# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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 1513711'
_audit_update_record             
;
2016-12-06 deposited with the CCDC.
2016-12-07 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          'not measured'
_chemical_formula_moiety         'C32 H43 Dy N6 O18'
_chemical_formula_sum            'C32 H43 Dy N6 O18'
_chemical_formula_weight         962.22

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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+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                   41.307(2)
_cell_length_b                   7.9070(5)
_cell_length_c                   23.6364(13)
_cell_angle_alpha                90
_cell_angle_beta                 99.9870(10)
_cell_angle_gamma                90
_cell_volume                     7603.0(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8183
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      26.00

_exptl_crystal_description       needle
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.681
_exptl_crystal_F_000             3896
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    2.052
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.630
_exptl_absorpt_correction_T_max  0.663
_exptl_absorpt_process_details   (sadabs;bruker,2000)
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22613
_diffrn_reflns_av_unetI/netI     0.0755
_diffrn_reflns_av_R_equivalents  0.0771
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_h_max       50
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.001
_diffrn_reflns_theta_max         26.027
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             7457
_reflns_number_gt                5817
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0430P)²+15.7420P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7457
_refine_ls_number_parameters     531
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0437
_refine_ls_wR_factor_ref         0.1044
_refine_ls_wR_factor_gt          0.0928
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_restrained_S_all      2.315
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C29 C 0.20501(17) 0.4466(10) 0.2322(3) 0.054(2) Uani 1 1 d . . . . .
H29A H 0.1922 0.4021 0.1976 0.081 Uiso 1 1 calc R U . . .
H29B H 0.2151 0.3552 0.2555 0.081 Uiso 1 1 calc R U . . .
H29C H 0.2217 0.5203 0.2226 0.081 Uiso 1 1 calc R U . . .
O2 O 0.18119(8) -0.1816(5) 0.08206(14) 0.0218(9) Uani 1 1 d . . . . .
Dy1 Dy 0.12823(2) -0.09216(3) 0.09266(2) 0.01413(9) Uani 1 1 d D . . . .
O6 O -0.05505(9) 0.5041(6) 0.16999(15) 0.0310(10) Uani 1 1 d . . . . .
H6 H -0.0577 0.4246 0.1910 0.046 Uiso 1 1 calc R U . . .
O5 O -0.10536(8) 0.5934(5) 0.00354(13) 0.0182(8) Uani 1 1 d . . . . .
O4 O 0.03800(8) 0.1676(5) 0.05595(14) 0.0240(9) Uani 1 1 d D . . . .
H4 H 0.0553 0.1146 0.0600 0.036 Uiso 1 1 calc DR U . . .
O3 O 0.08366(8) -0.0144(5) 0.03068(13) 0.0168(8) Uani 1 1 d . . . . .
O1 O 0.20162(8) -0.4963(6) -0.04749(14) 0.0230(9) Uani 1 1 d . . . . .
H1 H 0.2094 -0.5484 -0.0719 0.035 Uiso 1 1 calc R U . . .
O11 O 0.15927(8) -0.1975(5) 0.18694(15) 0.0245(9) Uani 1 1 d . . . . .
O10 O 0.17067(9) 0.0550(5) 0.16382(15) 0.0268(10) Uani 1 1 d . . . . .
O12 O 0.20018(10) -0.0646(7) 0.23759(18) 0.0471(13) Uani 1 1 d . . . . .
O8 O 0.08790(8) -0.1595(5) 0.15592(15) 0.0215(8) Uani 1 1 d . . . . .
O7 O 0.09965(9) 0.1058(5) 0.15205(15) 0.0260(9) Uani 1 1 d . . . . .
O9 O 0.06659(9) 0.0189(6) 0.20886(15) 0.0285(9) Uani 1 1 d . . . . .
O13 O 0.14266(8) 0.1673(5) 0.05337(16) 0.0203(9) Uani 1 1 d . . . . .
H13 H 0.1311(15) 0.205(9) 0.038(3) 0.030 Uiso 1 1 d . U . . .
O14 O 0.11661(10) -0.3846(5) 0.08809(15) 0.0214(9) Uani 1 1 d . . . . .
H14 H 0.1138(16) -0.422(9) 0.063(3) 0.032 Uiso 1 1 d . U . . .
N4 N -0.05998(10) 0.4838(6) 0.05822(16) 0.0168(9) Uani 1 1 d . . . . .
H4A H -0.0487 0.4698 0.0920 0.020 Uiso 1 1 calc R U . . .
N3 N -0.04876(10) 0.4160(6) 0.01131(17) 0.0159(9) Uani 1 1 d . . . . .
N1 N 0.16304(9) -0.2826(6) -0.00620(17) 0.0182(10) Uani 1 1 d . . . . .
H1A H 0.1656 -0.3433 -0.0353 0.022 Uiso 1 1 calc R U . . .
N2 N 0.13399(9) -0.1916(6) -0.00547(17) 0.0164(10) Uani 1 1 d . . . . .
N6 N 0.17749(10) -0.0676(7) 0.19766(18) 0.0241(11) Uani 1 1 d . . . . .
N5 N 0.08430(10) -0.0112(6) 0.17319(17) 0.0182(10) Uani 1 1 d . . . . .
C10 C 0.07054(11) -0.0079(7) -0.02383(19) 0.0156(11) Uani 1 1 d . . . . .
C9 C 0.08497(11) -0.0890(7) -0.0666(2) 0.0161(11) Uani 1 1 d . . . . .
C14 C 0.06901(12) -0.0816(7) -0.1252(2) 0.0176(11) Uani 1 1 d . . . . .
H14A H 0.0785 -0.1370 -0.1530 0.021 Uiso 1 1 calc R U . . .
C13 C 0.04039(12) 0.0039(7) -0.1416(2) 0.0186(12) Uani 1 1 d . . . . .
H13A H 0.0307 0.0066 -0.1802 0.022 Uiso 1 1 calc R U . . .
C12 C 0.02517(11) 0.0897(7) -0.1001(2) 0.0163(11) Uani 1 1 d . . . . .
C11 C 0.03998(11) 0.0847(7) -0.0416(2) 0.0140(10) Uani 1 1 d . . . . .
C15 C 0.02424(11) 0.1713(7) -0.0008(2) 0.0153(11) Uani 1 1 d . . . . .
C16 C -0.00551(11) 0.2543(7) -0.01835(19) 0.0151(11) Uani 1 1 d . . . . .
C17 C -0.01952(12) 0.2579(7) -0.0772(2) 0.0199(12) Uani 1 1 d . . . . .
H17A H -0.0393 0.3143 -0.0889 0.024 Uiso 1 1 calc R U . . .
C18 C -0.00455(11) 0.1798(7) -0.1174(2) 0.0181(11) Uani 1 1 d . . . . .
H18A H -0.0139 0.1857 -0.1561 0.022 Uiso 1 1 calc R U . . .
C19 C -0.02144(12) 0.3362(7) 0.0245(2) 0.0173(11) Uani 1 1 d . . . . .
H19 H -0.0115 0.3306 0.0629 0.021 Uiso 1 1 calc R U . . .
C20 C -0.08824(11) 0.5710(7) 0.0519(2) 0.0138(11) Uani 1 1 d . . . . .
C21 C -0.09856(12) 0.6347(7) 0.1050(2) 0.0169(11) Uani 1 1 d . . . . .
C26 C -0.12689(12) 0.7344(8) 0.0983(2) 0.0233(13) Uani 1 1 d . . . . .
