)

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

_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)+(0.0887P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4119
_refine_ls_number_parameters     310
_refine_ls_number_restraints     95
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_gt           0.0508
_refine_ls_wR_factor_ref         0.1492
_refine_ls_wR_factor_gt          0.1390
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_restrained_S_all      1.160
_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
C1 C 1.0190(5) 0.2190(4) 0.1142(7) 0.0520(17) Uani 1 1 d . . .
H1 H 0.9924 0.2531 0.0503 0.062 Uiso 1 1 calc R . .
C2 C 1.1060(4) 0.2228(3) 0.2008(7) 0.0467(15) Uani 1 1 d . . .
C3 C 1.1467(5) 0.2773(4) 0.1851(8) 0.064(2) Uani 1 1 d . . .
H3 H 1.1153 0.3102 0.1200 0.076 Uiso 1 1 calc R . .
C4 C 1.2292(6) 0.2818(5) 0.2627(9) 0.075(3) Uani 1 1 d . . .
H4 H 1.2550 0.3161 0.2490 0.090 Uiso 1 1 calc R . .
C5 C 1.2762(5) 0.2354(4) 0.3633(8) 0.067(2) Uani 1 1 d . . .
H5 H 1.3334 0.2411 0.4199 0.081 Uiso 1 1 calc R . .
C6 C 1.2411(4) 0.1814(4) 0.3818(8) 0.0564(19) Uani 1 1 d . . .
C7 C 1.1536(4) 0.1731(3) 0.2987(6) 0.0438(15) Uani 1 1 d . . .
C8 C 1.3684(5) 0.1384(6) 0.5675(9) 0.088(3) Uani 1 1 d . . .
H8A H 1.3942 0.1313 0.5295 0.133 Uiso 1 1 calc R . .
H8B H 1.3889 0.1037 0.6329 0.133 Uiso 1 1 calc R . .
H8C H 1.3811 0.1854 0.6032 0.133 Uiso 1 1 calc R . .
C9 C 0.8351(5) 0.0570(4) -0.0572(7) 0.0551(18) Uani 1 1 d . . .
H9 H 0.8287 0.1053 -0.0501 0.066 Uiso 1 1 calc R . .
C10 C 0.7695(5) 0.0223(4) -0.1619(7) 0.064(2) Uani 1 1 d . . .
H10 H 0.7213 0.0463 -0.2256 0.077 Uiso 1 1 calc R . .
C11 C 0.7781(5) -0.0493(5) -0.1684(7) 0.070(2) Uani 1 1 d . . .
H11 H 0.7337 -0.0756 -0.2352 0.084 Uiso 1 1 calc R . .
C12 C 0.8510(6) -0.0824(4) -0.0777(8) 0.062(2) Uani 1 1 d . . .
H12 H 0.8579 -0.1308 -0.0834 0.075 Uiso 1 1 calc R . .
C13 C 0.9145(4) -0.0424(4) 0.0227(6) 0.0461(15) Uani 1 1 d . . .
C14 C 0.9965(5) -0.0736(3) 0.1258(6) 0.0432(15) Uani 1 1 d . . .
C15 C 1.0784(5) -0.1704(4) 0.2192(7) 0.0551(18) Uani 1 1 d . . .
C16 C 1.1315(5) -0.0602(4) 0.2959(7) 0.0469(16) Uani 1 1 d . . .
C17 C 1.0000 0.5000 0.0000 0.244(8) Uani 1 2 d SDU . .
Dy1 Dy 1.0000 0.08138(2) 0.2500 0.03955(18) Uani 1 2 d S . .
F1 F 0.9713(17) 0.4391(7) -0.008(3) 0.258(9) Uani 0.50 1 d PDU . .
F2 F 0.9597(15) 0.5389(12) -0.1077(15) 0.246(8) Uani 0.50 1 d PDU . .
F3 F 1.0812(9) 0.5125(13) 0.076(2) 0.273(9) Uani 0.50 1 d PDU . .
N1 N 0.9068(3) 0.0275(3) 0.0347(5) 0.0481(13) Uani 1 1 d . . .
