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

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

data_xx
_database_code_depnum_ccdc_archive 'CCDC 1483792'
_audit_update_record             
;
2016-06-07 deposited with the CCDC.
2016-08-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H16 Dy N7 O9'
_chemical_formula_weight         660.90

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

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'Pbcn '

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

_cell_length_a                   16.677(3)
_cell_length_b                   9.1600(18)
_cell_length_c                   15.041(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2297.7(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2634
_cell_measurement_theta_min      3.57
_cell_measurement_theta_max      27.47

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.911
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1292
_exptl_absorpt_coefficient_mu    3.320
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.384
_exptl_absorpt_correction_T_max  0.451
_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 Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            20349
_diffrn_reflns_av_R_equivalents  0.0285
_diffrn_reflns_av_sigmaI/netI    0.0183
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.57
_diffrn_reflns_theta_max         27.47
_reflns_number_total             2599
_reflns_number_gt                2088
_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, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL


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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0366P)²+0.3389P] 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         2599
_refine_ls_number_parameters     169
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0305
_refine_ls_R_factor_gt           0.0243
_refine_ls_wR_factor_ref         0.0614
_refine_ls_wR_factor_gt          0.0578
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001

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 -0.14393(13) -0.1613(3) 0.79106(17) 0.0347(5) Uani 1 1 d . . .
C2 C -0.18516(17) -0.2744(3) 0.83196(19) 0.0532(7) Uani 1 1 d . . .
H2A H -0.2375 -0.2959 0.8152 0.064 Uiso 1 1 calc R . .
C3 C -0.1481(2) -0.3548(3) 0.8976(2) 0.0626(8) Uani 1 1 d . . .
H3A H -0.1750 -0.4312 0.9253 0.075 Uiso 1 1 calc R . .
C4 C -0.07128(18) -0.3206(3) 0.92151(19) 0.0531(7) Uani 1 1 d . . .
H4A H -0.0450 -0.3734 0.9656 0.064 Uiso 1 1 calc R . .
C5 C -0.03344(16) -0.2064(3) 0.87918(17) 0.0403(5) Uani 1 1 d . . .
H5A H 0.0186 -0.1829 0.8961 0.048 Uiso 1 1 calc R . .
C6 C -0.17933(14) -0.0719(3) 0.71839(19) 0.0342(5) Uani 1 1 d . . .
C7 C -0.26007(14) -0.0779(3) 0.6971(2) 0.0456(7) Uani 1 1 d . . .
H7A H -0.2946 -0.1377 0.7291 0.055 Uiso 1 1 calc R . .
C8 C -0.28878(14) 0.0060(3) 0.6276(2) 0.0542(7) Uani 1 1 d . . .
H8A H -0.3429 0.0037 0.6129 0.065 Uiso 1 1 calc R . .
C9 C -0.23729(16) 0.0917(3) 0.5812(2) 0.0507(7) Uani 1 1 d . . .
H9A H -0.2553 0.1474 0.5335 0.061 Uiso 1 1 calc R . .
C10 C -0.15714(15) 0.0945(3) 0.60629(19) 0.0417(6) Uani 1 1 d . . .
H10A H -0.1220 0.1534 0.5744 0.050 Uiso 1 1 calc R . .
N1 N -0.06823(11) -0.1277(2) 0.81472(13) 0.0320(4) Uani 1 1 d . . .
N2 N -0.12833(10) 0.0165(2) 0.67426(12) 0.0329(4) Uani 1 1 d . . .
N3 N 0.08727(11) 0.1786(2) 0.58895(14) 0.0430(5) Uani 1 1 d . . .
N4 N 0.0000 0.4095(4) 0.7500 0.0544(13) Uani 1 2 d S . .
O1 O 0.11660(9) 0.1874(2) 0.66689(11) 0.0422(4) Uani 1 1 d . . .
O2 O 0.01981(11) 0.1188(2) 0.58215(13) 0.0408(4) Uani 1 1 d . . .
O3 O 0.12307(14) 0.2266(3) 0.52464(15) 0.0847(8) Uani 1 1 d . . .
O4 O 0.03801(12) 0.3348(2) 0.80802(14) 0.0530(5) Uani 1 1 d . . .
O5 O 0.0000 0.5413(5) 0.7500 0.106(2) Uani 1 2 d S . .
Dy1 Dy 0.0000 0.093169(15) 0.7500 0.02516(7) Uani 1 2 d S . .


_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 N1 1.347(3) . ?
C1 C2 1.387(3) . ?
C1 C6 1.488(4) . ?
C2 C3 1.378(4) . ?
C2 H2A 0.9300 . ?
C3 C4 1.367(4) . ?
C3 H3A 0.9300 . ?
C4 C5 1.377(4) . ?
C4 H4A 0.9300 . ?
C5 N1 1.340(3) . ?
C5 H5A 0.9300 . ?
C6 N2 1.349(3) . ?
C6 C7 1.385(3) . ?
C7 C8 1.382(4) . ?
C7 H7A 0.9300 . ?
C8 C9 1.357(4) . ?
C8 H8A 0.9300 . ?
C9 C10 1.389(3) . ?
C9 H9A 0.9300 . ?
C10 N2 1.337(3) . ?
C10 H10A 0.9300 . ?
N1 Dy1 2.5169(18) . ?
N2 Dy1 2.5243(17) . ?
N3 O3 1.219(3) . ?
N3 O2 1.256(3) . ?
N3 O1 1.273(3) . ?
N3 Dy1 2.932(2) . ?
N4 O5 1.207(5) . ?
N4 O4 1.277(3) 3_556 ?
N4 O4 1.277(3) . ?
N4 Dy1 2.897(3) . ?
O1 Dy1 2.4677(16) . ?
O2 Dy1 2.557(2) . ?
O4 Dy1 2.4620(18) . ?
Dy1 O4 2.4620(18) 3_556 ?
Dy1 O1 2.4676(16) 3_556 ?
Dy1 N1 2.5169(18) 3_556 ?
Dy1 N2 2.5243(17) 3_556 ?
Dy1 O2 2.557(2) 3_556 ?