H26 H -0.1379 0.7576 0.0613 0.028 Uiso 1 1 calc R U . . .
C25 C -0.13906(13) 0.7996(8) 0.1442(2) 0.0275(14) Uani 1 1 d . . . . .
H25 H -0.1581 0.8644 0.1385 0.033 Uiso 1 1 calc R U . . .
C24 C -0.12227(13) 0.7669(8) 0.1994(2) 0.0279(14) Uani 1 1 d . . . . .
H24 H -0.1300 0.8117 0.2309 0.033 Uiso 1 1 calc R U . . .
C23 C -0.09456(13) 0.6698(8) 0.2077(2) 0.0245(13) Uani 1 1 d . . . . .
H23 H -0.0836 0.6487 0.2449 0.029 Uiso 1 1 calc R U . . .
C22 C -0.08260(12) 0.6021(7) 0.1611(2) 0.0195(11) Uani 1 1 d . . . . .
C8 C 0.11551(11) -0.1775(7) -0.0550(2) 0.0161(11) Uani 1 1 d . . . . .
H8 H 0.1227 -0.2294 -0.0860 0.019 Uiso 1 1 calc R U . . .
C7 C 0.18651(12) -0.2709(7) 0.0403(2) 0.0188(11) Uani 1 1 d . . . . .
C6 C 0.21826(12) -0.3562(7) 0.0420(2) 0.0180(11) Uani 1 1 d . . . . .
C1 C 0.22551(12) -0.4633(7) -0.0022(2) 0.0178(11) Uani 1 1 d . . . . .
C2 C 0.25673(12) -0.5331(8) 0.0026(2) 0.0225(12) Uani 1 1 d . . . . .
H2 H 0.2616 -0.6044 -0.0260 0.027 Uiso 1 1 calc R U . . .
C3 C 0.28028(13) -0.4977(8) 0.0491(2) 0.0278(14) Uani 1 1 d . . . . .
H3A H 0.3011 -0.5445 0.0513 0.033 Uiso 1 1 calc R U . . .
C4 C 0.27395(13) -0.3935(8) 0.0933(2) 0.0290(14) Uani 1 1 d . . . . .
H4B H 0.2902 -0.3711 0.1250 0.035 Uiso 1 1 calc R U . . .
C5 C 0.24287(12) -0.3240(8) 0.0890(2) 0.0233(13) Uani 1 1 d . . . . .
H5 H 0.2383 -0.2539 0.1182 0.028 Uiso 1 1 calc R U . . .
C27 C 0.17298(12) 0.2586(8) 0.0597(2) 0.0274(14) Uani 1 1 d . . . . .
H27A H 0.1761 0.3009 0.0230 0.041 Uiso 1 1 calc R U . . .
H27B H 0.1908 0.1846 0.0748 0.041 Uiso 1 1 calc R U . . .
H27C H 0.1723 0.3515 0.0857 0.041 Uiso 1 1 calc R U . . .
C28 C 0.11040(15) -0.4893(9) 0.1310(2) 0.0337(15) Uani 1 1 d D . . . .
H28A H 0.1105 -0.4247 0.1654 0.051 Uiso 1 1 calc R U . . .
H28B H 0.1271 -0.5750 0.1380 0.051 Uiso 1 1 calc R U . . .
H28C H 0.0893 -0.5416 0.1198 0.051 Uiso 1 1 calc R U . . .
O15 O 0.18423(10) 0.5387(6) 0.26288(17) 0.0347(10) Uani 1 1 d . . . . .
H15A H 0.1774 0.6236 0.2447 0.052 Uiso 1 1 calc R U . . .
C30 C 0.13659(16) 0.2359(10) 0.2855(3) 0.0446(18) Uani 1 1 d . . . . .
H30A H 0.1530 0.2193 0.2619 0.067 Uiso 1 1 calc R U . . .
H30B H 0.1192 0.3049 0.2654 0.067 Uiso 1 1 calc R U . . .
H30C H 0.1279 0.1283 0.2943 0.067 Uiso 1 1 calc R U . . .
O16 O 0.15073(11) 0.3164(7) 0.33668(17) 0.0427(12) Uani 1 1 d . . . . .
H16A H 0.1615 0.3979 0.3292 0.064 Uiso 1 1 calc R U . . .
O17 O 0.21894(10) 0.6372(8) 0.36361(17) 0.0524(15) Uani 1 1 d . . . . .
H17 H 0.2078 0.6001 0.3342 0.079 Uiso 1 1 calc R U . . .
C31 C 0.24733(15) 0.7087(10) 0.3507(3) 0.0435(18) Uani 1 1 d . . . . .
H31A H 0.2572 0.7796 0.3820 0.065 Uiso 1 1 calc R U . . .
H31B H 0.2420 0.7755 0.3164 0.065 Uiso 1 1 calc R U . . .
H31C H 0.2624 0.6209 0.3448 0.065 Uiso 1 1 calc R U . . .
O18 O 0.95134(11) 0.3493(6) 0.26888(17) 0.0424(12) Uani 1 1 d . . . . .
H18 H 0.9416 0.2621 0.2745 0.064 Uiso 1 1 calc R U . . .
C32 C 0.97661(16) 0.3793(10) 0.3155(3) 0.0442(18) Uani 1 1 d . . . . .
H32A H 0.9845 0.4930 0.3135 0.066 Uiso 1 1 calc R U . . .
H32B H 0.9943 0.3014 0.3142 0.066 Uiso 1 1 calc R U . . .
H32C H 0.9684 0.3641 0.3507 0.066 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
C29 O15 1.418(7) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
O2 C7 1.263(6) . ?
O2 Dy1 2.353(3) . ?
Dy1 O3 2.231(3) . ?
Dy1 O14 2.360(4) . ?
Dy1 O13 2.370(4) . ?
Dy1 O8 2.482(3) . ?
Dy1 O10 2.497(4) . ?
Dy1 N2 2.499(4) . ?
Dy1 O11 2.513(3) . ?
Dy1 O7 2.527(4) . ?
O6 C22 1.363(6) . ?
O6 H6 0.8200 . ?
O5 C20 1.247(6) . ?
O4 C15 1.362(5) . ?
O4 H4 0.8200 . ?
O3 C10 1.309(5) . ?
O1 C1 1.350(6) . ?
O1 H1 0.8200 . ?
O11 N6 1.272(6) . ?
O10 N6 1.257(6) . ?
O12 N6 1.209(6) . ?
O8 N5 1.258(6) . ?
O7 N5 1.272(6) . ?
O9 N5 1.232(5) . ?
O13 C27 1.431(6) . ?
O13 H13 0.62(6) . ?
O14 C28 1.368(7) . ?
O14 H14 0.65(6) . ?
N4 C20 1.342(6) . ?
N4 N3 1.382(5) . ?
N4 H4A 0.8600 . ?
N3 C19 1.283(6) . ?
N1 C7 1.337(6) . ?
N1 N2 1.402(5) . ?
N1 H1A 0.8600 . ?
N2 C8 1.288(6) . ?
C10 C9 1.413(7) . ?
C10 C11 1.457(7) . ?
C9 C8 1.426(7) . ?
C9 C14 1.429(6) . ?
C14 C13 1.359(7) . ?
C14 H14A 0.9300 . ?
C13 C12 1.426(7) . ?
C13 H13A 0.9300 . ?
C12 C11 1.412(6) . ?
C12 C18 1.417(7) . ?
C11 C15 1.429(7) . ?
C15 C16 1.392(7) . ?