N2 N 1.0559(3) -0.0295(3) 0.2127(5) 0.0432(12) Uani 1 1 d . . .
N3 N 1.1956(3) -0.0188(3) 0.3760(6) 0.0580(16) Uani 1 1 d . . .
H3A H 1.2438 -0.0372 0.4310 0.070 Uiso 1 1 calc R . .
H3B H 1.1893 0.0267 0.3734 0.070 Uiso 1 1 calc R . .
N4 N 1.1441(4) -0.1315(3) 0.3032(6) 0.0563(16) Uani 1 1 d . . .
N5 N 1.0860(5) -0.2394(3) 0.2268(7) 0.077(2) Uani 1 1 d . . .
H5A H 1.1331 -0.2585 0.2855 0.093 Uiso 1 1 calc R . .
H5B H 1.0441 -0.2659 0.1731 0.093 Uiso 1 1 calc R . .
N6 N 1.0029(4) -0.1441(3) 0.1216(5) 0.0541(15) Uani 1 1 d . . .
O1 O 0.9741(3) 0.1758(3) 0.1134(5) 0.0579(13) Uani 1 1 d . . .
O2 O 1.1216(3) 0.1193(3) 0.3147(4) 0.0502(11) Uani 1 1 d . . .
O3 O 1.2819(3) 0.1310(3) 0.4747(6) 0.0712(16) Uani 1 1 d . . .
O7 O 0.8826(11) 0.5515(12) 0.014(2) 0.203(7) Uani 0.50 1 d PDU . .
O8 O 1.0144(15) 0.5200(11) 0.2094(16) 0.220(8) Uani 0.50 1 d PDU . .
O9 O 0.9925(14) 0.6289(8) 0.097(2) 0.199(8) Uani 0.50 1 d PDU . .
O10 O 0.2952(9) 0.8229(7) 0.5495(12) 0.206(5) Uani 1 1 d U . .
S1 S 0.9737(8) 0.5595(5) 0.0886(10) 0.192(4) Uani 0.50 1 d PDU . .


_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
C1 O1 1.231(9) . ?
C1 C2 1.407(10) . ?
C1 H1 0.9300 . ?
C2 C7 1.401(9) . ?
C2 C3 1.426(10) . ?
C3 C4 1.337(12) . ?
C3 H3 0.9300 . ?
C4 C5 1.379(12) . ?
C4 H4 0.9300 . ?
C5 C6 1.361(11) . ?
C5 H5 0.9300 . ?
C6 O3 1.366(10) . ?
C6 C7 1.423(10) . ?
C7 O2 1.301(8) . ?
C8 O3 1.410(10) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 N1 1.321(9) . ?
C9 C10 1.366(11) . ?
C9 H9 0.9300 . ?
C10 C11 1.365(11) . ?
C10 H10 0.9300 . ?
C11 C12 1.361(12) . ?
C11 H11 0.9300 . ?
C12 C13 1.379(11) . ?
C12 H12 0.9300 . ?
C13 N1 1.344(8) . ?
C13 C14 1.485(9) . ?
C14 N2 1.330(9) . ?
C14 N6 1.335(8) . ?
C15 N5 1.299(9) . ?
C15 N4 1.319(10) . ?
C15 N6 1.359(9) . ?
C16 N3 1.320(9) . ?
C16 N4 1.355(9) . ?
C16 N2 1.356(9) . ?
C17 F1 1.262(14) . ?
C17 F1 1.262(14) 5_765 ?
C17 F3 1.333(14) 5_765 ?
C17 F3 1.333(14) . ?
C17 F2 1.355(14) 5_765 ?
C17 F2 1.355(14) . ?
C17 S1 1.956(8) . ?
C17 S1 1.956(8) 5_765 ?
Dy1 O2 2.207(4) . ?
Dy1 O2 2.207(4) 2_755 ?
Dy1 O1 2.373(5) 2_755 ?
Dy1 O1 2.373(5) . ?
Dy1 N1 2.493(5) . ?
Dy1 N1 2.493(5) 2_755 ?
Dy1 N2 2.585(5) 2_755 ?