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
N1 C1 C2 121.2(2) . . ?
N1 C1 C6 116.1(2) . . ?
C2 C1 C6 122.7(2) . . ?
C3 C2 C1 119.6(3) . . ?
C3 C2 H2A 120.2 . . ?
C1 C2 H2A 120.2 . . ?
C4 C3 C2 119.1(3) . . ?
C4 C3 H3A 120.5 . . ?
C2 C3 H3A 120.5 . . ?
C3 C4 C5 118.8(3) . . ?
C3 C4 H4A 120.6 . . ?
C5 C4 H4A 120.6 . . ?
N1 C5 C4 123.0(2) . . ?
N1 C5 H5A 118.5 . . ?
C4 C5 H5A 118.5 . . ?
N2 C6 C7 121.5(3) . . ?
N2 C6 C1 116.2(2) . . ?
C7 C6 C1 122.3(2) . . ?
C8 C7 C6 119.3(3) . . ?
C8 C7 H7A 120.3 . . ?
C6 C7 H7A 120.3 . . ?
C9 C8 C7 119.4(2) . . ?
C9 C8 H8A 120.3 . . ?
C7 C8 H8A 120.3 . . ?
C8 C9 C10 118.7(3) . . ?
C8 C9 H9A 120.7 . . ?
C10 C9 H9A 120.7 . . ?
N2 C10 C9 122.9(2) . . ?
N2 C10 H10A 118.5 . . ?
C9 C10 H10A 118.5 . . ?
C5 N1 C1 118.3(2) . . ?
C5 N1 Dy1 121.09(15) . . ?
C1 N1 Dy1 120.35(15) . . ?
C10 N2 C6 118.1(2) . . ?
C10 N2 Dy1 120.06(15) . . ?
C6 N2 Dy1 118.65(15) . . ?
O3 N3 O2 122.1(2) . . ?
O3 N3 O1 121.3(2) . . ?
O2 N3 O1 116.6(2) . . ?
O3 N3 Dy1 174.3(2) . . ?
O2 N3 Dy1 60.40(12) . . ?
O1 N3 Dy1 56.42(11) . . ?
O5 N4 O4 122.39(15) . 3_556 ?
O5 N4 O4 122.39(15) . . ?
O4 N4 O4 115.2(3) 3_556 . ?
O5 N4 Dy1 180.000(1) . . ?
O4 N4 Dy1 57.61(15) 3_556 . ?
O4 N4 Dy1 57.61(15) . . ?
N3 O1 Dy1 98.13(12) . . ?
N3 O2 Dy1 94.32(14) . . ?
N4 O4 Dy1 96.41(17) . . ?
O4 Dy1 O4 51.97(10) 3_556 . ?
O4 Dy1 O1 70.25(6) 3_556 3_556 ?
O4 Dy1 O1 73.07(6) . 3_556 ?
O4 Dy1 O1 73.07(6) 3_556 . ?
O4 Dy1 O1 70.25(6) . . ?
O1 Dy1 O1 139.04(9) 3_556 . ?
O4 Dy1 N1 134.57(7) 3_556 3_556 ?
O4 Dy1 N1 138.00(6) . 3_556 ?
O1 Dy1 N1 146.45(6) 3_556 3_556 ?
O1 Dy1 N1 74.28(6) . 3_556 ?
O4 Dy1 N1 138.01(6) 3_556 . ?
O4 Dy1 N1 134.57(7) . . ?
O1 Dy1 N1 74.28(6) 3_556 . ?
O1 Dy1 N1 146.45(6) . . ?
N1 Dy1 N1 73.02(9) 3_556 . ?
O4 Dy1 N2 82.64(7) 3_556 . ?
O4 Dy1 N2 128.94(7) . . ?
O1 Dy1 N2 69.99(6) 3_556 . ?
O1 Dy1 N2 122.47(6) . . ?
N1 Dy1 N2 89.15(6) 3_556 . ?
N1 Dy1 N2 64.38(6) . . ?
O4 Dy1 N2 128.93(7) 3_556 3_556 ?
O4 Dy1 N2 82.64(7) . 3_556 ?
O1 Dy1 N2 122.47(6) 3_556 3_556 ?
O1 Dy1 N2 69.99(6) . 3_556 ?
N1 Dy1 N2 64.37(6) 3_556 3_556 ?
N1 Dy1 N2 89.15(6) . 3_556 ?
N2 Dy1 N2 147.68(9) . 3_556 ?
O4 Dy1 O2 103.55(7) 3_556 3_556 ?
O4 Dy1 O2 66.48(7) . 3_556 ?
O1 Dy1 O2 50.65(6) 3_556 3_556 ?
O1 Dy1 O2 124.74(6) . 3_556 ?
N1 Dy1 O2 120.93(6) 3_556 3_556 ?
N1 Dy1 O2 68.49(6) . 3_556 ?
N2 Dy1 O2 111.20(6) . 3_556 ?
N2 Dy1 O2 71.91(6) 3_556 3_556 ?
O4 Dy1 O2 66.48(7) 3_556 . ?
O4 Dy1 O2 103.55(7) . . ?
O1 Dy1 O2 124.75(6) 3_556 . ?
O1 Dy1 O2 50.65(6) . . ?
N1 Dy1 O2 68.49(6) 3_556 . ?
N1 Dy1 O2 120.93(6) . . ?
N2 Dy1 O2 71.91(6) . . ?
N2 Dy1 O2 111.19(6) 3_556 . ?
O2 Dy1 O2 169.48(9) 3_556 . ?
O4 Dy1 N4 25.98(5) 3_556 . ?
O4 Dy1 N4 25.98(5) . . ?
O1 Dy1 N4 69.52(4) 3_556 . ?
O1 Dy1 N4 69.52(4) . . ?
N1 Dy1 N4 143.49(4) 3_556 . ?
N1 Dy1 N4 143.49(4) . . ?
N2 Dy1 N4 106.16(4) . . ?
N2 Dy1 N4 106.16(4) 3_556 . ?
O2 Dy1 N4 84.74(4) 3_556 . ?
O2 Dy1 N4 84.74(4) . . ?
O4 Dy1 N3 66.11(6) 3_556 . ?
O4 Dy1 N3 85.70(7) . . ?
O1 Dy1 N3 135.74(6) 3_556 . ?
O1 Dy1 N3 25.45(5) . . ?
N1 Dy1 N3 70.77(6) 3_556 . ?
N1 Dy1 N3 139.32(6) . . ?
N2 Dy1 N3 97.02(6) . . ?
N2 Dy1 N3 91.50(6) 3_556 . ?
O2 Dy1 N3 148.79(6) 3_556 . ?
O2 Dy1 N3 25.27(6) . . ?
N4 Dy1 N3 74.52(4) . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.433
_refine_diff_density_min         -0.366
_refine_diff_density_rms         0.111
####################################################################### 
# 
# 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_xx
_database_code_depnum_ccdc_archive 'CCDC 1483793'
_audit_update_record             
;
2016-06-07 deposited with the CCDC.
2016-08-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H20 Dy2 N10 O18'
_chemical_formula_weight         1013.46

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.4100(17)
_cell_length_b                   8.8610(18)
_cell_length_c                   12.488(3)
_cell_angle_alpha                105.92(3)
_cell_angle_beta                 108.02(3)
_cell_angle_gamma                99.01(3)
_cell_volume                     820.8(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3728
_cell_measurement_theta_min      3.108
_cell_measurement_theta_max      27.482