C16 C17 1.412(6) . ?
C16 C19 1.453(7) . ?
C17 C18 1.367(7) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.482(6) . ?
C21 C26 1.397(7) . ?
C21 C22 1.400(7) . ?
C26 C25 1.373(7) . ?
C26 H26 0.9300 . ?
C25 C24 1.392(7) . ?
C25 H25 0.9300 . ?
C24 C23 1.364(8) . ?
C24 H24 0.9300 . ?
C23 C22 1.390(7) . ?
C23 H23 0.9300 . ?
C8 H8 0.9300 . ?
C7 C6 1.469(7) . ?
C6 C5 1.392(7) . ?
C6 C1 1.416(7) . ?
C1 C2 1.389(7) . ?
C2 C3 1.364(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.391(8) . ?
C3 H3A 0.9300 . ?
C4 C5 1.384(7) . ?
C4 H4B 0.9300 . ?
C5 H5 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
O15 H15A 0.8200 . ?
C30 O16 1.401(7) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
O16 H16A 0.8200 . ?
O17 C31 1.383(7) . ?
O17 H17 0.8200 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
O18 C32 1.401(7) . ?
O18 H18 0.8200 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 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
O15 C29 H29A 109.5 . . ?
O15 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
O15 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C7 O2 Dy1 122.8(3) . . ?
O3 Dy1 O2 133.58(11) . . ?
O3 Dy1 O14 95.85(14) . . ?
O2 Dy1 O14 83.46(14) . . ?
O3 Dy1 O13 74.88(13) . . ?
O2 Dy1 O13 85.22(13) . . ?
O14 Dy1 O13 153.24(13) . . ?
O3 Dy1 O8 83.74(11) . . ?
O2 Dy1 O8 137.16(13) . . ?
O14 Dy1 O8 70.43(13) . . ?
O13 Dy1 O8 131.48(13) . . ?
O3 Dy1 O10 135.80(14) . . ?
O2 Dy1 O10 69.80(12) . . ?
O14 Dy1 O10 126.93(13) . . ?
O13 Dy1 O10 70.47(13) . . ?
O8 Dy1 O10 99.22(12) . . ?
O3 Dy1 N2 71.21(12) . . ?
O2 Dy1 N2 64.33(12) . . ?
O14 Dy1 N2 72.58(13) . . ?
O13 Dy1 N2 80.66(14) . . ?
O8 Dy1 N2 132.35(13) . . ?
O10 Dy1 N2 127.10(12) . . ?
O3 Dy1 O11 155.47(11) . . ?
O2 Dy1 O11 69.76(11) . . ?
O14 Dy1 O11 77.54(13) . . ?
O13 Dy1 O11 120.67(12) . . ?
O8 Dy1 O11 71.76(11) . . ?
O10 Dy1 O11 50.67(13) . . ?
N2 Dy1 O11 127.07(13) . . ?
O3 Dy1 O7 77.43(12) . . ?
O2 Dy1 O7 141.03(12) . . ?
O14 Dy1 O7 121.41(12) . . ?
O13 Dy1 O7 81.67(13) . . ?
O8 Dy1 O7 51.03(12) . . ?
O10 Dy1 O7 71.23(12) . . ?
N2 Dy1 O7 147.05(13) . . ?
O11 Dy1 O7 85.88(12) . . ?
C22 O6 H6 109.5 . . ?
C15 O4 H4 109.5 . . ?
C10 O3 Dy1 144.1(3) . . ?
C1 O1 H1 109.5 . . ?
N6 O11 Dy1 95.9(3) . . ?
N6 O10 Dy1 97.1(3) . . ?
N5 O8 Dy1 97.2(3) . . ?
N5 O7 Dy1 94.6(3) . . ?
C27 O13 Dy1 132.1(3) . . ?
C27 O13 H13 113(7) . . ?
Dy1 O13 H13 115(7) . . ?
C28 O14 Dy1 128.5(4) . . ?
C28 O14 H14 111(6) . . ?
Dy1 O14 H14 119(6) . . ?
C20 N4 N3 121.0(4) . . ?
C20 N4 H4A 119.5 . . ?
N3 N4 H4A 119.5 . . ?
C19 N3 N4 113.5(4) . . ?
C7 N1 N2 117.0(4) . . ?
C7 N1 H1A 121.5 . . ?
N2 N1 H1A 121.5 . . ?
C8 N2 N1 114.0(4) . . ?
C8 N2 Dy1 132.9(3) . . ?
N1 N2 Dy1 113.1(3) . . ?
O12 N6 O10 122.6(5) . . ?
O12 N6 O11 121.5(5) . . ?
O10 N6 O11 115.9(4) . . ?
O9 N5 O8 121.3(5) . . ?
O9 N5 O7 121.6(5) . . ?
O8 N5 O7 117.1(4) . . ?
O3 C10 C9 122.1(4) . . ?
O3 C10 C11 119.6(4) . . ?
C9 C10 C11 118.3(4) . . ?
C10 C9 C8 123.7(4) . . ?
C10 C9 C14 119.6(4) . . ?
C8 C9 C14 116.7(4) . . ?
C13 C14 C9 121.9(4) . . ?
C13 C14 H14A 119.0 . . ?
C9 C14 H14A 119.0 . . ?
C14 C13 C12 120.4(4) . . ?
C14 C13 H13A 119.8 . . ?
C12 C13 H13A 119.8 . . ?
C11 C12 C18 120.2(4) . . ?
C11 C12 C13 119.5(4) . . ?
C18 C12 C13 120.3(4) . . ?
C12 C11 C15 118.5(4) . . ?
C12 C11 C10 120.2(4) . . ?
C15 C11 C10 121.2(4) . . ?
O4 C15 C16 120.0(4) . . ?
O4 C15 C11 119.6(4) . . ?
C16 C15 C11 120.4(4) . . ?
C15 C16 C17 119.6(4) . . ?
C15 C16 C19 119.0(4) . . ?
C17 C16 C19 121.4(4) . . ?
C18 C17 C16 121.2(5) . . ?
C18 C17 H17A 119.4 . . ?
C16 C17 H17A 119.4 . . ?
C17 C18 C12 120.0(4) . . ?
C17 C18 H18A 120.0 . . ?
C12 C18 H18A 120.0 . . ?
N3 C19 C16 122.3(4) . . ?
N3 C19 H19 118.8 . . ?
C16 C19 H19 118.8 . . ?
O5 C20 N4 121.3(4) . . ?
O5 C20 C21 121.8(4) . . ?
N4 C20 C21 116.9(4) . . ?
C26 C21 C22 117.3(4) . . ?
C26 C21 C20 117.0(4) . . ?
C22 C21 C20 125.7(5) . . ?
C25 C26 C21 122.4(5) . . ?
C25 C26 H26 118.8 . . ?
C21 C26 H26 118.8 . . ?
C26 C25 C24 118.7(5) . . ?
C26 C25 H25 120.6 . . ?
C24 C25 H25 120.6 . . ?
C23 C24 C25 120.6(5) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 H24 119.7 . . ?
C24 C23 C22 120.5(5) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
O6 C22 C23 120.0(5) . . ?
O6 C22 C21 119.6(4) . . ?
C23 C22 C21 120.4(5) . . ?
N2 C8 C9 125.5(4) . . ?
N2 C8 H8 117.2 . . ?
C9 C8 H8 117.2 . . ?
O2 C7 N1 118.8(5) . . ?
O2 C7 C6 120.7(4) . . ?
N1 C7 C6 120.5(5) . . ?