Dy1 N2 2.585(5) . ?
F1 F3 1.27(3) 5_765 ?
F1 F2 1.36(3) 5_765 ?
F1 S1 2.02(2) 5_765 ?
F2 F1 1.36(3) 5_765 ?
F2 F3 1.52(3) 5_765 ?
F3 F1 1.27(3) 5_765 ?
F3 F2 1.52(3) 5_765 ?
N3 H3A 0.8600 . ?
N3 H3B 0.8600 . ?
N5 H5A 0.8600 . ?
N5 H5B 0.8600 . ?
O7 S1 1.489(15) . ?
O8 S1 1.490(14) . ?
O8 O8 1.55(4) 2_755 ?
O9 S1 1.344(14) . ?
S1 F1 2.02(2) 5_765 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 C2 127.4(7) . . ?
O1 C1 H1 116.3 . . ?
C2 C1 H1 116.3 . . ?
C7 C2 C1 121.9(6) . . ?
C7 C2 C3 119.3(7) . . ?
C1 C2 C3 118.7(7) . . ?
C4 C3 C2 120.9(8) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C3 C4 C5 120.0(8) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 121.7(7) . . ?
C6 C5 H5 119.1 . . ?
C4 C5 H5 119.1 . . ?
C5 C6 O3 126.5(7) . . ?
C5 C6 C7 120.0(8) . . ?
O3 C6 C7 113.5(6) . . ?
O2 C7 C2 123.2(6) . . ?
O2 C7 C6 119.0(6) . . ?
C2 C7 C6 117.8(6) . . ?
O3 C8 H8A 109.5 . . ?
O3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
O3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 C10 125.4(7) . . ?
N1 C9 H9 117.3 . . ?
C10 C9 H9 117.3 . . ?
C11 C10 C9 116.8(7) . . ?
C11 C10 H10 121.6 . . ?
C9 C10 H10 121.6 . . ?
C12 C11 C10 120.5(8) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C11 C12 C13 118.3(7) . . ?
C11 C12 H12 120.8 . . ?
C13 C12 H12 120.8 . . ?
N1 C13 C12 122.6(6) . . ?
N1 C13 C14 115.0(6) . . ?
C12 C13 C14 122.4(6) . . ?
N2 C14 N6 126.4(6) . . ?
N2 C14 C13 117.8(5) . . ?
N6 C14 C13 115.8(6) . . ?
N5 C15 N4 118.3(7) . . ?
N5 C15 N6 116.6(7) . . ?
N4 C15 N6 125.0(6) . . ?
N3 C16 N4 118.2(6) . . ?
N3 C16 N2 118.5(6) . . ?
N4 C16 N2 123.3(7) . . ?
F1 C17 F1 180.0(5) . 5_765 ?
F1 C17 F3 58.3(12) . 5_765 ?
F1 C17 F3 121.7(12) 5_765 5_765 ?
F1 C17 F3 121.7(12) . . ?
F1 C17 F3 58.3(12) 5_765 . ?
F3 C17 F3 180(2) 5_765 . ?
F1 C17 F2 62.7(12) . 5_765 ?
F1 C17 F2 117.3(12) 5_765 5_765 ?
F3 C17 F2 111.3(11) 5_765 5_765 ?
F3 C17 F2 68.7(11) . 5_765 ?
F1 C17 F2 117.3(12) . . ?
F1 C17 F2 62.7(12) 5_765 . ?
F3 C17 F2 68.7(11) 5_765 . ?
F3 C17 F2 111.3(11) . . ?
F2 C17 F2 180.0(15) 5_765 . ?
F1 C17 S1 105.6(9) . . ?
F1 C17 S1 74.4(9) 5_765 . ?
F3 C17 S1 82.6(8) 5_765 . ?
F3 C17 S1 97.4(8) . . ?
F2 C17 S1 82.1(8) 5_765 . ?
F2 C17 S1 97.9(8) . . ?
F1 C17 S1 74.4(9) . 5_765 ?
F1 C17 S1 105.6(9) 5_765 5_765 ?
F3 C17 S1 97.4(8) 5_765 5_765 ?