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.050
_exptl_crystal_F_000             486
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.260
_exptl_absorpt_coefficient_mu    4.608
_shelx_estimated_absorpt_T_min   0.320
_shelx_estimated_absorpt_T_max   0.380
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.25
_exptl_absorpt_correction_T_max  0.31
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8145
_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.108
_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             3728
_reflns_number_gt                3496
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0516P)²+0.6312P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3728
_refine_ls_number_parameters     226
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0294
_refine_ls_wR_factor_ref         0.0816
_refine_ls_wR_factor_gt          0.0786
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.074
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.35272(2) -0.01929(2) 0.34140(2) 0.03266(8) Uani 1 1 d . . . . .
O1 O 0.3743(5) 0.2241(4) 0.4797(3) 0.0469(7) Uani 1 1 d . . . . .
O2 O 0.3910(8) 0.4487(7) 0.6410(5) 0.1002(17) Uani 1 1 d . . . . .
H2A H 0.4366 0.4840 0.7144 0.150 Uiso 1 1 calc R U . . .
O3 O 0.5308(4) 0.2394(4) 0.6651(3) 0.0455(7) Uani 1 1 d . . . . .
O4 O 0.0924(5) -0.2516(5) 0.2347(4) 0.0623(10) Uani 1 1 d . . . . .
O5 O 0.0441(5) -0.0329(6) 0.3209(4) 0.0674(11) Uani 1 1 d . . . . .
O6 O -0.1671(6) -0.2516(8) 0.2284(5) 0.0881(16) Uani 1 1 d . . . . .
O7 O 0.6610(4) 0.0845(4) 0.4936(3) 0.0413(6) Uani 1 1 d . . . . .
O8 O 0.6029(4) 0.1376(5) 0.3280(3) 0.0499(8) Uani 1 1 d . . . . .
O9 O 0.8920(7) 0.2519(9) 0.4719(6) 0.1002(19) Uani 1 1 d . . . . .
H9A H 0.9571 0.2078 0.5086 0.150 Uiso 1 1 calc R U . . .
N1 N 0.3272(5) -0.1268(5) 0.1213(3) 0.0441(8) Uani 1 1 d . . . . .
N2 N 0.2294(5) 0.1403(5) 0.2088(3) 0.0435(8) Uani 1 1 d . . . . .
N3 N 0.4362(6) 0.2915(5) 0.5925(4) 0.0509(9) Uani 1 1 d . . . . .
N4 N -0.0144(6) -0.1812(6) 0.2607(4) 0.0532(10) Uani 1 1 d . . . . .
N5 N 0.7089(6) 0.1533(6) 0.4283(4) 0.0505(9) Uani 1 1 d . . . . .
C1 C 0.2332(6) 0.1082(6) 0.0982(4) 0.0435(10) Uani 1 1 d . . . . .
C2 C 0.1874(8) 0.2100(8) 0.0331(5) 0.0648(15) Uani 1 1 d . . . . .
H2B H 0.1915 0.1877 -0.0431 0.078 Uiso 1 1 calc R U . . .
C3 C 0.1363(8) 0.3428(8) 0.0818(6) 0.0686(17) Uani 1 1 d . . . . .
H3A H 0.1051 0.4111 0.0387 0.082 Uiso 1 1 calc R U . . .
C4 C 0.1312(7) 0.3746(7) 0.1927(6) 0.0634(14) Uani 1 1 d . . . . .
H4A H 0.0974 0.4651 0.2269 0.076 Uiso 1 1 calc R U . . .
C5 C 0.1767(7) 0.2714(7) 0.2542(5) 0.0546(12) Uani 1 1 d . . . . .
H5A H 0.1710 0.2926 0.3300 0.065 Uiso 1 1 calc R U . . .
C6 C 0.2824(6) -0.0405(6) 0.0489(4) 0.0425(9) Uani 1 1 d . . . . .
C7 C 0.2810(7) -0.0931(7) -0.0672(4) 0.0551(12) Uani 1 1 d . . . . .
H7A H 0.2505 -0.0318 -0.1162 0.066 Uiso 1 1 calc R U . . .
C8 C 0.3240(8) -0.2337(8) -0.1099(4) 0.0620(14) Uani 1 1 d . . . . .
H8A H 0.3252 -0.2677 -0.1870 0.074 Uiso 1 1 calc R U . . .
C9 C 0.3654(8) -0.3238(8) -0.0368(5) 0.0622(14) Uani 1 1 d . . . . .
H9B H 0.3920 -0.4218 -0.0639 0.075 Uiso 1 1 calc R U . . .
C10 C 0.3667(8) -0.2652(7) 0.0785(4) 0.0584(13) Uani 1 1 d . . . . .
H10A H 0.3965 -0.3254 0.1284 0.070 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.304(3) . ?
Dy1 O3 2.308(3) 2_656 ?
Dy1 O7 2.318(3) 2_656 ?
Dy1 O8 2.412(3) . ?
Dy1 O4 2.467(4) . ?
Dy1 O5 2.508(4) . ?
Dy1 O7 2.535(3) . ?
Dy1 N2 2.549(3) . ?
Dy1 N1 2.577(4) . ?
Dy1 N5 2.852(5) . ?
Dy1 N4 2.915(5) . ?
Dy1 Dy1 3.8557(15) 2_656 ?
O1 N3 1.264(5) . ?
O2 N3 1.516(6) . ?
O2 H2A 0.8200 . ?
O3 N3 1.252(5) . ?
O3 Dy1 2.308(3) 2_656 ?
O4 N4 1.243(6) . ?
O5 N4 1.249(7) . ?
O6 N4 1.222(6) . ?
O7 N5 1.264(5) . ?
O7 Dy1 2.318(3) 2_656 ?
O8 N5 1.248(6) . ?
O9 N5 1.494(7) . ?
