# Electronic Supplementary Material (ESI) for RSC Advances.
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1408951'
_audit_update_record             
;
2015-06-26 deposited with the CCDC.
2015-11-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H21 Dy2 N3 O21'
_chemical_formula_weight         976.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 -0.1890 4.4100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 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   P21/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                   9.0067(18)
_cell_length_b                   14.524(3)
_cell_length_c                   23.390(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 111.54(3)
_cell_angle_gamma                90.00
_cell_volume                     2846.0(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9441
_cell_measurement_theta_min      1.4020
_cell_measurement_theta_max      27.4839

_exptl_crystal_description       Plate
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1872
_exptl_absorpt_coefficient_mu    5.312
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5478
_exptl_absorpt_correction_T_max  1.0000
_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 dtetector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean '15x15 microns'
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19849
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_sigmaI/netI    0.0270
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.69
_diffrn_reflns_theta_max         27.48
_reflns_number_total             6473
_reflns_number_gt                6319
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_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)+(0.0167P)²+7.2183P] 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         6473
_refine_ls_number_parameters     428
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0271
_refine_ls_wR_factor_ref         0.0572
_refine_ls_wR_factor_gt          0.0566
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_restrained_S_all      1.176
_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 0.082442(18) 0.261873(11) 0.344914(7) 0.01352(5) Uani 1 1 d . . .
Dy2 Dy -0.506905(18) 0.499333(11) 0.233826(7) 0.01230(5) Uani 1 1 d . . .
C1 C 0.2740(4) 0.4439(3) 0.32007(17) 0.0177(7) Uani 1 1 d . . .
C2 C 0.2528(4) 0.4717(3) 0.37851(18) 0.0183(7) Uani 1 1 d . . .
C3 C 0.3299(5) 0.5456(3) 0.41381(19) 0.0229(8) Uani 1 1 d . . .
H3 H 0.3883 0.5863 0.3996 0.028 Uiso 1 1 calc R . .
C4 C 0.3189(5) 0.5582(3) 0.4710(2) 0.0241(8) Uani 1 1 d . . .
C5 C 0.2285(5) 0.4954(3) 0.4902(2) 0.0261(9) Uani 1 1 d . . .
H5 H 0.2213 0.5006 0.5287 0.031 Uiso 1 1 calc R . .
C6 C 0.1506(5) 0.4260(3) 0.45050(18) 0.0196(8) Uani 1 1 d . . .
C7 C 0.0495(5) 0.3544(3) 0.46594(18) 0.0224(8) Uani 1 1 d . . .
C8 C 0.3746(4) 0.2078(3) 0.47183(18) 0.0202(8) Uani 1 1 d . . .
C9 C 0.2707(4) 0.1236(3) 0.46540(17) 0.0191(7) Uani 1 1 d . . .
C10 C 0.3105(5) 0.0491(3) 0.50452(18) 0.0220(8) Uani 1 1 d . . .
H10 H 0.4033 0.0492 0.5394 0.026 Uiso 1 1 calc R . .
C11 C 0.2083(5) -0.0261(3) 0.49045(18) 0.0222(8) Uani 1 1 d . . .
C12 C 0.0643(4) -0.0211(3) 0.44035(18) 0.0205(8) Uani 1 1 d . . .
H12 H -0.0085 -0.0694 0.4313 0.025 Uiso 1 1 calc R . .
C13 C 0.0327(4) 0.0572(3) 0.40468(17) 0.0170(7) Uani 1 1 d . . .
C14 C -0.1205(4) 0.0742(3) 0.35073(17) 0.0177(7) Uani 1 1 d . . .
C15 C -0.2130(4) 0.3566(2) 0.23177(18) 0.0172(7) Uani 1 1 d . . .
C16 C -0.1381(4) 0.2984(2) 0.19615(17) 0.0149(7) Uani 1 1 d . . .
C17 C -0.1783(4) 0.3032(3) 0.13356(17) 0.0187(7) Uani 1 1 d . . .
H17 H -0.2604 0.3415 0.1097 0.022 Uiso 1 1 calc R . .
C18 C -0.0929(5) 0.2490(3) 0.10619(17) 0.0195(7) Uani 1 1 d . . .
C19 C 0.0220(4) 0.1886(3) 0.14377(18) 0.0200(8) Uani 1 1 d . . .