C5 C6 C1 118.6(5) . . ?
C5 C6 C7 117.6(5) . . ?
C1 C6 C7 123.8(5) . . ?
O1 C1 C2 121.9(5) . . ?
O1 C1 C6 118.8(4) . . ?
C2 C1 C6 119.3(5) . . ?
C3 C2 C1 120.4(5) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C2 C3 C4 121.7(5) . . ?
C2 C3 H3A 119.1 . . ?
C4 C3 H3A 119.1 . . ?
C5 C4 C3 118.1(5) . . ?
C5 C4 H4B 120.9 . . ?
C3 C4 H4B 120.9 . . ?
C4 C5 C6 121.8(5) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
O13 C27 H27A 109.5 . . ?
O13 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
O13 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O14 C28 H28A 109.5 . . ?
O14 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
O14 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C29 O15 H15A 109.5 . . ?
O16 C30 H30A 109.5 . . ?
O16 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
O16 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C30 O16 H16A 109.5 . . ?
C31 O17 H17 109.5 . . ?
O17 C31 H31A 109.5 . . ?
O17 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
O17 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C32 O18 H18 109.5 . . ?
O18 C32 H32A 109.5 . . ?
O18 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
O18 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?

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
C20 N4 N3 C19 -179.9(5) . . . . ?
C7 N1 N2 C8 165.6(5) . . . . ?
C7 N1 N2 Dy1 -15.1(5) . . . . ?
Dy1 O10 N6 O12 171.7(5) . . . . ?
Dy1 O10 N6 O11 -7.3(4) . . . . ?
Dy1 O11 N6 O12 -171.8(4) . . . . ?
Dy1 O11 N6 O10 7.3(4) . . . . ?
Dy1 O8 N5 O9 -177.2(4) . . . . ?
Dy1 O8 N5 O7 3.0(4) . . . . ?
Dy1 O7 N5 O9 177.3(4) . . . . ?
Dy1 O7 N5 O8 -3.0(4) . . . . ?
Dy1 O3 C10 C9 9.5(9) . . . . ?
Dy1 O3 C10 C11 -170.8(4) . . . . ?
O3 C10 C9 C8 -3.1(8) . . . . ?
C11 C10 C9 C8 177.3(5) . . . . ?
O3 C10 C9 C14 178.2(5) . . . . ?
C11 C10 C9 C14 -1.5(8) . . . . ?
C10 C9 C14 C13 1.1(8) . . . . ?
C8 C9 C14 C13 -177.7(5) . . . . ?
C9 C14 C13 C12 -0.2(8) . . . . ?
C14 C13 C12 C11 -0.3(8) . . . . ?
C14 C13 C12 C18 179.6(5) . . . . ?
C18 C12 C11 C15 0.3(8) . . . . ?
C13 C12 C11 C15 -179.9(5) . . . . ?
C18 C12 C11 C10 180.0(5) . . . . ?
C13 C12 C11 C10 -0.2(8) . . . . ?
O3 C10 C11 C12 -178.6(5) . . . . ?
C9 C10 C11 C12 1.0(7) . . . . ?
O3 C10 C11 C15 1.0(8) . . . . ?
C9 C10 C11 C15 -179.3(5) . . . . ?
C12 C11 C15 O4 179.7(4) . . . . ?
C10 C11 C15 O4 0.0(7) . . . . ?
C12 C11 C15 C16 1.8(7) . . . . ?
C10 C11 C15 C16 -177.8(5) . . . . ?
O4 C15 C16 C17 179.8(5) . . . . ?
C11 C15 C16 C17 -2.3(8) . . . . ?
O4 C15 C16 C19 0.1(7) . . . . ?
C11 C15 C16 C19 177.9(5) . . . . ?
C15 C16 C17 C18 0.6(8) . . . . ?
C19 C16 C17 C18 -179.6(5) . . . . ?
C16 C17 C18 C12 1.6(8) . . . . ?
C11 C12 C18 C17 -2.0(8) . . . . ?
C13 C12 C18 C17 178.2(5) . . . . ?
N4 N3 C19 C16 179.5(5) . . . . ?
C15 C16 C19 N3 179.5(5) . . . . ?
C17 C16 C19 N3 -0.3(8) . . . . ?
N3 N4 C20 O5 0.2(8) . . . . ?
N3 N4 C20 C21 178.4(4) . . . . ?
O5 C20 C21 C26 -5.7(8) . . . . ?
N4 C20 C21 C26 176.1(5) . . . . ?
O5 C20 C21 C22 173.6(5) . . . . ?
N4 C20 C21 C22 -4.6(8) . . . . ?
C22 C21 C26 C25 0.1(8) . . . . ?
C20 C21 C26 C25 179.5(5) . . . . ?
C21 C26 C25 C24 0.9(9) . . . . ?
C26 C25 C24 C23 -1.0(9) . . . . ?
C25 C24 C23 C22 0.1(9) . . . . ?
C24 C23 C22 O6 -179.5(5) . . . . ?
C24 C23 C22 C21 0.9(9) . . . . ?
C26 C21 C22 O6 179.4(5) . . . . ?
C20 C21 C22 O6 0.1(8) . . . . ?
C26 C21 C22 C23 -1.0(8) . . . . ?
C20 C21 C22 C23 179.7(5) . . . . ?
N1 N2 C8 C9 -178.8(5) . . . . ?
Dy1 N2 C8 C9 2.1(8) . . . . ?
C10 C9 C8 N2 -1.7(9) . . . . ?
C14 C9 C8 N2 177.1(5) . . . . ?
Dy1 O2 C7 N1 16.2(7) . . . . ?
Dy1 O2 C7 C6 -165.7(3) . . . . ?
N2 N1 C7 O2 0.9(7) . . . . ?
N2 N1 C7 C6 -177.3(4) . . . . ?
O2 C7 C6 C5 -5.0(8) . . . . ?
N1 C7 C6 C5 173.1(5) . . . . ?
O2 C7 C6 C1 177.5(5) . . . . ?
N1 C7 C6 C1 -4.4(8) . . . . ?
C5 C6 C1 O1 179.3(5) . . . . ?
C7 C6 C1 O1 -3.1(8) . . . . ?
C5 C6 C1 C2 0.1(8) . . . . ?
C7 C6 C1 C2 177.7(5) . . . . ?
O1 C1 C2 C3 -179.8(5) . . . . ?
C6 C1 C2 C3 -0.6(8) . . . . ?
C1 C2 C3 C4 0.8(9) . . . . ?
C2 C3 C4 C5 -0.6(9) . . . . ?
C3 C4 C5 C6 0.1(9) . . . . ?
C1 C6 C5 C4 0.1(8) . . . . ?
C7 C6 C5 C4 -177.6(5) . . . . ?

_refine_diff_density_max         1.613
_refine_diff_density_min         -1.471
_refine_diff_density_rms         0.151

####################################################################### 
# 
# 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 1513712'
_audit_update_record             
;
2016-12-06 deposited with the CCDC.