F3 C17 S1 82.6(8) . 5_765 ?
F2 C17 S1 97.9(8) 5_765 5_765 ?
F2 C17 S1 82.1(8) . 5_765 ?
S1 C17 S1 180.0(5) . 5_765 ?
O2 Dy1 O2 142.4(2) . 2_755 ?
O2 Dy1 O1 79.01(18) . 2_755 ?
O2 Dy1 O1 73.12(17) 2_755 2_755 ?
O2 Dy1 O1 73.12(17) . . ?
O2 Dy1 O1 79.01(18) 2_755 . ?
O1 Dy1 O1 83.4(3) 2_755 . ?
O2 Dy1 N1 116.53(19) . . ?
O2 Dy1 N1 79.30(17) 2_755 . ?
O1 Dy1 N1 148.13(18) 2_755 . ?
O1 Dy1 N1 75.89(18) . . ?
O2 Dy1 N1 79.30(17) . 2_755 ?
O2 Dy1 N1 116.53(19) 2_755 2_755 ?
O1 Dy1 N1 75.89(18) 2_755 2_755 ?
O1 Dy1 N1 148.13(18) . 2_755 ?
N1 Dy1 N1 132.2(3) . 2_755 ?
O2 Dy1 N2 136.47(17) . 2_755 ?
O2 Dy1 N2 78.06(18) 2_755 2_755 ?
O1 Dy1 N2 110.78(18) 2_755 2_755 ?
O1 Dy1 N2 147.90(17) . 2_755 ?
N1 Dy1 N2 78.01(18) . 2_755 ?
N1 Dy1 N2 63.61(17) 2_755 2_755 ?
O2 Dy1 N2 78.06(18) . . ?
O2 Dy1 N2 136.47(17) 2_755 . ?
O1 Dy1 N2 147.90(17) 2_755 . ?
O1 Dy1 N2 110.78(18) . . ?
N1 Dy1 N2 63.61(17) . . ?
N1 Dy1 N2 78.01(18) 2_755 . ?
N2 Dy1 N2 72.9(2) 2_755 . ?
C17 F1 F3 63.6(11) . 5_765 ?
C17 F1 F2 62.0(11) . 5_765 ?
F3 F1 F2 115.0(17) 5_765 5_765 ?
C17 F1 S1 68.7(9) . 5_765 ?
F3 F1 S1 96.6(16) 5_765 5_765 ?
F2 F1 S1 94.6(15) 5_765 5_765 ?
C17 F2 F1 55.3(10) . 5_765 ?
C17 F2 F3 54.9(9) . 5_765 ?
F1 F2 F3 103.6(16) 5_765 5_765 ?
F1 F3 C17 58.0(11) 5_765 . ?
F1 F3 F2 106.6(17) 5_765 5_765 ?
C17 F3 F2 56.4(9) . 5_765 ?
C9 N1 C13 116.3(6) . . ?
C9 N1 Dy1 121.5(5) . . ?
C13 N1 Dy1 118.3(4) . . ?
C14 N2 C16 114.6(6) . . ?
C14 N2 Dy1 113.2(4) . . ?
C16 N2 Dy1 127.2(4) . . ?
C16 N3 H3A 120.0 . . ?
C16 N3 H3B 120.0 . . ?
H3A N3 H3B 120.0 . . ?
C15 N4 C16 115.9(6) . . ?
C15 N5 H5A 120.0 . . ?
C15 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C14 N6 C15 113.8(6) . . ?
C1 O1 Dy1 133.5(5) . . ?
C7 O2 Dy1 139.6(4) . . ?
C6 O3 C8 117.3(7) . . ?
S1 O8 O8 126(2) . 2_755 ?
O9 S1 O7 109.4(12) . . ?
O9 S1 O8 117.2(12) . . ?
O7 S1 O8 107.4(11) . . ?
O9 S1 C17 115.2(10) . . ?
O7 S1 C17 104.4(9) . . ?
O8 S1 C17 102.3(8) . . ?
O9 S1 F1 78.4(10) . 5_765 ?
O7 S1 F1 122.6(12) . 5_765 ?