H19 H 0.0759 0.1487 0.1270 0.024 Uiso 1 1 calc R . .
C20 C 0.0543(4) 0.1887(2) 0.20563(17) 0.0159(7) Uani 1 1 d . . .
C21 C 0.1870(4) 0.1341(2) 0.25055(17) 0.0165(7) Uani 1 1 d . . .
N1 N 0.1617(4) 0.4131(2) 0.39560(14) 0.0173(6) Uani 1 1 d . . .
N2 N 0.1356(3) 0.1276(2) 0.41556(14) 0.0159(6) Uani 1 1 d . . .
N3 N -0.0222(3) 0.2431(2) 0.23234(14) 0.0152(6) Uani 1 1 d . . .
O1 O 0.2233(3) 0.36461(19) 0.29947(13) 0.0240(6) Uani 1 1 d . . .
O1W O -0.3440(3) 0.4403(2) 0.33190(13) 0.0252(6) Uani 1 1 d . . .
H1WA H -0.3236 0.4831 0.3597 0.038 Uiso 1 1 d R . .
H1WB H -0.2543 0.4200 0.3310 0.038 Uiso 1 1 d R . .
O2W O -0.4948(3) 0.5609(2) 0.14162(13) 0.0249(6) Uani 1 1 d . . .
O2 O 0.3432(3) 0.49821(18) 0.29710(14) 0.0237(6) Uani 1 1 d . . .
O3 O -0.0193(3) 0.29609(19) 0.42538(13) 0.0238(6) Uani 1 1 d . . .
O3W O -0.6126(3) 0.3459(2) 0.22265(15) 0.0288(7) Uani 1 1 d . . .
O4W O -0.5644(3) 0.65802(19) 0.24902(15) 0.0287(7) Uani 1 1 d . . .
O4 O 0.0423(5) 0.3583(2) 0.51811(15) 0.0451(10) Uani 1 1 d . . .
O5 O 0.3941(4) 0.6245(2) 0.51044(15) 0.0364(8) Uani 1 1 d . . .
O5W O -0.6318(13) 0.2419(7) 0.1204(4) 0.180(5) Uani 1 1 d G . .
H5WA H -0.5581 0.2423 0.1058 0.269 Uiso 1 1 d G . .
H5WB H -0.6793 0.1902 0.1130 0.269 Uiso 1 1 d G . .
O6 O 0.3442(3) 0.25420(19) 0.42304(13) 0.0244(6) Uani 1 1 d . . .
O6W O -0.3862(5) 0.2711(3) 0.37808(19) 0.0523(10) Uani 1 1 d . . .
O7 O 0.4793(4) 0.2264(2) 0.52268(14) 0.0319(7) Uani 1 1 d . . .
O8 O -0.1274(3) 0.14911(19) 0.32238(13) 0.0240(6) Uani 1 1 d . . .
O9 O -0.2289(3) 0.01489(19) 0.33846(13) 0.0221(6) Uani 1 1 d . . .
O10 O 0.2504(4) -0.1010(2) 0.52686(15) 0.0360(8) Uani 1 1 d . . .
O11 O -0.1421(3) 0.35495(19) 0.28937(12) 0.0225(6) Uani 1 1 d . . .
O12 O -0.3357(3) 0.40216(19) 0.20328(12) 0.0205(6) Uani 1 1 d . . .
O13 O 0.2153(3) 0.1489(2) 0.30697(13) 0.0247(6) Uani 1 1 d . . .
O14 O 0.2635(3) 0.08000(18) 0.23034(13) 0.0215(6) Uani 1 1 d . . .
O15 O -0.1229(4) 0.2568(2) 0.04641(12) 0.0291(7) Uani 1 1 d . . .
H15 H -0.0505 0.2196 0.0416 0.035 Uiso 1 1 d R . .
H10A H 0.2143 -0.1507 0.5058 0.035 Uiso 1 1 d R . .
H5A H 0.4175 0.6745 0.4892 0.035 Uiso 1 1 d R . .
H3WA H -0.6915 0.3234 0.2301 0.035 Uiso 1 1 d R . .
H2WA H -0.5763 0.5825 0.1126 0.035 Uiso 1 1 d R . .
H6WA H -0.4318 0.2665 0.4042 0.035 Uiso 1 1 d R . .
H2WB H -0.4090 0.5888 0.1471 0.035 Uiso 1 1 d R . .