2016-12-07 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          'not measured'
_chemical_formula_moiety         'C62 H82 Dy2 N12 O36'
_chemical_formula_sum            'C62 H82 Dy2 N12 O36'
_chemical_formula_weight         1896.39

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                   12.324(2)
_cell_length_b                   12.526(2)
_cell_length_c                   12.897(2)
_cell_angle_alpha                95.920(4)
_cell_angle_beta                 106.142(3)
_cell_angle_gamma                94.254(4)
_cell_volume                     1891.2(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3123
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      25.75

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_F_000             958
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_exptl_absorpt_coefficient_mu    2.061
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.629
_exptl_absorpt_correction_T_max  0.649
_exptl_absorpt_process_details   (sadabs;bruker,2000)
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11871
_diffrn_reflns_av_unetI/netI     0.1909
_diffrn_reflns_av_R_equivalents  0.1035
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         1.644
_diffrn_reflns_theta_max         26.085
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             7421
_reflns_number_gt                4898
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0775P)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         7421
_refine_ls_number_parameters     518
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.1192
_refine_ls_R_factor_gt           0.0758
_refine_ls_wR_factor_ref         0.2027
_refine_ls_wR_factor_gt          0.1748
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_restrained_S_all      0.975
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.0853(8) 0.8991(8) 0.9737(9) 0.023(2) Uani 1 1 d . . . . .
H1 H 1.0096 0.9119 0.9606 0.027 Uiso 1 1 calc R U . . .
C2 C 1.1612(8) 0.9373(8) 1.0745(9) 0.026(2) Uani 1 1 d . . . . .
H2 H 1.1376 0.9785 1.1267 0.031 Uiso 1 1 calc R U . . .
C3 C 1.2717(9) 0.9134(8) 1.0960(10) 0.027(2) Uani 1 1 d . . . . .
H3 H 1.3225 0.9367 1.1643 0.032 Uiso 1 1 calc R U . . .
C4 C 1.3085(8) 0.8547(8) 1.0170(9) 0.025(2) Uani 1 1 d . . . . .
H4 H 1.3836 0.8394 1.0330 0.030 Uiso 1 1 calc R U . . .
C5 C 1.2344(8) 0.8187(7) 0.9148(9) 0.019(2) Uani 1 1 d . U . . .
C6 C 1.1189(8) 0.8421(7) 0.8915(9) 0.020(2) Uani 1 1 d . . . . .
C7 C 1.0303(7) 0.8021(7) 0.7890(8) 0.016(2) Uani 1 1 d . . . . .
C8 C 1.0334(8) 0.6802(8) 0.5355(9) 0.023(2) Uani 1 1 d . . . . .
H8 H 1.1110 0.6741 0.5582 0.028 Uiso 1 1 calc R U . . .
C9 C 1.0174(7) 0.5684(7) 0.3619(8) 0.017(2) Uani 1 1 d . . . . .
C10 C 0.9694(8) 0.6381(8) 0.4237(9) 0.021(2) Uani 1 1 d . . . . .
C11 C 0.8597(9) 0.6687(8) 0.3715(10) 0.029(3) Uani 1 1 d . . . . .
H11 H 0.8281 0.7185 0.4099 0.035 Uiso 1 1 calc R U . . .
C12 C 0.8009(8) 0.6279(8) 0.2689(9) 0.024(2) Uani 1 1 d . . . . .
H12 H 0.7280 0.6463 0.2390 0.029 Uiso 1 1 calc R U . . .
C13 C 0.8504(8) 0.5560(8) 0.2054(9) 0.023(2) Uani 1 1 d . . . . .
C14 C 0.9619(8) 0.5276(7) 0.2538(8) 0.019(2) Uani 1 1 d . . . . .
C15 C 1.0121(8) 0.4562(7) 0.1894(9) 0.021(2) Uani 1 1 d . . . . .
C16 C 0.9505(8) 0.4177(7) 0.0820(9) 0.019(2) Uani 1 1 d . U . . .
C17 C 0.8402(8) 0.4493(7) 0.0365(9) 0.023(2) Uani 1 1 d . . . . .
H17 H 0.8008 0.4251 -0.0358 0.027 Uiso 1 1 calc R U . . .
C18 C 0.7921(8) 0.5149(7) 0.0984(9) 0.022(2) Uani 1 1 d . . . . .
H18 H 0.7189 0.5325 0.0685 0.026 Uiso 1 1 calc R U . . .
C19 C 0.9970(8) 0.3487(7) 0.0107(9) 0.020(2) Uani 1 1 d . . . . .
H19 H 0.9538 0.3325 -0.0617 0.024 Uiso 1 1 calc R U . . .
C20 C 1.2088(9) 0.1944(7) -0.0250(9) 0.021(2) Uani 1 1 d . . . . .
C21 C 1.2297(9) 0.1254(7) -0.1144(9) 0.024(2) Uani 1 1 d . . . . .
C22 C 1.3368(9) 0.0863(8) -0.0953(10) 0.026(2) Uani 1 1 d . . . . .
H22 H 1.3893 0.1044 -0.0270 0.031 Uiso 1 1 calc R U . . .
C23 C 1.3658(9) 0.0230(8) -0.1730(9) 0.024(2) Uani 1 1 d . . . . .
H23 H 1.4378 -0.0002 -0.1586 0.028 Uiso 1 1 calc R U . . .
C24 C 1.2864(9) -0.0069(9) -0.2751(10) 0.032(3) Uani 1 1 d . . . . .
H24 H 1.3049 -0.0515 -0.3285 0.039 Uiso 1 1 calc R U . . .
C25 C 1.1810(9) 0.0298(8) -0.2963(10) 0.028(3) Uani 1 1 d . . . . .
H25 H 1.1285 0.0101 -0.3643 0.034 Uiso 1 1 calc R U . . .
C26 C 1.1530(8) 0.0948(7) -0.2183(9) 0.022(2) Uani 1 1 d . . . . .
C27 C 0.6567(11) 0.4215(10) 0.3799(13) 0.053(4) Uani 1 1 d . . . . .
H27A H 0.6052 0.4459 0.4188 0.080 Uiso 1 1 calc R U . . .
H27B H 0.6259 0.4277 0.3040 0.080 Uiso 1 1 calc R U . . .
H27C H 0.7286 0.4650 0.4080 0.080 Uiso 1 1 calc R U . . .
C28 C 0.5023(11) 0.3501(11) 0.0069(12) 0.053(4) Uani 1 1 d . . . . .
H28A H 0.4797 0.4167 0.0336 0.079 Uiso 1 1 calc R U . . .
H28B H 0.4429 0.3152 -0.0551 0.079 Uiso 1 1 calc R U . . .
H28C H 0.5703 0.3647 -0.0141 0.079 Uiso 1 1 calc R U . . .
C29 C 0.4528(19) 0.1852(19) 0.595(2) 0.125(8) Uani 1 1 d . U . . .
H29A H 0.5338 0.1923 0.6080 0.187 Uiso 1 1 calc R U . . .
H29B H 0.4181 0.1333 0.5319 0.187 Uiso 1 1 calc R U . . .
H29C H 0.4344 0.1616 0.6570 0.187 Uiso 1 1 calc R U . . .
C30 C 0.2388(12) 0.7421(11) 0.3231(14) 0.063(5) Uani 1 1 d . . . . .
H30A H 0.2524 0.7980 0.2811 0.094 Uiso 1 1 calc R U . . .
H30B H 0.1651 0.7037 0.2888 0.094 Uiso 1 1 calc R U . . .
H30C H 0.2957 0.6930 0.3273 0.094 Uiso 1 1 calc R U . . .
C31 C 0.8516(11) -0.0262(9) 0.5777(12) 0.046(3) Uani 1 1 d . . . . .
H31A H 0.8936 -0.0839 0.5611 0.068 Uiso 1 1 calc R U . . .
H31B H 0.7772 -0.0353 0.5265 0.068 Uiso 1 1 calc R U . . .