O9 H9A 0.8200 . ?
N1 C10 1.334(7) . ?
N1 C6 1.343(5) . ?
N2 C1 1.343(6) . ?
N2 C5 1.351(7) . ?
C1 C2 1.393(6) . ?
C1 C6 1.474(7) . ?
C2 C3 1.366(10) . ?
C2 H2B 0.9300 . ?
C3 C4 1.351(9) . ?
C3 H3A 0.9300 . ?
C4 C5 1.373(7) . ?
C4 H4A 0.9300 . ?
C5 H5A 0.9300 . ?
C6 C7 1.391(6) . ?
C7 C8 1.365(9) . ?
C7 H7A 0.9300 . ?
C8 C9 1.373(8) . ?
C8 H8A 0.9300 . ?
C9 C10 1.386(7) . ?
C9 H9B 0.9300 . ?
C10 H10A 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O3 138.62(10) . 2_656 ?
O1 Dy1 O7 75.35(11) . 2_656 ?
O3 Dy1 O7 75.27(11) 2_656 2_656 ?
O1 Dy1 O8 83.12(13) . . ?
O3 Dy1 O8 91.67(13) 2_656 . ?
O7 Dy1 O8 126.62(11) 2_656 . ?
O1 Dy1 O4 125.88(14) . . ?
O3 Dy1 O4 77.69(14) 2_656 . ?
O7 Dy1 O4 82.36(13) 2_656 . ?
O8 Dy1 O4 145.83(13) . . ?
O1 Dy1 O5 76.81(15) . . ?
O3 Dy1 O5 123.42(14) 2_656 . ?
O7 Dy1 O5 77.31(13) 2_656 . ?
O8 Dy1 O5 143.39(13) . . ?
O4 Dy1 O5 50.18(15) . . ?
O1 Dy1 O7 72.24(12) . . ?
O3 Dy1 O7 72.40(11) 2_656 . ?
O7 Dy1 O7 74.87(12) 2_656 . ?
O8 Dy1 O7 52.02(10) . . ?
O4 Dy1 O7 146.04(13) . . ?
O5 Dy1 O7 142.52(13) . . ?
O1 Dy1 N2 77.54(11) . . ?
O3 Dy1 N2 140.64(12) 2_656 . ?
O7 Dy1 N2 141.71(12) 2_656 . ?
O8 Dy1 N2 75.47(12) . . ?
O4 Dy1 N2 92.28(14) . . ?
O5 Dy1 N2 70.51(13) . . ?
O7 Dy1 N2 121.14(11) . . ?
O1 Dy1 N1 137.76(12) . . ?
O3 Dy1 N1 77.50(11) 2_656 . ?
O7 Dy1 N1 146.55(12) 2_656 . ?
O8 Dy1 N1 72.90(13) . . ?
O4 Dy1 N1 73.11(14) . . ?
O5 Dy1 N1 102.49(15) . . ?
O7 Dy1 N1 114.58(11) . . ?
N2 Dy1 N1 63.20(13) . . ?
O1 Dy1 N5 75.61(13) . . ?
O3 Dy1 N5 82.10(13) 2_656 . ?
O7 Dy1 N5 100.96(12) 2_656 . ?
O8 Dy1 N5 25.74(11) . . ?
O4 Dy1 N5 157.97(14) . . ?
O5 Dy1 N5 151.85(14) . . ?
O7 Dy1 N5 26.30(11) . . ?
N2 Dy1 N5 97.90(13) . . ?
N1 Dy1 N5 94.12(13) . . ?
O1 Dy1 N4 101.41(15) . . ?
O3 Dy1 N4 100.37(14) 2_656 . ?
O7 Dy1 N4 78.18(12) 2_656 . ?
O8 Dy1 N4 154.78(11) . . ?
O4 Dy1 N4 24.96(14) . . ?
O5 Dy1 N4 25.23(15) . . ?
O7 Dy1 N4 153.04(10) . . ?
N2 Dy1 N4 81.28(13) . . ?
N1 Dy1 N4 88.06(13) . . ?
N5 Dy1 N4 177.02(12) . . ?
O1 Dy1 Dy1 69.35(8) . 2_656 ?
O3 Dy1 Dy1 69.42(8) 2_656 2_656 ?
O7 Dy1 Dy1 39.39(8) 2_656 2_656 ?
O8 Dy1 Dy1 87.37(8) . 2_656 ?
O4 Dy1 Dy1 117.73(11) . 2_656 ?
O5 Dy1 Dy1 112.93(11) . 2_656 ?
O7 Dy1 Dy1 35.48(6) . 2_656 ?
N2 Dy1 Dy1 144.28(9) . 2_656 ?
N1 Dy1 Dy1 140.81(9) . 2_656 ?
N5 Dy1 Dy1 61.64(9) . 2_656 ?
N4 Dy1 Dy1 117.56(9) . 2_656 ?
N3 O1 Dy1 137.5(3) . . ?
N3 O2 H2A 109.5 . . ?
N3 O3 Dy1 137.7(3) . 2_656 ?
N4 O4 Dy1 98.1(3) . . ?
N4 O5 Dy1 95.9(3) . . ?
N5 O7 Dy1 162.3(3) . 2_656 ?
N5 O7 Dy1 91.0(3) . . ?
Dy1 O7 Dy1 105.13(12) 2_656 . ?
N5 O8 Dy1 97.2(3) . . ?
N5 O9 H9A 109.5 . . ?
C10 N1 C6 118.4(4) . . ?
C10 N1 Dy1 120.8(3) . . ?
C6 N1 Dy1 120.7(3) . . ?
C1 N2 C5 118.5(4) . . ?
C1 N2 Dy1 121.3(3) . . ?
C5 N2 Dy1 119.8(3) . . ?
O3 N3 O1 125.4(4) . . ?
O3 N3 O2 118.6(4) . . ?
O1 N3 O2 116.0(4) . . ?
O6 N4 O4 122.3(6) . . ?
O6 N4 O5 122.0(6) . . ?
O4 N4 O5 115.7(4) . . ?
O6 N4 Dy1 178.4(4) . . ?
O4 N4 Dy1 56.9(3) . . ?
O5 N4 Dy1 58.9(3) . . ?
O8 N5 O7 119.7(4) . . ?
O8 N5 O9 120.7(4) . . ?
O7 N5 O9 119.6(4) . . ?
O8 N5 Dy1 57.0(2) . . ?
O7 N5 Dy1 62.7(2) . . ?
O9 N5 Dy1 176.6(4) . . ?
N2 C1 C2 120.6(5) . . ?
N2 C1 C6 117.0(4) . . ?
C2 C1 C6 122.3(5) . . ?
C3 C2 C1 119.6(6) . . ?
C3 C2 H2B 120.2 . . ?
C1 C2 H2B 120.2 . . ?
C4 C3 C2 119.8(5) . . ?
C4 C3 H3A 120.1 . . ?
C2 C3 H3A 120.1 . . ?
C3 C4 C5 119.1(6) . . ?
C3 C4 H4A 120.5 . . ?
C5 C4 H4A 120.5 . . ?
N2 C5 C4 122.4(5) . . ?
N2 C5 H5A 118.8 . . ?
C4 C5 H5A 118.8 . . ?
N1 C6 C7 120.6(5) . . ?
N1 C6 C1 116.6(4) . . ?
C7 C6 C1 122.8(4) . . ?
C8 C7 C6 120.7(5) . . ?
C8 C7 H7A 119.6 . . ?
C6 C7 H7A 119.6 . . ?
C7 C8 C9 118.6(5) . . ?
C7 C8 H8A 120.7 . . ?
C9 C8 H8A 120.7 . . ?
C8 C9 C10 118.3(5) . . ?
C8 C9 H9B 120.8 . . ?
C10 C9 H9B 120.8 . . ?
N1 C10 C9 123.3(5) . . ?
N1 C10 H10A 118.4 . . ?
C9 C10 H10A 118.4 . . ?