H4WA H -0.5079 0.6647 0.2870 0.035 Uiso 1 1 d R . .
H4WB H -0.6602 0.6775 0.2351 0.035 Uiso 1 1 d R . .
H6WB H -0.2910 0.2917 0.3938 0.035 Uiso 1 1 d R . .
H3WB H -0.6738 0.3561 0.1853 0.035 Uiso 1 1 d R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O11 2.382(3) . ?
Dy1 O13 2.386(3) . ?
Dy1 O6 2.397(3) . ?
Dy1 O8 2.408(3) . ?
Dy1 O3 2.428(3) . ?
Dy1 O1 2.441(3) . ?
Dy1 N3 2.465(3) . ?
Dy1 N1 2.473(3) . ?
Dy1 N2 2.486(3) . ?
Dy2 O2 2.341(3) 1_455 ?
Dy2 O14 2.352(3) 2 ?
Dy2 O9 2.370(3) 2_455 ?
Dy2 O2W 2.374(3) . ?
Dy2 O1W 2.383(3) . ?
Dy2 O12 2.385(3) . ?
Dy2 O3W 2.400(3) . ?
Dy2 O4W 2.417(3) . ?
C1 O2 1.243(4) . ?
C1 O1 1.266(5) . ?
C1 C2 1.504(5) . ?
C2 N1 1.342(5) . ?
C2 C3 1.376(5) . ?
C3 C4 1.389(6) . ?
C3 H3 0.9300 . ?
C4 O5 1.334(5) . ?
C4 C5 1.401(5) . ?
C5 C6 1.375(5) . ?
C5 H5 0.9300 . ?
C6 N1 1.338(5) . ?
C6 C7 1.511(5) . ?
C7 O4 1.247(5) . ?
C7 O3 1.253(5) . ?
C8 O7 1.246(5) . ?
C8 O6 1.266(5) . ?
C8 C9 1.513(5) . ?
C9 N2 1.342(5) . ?
C9 C10 1.376(5) . ?
C10 C11 1.388(5) . ?
C10 H10 0.9300 . ?
C11 O10 1.347(5) . ?
C11 C12 1.395(5) . ?
C12 C13 1.376(5) . ?
C12 H12 0.9300 . ?
C13 N2 1.341(5) . ?
C13 C14 1.510(5) . ?
C14 O9 1.254(4) . ?
C14 O8 1.263(5) . ?
C15 O12 1.250(4) . ?
C15 O11 1.262(5) . ?
C15 C16 1.509(5) . ?
C16 N3 1.343(4) . ?
C16 C17 1.375(5) . ?
C17 C18 1.408(5) . ?
C17 H17 0.9300 . ?
C18 O15 1.328(5) . ?
C18 C19 1.395(5) . ?
C19 C20 1.367(5) . ?
C19 H19 0.9300 . ?
C20 N3 1.343(4) . ?
C20 C21 1.496(5) . ?
C21 O14 1.247(4) . ?
C21 O13 1.267(5) . ?
O1W H1WA 0.8682 . ?
O1W H1WB 0.8683 . ?
O2W H2WA 0.8560 . ?
O2W H2WB 0.8397 . ?
O2 Dy2 2.341(3) 1_655 ?
O3W H3WA 0.8549 . ?
O3W H3WB 0.8579 . ?
O4W H4WA 0.8512 . ?
O4W H4WB 0.8507 . ?
O5 H5A 0.9462 . ?
O5W H5WA 0.8498 . ?
O5W H5WB 0.8500 . ?
O6W H6WA 0.8548 . ?
O6W H6WB 0.8535 . ?
O9 Dy2 2.370(3) 2_445 ?
O10 H10A 0.8667 . ?
O14 Dy2 2.352(3) 2_545 ?
O15 H15 0.8845 . ?

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
O11 Dy1 O13 128.95(9) . . ?
O11 Dy1 O6 147.39(10) . . ?
O13 Dy1 O6 76.38(10) . . ?
O11 Dy1 O8 79.97(10) . . ?
O13 Dy1 O8 84.91(10) . . ?
O6 Dy1 O8 127.47(9) . . ?
O11 Dy1 O3 79.65(10) . . ?
O13 Dy1 O3 144.35(10) . . ?
O6 Dy1 O3 87.93(10) . . ?
O8 Dy1 O3 79.61(10) . . ?