H31C H 0.8448 -0.0273 0.6500 0.068 Uiso 1 1 calc R U . . .
Dy1 Dy 0.76635(4) 0.69499(4) 0.77982(4) 0.02042(18) Uani 1 1 d . . . . .
N1 N 1.0920(6) 0.3080(6) 0.0384(7) 0.0190(18) Uani 1 1 d . . . . .
N2 N 1.1131(7) 0.2433(7) -0.0469(7) 0.024(2) Uani 1 1 d . . . . .
H2A H 1.0665 0.2350 -0.1114 0.028 Uiso 1 1 calc R U . . .
N3 N 0.9870(6) 0.7254(6) 0.6037(7) 0.0175(18) Uani 1 1 d . U . . .
N4 N 1.0644(7) 0.7616(6) 0.7041(7) 0.022(2) Uani 1 1 d . . . . .
H4A H 1.1357 0.7581 0.7122 0.027 Uiso 1 1 calc R U . . .
N5 N 0.6144(7) 0.5010(7) 0.7672(8) 0.025(2) Uani 1 1 d . . . . .
N6 N 0.5954(7) 0.8407(7) 0.7099(8) 0.025(2) Uani 1 1 d . . . . .
O1 O 1.2664(6) 0.7632(6) 0.8357(6) 0.0278(17) Uani 1 1 d . . . . .
H1A H 1.3320 0.7495 0.8598 0.042 Uiso 1 1 calc R U . . .
O2 O 0.9271(5) 0.8088(5) 0.7797(6) 0.0180(15) Uani 1 1 d . . . . .
O3 O 1.1219(5) 0.5416(5) 0.4138(6) 0.0241(17) Uani 1 1 d . . . . .
H3A H 1.1418 0.4975 0.3731 0.036 Uiso 1 1 calc R U . . .
O4 O 1.1160(5) 0.4319(5) 0.2331(6) 0.0207(15) Uani 1 1 d . . . . .
O5 O 1.2759(6) 0.2095(5) 0.0699(6) 0.0238(16) Uani 1 1 d . . . . .
O6 O 1.0483(6) 0.1326(6) -0.2383(6) 0.0297(18) Uani 1 1 d . . . . .
H6 H 1.0139 0.1174 -0.3030 0.045 Uiso 1 1 calc R U . . .
O7 O 0.5693(5) 0.7417(5) 0.7177(6) 0.0237(16) Uani 1 1 d . . . . .
O8 O 0.7001(6) 0.8714(6) 0.7283(6) 0.0293(18) Uani 1 1 d . . . . .
O9 O 0.5226(6) 0.9011(7) 0.6840(7) 0.039(2) Uani 1 1 d . . . . .
O10 O 0.6604(6) 0.5658(6) 0.8553(6) 0.0285(17) Uani 1 1 d . . . . .
O11 O 0.6379(6) 0.5257(6) 0.6832(7) 0.0293(18) Uani 1 1 d . . . . .
O12 O 0.5523(7) 0.4203(6) 0.7670(8) 0.043(2) Uani 1 1 d . . . . .
O13 O 0.7552(5) 0.6838(5) 0.5961(6) 0.0250(17) Uani 1 1 d . . . . .
H13E H 0.8132 0.6889 0.5767 0.038 Uiso 1 1 d R U . . .
H13D H 0.7019 0.7006 0.5474 0.038 Uiso 1 1 d R U . . .
O14 O 0.6721(6) 0.3119(6) 0.3931(8) 0.039(2) Uani 1 1 d . . . . .
H14 H 0.6100 0.2772 0.3826 0.058 Uiso 1 1 calc R U . . .
O15 O 0.5233(6) 0.2818(6) 0.0898(7) 0.0318(19) Uani 1 1 d . . . . .
H15 H 0.4806 0.2924 0.1277 0.048 Uiso 1 1 calc R U . . .
O16 O 0.4125(9) 0.2845(9) 0.5769(10) 0.071(3) Uani 1 1 d . . . . .
H16 H 0.4573 0.3327 0.6181 0.106 Uiso 1 1 calc R U . . .
O17 O 0.2438(8) 0.7885(7) 0.4287(9) 0.053(3) Uani 1 1 d . . . . .
H17A H 0.2809 0.7532 0.4734 0.079 Uiso 1 1 calc R U . . .
O18 O 0.9100(6) 0.0753(6) 0.5711(7) 0.0313(18) Uani 1 1 d . . . . .
H18A H 0.8675 0.1227 0.5701 0.047 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
C1 C2 1.386(15) . ?
C1 C6 1.392(14) . ?
C1 H1 0.9300 . ?
C2 C3 1.374(14) . ?
C2 H2 0.9300 . ?
C3 C4 1.392(15) . ?
C3 H3 0.9300 . ?
C4 C5 1.386(15) . ?
C4 H4 0.9300 . ?
C5 O1 1.341(11) . ?
C5 C6 1.430(12) . ?
C6 C7 1.473(15) . ?
C7 O2 1.254(10) . ?
C7 N4 1.344(12) . ?
C8 N3 1.284(12) . ?
C8 C10 1.459(15) . ?
C8 H8 0.9300 . ?
C9 O3 1.360(11) . ?
C9 C14 1.393(14) . ?
C9 C10 1.394(12) . ?
C10 C11 1.432(14) . ?
C11 C12 1.346(15) . ?
C11 H11 0.9300 . ?
C12 C13 1.436(14) . ?
C12 H12 0.9300 . ?
C13 C18 1.389(15) . ?
C13 C14 1.431(13) . ?
C14 C15 1.445(13) . ?
C15 O4 1.320(11) . ?
C15 C16 1.396(15) . ?
C16 C17 1.426(13) . ?
C16 C19 1.457(13) . ?
C17 C18 1.366(13) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 N1 1.285(12) . ?
C19 H19 0.9300 . ?
C20 O5 1.259(12) . ?
C20 N2 1.343(12) . ?
C20 C21 1.462(14) . ?
C21 C26 1.404(15) . ?
C21 C22 1.407(13) . ?
C22 C23 1.356(14) . ?
C22 H22 0.9300 . ?
C23 C24 1.400(16) . ?
C23 H23 0.9300 . ?
C24 C25 1.374(14) . ?
C24 H24 0.9300 . ?
C25 C26 1.364(14) . ?
C25 H25 0.9300 . ?
C26 O6 1.373(11) . ?
C27 O14 1.421(13) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 O15 1.419(14) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 O16 1.39(2) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 O17 1.407(17) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 O18 1.437(13) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
Dy1 O4 2.253(6) 2_766 ?
Dy1 O13 2.324(7) . ?
Dy1 O2 2.354(6) . ?
Dy1 O5 2.374(7) 2_766 ?
Dy1 O10 2.447(7) . ?
Dy1 O7 2.471(6) . ?
Dy1 O8 2.502(7) . ?
Dy1 N1 2.509(9) 2_766 ?
Dy1 O11 2.533(7) . ?
Dy1 N6 2.905(8) . ?
Dy1 N5 2.917(8) . ?
N1 N2 1.394(11) . ?
N1 Dy1 2.509(9) 2_766 ?
N2 H2A 0.8600 . ?
N3 N4 1.386(12) . ?
N4 H4A 0.8600 . ?
N5 O12 1.221(11) . ?
N5 O11 1.258(11) . ?
N5 O10 1.286(12) . ?
N6 O9 1.215(10) . ?
N6 O8 1.267(11) . ?
N6 O7 1.280(10) . ?
O1 H1A 0.8200 . ?