_refine_diff_density_max         1.740
_refine_diff_density_min         -0.795
_refine_diff_density_rms         0.134

####################################################################### 
# 
# 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_x
_database_code_depnum_ccdc_archive 'CCDC 1483794'
_audit_update_record             
;
2016-06-07 deposited with the CCDC.
2016-08-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C108 H128 Dy4 N24 O41'
_chemical_formula_weight         3068.34

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.6605(10)
_cell_length_b                   15.0103(11)
_cell_length_c                   18.5345(14)
_cell_angle_alpha                69.051(2)
_cell_angle_beta                 71.145(2)
_cell_angle_gamma                65.014(2)
_cell_volume                     3149.9(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    12665
_cell_measurement_theta_min      1.201
_cell_measurement_theta_max      26.413

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_F_000             1536
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.260
_exptl_absorpt_coefficient_mu    2.436
_shelx_estimated_absorpt_T_min   0.509
_shelx_estimated_absorpt_T_max   0.570
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.48
_exptl_absorpt_correction_T_max  0.54
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23316
_diffrn_reflns_av_unetI/netI     0.0919
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.201
_diffrn_reflns_theta_max         26.413
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             12665
_reflns_number_gt                8977
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12665
_refine_ls_number_parameters     794
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_gt           0.0545
_refine_ls_wR_factor_ref         0.1789
_refine_ls_wR_factor_gt          0.1536
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.84786(3) 0.49709(3) 0.13764(2) 0.01494(13) Uani 1 1 d . . . . .
Dy2 Dy 0.62999(3) 0.50384(2) 0.36986(2) 0.01273(12) Uani 1 1 d . . . . .
OW1 O 1.0000 0.0000 0.0000 0.140(7) Uiso 1 2 d S . P . .
HW1A H 1.0410 -0.0511 0.0287 0.210 Uiso 0.5 1 d R U P . .
HW1B H 0.9412 -0.0099 0.0045 0.210 Uiso 0.5 1 d R U P . .
O1 O 0.3866(10) 0.2861(9) 0.0984(6) 0.107(4) Uani 1 1 d . . . . .
O2 O 0.1226(9) 0.7795(9) 0.2071(7) 0.098(4) Uani 1 1 d . . . . .
O3 O 0.3446(7) 0.5201(7) 0.2763(5) 0.070(3) Uani 1 1 d . . . . .
O4 O 0.8986(6) 0.4270(6) 0.5003(5) 0.047(2) Uani 1 1 d . . . . .
O5 O 0.3600(7) 0.2971(6) 0.4943(5) 0.054(2) Uani 1 1 d . . . . .
O6 O 0.4412(5) 0.5216(5) 0.3830(4) 0.0323(16) Uani 1 1 d . . . . .
H6A H 0.4352 0.5124 0.3422 0.048 Uiso 1 1 d R U . . .
H6G H 0.3991 0.5811 0.3873 0.048 Uiso 1 1 d R U . . .
O7 O 1.4066(5) -0.3864(4) 0.5144(3) 0.0234(14) Uani 1 1 d . . . . .
O8 O 1.5173(4) -0.3404(4) 0.4018(3) 0.0202(13) Uani 1 1 d . . . . .
O9 O 0.6474(5) 0.3658(4) 0.3247(3) 0.0255(14) Uani 1 1 d . . . . .
O10 O 1.0114(5) 0.3724(4) 0.1031(3) 0.0295(16) Uani 1 1 d . . . . .
O11 O 0.9228(5) 0.4295(4) 0.2492(3) 0.0251(14) Uani 1 1 d . . . . .
O12 O 0.7710(5) 0.3792(4) 0.2126(3) 0.0251(14) Uani 1 1 d . . . . .
O13 O 0.9089(5) 0.6028(4) 0.0235(3) 0.0231(14) Uani 1 1 d . . . . .
O14 O 0.6940(5) 0.5215(4) 0.4721(3) 0.0246(14) Uani 1 1 d . . . . .
H14A H 0.7626 0.5121 0.4573 0.037 Uiso 1 1 d R U . . .
H14E H 0.6588 0.5809 0.4789 0.037 Uiso 1 1 d R U . . .
O15 O 0.8228(6) 0.6379(4) 0.1770(3) 0.0299(16) Uani 1 1 d . . . . .
O16 O 0.6701(5) 0.6056(4) 0.1205(4) 0.0296(15) Uani 1 1 d . . . . .
O17 O 0.5875(5) 0.5828(4) 0.2460(3) 0.0301(16) Uani 1 1 d . . . . .
O18 O 0.7332(5) 0.6088(4) 0.3012(4) 0.0322(16) Uani 1 1 d . . . . .
O19 O 0.8143(4) 0.3913(4) 0.3661(4) 0.0235(14) Uani 1 1 d . . . . .
O20 O 0.8159(6) 0.4459(5) 0.0433(4) 0.0371(17) Uani 1 1 d . . . . .
N1 N 0.4970(8) 0.1244(8) 0.1420(6) 0.052(3) Uani 1 1 d . . . . .
N2 N 0.0848(9) 0.8570(9) 0.3043(6) 0.059(3) Uani 1 1 d . . . . .
N3 N 0.4229(8) 0.5456(7) 0.1445(6) 0.048(2) Uani 1 1 d . . . . .
N4 N 0.9868(8) 0.3968(7) 0.5960(6) 0.049(3) Uani 1 1 d . . . . .
N5 N 0.3801(9) 0.2265(8) 0.4005(6) 0.057(3) Uani 1 1 d . . . . .
N6 N 0.4294(6) 0.8845(5) 0.0576(4) 0.0295(19) Uani 1 1 d . . . . .
N7 N 0.1873(6) 1.0642(5) 0.1463(4) 0.0291(19) Uani 1 1 d . . . . .
N8 N 0.8121(8) 0.0955(6) 0.1984(5) 0.043(2) Uani 1 1 d . . . . .
N9 N 0.7047(7) -0.1128(6) 0.3188(5) 0.037(2) Uani 1 1 d . . . . .
N10 N 1.3236(6) -0.0392(5) 0.3682(4) 0.0280(19) Uani 1 1 d . . . . .
N11 N 1.0646(6) 0.1296(5) 0.4478(4) 0.0250(17) Uani 1 1 d . . . . .
N12 N 0.8349(8) 0.4614(7) -0.0864(5) 0.046(2) Uani 1 1 d . . . . .
C1 C 0.5043(12) 0.0241(11) 0.1791(9) 0.078(5) Uani 1 1 d . . . . .
H1A H 0.5797 -0.0175 0.1819 0.117 Uiso 1 1 calc R U . . .
H1B H 0.4599 0.0198 0.2315 0.117 Uiso 1 1 calc R U . . .
H1C H 0.4782 0.0005 0.1496 0.117 Uiso 1 1 calc R U . . .
C2 C 0.5943(12) 0.1490(12) 0.1113(9) 0.100(7) Uani 1 1 d . . . . .
H2A H 0.6567 0.0891 0.1239 0.150 Uiso 1 1 calc R U . . .
H2B H 0.6032 0.1751 0.0550 0.150 Uiso 1 1 calc R U . . .
H2C H 0.5889 0.1997 0.1340 0.150 Uiso 1 1 calc R U . . .
C3 C 0.4029(13) 0.1957(12) 0.1311(7) 0.074(5) Uani 1 1 d . . . . .
H3A H 0.3413 0.1760 0.1503 0.089 Uiso 1 1 calc R U . . .
C4 C 0.0321(12) 0.9471(11) 0.3313(8) 0.075(4) Uani 1 1 d . . . . .
H4A H 0.0470 0.9332 0.3822 0.112 Uiso 1 1 calc R U . . .
H4B H 0.0598 0.9992 0.2947 0.112 Uiso 1 1 calc R U . . .
H4C H -0.0461 0.9696 0.3353 0.112 Uiso 1 1 calc R U . . .
C5 C 0.0779(12) 0.8544(12) 0.2346(9) 0.072(4) Uani 1 1 d . . . . .
H5A H 0.0357 0.9142 0.2043 0.087 Uiso 1 1 calc R U . . .
C6 C 0.1600(11) 0.7700(10) 0.3503(7) 0.070(4) Uani 1 1 d . . . . .
H6C H 0.1550 0.7841 0.3982 0.106 Uiso 1 1 calc R U . . .
H6D H 0.1405 0.7110 0.3627 0.106 Uiso 1 1 calc R U . . .
H6E H 0.2342 0.7576 0.3201 0.106 Uiso 1 1 calc R U . . .