O11 Dy1 O1 83.60(10) . . ?
O13 Dy1 O1 81.18(10) . . ?
O6 Dy1 O1 80.64(10) . . ?
O8 Dy1 O1 144.30(10) . . ?
O3 Dy1 O1 128.10(9) . . ?
O11 Dy1 N3 64.22(9) . . ?
O13 Dy1 N3 64.77(9) . . ?
O6 Dy1 N3 133.85(10) . . ?
O8 Dy1 N3 74.29(10) . . ?
O3 Dy1 N3 138.22(10) . . ?
O1 Dy1 N3 70.04(10) . . ?
O11 Dy1 N1 78.20(10) . . ?
O13 Dy1 N1 133.88(10) . . ?
O6 Dy1 N1 69.25(10) . . ?
O8 Dy1 N1 140.71(10) . . ?
O3 Dy1 N1 64.62(9) . . ?
O1 Dy1 N1 63.97(10) . . ?
N3 Dy1 N1 122.71(10) . . ?
O11 Dy1 N2 136.50(10) . . ?
O13 Dy1 N2 72.97(10) . . ?
O6 Dy1 N2 63.97(9) . . ?
O8 Dy1 N2 63.66(10) . . ?
O3 Dy1 N2 71.38(10) . . ?
O1 Dy1 N2 139.89(10) . . ?
N3 Dy1 N2 121.87(10) . . ?
N1 Dy1 N2 115.25(10) . . ?
O2 Dy2 O14 117.17(10) 1_455 2 ?
O2 Dy2 O9 77.91(10) 1_455 2_455 ?
O14 Dy2 O9 140.09(10) 2 2_455 ?
O2 Dy2 O2W 143.75(10) 1_455 . ?
O14 Dy2 O2W 77.78(10) 2 . ?
O9 Dy2 O2W 71.64(10) 2_455 . ?
O2 Dy2 O1W 71.52(10) 1_455 . ?
O14 Dy2 O1W 70.87(10) 2 . ?
O9 Dy2 O1W 145.39(10) 2_455 . ?
O2W Dy2 O1W 142.44(9) . . ?
O2 Dy2 O12 140.50(9) 1_455 . ?
O14 Dy2 O12 77.34(10) 2 . ?
O9 Dy2 O12 115.65(9) 2_455 . ?
O2W Dy2 O12 72.56(10) . . ?
O1W Dy2 O12 80.70(10) . . ?
O2 Dy2 O3W 76.38(10) 1_455 . ?
O14 Dy2 O3W 141.45(10) 2 . ?
O9 Dy2 O3W 75.91(10) 2_455 . ?
O2W Dy2 O3W 113.55(10) . . ?
O1W Dy2 O3W 81.39(11) . . ?
O12 Dy2 O3W 72.08(10) . . ?
O2 Dy2 O4W 73.09(10) 1_455 . ?
O14 Dy2 O4W 72.22(10) 2 . ?
O9 Dy2 O4W 78.51(9) 2_455 . ?
O2W Dy2 O4W 81.86(11) . . ?
O1W Dy2 O4W 106.91(11) . . ?
O12 Dy2 O4W 143.64(10) . . ?
O3W Dy2 O4W 143.48(10) . . ?
O2 C1 O1 125.5(4) . . ?
O2 C1 C2 118.2(3) . . ?
O1 C1 C2 116.2(3) . . ?
N1 C2 C3 123.1(4) . . ?
N1 C2 C1 113.3(3) . . ?
C3 C2 C1 123.4(3) . . ?
C2 C3 C4 118.8(4) . . ?
C2 C3 H3 120.6 . . ?
C4 C3 H3 120.6 . . ?
O5 C4 C3 124.3(4) . . ?
O5 C4 C5 117.1(4) . . ?
C3 C4 C5 118.6(4) . . ?
C6 C5 C4 118.2(4) . . ?
C6 C5 H5 120.9 . . ?
C4 C5 H5 120.9 . . ?
N1 C6 C5 123.5(3) . . ?
N1 C6 C7 113.4(3) . . ?
C5 C6 C7 123.1(3) . . ?
O4 C7 O3 125.6(4) . . ?
O4 C7 C6 117.1(3) . . ?
O3 C7 C6 117.3(3) . . ?
O7 C8 O6 125.6(4) . . ?