O3 H3A 0.8200 . ?
O4 Dy1 2.253(6) 2_766 ?
O5 Dy1 2.374(7) 2_766 ?
O6 H6 0.8200 . ?
O13 H13E 0.8215 . ?
O13 H13D 0.8294 . ?
O14 H14 0.8200 . ?
O15 H15 0.8200 . ?
O16 H16 0.8200 . ?
O17 H17A 0.8200 . ?
O18 H18A 0.8200 . ?

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
C2 C1 C6 122.0(9) . . ?
C2 C1 H1 119.0 . . ?
C6 C1 H1 119.0 . . ?
C3 C2 C1 119.1(10) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C2 C3 C4 120.8(11) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C5 C4 C3 120.8(9) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
O1 C5 C4 122.9(8) . . ?
O1 C5 C6 118.0(9) . . ?
C4 C5 C6 119.1(9) . . ?
C1 C6 C5 118.1(10) . . ?
C1 C6 C7 117.4(8) . . ?
C5 C6 C7 124.3(9) . . ?
O2 C7 N4 120.9(9) . . ?
O2 C7 C6 121.6(8) . . ?
N4 C7 C6 117.5(8) . . ?
N3 C8 C10 122.6(9) . . ?
N3 C8 H8 118.7 . . ?
C10 C8 H8 118.7 . . ?
O3 C9 C14 121.7(8) . . ?
O3 C9 C10 115.9(9) . . ?
C14 C9 C10 122.4(9) . . ?
C9 C10 C11 117.4(10) . . ?
C9 C10 C8 119.6(9) . . ?
C11 C10 C8 122.9(9) . . ?
C12 C11 C10 122.2(9) . . ?
C12 C11 H11 118.9 . . ?
C10 C11 H11 118.9 . . ?
C11 C12 C13 120.1(9) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C18 C13 C14 120.2(9) . . ?
C18 C13 C12 121.0(9) . . ?
C14 C13 C12 118.8(10) . . ?
C9 C14 C13 118.8(9) . . ?
C9 C14 C15 122.4(9) . . ?
C13 C14 C15 118.7(10) . . ?
O4 C15 C16 122.2(8) . . ?
O4 C15 C14 118.8(10) . . ?
C16 C15 C14 119.0(9) . . ?
C15 C16 C17 120.4(9) . . ?
C15 C16 C19 122.2(9) . . ?
C17 C16 C19 117.3(10) . . ?
C18 C17 C16 120.4(10) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C13 121.3(10) . . ?
C17 C18 H18 119.3 . . ?
C13 C18 H18 119.3 . . ?
N1 C19 C16 126.2(10) . . ?
N1 C19 H19 116.9 . . ?
C16 C19 H19 116.9 . . ?
O5 C20 N2 119.5(9) . . ?
O5 C20 C21 123.0(9) . . ?
N2 C20 C21 117.5(10) . . ?
C26 C21 C22 116.8(9) . . ?
C26 C21 C20 126.0(9) . . ?
C22 C21 C20 117.2(10) . . ?
C23 C22 C21 122.2(11) . . ?
C23 C22 H22 118.9 . . ?
C21 C22 H22 118.9 . . ?
C22 C23 C24 119.4(10) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C25 C24 C23 119.9(10) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C26 C25 C24 120.5(11) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C25 C26 O6 121.2(10) . . ?
C25 C26 C21 121.4(9) . . ?
O6 C26 C21 117.4(8) . . ?
O14 C27 H27A 109.5 . . ?
O14 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
O14 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O15 C28 H28A 109.5 . . ?
O15 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
O15 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O16 C29 H29A 109.5 . . ?
O16 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
O16 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O17 C30 H30A 109.5 . . ?
O17 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
O17 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O18 C31 H31A 109.5 . . ?
O18 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
O18 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O4 Dy1 O13 79.3(2) 2_766 . ?
O4 Dy1 O2 81.3(2) 2_766 . ?
O13 Dy1 O2 77.1(2) . . ?
O4 Dy1 O5 132.8(2) 2_766 2_766 ?
O13 Dy1 O5 147.1(2) . 2_766 ?
O2 Dy1 O5 98.3(2) . 2_766 ?
O4 Dy1 O10 87.7(2) 2_766 . ?
O13 Dy1 O10 123.4(3) . . ?
O2 Dy1 O10 154.5(2) . . ?
O5 Dy1 O10 72.7(2) 2_766 . ?
O4 Dy1 O7 145.3(2) 2_766 . ?
O13 Dy1 O7 83.7(2) . . ?
O2 Dy1 O7 123.9(2) . . ?
O5 Dy1 O7 71.9(2) 2_766 . ?
O10 Dy1 O7 76.8(2) . . ?
O4 Dy1 O8 147.6(2) 2_766 . ?
O13 Dy1 O8 76.5(2) . . ?
O2 Dy1 O8 72.6(2) . . ?
O5 Dy1 O8 71.1(2) 2_766 . ?
O10 Dy1 O8 123.7(2) . . ?
O7 Dy1 O8 51.7(2) . . ?
O4 Dy1 N1 70.1(2) 2_766 2_766 ?
O13 Dy1 N1 140.6(2) . 2_766 ?
O2 Dy1 N1 74.4(2) . 2_766 ?
O5 Dy1 N1 64.6(2) 2_766 2_766 ?
O10 Dy1 N1 80.2(2) . 2_766 ?
O7 Dy1 N1 135.1(2) . 2_766 ?
O8 Dy1 N1 118.9(3) . 2_766 ?
O4 Dy1 O11 74.6(2) 2_766 . ?
O13 Dy1 O11 72.2(2) . . ?
O2 Dy1 O11 143.8(2) . . ?
O5 Dy1 O11 118.0(2) 2_766 . ?
O10 Dy1 O11 51.3(3) . . ?
O7 Dy1 O11 71.4(2) . . ?
O8 Dy1 O11 116.9(2) . . ?
N1 Dy1 O11 120.1(2) 2_766 . ?
O4 Dy1 N6 158.8(3) 2_766 . ?
O13 Dy1 N6 79.9(2) . . ?
O2 Dy1 N6 98.3(2) . . ?
O5 Dy1 N6 68.4(2) 2_766 . ?
O10 Dy1 N6 100.1(2) . . ?
O7 Dy1 N6 26.0(2) . . ?
O8 Dy1 N6 25.8(2) . . ?
N1 Dy1 N6 130.5(3) 2_766 . ?
O11 Dy1 N6 94.8(2) . . ?
O4 Dy1 N5 80.2(2) 2_766 . ?
O13 Dy1 N5 97.6(3) . . ?
O2 Dy1 N5 161.4(2) . . ?
O5 Dy1 N5 95.7(2) 2_766 . ?
O10 Dy1 N5 25.9(2) . . ?
O7 Dy1 N5 72.4(2) . . ?
O8 Dy1 N5 124.0(2) . . ?
N1 Dy1 N5 100.7(2) 2_766 . ?
O11 Dy1 N5 25.5(2) . . ?
N6 Dy1 N5 98.3(2) . . ?
C19 N1 N2 113.3(9) . . ?
C19 N1 Dy1 132.0(7) . 2_766 ?
N2 N1 Dy1 114.2(5) . 2_766 ?
C20 N2 N1 117.7(9) . . ?
C20 N2 H2A 121.2 . . ?
N1 N2 H2A 121.2 . . ?
C8 N3 N4 112.6(8) . . ?
C7 N4 N3 121.2(8) . . ?