C7 C 0.4117(12) 0.6089(10) 0.0667(7) 0.071(4) Uani 1 1 d . . . . .
H7B H 0.4727 0.5786 0.0289 0.106 Uiso 1 1 calc R U . . .
H7C H 0.3440 0.6156 0.0565 0.106 Uiso 1 1 calc R U . . .
H7D H 0.4108 0.6748 0.0625 0.106 Uiso 1 1 calc R U . . .
C8 C 0.3463(10) 0.5716(10) 0.2094(7) 0.054(3) Uani 1 1 d . . . . .
H8B H 0.2905 0.6349 0.2011 0.065 Uiso 1 1 calc R U . . .
C9 C 0.5074(11) 0.4473(10) 0.1539(9) 0.072(4) Uani 1 1 d . . . . .
H9B H 0.5545 0.4403 0.1035 0.109 Uiso 1 1 calc R U . . .
H9C H 0.5502 0.4400 0.1892 0.109 Uiso 1 1 calc R U . . .
H9D H 0.4743 0.3958 0.1752 0.109 Uiso 1 1 calc R U . . .
C10 C 0.9862(14) 0.4277(13) 0.6621(8) 0.094(6) Uani 1 1 d . . . . .
H10B H 1.0525 0.3850 0.6820 0.141 Uiso 1 1 calc R U . . .
H10C H 0.9826 0.4972 0.6448 0.141 Uiso 1 1 calc R U . . .
H10D H 0.9233 0.4212 0.7031 0.141 Uiso 1 1 calc R U . . .
C11 C 0.9016(9) 0.4466(9) 0.5596(7) 0.053(3) Uani 1 1 d . . . . .
H11B H 0.8420 0.4980 0.5791 0.063 Uiso 1 1 calc R U . . .
C12 C 1.0789(10) 0.3120(10) 0.5720(9) 0.077(5) Uani 1 1 d . . . . .
H12A H 1.1316 0.2862 0.6050 0.116 Uiso 1 1 calc R U . . .
H12B H 1.0530 0.2592 0.5771 0.116 Uiso 1 1 calc R U . . .
H12C H 1.1131 0.3342 0.5181 0.116 Uiso 1 1 calc R U . . .
C13 C 0.3912(14) 0.2383(13) 0.3116(9) 0.094(5) Uani 1 1 d . . . . .
H13A H 0.3944 0.1764 0.3050 0.140 Uiso 1 1 calc R U . . .
H13B H 0.3285 0.2934 0.2932 0.140 Uiso 1 1 calc R U . . .
H13C H 0.4574 0.2523 0.2818 0.140 Uiso 1 1 calc R U . . .
C14 C 0.352(2) 0.1419(13) 0.4498(10) 0.165(11) Uani 1 1 d . . . . .
H14B H 0.3631 0.0978 0.4189 0.247 Uiso 1 1 calc R U . . .
H14C H 0.3984 0.1059 0.4882 0.247 Uiso 1 1 calc R U . . .
H14D H 0.2765 0.1637 0.4762 0.247 Uiso 1 1 calc R U . . .
C15 C 0.3740(9) 0.3006(9) 0.4257(7) 0.046(3) Uani 1 1 d . . . . .
C16 C 0.9243(7) 0.6577(6) -0.0442(5) 0.0204(19) Uani 1 1 d . . . . .
C17 C 0.5941(6) 0.6327(6) 0.1761(5) 0.0185(18) Uani 1 1 d . . . . .
C18 C 0.3515(7) 0.9245(6) 0.1152(5) 0.0223(19) Uani 1 1 d . . . . .
C19 C 0.5031(7) 0.7908(6) 0.0777(5) 0.025(2) Uani 1 1 d . . . . .
H19A H 0.5552 0.7623 0.0378 0.030 Uiso 1 1 calc R U . . .
C20 C 0.5048(7) 0.7345(6) 0.1557(5) 0.0207(18) Uani 1 1 d . . . . .
C21 C 0.4225(8) 0.7754(6) 0.2160(5) 0.030(2) Uani 1 1 d . . . . .
H21A H 0.4198 0.7386 0.2685 0.036 Uiso 1 1 calc R U . . .
C22 C 0.3459(8) 0.8712(7) 0.1954(5) 0.033(2) Uani 1 1 d . . . . .
H22A H 0.2912 0.9003 0.2340 0.040 Uiso 1 1 calc R U . . .
C23 C 0.2756(7) 1.0304(6) 0.0910(5) 0.0210(19) Uani 1 1 d . . . . .
C24 C 0.1240(7) 1.1628(6) 0.1280(5) 0.023(2) Uani 1 1 d . . . . .
H24A H 0.0623 1.1866 0.1655 0.028 Uiso 1 1 calc R U . . .
C25 C 0.1445(7) 1.2299(6) 0.0578(5) 0.0193(18) Uani 1 1 d . . . . .
C26 C 0.2325(7) 1.1936(6) 0.0004(5) 0.026(2) Uani 1 1 d . . . . .
H26A H 0.2469 1.2371 -0.0489 0.031 Uiso 1 1 calc R U . . .
C27 C 0.2996(7) 1.0916(6) 0.0169(5) 0.026(2) Uani 1 1 d . . . . .
H27A H 0.3589 1.0655 -0.0210 0.031 Uiso 1 1 calc R U . . .
C28 C 0.7140(7) 0.3340(6) 0.2675(5) 0.0215(19) Uani 1 1 d . . . . .
C29 C 0.7550(7) 0.0397(6) 0.2601(5) 0.024(2) Uani 1 1 d . . . . .
C30 C 0.7976(8) 0.1917(7) 0.2012(6) 0.032(2) Uani 1 1 d . . . . .
H30A H 0.8342 0.2309 0.1596 0.038 Uiso 1 1 calc R U . . .
C31 C 0.7296(7) 0.2301(6) 0.2647(5) 0.0233(19) Uani 1 1 d . . . . .
C32 C 0.6772(8) 0.1691(6) 0.3276(5) 0.031(2) Uani 1 1 d . . . . .
H32A H 0.6338 0.1932 0.3716 0.037 Uiso 1 1 calc R U . . .
C33 C 0.6885(7) 0.0744(6) 0.3259(5) 0.024(2) Uani 1 1 d . . . . .
H33A H 0.6526 0.0348 0.3676 0.029 Uiso 1 1 calc R U . . .
C34 C 0.7628(7) -0.0583(6) 0.2562(5) 0.0232(19) Uani 1 1 d . . . . .
C35 C 0.7102(7) -0.2038(6) 0.3129(5) 0.026(2) Uani 1 1 d . . . . .
H35A H 0.6726 -0.2421 0.3544 0.031 Uiso 1 1 calc R U . . .
C36 C 0.7705(7) -0.2398(6) 0.2464(5) 0.0191(18) Uani 1 1 d . . . . .
C37 C 0.8284(8) -0.1817(6) 0.1844(6) 0.031(2) Uani 1 1 d . . . . .
H37A H 0.8691 -0.2046 0.1395 0.037 Uiso 1 1 calc R U . . .
C38 C 0.8253(7) -0.0912(6) 0.1896(5) 0.026(2) Uani 1 1 d . . . . .
H38A H 0.8644 -0.0533 0.1491 0.031 Uiso 1 1 calc R U . . .
C39 C 0.7758(6) 0.6606(6) 0.2412(5) 0.0184(18) Uani 1 1 d . . . . .
C40 C 0.9039(6) 0.3751(6) 0.3182(5) 0.0179(18) Uani 1 1 d . . . . .
C41 C 1.1521(7) 0.0934(6) 0.3928(5) 0.0204(19) Uani 1 1 d . . . . .
C42 C 0.9906(7) 0.2220(7) 0.4228(5) 0.031(2) Uani 1 1 d . . . . .
H42A H 0.9306 0.2490 0.4600 0.037 Uiso 1 1 calc R U . . .
C43 C 0.9988(7) 0.2792(6) 0.3444(5) 0.0188(18) Uani 1 1 d . . . . .
C44 C 1.0902(7) 0.2430(6) 0.2893(5) 0.027(2) Uani 1 1 d . . . . .
H44A H 1.1001 0.2807 0.2370 0.033 Uiso 1 1 calc R U . . .
C45 C 1.1668(7) 0.1482(6) 0.3147(5) 0.028(2) Uani 1 1 d . . . . .
H45A H 1.2290 0.1212 0.2788 0.034 Uiso 1 1 calc R U . . .
C46 C 1.2282(7) -0.0118(6) 0.4185(5) 0.0176(18) Uani 1 1 d . . . . .
C47 C 1.3881(7) -0.1364(6) 0.3840(5) 0.024(2) Uani 1 1 d . . . . .
H47A H 1.4557 -0.1554 0.3497 0.028 Uiso 1 1 calc R U . . .
C48 C 1.3618(6) -0.2105(6) 0.4475(5) 0.0168(17) Uani 1 1 d . . . . .
C49 C 1.2652(7) -0.1800(6) 0.5018(5) 0.023(2) Uani 1 1 d . . . . .
H49A H 1.2465 -0.2263 0.5480 0.028 Uiso 1 1 calc R U . . .
C50 C 1.1977(7) -0.0792(6) 0.4859(5) 0.025(2) Uani 1 1 d . . . . .
H50A H 1.1317 -0.0572 0.5208 0.030 Uiso 1 1 calc R U . . .
C51 C 1.4353(6) -0.3217(6) 0.4560(5) 0.0161(17) Uani 1 1 d . . . . .
C52 C 0.8005(9) 0.4959(8) -0.0224(7) 0.044(3) Uani 1 1 d . . . . .
H52A H 0.7609 0.5652 -0.0287 0.052 Uiso 1 1 calc R U . . .
C53 C 0.9026(12) 0.3526(11) -0.0790(8) 0.083(5) Uani 1 1 d . . . . .
H53A H 0.9217 0.3378 -0.1291 0.125 Uiso 1 1 calc R U . . .
H53B H 0.9687 0.3377 -0.0623 0.125 Uiso 1 1 calc R U . . .
H53C H 0.8615 0.3115 -0.0407 0.125 Uiso 1 1 calc R U . . .
C54 C 0.8211(11) 0.5290(11) -0.1668(7) 0.080(5) Uani 1 1 d . . . . .
H54A H 0.8516 0.4885 -0.2041 0.120 Uiso 1 1 calc R U . . .
H54B H 0.7441 0.5658 -0.1668 0.120 Uiso 1 1 calc R U . . .
H54C H 0.8589 0.5761 -0.1811 0.120 Uiso 1 1 calc R U . . .