O8 S1 F1 119.0(12) . 5_765 ?
C17 S1 F1 37.0(4) . 5_765 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C7 2.3(12) . . . . ?
O1 C1 C2 C3 180.0(7) . . . . ?
C7 C2 C3 C4 -0.3(12) . . . . ?
C1 C2 C3 C4 -178.1(8) . . . . ?
C2 C3 C4 C5 -3.1(14) . . . . ?
C3 C4 C5 C6 4.3(14) . . . . ?
C4 C5 C6 O3 177.1(8) . . . . ?
C4 C5 C6 C7 -2.0(13) . . . . ?
C1 C2 C7 O2 2.0(11) . . . . ?
C3 C2 C7 O2 -175.7(6) . . . . ?
C1 C2 C7 C6 -179.8(7) . . . . ?
C3 C2 C7 C6 2.6(10) . . . . ?
C5 C6 C7 O2 176.8(7) . . . . ?
O3 C6 C7 O2 -2.4(10) . . . . ?
C5 C6 C7 C2 -1.4(11) . . . . ?
O3 C6 C7 C2 179.3(6) . . . . ?
N1 C9 C10 C11 3.0(14) . . . . ?
C9 C10 C11 C12 -4.1(14) . . . . ?
C10 C11 C12 C13 2.5(14) . . . . ?
C11 C12 C13 N1 0.4(13) . . . . ?
C11 C12 C13 C14 -179.6(8) . . . . ?
N1 C13 C14 N2 -5.7(9) . . . . ?
C12 C13 C14 N2 174.3(7) . . . . ?
N1 C13 C14 N6 174.1(6) . . . . ?
C12 C13 C14 N6 -5.9(10) . . . . ?
F1 C17 F1 F3 33.8(19) 5_765 . . 5_765 ?
F3 C17 F1 F3 180.000(4) . . . 5_765 ?
F2 C17 F1 F3 143.0(17) 5_765 . . 5_765 ?
F2 C17 F1 F3 -37.0(17) . . . 5_765 ?
S1 C17 F1 F3 70.7(14) . . . 5_765 ?
S1 C17 F1 F3 -109.3(14) 5_765 . . 5_765 ?
F1 C17 F1 F2 -109.1(15) 5_765 . . 5_765 ?
F3 C17 F1 F2 -143.0(17) 5_765 . . 5_765 ?
F3 C17 F1 F2 37.0(17) . . . 5_765 ?
F2 C17 F1 F2 180.000(4) . . . 5_765 ?
S1 C17 F1 F2 -72.3(13) . . . 5_765 ?
S1 C17 F1 F2 107.7(13) 5_765 . . 5_765 ?
F1 C17 F1 S1 143.1(8) 5_765 . . 5_765 ?
F3 C17 F1 S1 109.3(14) 5_765 . . 5_765 ?
F3 C17 F1 S1 -70.7(14) . . . 5_765 ?
F2 C17 F1 S1 -107.7(13) 5_765 . . 5_765 ?
F2 C17 F1 S1 72.3(13) . . . 5_765 ?
S1 C17 F1 S1 180.0 . . . 5_765 ?
F1 C17 F2 F1 180.000(7) . . . 5_765 ?
F3 C17 F2 F1 146.6(15) 5_765 . . 5_765 ?
F3 C17 F2 F1 -33.4(15) . . . 5_765 ?
F2 C17 F2 F1 -64.0(14) 5_765 . . 5_765 ?
S1 C17 F2 F1 67.8(13) . . . 5_765 ?
S1 C17 F2 F1 -112.2(13) 5_765 . . 5_765 ?
F1 C17 F2 F3 33.4(15) . . . 5_765 ?
F1 C17 F2 F3 -146.6(15) 5_765 . . 5_765 ?
F3 C17 F2 F3 180.000(4) . . . 5_765 ?
F2 C17 F2 F3 149.4(14) 5_765 . . 5_765 ?
S1 C17 F2 F3 -78.8(10) . . . 5_765 ?
S1 C17 F2 F3 101.2(10) 5_765 . . 5_765 ?