C7 N4 H4A 119.4 . . ?
N3 N4 H4A 119.4 . . ?
O12 N5 O11 122.9(10) . . ?
O12 N5 O10 121.0(9) . . ?
O11 N5 O10 116.1(8) . . ?
O12 N5 Dy1 177.1(8) . . ?
O11 N5 Dy1 59.9(5) . . ?
O10 N5 Dy1 56.2(4) . . ?
O9 N6 O8 122.2(9) . . ?
O9 N6 O7 121.1(8) . . ?
O8 N6 O7 116.7(7) . . ?
O9 N6 Dy1 177.6(7) . . ?
O8 N6 Dy1 59.1(4) . . ?
O7 N6 Dy1 57.7(4) . . ?
C5 O1 H1A 109.5 . . ?
C7 O2 Dy1 138.0(6) . . ?
C9 O3 H3A 109.5 . . ?
C15 O4 Dy1 142.1(6) . 2_766 ?
C20 O5 Dy1 123.4(6) . 2_766 ?
C26 O6 H6 109.5 . . ?
N6 O7 Dy1 96.3(5) . . ?
N6 O8 Dy1 95.2(5) . . ?
N5 O10 Dy1 97.9(5) . . ?
N5 O11 Dy1 94.6(6) . . ?
Dy1 O13 H13E 120.5 . . ?
Dy1 O13 H13D 126.0 . . ?
H13E O13 H13D 108.6 . . ?
C27 O14 H14 109.5 . . ?
C28 O15 H15 109.5 . . ?
C29 O16 H16 109.5 . . ?
C30 O17 H17A 109.5 . . ?
C31 O18 H18A 109.5 . . ?

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
C6 C1 C2 C3 -3.5(15) . . . . ?
C1 C2 C3 C4 2.1(15) . . . . ?
C2 C3 C4 C5 -0.2(15) . . . . ?
C3 C4 C5 O1 179.1(9) . . . . ?
C3 C4 C5 C6 -0.4(14) . . . . ?
C2 C1 C6 C5 2.9(14) . . . . ?
C2 C1 C6 C7 177.9(9) . . . . ?
O1 C5 C6 C1 179.6(8) . . . . ?
C4 C5 C6 C1 -0.9(13) . . . . ?
O1 C5 C6 C7 4.9(13) . . . . ?
C4 C5 C6 C7 -175.6(9) . . . . ?
C1 C6 C7 O2 -7.4(13) . . . . ?
C5 C6 C7 O2 167.3(8) . . . . ?
C1 C6 C7 N4 170.2(8) . . . . ?
C5 C6 C7 N4 -15.1(13) . . . . ?
O3 C9 C10 C11 179.5(8) . . . . ?
C14 C9 C10 C11 -0.9(14) . . . . ?
O3 C9 C10 C8 2.1(13) . . . . ?
C14 C9 C10 C8 -178.3(8) . . . . ?
N3 C8 C10 C9 -164.9(9) . . . . ?
N3 C8 C10 C11 17.8(15) . . . . ?
C9 C10 C11 C12 3.7(15) . . . . ?
C8 C10 C11 C12 -178.9(9) . . . . ?
C10 C11 C12 C13 -3.8(15) . . . . ?
C11 C12 C13 C18 -178.5(9) . . . . ?
C11 C12 C13 C14 1.0(14) . . . . ?
O3 C9 C14 C13 177.8(8) . . . . ?
C10 C9 C14 C13 -1.7(13) . . . . ?
O3 C9 C14 C15 -1.1(14) . . . . ?
C10 C9 C14 C15 179.3(9) . . . . ?
C18 C13 C14 C9 -178.8(9) . . . . ?
C12 C13 C14 C9 1.7(13) . . . . ?
C18 C13 C14 C15 0.2(13) . . . . ?
C12 C13 C14 C15 -179.3(8) . . . . ?
C9 C14 C15 O4 -2.7(13) . . . . ?
C13 C14 C15 O4 178.4(8) . . . . ?
C9 C14 C15 C16 179.3(8) . . . . ?
C13 C14 C15 C16 0.4(13) . . . . ?
O4 C15 C16 C17 -177.5(8) . . . . ?
C14 C15 C16 C17 0.5(13) . . . . ?
O4 C15 C16 C19 -0.3(14) . . . . ?
C14 C15 C16 C19 177.7(8) . . . . ?
C15 C16 C17 C18 -2.0(14) . . . . ?
C19 C16 C17 C18 -179.3(8) . . . . ?
C16 C17 C18 C13 2.6(14) . . . . ?
C14 C13 C18 C17 -1.7(14) . . . . ?
C12 C13 C18 C17 177.8(9) . . . . ?
C15 C16 C19 N1 6.3(14) . . . . ?
C17 C16 C19 N1 -176.4(9) . . . . ?
O5 C20 C21 C26 172.0(9) . . . . ?
N2 C20 C21 C26 -8.0(14) . . . . ?
O5 C20 C21 C22 -8.5(14) . . . . ?
N2 C20 C21 C22 171.5(8) . . . . ?
C26 C21 C22 C23 0.7(14) . . . . ?
C20 C21 C22 C23 -178.9(9) . . . . ?
C21 C22 C23 C24 -1.6(15) . . . . ?
C22 C23 C24 C25 1.4(15) . . . . ?
C23 C24 C25 C26 -0.3(15) . . . . ?
C24 C25 C26 O6 179.7(9) . . . . ?
C24 C25 C26 C21 -0.6(15) . . . . ?
C22 C21 C26 C25 0.4(14) . . . . ?
C20 C21 C26 C25 180.0(9) . . . . ?
C22 C21 C26 O6 -179.9(8) . . . . ?
C20 C21 C26 O6 -0.3(14) . . . . ?
C16 C19 N1 N2 178.8(8) . . . . ?
C16 C19 N1 Dy1 7.4(14) . . . 2_766 ?
O5 C20 N2 N1 -0.9(13) . . . . ?
C21 C20 N2 N1 179.1(8) . . . . ?
C19 N1 N2 C20 -177.9(8) . . . . ?
Dy1 N1 N2 C20 -4.9(10) 2_766 . . . ?
C10 C8 N3 N4 -178.5(8) . . . . ?
O2 C7 N4 N3 -0.3(13) . . . . ?
C6 C7 N4 N3 -177.9(7) . . . . ?
C8 N3 N4 C7 -173.8(8) . . . . ?
N4 C7 O2 Dy1 80.4(12) . . . . ?
C6 C7 O2 Dy1 -102.1(10) . . . . ?
C16 C15 O4 Dy1 -26.0(14) . . . 2_766 ?
C14 C15 O4 Dy1 156.0(7) . . . 2_766 ?
N2 C20 O5 Dy1 7.2(12) . . . 2_766 ?
C21 C20 O5 Dy1 -172.8(6) . . . 2_766 ?
O9 N6 O7 Dy1 -177.5(8) . . . . ?
O8 N6 O7 Dy1 3.9(9) . . . . ?
O9 N6 O8 Dy1 177.6(8) . . . . ?
O7 N6 O8 Dy1 -3.8(9) . . . . ?
O12 N5 O10 Dy1 179.2(8) . . . . ?
O11 N5 O10 Dy1 -0.3(8) . . . . ?
O12 N5 O11 Dy1 -179.2(8) . . . . ?
O10 N5 O11 Dy1 0.3(8) . . . . ?

_refine_diff_density_max         4.541
_refine_diff_density_min         -3.436
_refine_diff_density_rms         0.236