O7 C8 C9 119.6(3) . . ?
O6 C8 C9 114.8(3) . . ?
N2 C9 C10 122.9(3) . . ?
N2 C9 C8 112.4(3) . . ?
C10 C9 C8 124.6(3) . . ?
C9 C10 C11 118.2(3) . . ?
C9 C10 H10 120.9 . . ?
C11 C10 H10 120.9 . . ?
O10 C11 C10 118.5(3) . . ?
O10 C11 C12 122.2(4) . . ?
C10 C11 C12 119.3(4) . . ?
C13 C12 C11 118.3(3) . . ?
C13 C12 H12 120.8 . . ?
C11 C12 H12 120.8 . . ?
N2 C13 C12 122.7(3) . . ?
N2 C13 C14 112.9(3) . . ?
C12 C13 C14 124.4(3) . . ?
O9 C14 O8 126.0(3) . . ?
O9 C14 C13 118.3(3) . . ?
O8 C14 C13 115.7(3) . . ?
O12 C15 O11 125.5(3) . . ?
O12 C15 C16 119.3(3) . . ?
O11 C15 C16 115.2(3) . . ?
N3 C16 C17 122.8(3) . . ?
N3 C16 C15 112.9(3) . . ?
C17 C16 C15 124.3(3) . . ?
C16 C17 C18 118.8(3) . . ?
C16 C17 H17 120.6 . . ?
C18 C17 H17 120.6 . . ?
O15 C18 C19 122.3(3) . . ?
O15 C18 C17 119.8(3) . . ?
C19 C18 C17 117.9(3) . . ?
C20 C19 C18 119.1(3) . . ?
C20 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
N3 C20 C19 123.1(3) . . ?
N3 C20 C21 113.5(3) . . ?
C19 C20 C21 123.2(3) . . ?
O14 C21 O13 125.0(3) . . ?
O14 C21 C20 118.6(3) . . ?
O13 C21 C20 116.4(3) . . ?
C6 N1 C2 117.8(3) . . ?
C6 N1 Dy1 118.4(2) . . ?
C2 N1 Dy1 121.5(2) . . ?
C13 N2 C9 118.3(3) . . ?
C13 N2 Dy1 121.4(2) . . ?
C9 N2 Dy1 120.2(2) . . ?
C16 N3 C20 118.1(3) . . ?
C16 N3 Dy1 120.7(2) . . ?
C20 N3 Dy1 120.1(2) . . ?
C1 O1 Dy1 124.2(2) . . ?
Dy2 O1W H1WA 110.4 . . ?
Dy2 O1W H1WB 110.4 . . ?
H1WA O1W H1WB 108.5 . . ?
Dy2 O2W H2WA 123.1 . . ?
Dy2 O2W H2WB 112.9 . . ?
H2WA O2W H2WB 114.7 . . ?
C1 O2 Dy2 140.7(3) . 1_655 ?
C7 O3 Dy1 120.2(2) . . ?
Dy2 O3W H3WA 131.2 . . ?
Dy2 O3W H3WB 91.8 . . ?
H3WA O3W H3WB 90.1 . . ?
Dy2 O4W H4WA 100.6 . . ?
Dy2 O4W H4WB 120.2 . . ?
H4WA O4W H4WB 119.7 . . ?
C4 O5 H5A 110.2 . . ?
H5WA O5W H5WB 109.5 . . ?
C8 O6 Dy1 122.6(2) . . ?
H6WA O6W H6WB 113.0 . . ?
C14 O8 Dy1 126.0(2) . . ?
C14 O9 Dy2 136.2(2) . 2_445 ?
C11 O10 H10A 110.7 . . ?
C15 O11 Dy1 126.1(2) . . ?
C15 O12 Dy2 134.1(2) . . ?
C21 O13 Dy1 124.6(2) . . ?
C21 O14 Dy2 138.7(2) . 2_545 ?
C18 O15 H15 102.0 . . ?

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
O2 C1 C2 N1 173.0(3) . . . . ?
O1 C1 C2 N1 -9.1(5) . . . . ?
O2 C1 C2 C3 -12.3(6) . . . . ?
O1 C1 C2 C3 165.6(4) . . . . ?
N1 C2 C3 C4 2.8(6) . . . . ?
C1 C2 C3 C4 -171.4(4) . . . . ?
C2 C3 C4 O5 176.8(4) . . . . ?