F1 C17 F3 F1 180.000(4) . . . 5_765 ?
F3 C17 F3 F1 0(100) 5_765 . . 5_765 ?
F2 C17 F3 F1 -145.0(16) 5_765 . . 5_765 ?
F2 C17 F3 F1 35.0(16) . . . 5_765 ?
S1 C17 F3 F1 -66.4(13) . . . 5_765 ?
S1 C17 F3 F1 113.6(13) 5_765 . . 5_765 ?
F1 C17 F3 F2 -35.0(16) . . . 5_765 ?
F1 C17 F3 F2 145.0(16) 5_765 . . 5_765 ?
F3 C17 F3 F2 0(100) 5_765 . . 5_765 ?
F2 C17 F3 F2 180.0 . . . 5_765 ?
S1 C17 F3 F2 78.5(10) . . . 5_765 ?
S1 C17 F3 F2 -101.5(10) 5_765 . . 5_765 ?
C10 C9 N1 C13 -0.3(12) . . . . ?
C10 C9 N1 Dy1 -157.7(7) . . . . ?
C12 C13 N1 C9 -1.5(11) . . . . ?
C14 C13 N1 C9 178.5(6) . . . . ?
C12 C13 N1 Dy1 156.7(6) . . . . ?
C14 C13 N1 Dy1 -23.3(8) . . . . ?
O2 Dy1 N1 C9 -116.2(6) . . . . ?
O2 Dy1 N1 C9 27.7(6) 2_755 . . . ?
O1 Dy1 N1 C9 -2.6(8) 2_755 . . . ?
O1 Dy1 N1 C9 -53.5(6) . . . . ?
N1 Dy1 N1 C9 143.9(6) 2_755 . . . ?
N2 Dy1 N1 C9 107.6(6) 2_755 . . . ?
N2 Dy1 N1 C9 -175.8(6) . . . . ?
O2 Dy1 N1 C13 86.8(5) . . . . ?
O2 Dy1 N1 C13 -129.3(5) 2_755 . . . ?
O1 Dy1 N1 C13 -159.6(4) 2_755 . . . ?
O1 Dy1 N1 C13 149.4(5) . . . . ?
N1 Dy1 N1 C13 -13.1(4) 2_755 . . . ?
N2 Dy1 N1 C13 -49.4(5) 2_755 . . . ?
N2 Dy1 N1 C13 27.2(5) . . . . ?
N6 C14 N2 C16 7.0(10) . . . . ?
C13 C14 N2 C16 -173.2(6) . . . . ?
N6 C14 N2 Dy1 -150.1(6) . . . . ?
C13 C14 N2 Dy1 29.7(7) . . . . ?
N3 C16 N2 C14 172.5(6) . . . . ?
N4 C16 N2 C14 -9.4(9) . . . . ?
N3 C16 N2 Dy1 -34.2(9) . . . . ?
N4 C16 N2 Dy1 143.9(5) . . . . ?
O2 Dy1 N2 C14 -156.7(5) . . . . ?
O2 Dy1 N2 C14 5.8(6) 2_755 . . . ?
O1 Dy1 N2 C14 158.0(4) 2_755 . . . ?
O1 Dy1 N2 C14 -90.2(5) . . . . ?
N1 Dy1 N2 C14 -28.8(4) . . . . ?
N1 Dy1 N2 C14 121.9(5) 2_755 . . . ?
N2 Dy1 N2 C14 56.1(4) 2_755 . . . ?
O2 Dy1 N2 C16 49.7(5) . . . . ?
O2 Dy1 N2 C16 -147.8(5) 2_755 . . . ?
O1 Dy1 N2 C16 4.4(7) 2_755 . . . ?
O1 Dy1 N2 C16 116.2(5) . . . . ?
N1 Dy1 N2 C16 177.6(6) . . . . ?
N1 Dy1 N2 C16 -31.8(5) 2_755 . . . ?
N2 Dy1 N2 C16 -97.6(6) 2_755 . . . ?
N5 C15 N4 C16 -176.0(7) . . . . ?
N6 C15 N4 C16 6.2(11) . . . . ?