_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 O12 2.244(5) . ?
Dy1 O13 2.295(5) . ?
Dy1 O10 2.303(6) . ?
Dy1 O11 2.312(6) . ?
Dy1 O16 2.331(6) . ?
Dy1 O15 2.333(6) . ?
Dy1 O20 2.361(7) . ?
Dy2 O7 2.304(5) 2_756 ?
Dy2 O17 2.311(6) . ?
Dy2 O18 2.317(6) . ?
Dy2 O8 2.355(5) 1_465 ?
Dy2 O19 2.361(5) . ?
Dy2 O9 2.397(6) . ?
Dy2 O6 2.416(6) . ?
Dy2 O14 2.460(6) . ?
OW1 HW1A 0.8500 . ?
OW1 HW1B 0.8500 . ?
O1 C3 1.226(16) . ?
O2 C5 1.234(17) . ?
O3 C8 1.203(13) . ?
O4 C11 1.252(14) . ?
O5 C15 1.209(13) . ?
O6 H6A 0.8499 . ?
O6 H6G 0.8501 . ?
O7 C51 1.251(9) . ?
O7 Dy2 2.303(5) 2_756 ?
O8 C51 1.245(9) . ?
O8 Dy2 2.355(5) 1_645 ?
O9 C28 1.246(10) . ?
O10 C16 1.251(10) 2_765 ?
O11 C40 1.259(9) . ?
O12 C28 1.242(10) . ?
O13 C16 1.239(9) . ?
O14 H14A 0.8500 . ?
O14 H14E 0.8500 . ?
O15 C39 1.248(10) . ?
O16 C17 1.249(10) . ?
O17 C17 1.239(10) . ?
O18 C39 1.235(10) . ?
O19 C40 1.244(10) . ?
O20 C52 1.211(12) . ?
N1 C3 1.300(16) . ?
N1 C1 1.389(15) . ?
N1 C2 1.415(15) . ?
N2 C5 1.341(16) . ?
N2 C4 1.424(16) . ?
N2 C6 1.457(15) . ?
N3 C8 1.368(15) . ?
N3 C7 1.430(13) . ?
N3 C9 1.431(15) . ?
N4 C11 1.334(13) . ?
N4 C12 1.445(15) . ?
N4 C10 1.454(15) . ?
N5 C15 1.316(14) . ?
N5 C14 1.394(18) . ?
N5 C13 1.555(16) . ?
N6 C19 1.342(10) . ?
N6 C18 1.348(11) . ?
N7 C24 1.342(10) . ?
N7 C23 1.348(11) . ?
N8 C29 1.381(12) . ?
N8 C30 1.391(12) . ?
N9 C35 1.378(11) . ?
N9 C34 1.385(11) . ?
N10 C47 1.329(10) . ?
N10 C46 1.332(10) . ?
N11 C41 1.351(11) . ?
N11 C42 1.349(10) . ?
N12 C52 1.331(14) . ?
N12 C53 1.479(15) . ?
N12 C54 1.491(14) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9300 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9300 . ?
C6 H6C 0.9600 . ?
C6 H6D 0.9600 . ?
C6 H6E 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C7 H7D 0.9600 . ?
C8 H8B 0.9300 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C9 H9D 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C10 H10D 0.9600 . ?
C11 H11B 0.9300 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C14 H14D 0.9600 . ?
C16 O10 1.251(10) 2_765 ?
C16 C25 1.517(10) 2_675 ?
C17 C20 1.508(11) . ?
C18 C22 1.407(12) . ?
C18 C23 1.484(11) . ?
C19 C20 1.391(11) . ?
C19 H19A 0.9300 . ?
C20 C21 1.409(12) . ?
C21 C22 1.380(11) . ?
C21 H21A 0.9300 . ?
C22 H22A 0.9300 . ?
C23 C27 1.378(11) . ?
C24 C25 1.361(11) . ?
C24 H24A 0.9300 . ?
C25 C26 1.381(11) . ?
C25 C16 1.517(10) 2_675 ?
C26 C27 1.393(11) . ?
C26 H26A 0.9300 . ?
C27 H27A 0.9300 . ?
C28 C31 1.500(11) . ?
C29 C33 1.386(12) . ?
C29 C34 1.456(12) . ?
C30 C31 1.380(12) . ?
C30 H30A 0.9300 . ?
C31 C32 1.400(12) . ?
C32 C33 1.373(11) . ?
C32 H32A 0.9300 . ?
C33 H33A 0.9300 . ?
C34 C38 1.376(12) . ?
C35 C36 1.390(12) . ?
C35 H35A 0.9300 . ?
C36 C37 1.409(11) . ?
C36 C39 1.503(11) 1_545 ?
C37 C38 1.378(12) . ?
C37 H37A 0.9300 . ?
C38 H38A 0.9300 . ?
C39 C36 1.503(11) 1_565 ?
C40 C43 1.523(10) . ?
C41 C45 1.382(11) . ?
C41 C46 1.482(10) . ?
C42 C43 1.395(11) . ?
C42 H42A 0.9300 . ?
C43 C44 1.378(12) . ?
C44 C45 1.387(11) . ?
C44 H44A 0.9300 . ?
C45 H45A 0.9300 . ?
C46 C50 1.369(11) . ?
C47 C48 1.371(11) . ?
C47 H47A 0.9300 . ?
C48 C49 1.387(11) . ?
C48 C51 1.522(10) . ?
C49 C50 1.380(11) . ?
C49 H49A 0.9300 . ?
C50 H50A 0.9300 . ?
C52 H52A 0.9300 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?