C2 C3 C4 C5 -0.5(6) . . . . ?
O5 C4 C5 C6 -179.6(4) . . . . ?
C3 C4 C5 C6 -2.1(6) . . . . ?
C4 C5 C6 N1 2.8(6) . . . . ?
C4 C5 C6 C7 -180.0(4) . . . . ?
N1 C6 C7 O4 175.3(4) . . . . ?
C5 C6 C7 O4 -2.2(6) . . . . ?
N1 C6 C7 O3 -4.5(5) . . . . ?
C5 C6 C7 O3 178.0(4) . . . . ?
O7 C8 C9 N2 160.6(4) . . . . ?
O6 C8 C9 N2 -19.0(5) . . . . ?
O7 C8 C9 C10 -21.5(6) . . . . ?
O6 C8 C9 C10 158.9(4) . . . . ?
N2 C9 C10 C11 2.1(6) . . . . ?
C8 C9 C10 C11 -175.6(4) . . . . ?
C9 C10 C11 O10 176.8(4) . . . . ?
C9 C10 C11 C12 -4.8(6) . . . . ?
O10 C11 C12 C13 -178.4(4) . . . . ?
C10 C11 C12 C13 3.3(6) . . . . ?
C11 C12 C13 N2 1.2(6) . . . . ?
C11 C12 C13 C14 -177.3(4) . . . . ?
N2 C13 C14 O9 -176.3(3) . . . . ?
C12 C13 C14 O9 2.4(6) . . . . ?
N2 C13 C14 O8 2.9(5) . . . . ?
C12 C13 C14 O8 -178.5(4) . . . . ?
O12 C15 C16 N3 -170.7(3) . . . . ?
O11 C15 C16 N3 9.8(5) . . . . ?
O12 C15 C16 C17 11.7(6) . . . . ?
O11 C15 C16 C17 -167.7(4) . . . . ?
N3 C16 C17 C18 -1.1(6) . . . . ?
C15 C16 C17 C18 176.3(3) . . . . ?
C16 C17 C18 O15 -175.8(4) . . . . ?
C16 C17 C18 C19 4.0(6) . . . . ?
O15 C18 C19 C20 175.6(4) . . . . ?
C17 C18 C19 C20 -4.3(6) . . . . ?
C18 C19 C20 N3 1.6(6) . . . . ?
C18 C19 C20 C21 -173.2(3) . . . . ?
N3 C20 C21 O14 178.5(3) . . . . ?
C19 C20 C21 O14 -6.2(6) . . . . ?
N3 C20 C21 O13 -3.2(5) . . . . ?
C19 C20 C21 O13 172.0(4) . . . . ?
C5 C6 N1 C2 -0.7(6) . . . . ?
C7 C6 N1 C2 -178.2(3) . . . . ?
C5 C6 N1 Dy1 162.0(3) . . . . ?
C7 C6 N1 Dy1 -15.5(4) . . . . ?
C3 C2 N1 C6 -2.2(6) . . . . ?
C1 C2 N1 C6 172.5(3) . . . . ?
C3 C2 N1 Dy1 -164.3(3) . . . . ?
C1 C2 N1 Dy1 10.4(4) . . . . ?
O11 Dy1 N1 C6 102.9(3) . . . . ?
O13 Dy1 N1 C6 -123.4(3) . . . . ?
O6 Dy1 N1 C6 -79.0(3) . . . . ?
O8 Dy1 N1 C6 45.4(3) . . . . ?
O3 Dy1 N1 C6 18.9(3) . . . . ?
O1 Dy1 N1 C6 -168.5(3) . . . . ?
N3 Dy1 N1 C6 151.5(3) . . . . ?
N2 Dy1 N1 C6 -33.2(3) . . . . ?
O11 Dy1 N1 C2 -95.0(3) . . . . ?
O13 Dy1 N1 C2 38.6(3) . . . . ?
O6 Dy1 N1 C2 83.1(3) . . . . ?
O8 Dy1 N1 C2 -152.6(3) . . . . ?
O3 Dy1 N1 C2 -179.0(3) . . . . ?
O1 Dy1 N1 C2 -6.4(3) . . . . ?
N3 Dy1 N1 C2 -46.5(3) . . . . ?
N2 Dy1 N1 C2 128.9(3) . . . . ?