N3 C16 N4 C15 -178.5(7) . . . . ?
N2 C16 N4 C15 3.3(10) . . . . ?
N2 C14 N6 C15 1.2(10) . . . . ?
C13 C14 N6 C15 -178.6(6) . . . . ?
N5 C15 N6 C14 173.8(7) . . . . ?
N4 C15 N6 C14 -8.3(11) . . . . ?
C2 C1 O1 Dy1 3.3(12) . . . . ?
O2 Dy1 O1 C1 -7.9(7) . . . . ?
O2 Dy1 O1 C1 146.6(7) 2_755 . . . ?
O1 Dy1 O1 C1 72.6(7) 2_755 . . . ?
N1 Dy1 O1 C1 -131.8(7) . . . . ?
N1 Dy1 O1 C1 23.3(9) 2_755 . . . ?
N2 Dy1 O1 C1 -168.3(6) 2_755 . . . ?
N2 Dy1 O1 C1 -77.6(7) . . . . ?
C2 C7 O2 Dy1 -14.1(11) . . . . ?
C6 C7 O2 Dy1 167.7(5) . . . . ?
O2 Dy1 O2 C7 -30.1(6) 2_755 . . . ?
O1 Dy1 O2 C7 -72.5(7) 2_755 . . . ?
O1 Dy1 O2 C7 13.8(7) . . . . ?
N1 Dy1 O2 C7 77.9(7) . . . . ?
N1 Dy1 O2 C7 -150.1(7) 2_755 . . . ?
N2 Dy1 O2 C7 178.8(6) 2_755 . . . ?
N2 Dy1 O2 C7 130.1(7) . . . . ?
C5 C6 O3 C8 5.8(13) . . . . ?
C7 C6 O3 C8 -175.0(7) . . . . ?
O8 O8 S1 O9 82(2) 2_755 . . . ?
O8 O8 S1 O7 -42(2) 2_755 . . . ?
O8 O8 S1 C17 -151.3(17) 2_755 . . . ?
O8 O8 S1 F1 173.3(17) 2_755 . . 5_765 ?
F1 C17 S1 O9 -174.2(15) . . . . ?
F1 C17 S1 O9 5.8(15) 5_765 . . . ?
F3 C17 S1 O9 -120.1(14) 5_765 . . . ?
F3 C17 S1 O9 59.9(14) . . . . ?
F2 C17 S1 O9 127.1(14) 5_765 . . . ?
F2 C17 S1 O9 -52.9(14) . . . . ?
S1 C17 S1 O9 0.0(6) 5_765 . . . ?
F1 C17 S1 O7 -54.2(15) . . . . ?
F1 C17 S1 O7 125.8(15) 5_765 . . . ?
F3 C17 S1 O7 -0.1(13) 5_765 . . . ?
F3 C17 S1 O7 179.9(13) . . . . ?
F2 C17 S1 O7 -112.9(13) 5_765 . . . ?
F2 C17 S1 O7 67.1(13) . . . . ?
S1 C17 S1 O7 0.0(16) 5_765 . . . ?
F1 C17 S1 O8 57.6(15) . . . . ?
F1 C17 S1 O8 -122.4(15) 5_765 . . . ?
F3 C17 S1 O8 111.7(13) 5_765 . . . ?
F3 C17 S1 O8 -68.3(13) . . . . ?
F2 C17 S1 O8 -1.1(13) 5_765 . . . ?
F2 C17 S1 O8 178.9(13) . . . . ?
S1 C17 S1 O8 0.0(15) 5_765 . . . ?
F1 C17 S1 F1 180.000(2) . . . 5_765 ?
F3 C17 S1 F1 -125.9(14) 5_765 . . 5_765 ?
F3 C17 S1 F1 54.1(14) . . . 5_765 ?
F2 C17 S1 F1 121.3(14) 5_765 . . 5_765 ?
F2 C17 S1 F1 -58.7(14) . . . 5_765 ?
S1 C17 S1 F1 0.0(11) 5_765 . . 5_765 ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        26.15
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.361
_refine_diff_density_min         -0.963
_refine_diff_density_rms         0.138