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
O12 Dy1 O13 156.8(2) . . ?
O12 Dy1 O10 90.8(2) . . ?
O13 Dy1 O10 85.23(19) . . ?
O12 Dy1 O11 76.3(2) . . ?
O13 Dy1 O11 124.5(2) . . ?
O10 Dy1 O11 76.7(2) . . ?
O12 Dy1 O16 86.2(2) . . ?
O13 Dy1 O16 86.3(2) . . ?
O10 Dy1 O16 151.1(2) . . ?
O11 Dy1 O16 129.9(2) . . ?
O12 Dy1 O15 123.1(2) . . ?
O13 Dy1 O15 76.1(2) . . ?
O10 Dy1 O15 127.8(2) . . ?
O11 Dy1 O15 75.1(2) . . ?
O16 Dy1 O15 76.3(2) . . ?
O12 Dy1 O20 77.2(2) . . ?
O13 Dy1 O20 79.7(2) . . ?
O10 Dy1 O20 75.3(2) . . ?
O11 Dy1 O20 140.8(2) . . ?
O16 Dy1 O20 75.9(2) . . ?
O15 Dy1 O20 144.0(2) . . ?
O7 Dy2 O17 142.3(2) 2_756 . ?
O7 Dy2 O18 145.5(2) 2_756 . ?
O17 Dy2 O18 72.1(2) . . ?
O7 Dy2 O8 102.49(19) 2_756 1_465 ?
O17 Dy2 O8 86.6(2) . 1_465 ?
O18 Dy2 O8 76.2(2) . 1_465 ?
O7 Dy2 O19 84.1(2) 2_756 . ?
O17 Dy2 O19 112.9(2) . . ?
O18 Dy2 O19 76.2(2) . . ?
O8 Dy2 O19 138.8(2) 1_465 . ?
O7 Dy2 O9 77.0(2) 2_756 . ?
O17 Dy2 O9 76.6(2) . . ?
O18 Dy2 O9 122.0(2) . . ?
O8 Dy2 O9 148.2(2) 1_465 . ?
O19 Dy2 O9 73.0(2) . . ?
O7 Dy2 O6 75.1(2) 2_756 . ?
O17 Dy2 O6 72.8(2) . . ?
O18 Dy2 O6 134.1(2) . . ?
O8 Dy2 O6 73.0(2) 1_465 . ?
O19 Dy2 O6 146.1(2) . . ?
O9 Dy2 O6 76.3(2) . . ?
O7 Dy2 O14 71.9(2) 2_756 . ?
O17 Dy2 O14 143.8(2) . . ?
O18 Dy2 O14 75.5(2) . . ?
O8 Dy2 O14 70.35(19) 1_465 . ?
O19 Dy2 O14 73.5(2) . . ?
O9 Dy2 O14 136.0(2) . . ?
O6 Dy2 O14 122.8(2) . . ?
HW1A OW1 HW1B 109.5 . . ?
Dy2 O6 H6A 109.2 . . ?
Dy2 O6 H6G 109.3 . . ?
H6A O6 H6G 109.5 . . ?
C51 O7 Dy2 172.1(6) . 2_756 ?
C51 O8 Dy2 129.6(5) . 1_645 ?
C28 O9 Dy2 128.3(6) . . ?
C16 O10 Dy1 141.4(5) 2_765 . ?
C40 O11 Dy1 137.5(6) . . ?
C28 O12 Dy1 161.3(6) . . ?
C16 O13 Dy1 165.5(6) . . ?
Dy2 O14 H14A 109.3 . . ?
Dy2 O14 H14E 109.2 . . ?
H14A O14 H14E 109.5 . . ?
C39 O15 Dy1 130.5(5) . . ?
C17 O16 Dy1 122.8(6) . . ?
C17 O17 Dy2 159.5(6) . . ?
C39 O18 Dy2 154.6(7) . . ?
C40 O19 Dy2 139.0(5) . . ?
C52 O20 Dy1 127.2(7) . . ?
C3 N1 C1 121.2(12) . . ?
C3 N1 C2 119.0(13) . . ?
C1 N1 C2 119.7(12) . . ?
C5 N2 C4 122.3(13) . . ?
C5 N2 C6 119.9(12) . . ?
C4 N2 C6 117.2(11) . . ?
C8 N3 C7 121.2(11) . . ?
C8 N3 C9 119.1(11) . . ?
C7 N3 C9 119.1(11) . . ?
C11 N4 C12 121.7(11) . . ?
C11 N4 C10 119.1(12) . . ?
C12 N4 C10 119.2(10) . . ?
C15 N5 C14 123.7(13) . . ?
C15 N5 C13 121.8(11) . . ?
C14 N5 C13 112.9(12) . . ?
C19 N6 C18 118.7(8) . . ?
C24 N7 C23 117.4(7) . . ?
C29 N8 C30 118.4(8) . . ?
C35 N9 C34 117.6(8) . . ?
C47 N10 C46 117.6(7) . . ?
C41 N11 C42 116.6(7) . . ?
C52 N12 C53 118.0(10) . . ?
C52 N12 C54 123.2(11) . . ?
C53 N12 C54 118.3(10) . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 H2A 109.5 . . ?
N1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
N1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O1 C3 N1 127.0(16) . . ?
O1 C3 H3A 116.5 . . ?
N1 C3 H3A 116.5 . . ?
N2 C4 H4A 109.5 . . ?
N2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O2 C5 N2 125.7(14) . . ?
O2 C5 H5A 117.2 . . ?
N2 C5 H5A 117.2 . . ?
N2 C6 H6C 109.5 . . ?
N2 C6 H6D 109.5 . . ?
H6C C6 H6D 109.5 . . ?
N2 C6 H6E 109.5 . . ?
H6C C6 H6E 109.5 . . ?
H6D C6 H6E 109.5 . . ?
N3 C7 H7B 109.5 . . ?
N3 C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N3 C7 H7D 109.5 . . ?
H7B C7 H7D 109.5 . . ?
H7C C7 H7D 109.5 . . ?
O3 C8 N3 125.8(14) . . ?
O3 C8 H8B 117.1 . . ?
N3 C8 H8B 117.1 . . ?
N3 C9 H9B 109.5 . . ?
N3 C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N3 C9 H9D 109.5 . . ?
H9B C9 H9D 109.5 . . ?
H9C C9 H9D 109.5 . . ?
N4 C10 H10B 109.5 . . ?
N4 C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N4 C10 H10D 109.5 . . ?
H10B C10 H10D 109.5 . . ?
H10C C10 H10D 109.5 . . ?
O4 C11 N4 122.5(12) . . ?
O4 C11 H11B 118.7 . . ?
N4 C11 H11B 118.7 . . ?
N4 C12 H12A 109.5 . . ?
N4 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N4 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N5 C13 H13A 109.5 . . ?
N5 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N5 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N5 C14 H14B 109.5 . . ?
N5 C14 H14C 109.4 . . ?
H14B C14 H14C 109.5 . . ?
N5 C14 H14D 109.5 . . ?
H14B C14 H14D 109.5 . . ?
H14C C14 H14D 109.5 . . ?
O5 C15 N5 124.4(12) . . ?
O13 C16 O10 125.4(8) . 2_765 ?
O13 C16 C25 117.4(7) . 2_675 ?
O10 C16 C25 117.1(7) 2_765 2_675 ?
O17 C17 O16 124.8(8) . . ?
O17 C17 C20 118.4(7) . . ?
O16 C17 C20 116.7(7) . . ?
N6 C18 C22 121.9(8) . . ?
N6 C18 C23 117.0(7) . . ?
C22 C18 C23 120.9(8) . . ?
N6 C19 C20 122.8(8) . . ?
N6 C19 H19A 118.6 . . ?
C20 C19 H19A 118.6 . . ?
C19 C20 C21 118.7(8) . . ?
C19 C20 C17 121.1(8) . . ?
C21 C20 C17 120.2(7) . . ?
C22 C21 C20 118.6(8) . . ?
C22 C21 H21A 120.7 . . ?
C20 C21 H21A 120.7 . . ?
C21 C22 C18 119.3(8) . . ?
C21 C22 H22A 120.3 . . ?
C18 C22 H22A 120.3 . . ?
N7 C23 C27 122.7(7) . . ?
N7 C23 C18 116.7(7) . . ?
C27 C23 C18 120.5(8) . . ?
N7 C24 C25 123.9(8) . . ?
N7 C24 H24A 118.0 . . ?
C25 C24 H24A 118.0 . . ?
C24 C25 C26 118.1(7) . . ?
C24 C25 C16 120.9(7) . 2_675 ?
C26 C25 C16 120.9(7) . 2_675 ?
C25 C26 C27 119.6(8) . . ?
C25 C26 H26A 120.2 . . ?
C27 C26 H26A 120.2 . . ?
C23 C27 C26 118.1(8) . . ?
C23 C27 H27A 121.0 . . ?
C26 C27 H27A 121.0 . . ?
O12 C28 O9 126.3(8) . . ?
O12 C28 C31 116.1(8) . . ?
O9 C28 C31 117.5(8) . . ?
C33 C29 N8 122.2(8) . . ?
C33 C29 C34 118.3(8) . . ?
N8 C29 C34 119.5(9) . . ?
C31 C30 N8 121.0(9) . . ?
C31 C30 H30A 119.5 . . ?
N8 C30 H30A 119.5 . . ?
C30 C31 C32 118.7(8) . . ?
C30 C31 C28 120.9(8) . . ?
C32 C31 C28 120.4(8) . . ?
C33 C32 C31 121.5(8) . . ?
C33 C32 H32A 119.2 . . ?
C31 C32 H32A 119.2 . . ?
C32 C33 C29 118.1(8) . . ?
C32 C33 H33A 121.0 . . ?
C29 C33 H33A 121.0 . . ?
C38 C34 N9 123.2(8) . . ?
C38 C34 C29 118.4(8) . . ?
N9 C34 C29 118.4(9) . . ?
N9 C35 C36 121.7(8) . . ?
N9 C35 H35A 119.1 . . ?
C36 C35 H35A 119.1 . . ?
C35 C36 C37 118.5(8) . . ?
C35 C36 C39 120.9(7) . 1_545 ?
C37 C36 C39 120.6(8) . 1_545 ?
C38 C37 C36 120.7(9) . . ?
C38 C37 H37A 119.7 . . ?
C36 C37 H37A 119.7 . . ?
C37 C38 C34 118.3(8) . . ?
C37 C38 H38A 120.8 . . ?
C34 C38 H38A 120.8 . . ?
O18 C39 O15 126.2(8) . . ?
O18 C39 C36 116.7(8) . 1_565 ?
O15 C39 C36 117.1(7) . 1_565 ?
O19 C40 O11 126.0(7) . . ?
O19 C40 C43 117.1(7) . . ?
O11 C40 C43 116.9(7) . . ?
N11 C41 C45 122.2(7) . . ?
N11 C41 C46 116.8(7) . . ?
C45 C41 C46 120.9(8) . . ?
N11 C42 C43 123.8(8) . . ?
N11 C42 H42A 118.1 . . ?
C43 C42 H42A 118.1 . . ?
C44 C43 C42 119.0(8) . . ?
C44 C43 C40 119.9(7) . . ?
C42 C43 C40 120.9(7) . . ?
C43 C44 C45 117.4(8) . . ?
C43 C44 H44A 121.3 . . ?
C45 C44 H44A 121.3 . . ?
C41 C45 C44 120.9(8) . . ?
C41 C45 H45A 119.6 . . ?
C44 C45 H45A 119.6 . . ?
N10 C46 C50 122.2(7) . . ?
N10 C46 C41 115.6(7) . . ?
C50 C46 C41 121.9(7) . . ?
N10 C47 C48 124.3(8) . . ?
N10 C47 H47A 117.8 . . ?
C48 C47 H47A 117.8 . . ?
C47 C48 C49 117.3(7) . . ?
C47 C48 C51 120.6(7) . . ?
C49 C48 C51 122.1(7) . . ?
C50 C49 C48 118.5(7) . . ?
C50 C49 H49A 120.7 . . ?
C48 C49 H49A 120.7 . . ?
C46 C50 C49 119.8(8) . . ?
C46 C50 H50A 120.1 . . ?
C49 C50 H50A 120.1 . . ?
O8 C51 O7 125.7(7) . . ?
O8 C51 C48 116.3(7) . . ?
O7 C51 C48 118.0(7) . . ?
O20 C52 N12 126.3(11) . . ?
O20 C52 H52A 116.9 . . ?
N12 C52 H52A 116.9 . . ?
N12 C53 H53A 109.5 . . ?
N12 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
N12 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
N12 C54 H54A 109.5 . . ?
N12 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
N12 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?

_refine_diff_density_max         2.058
_refine_diff_density_min         -1.717
_refine_diff_density_rms         0.198