C12 C13 N2 C9 -4.0(6) . . . . ?
C14 C13 N2 C9 174.7(3) . . . . ?
C12 C13 N2 Dy1 175.0(3) . . . . ?
C14 C13 N2 Dy1 -6.3(4) . . . . ?
C10 C9 N2 C13 2.3(6) . . . . ?
C8 C9 N2 C13 -179.8(3) . . . . ?
C10 C9 N2 Dy1 -176.7(3) . . . . ?
C8 C9 N2 Dy1 1.2(4) . . . . ?
O11 Dy1 N2 C13 41.8(3) . . . . ?
O13 Dy1 N2 C13 -87.4(3) . . . . ?
O6 Dy1 N2 C13 -170.3(3) . . . . ?
O8 Dy1 N2 C13 5.3(3) . . . . ?
O3 Dy1 N2 C13 92.7(3) . . . . ?
O1 Dy1 N2 C13 -139.7(3) . . . . ?
N3 Dy1 N2 C13 -43.1(3) . . . . ?
N1 Dy1 N2 C13 141.5(3) . . . . ?
O11 Dy1 N2 C9 -139.2(3) . . . . ?
O13 Dy1 N2 C9 91.5(3) . . . . ?
O6 Dy1 N2 C9 8.7(3) . . . . ?
O8 Dy1 N2 C9 -175.7(3) . . . . ?
O3 Dy1 N2 C9 -88.3(3) . . . . ?
O1 Dy1 N2 C9 39.3(3) . . . . ?
N3 Dy1 N2 C9 135.9(3) . . . . ?
N1 Dy1 N2 C9 -39.5(3) . . . . ?
C17 C16 N3 C20 -1.7(5) . . . . ?
C15 C16 N3 C20 -179.3(3) . . . . ?
C17 C16 N3 Dy1 166.7(3) . . . . ?
C15 C16 N3 Dy1 -10.9(4) . . . . ?
C19 C20 N3 C16 1.4(5) . . . . ?
C21 C20 N3 C16 176.7(3) . . . . ?
C19 C20 N3 Dy1 -167.0(3) . . . . ?
C21 C20 N3 Dy1 8.2(4) . . . . ?
O11 Dy1 N3 C16 6.6(2) . . . . ?
O13 Dy1 N3 C16 -175.4(3) . . . . ?
O6 Dy1 N3 C16 -139.8(2) . . . . ?
O8 Dy1 N3 C16 92.9(3) . . . . ?
O3 Dy1 N3 C16 39.5(3) . . . . ?
O1 Dy1 N3 C16 -85.9(3) . . . . ?
N1 Dy1 N3 C16 -47.9(3) . . . . ?
N2 Dy1 N3 C16 137.0(3) . . . . ?
O11 Dy1 N3 C20 174.8(3) . . . . ?
O13 Dy1 N3 C20 -7.2(2) . . . . ?
O6 Dy1 N3 C20 28.3(3) . . . . ?
O8 Dy1 N3 C20 -99.0(3) . . . . ?
O3 Dy1 N3 C20 -152.4(2) . . . . ?
O1 Dy1 N3 C20 82.3(3) . . . . ?
N1 Dy1 N3 C20 120.3(3) . . . . ?
N2 Dy1 N3 C20 -54.8(3) . . . . ?
O2 C1 O1 Dy1 -178.5(3) . . . . ?
C2 C1 O1 Dy1 3.9(4) . . . . ?
O11 Dy1 O1 C1 80.9(3) . . . . ?
O13 Dy1 O1 C1 -148.0(3) . . . . ?
O6 Dy1 O1 C1 -70.5(3) . . . . ?
O8 Dy1 O1 C1 143.7(3) . . . . ?
O3 Dy1 O1 C1 9.4(3) . . . . ?
N3 Dy1 O1 C1 145.7(3) . . . . ?
N1 Dy1 O1 C1 0.9(3) . . . . ?
N2 Dy1 O1 C1 -98.1(3) . . . . ?
O1 C1 O2 Dy2 -23.5(7) . . . 1_655 ?
C2 C1 O2 Dy2 154.2(3) . . . 1_655 ?
O4 C7 O3 Dy1 -156.7(4) . . . . ?
C6 C7 O3 Dy1 23.1(5) . . . . ?
O11 Dy1 O3 C7 -103.9(3) . . . . ?
O13 Dy1 O3 C7 108.8(3) . . . . ?
O6 Dy1 O3 C7 45.8(3) . . . . ?
O8 Dy1 O3 C7 174.5(3) . . . . ?
O1 Dy1 O3 C7 -30.6(3) . . . . ?
N3 Dy1 O3 C7 -133.7(3) . . . . ?
N1 Dy1 O3 C7 -22.2(3) . . . . ?
N2 Dy1 O3 C7 109.0(3) . . . . ?
O7 C8 O6 Dy1 -149.7(3) . . . . ?
C9 C8 O6 Dy1 29.8(5) . . . . ?
O11 Dy1 O6 C8 116.1(3) . . . . ?
O13 Dy1 O6 C8 -98.7(3) . . . . ?
O8 Dy1 O6 C8 -26.2(4) . . . . ?
O3 Dy1 O6 C8 49.0(3) . . . . ?
O1 Dy1 O6 C8 178.2(3) . . . . ?
N3 Dy1 O6 C8 -131.4(3) . . . . ?
N1 Dy1 O6 C8 112.6(3) . . . . ?
N2 Dy1 O6 C8 -21.2(3) . . . . ?
O9 C14 O8 Dy1 -178.9(3) . . . . ?
C13 C14 O8 Dy1 2.1(5) . . . . ?
O11 Dy1 O8 C14 -159.2(3) . . . . ?
O13 Dy1 O8 C14 69.7(3) . . . . ?
O6 Dy1 O8 C14 1.2(4) . . . . ?
O3 Dy1 O8 C14 -78.0(3) . . . . ?
O1 Dy1 O8 C14 136.9(3) . . . . ?
N3 Dy1 O8 C14 134.9(3) . . . . ?
N1 Dy1 O8 C14 -102.2(3) . . . . ?
N2 Dy1 O8 C14 -3.8(3) . . . . ?
O8 C14 O9 Dy2 -1.9(6) . . . 2_445 ?
C13 C14 O9 Dy2 177.1(2) . . . 2_445 ?
O12 C15 O11 Dy1 176.1(3) . . . . ?
C16 C15 O11 Dy1 -4.6(5) . . . . ?
O13 Dy1 O11 C15 -2.9(4) . . . . ?
O6 Dy1 O11 C15 131.7(3) . . . . ?
O8 Dy1 O11 C15 -77.9(3) . . . . ?
O3 Dy1 O11 C15 -159.0(3) . . . . ?
O1 Dy1 O11 C15 70.3(3) . . . . ?
N3 Dy1 O11 C15 -0.6(3) . . . . ?
N1 Dy1 O11 C15 135.0(3) . . . . ?
N2 Dy1 O11 C15 -110.6(3) . . . . ?
O11 C15 O12 Dy2 -3.2(6) . . . . ?
C16 C15 O12 Dy2 177.5(2) . . . . ?
O2 Dy2 O12 C15 -53.0(4) 1_455 . . . ?
O14 Dy2 O12 C15 64.7(3) 2 . . . ?
O9 Dy2 O12 C15 -155.5(3) 2_455 . . . ?
O2W Dy2 O12 C15 145.6(4) . . . . ?
O1W Dy2 O12 C15 -7.7(3) . . . . ?
O3W Dy2 O12 C15 -91.6(3) . . . . ?
O4W Dy2 O12 C15 98.3(4) . . . . ?
O14 C21 O13 Dy1 174.5(3) . . . . ?
C20 C21 O13 Dy1 -3.6(5) . . . . ?
O11 Dy1 O13 C21 7.9(4) . . . . ?
O6 Dy1 O13 C21 -148.8(3) . . . . ?
O8 Dy1 O13 C21 80.6(3) . . . . ?
O3 Dy1 O13 C21 144.8(3) . . . . ?
O1 Dy1 O13 C21 -66.4(3) . . . . ?
N3 Dy1 O13 C21 5.6(3) . . . . ?
N1 Dy1 O13 C21 -106.5(3) . . . . ?
N2 Dy1 O13 C21 144.6(3) . . . . ?
O13 C21 O14 Dy2 -14.9(6) . . . 2_545 ?
C20 C21 O14 Dy2 163.2(3) . . . 2_545 ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.745
_refine_diff_density_min         -1.072
_refine_diff_density_rms         0.130
_exptl_crystal_preparation       'Magnetic properties'
