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

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

data_110430d
_database_code_depnum_ccdc_archive 'CCDC 1009609'
_audit_update_record             
;
2015-05-08 deposited with the CCDC.
2015-05-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C41 H38 N5 O20 Y'
_chemical_formula_weight         1009.67

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   12.0210(11)
_cell_length_b                   14.1771(15)
_cell_length_c                   24.200(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.8080(10)
_cell_angle_gamma                90.00
_cell_volume                     4115.2(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1076
_cell_measurement_theta_min      2.315
_cell_measurement_theta_max      26.116

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2072
_exptl_absorpt_coefficient_mu    1.511
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6858
_exptl_absorpt_correction_T_max  0.8395
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18236
_diffrn_reflns_av_R_equivalents  0.2258
_diffrn_reflns_av_sigmaI/netI    0.3382
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.22
_diffrn_reflns_theta_max         25.02
_reflns_number_total             7255
_reflns_number_gt                1969
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker 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)+(0.0295P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7255
_refine_ls_number_parameters     613
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2680
_refine_ls_R_factor_gt           0.0942
_refine_ls_wR_factor_ref         0.2434
_refine_ls_wR_factor_gt          0.2104
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.26921(9) 0.53993(11) 0.23537(5) 0.0573(5) Uani 1 1 d . . .
N1 N 0.3023(7) 0.5761(8) 0.1329(4) 0.053(3) Uani 1 1 d . . .
N2 N 0.3612(7) 0.5743(8) 0.3326(4) 0.055(4) Uani 1 1 d . . .
N3 N 0.3797(11) 0.7222(14) 0.2250(5) 0.071(5) Uani 1 1 d . . .
N4 N 0.3902(10) 0.3868(11) 0.1890(5) 0.069(4) Uani 1 1 d . . .
N5 N 0.1545(11) 0.3755(12) 0.2872(6) 0.080(5) Uani 1 1 d . . .
O1 O 0.1088(6) 0.5789(6) 0.1791(3) 0.057(3) Uani 1 1 d . . .
O2 O 0.2169(6) 0.6567(7) -0.1247(4) 0.065(3) Uani 1 1 d . . .
O3 O 0.0195(6) 0.6585(6) -0.0774(3) 0.062(3) Uani 1 1 d . . .
O4 O -0.3093(6) 0.6399(7) 0.0144(3) 0.059(3) Uani 1 1 d . . .
O5 O -0.2990(6) 0.6176(7) 0.1206(3) 0.058(3) Uani 1 1 d . . .
O6 O 0.1484(6) 0.5964(7) 0.3015(3) 0.061(3) Uani 1 1 d . . .
O7 O 0.4362(6) 0.6690(7) 0.5889(3) 0.068(3) Uani 1 1 d . . .
O8 O 0.2194(7) 0.6697(7) 0.5609(4) 0.066(3) Uani 1 1 d . . .
O9 O -0.1576(6) 0.6309(7) 0.4989(4) 0.063(3) Uani 1 1 d . . .
O10 O -0.2111(6) 0.6342(7) 0.3936(4) 0.067(3) Uani 1 1 d . . .
O11 O 0.4325(7) 0.6426(9) 0.2274(4) 0.071(3) Uani 1 1 d . . .
O12 O 0.2727(7) 0.7109(7) 0.2305(4) 0.071(3) Uani 1 1 d . . .
O13 O 0.4157(9) 0.8005(10) 0.2170(5) 0.095(4) Uani 1 1 d . . .
O14 O 0.4335(7) 0.4512(8) 0.2210(4) 0.070(3) Uani 1 1 d . . .
O15 O 0.2814(6) 0.3923(7) 0.1834(4) 0.069(3) Uani 1 1 d . . .
O16 O 0.4378(8) 0.3202(9) 0.1697(5) 0.092(4) Uani 1 1 d . . .
O17 O 0.1066(7) 0.4299(7) 0.2479(4) 0.068(3) Uani 1 1 d . . .
O18 O 0.2551(7) 0.4061(7) 0.3018(4) 0.080(3) Uani 1 1 d . . .
O19 O 0.1101(10) 0.3161(10) 0.3104(6) 0.125(6) Uani 1 1 d . . .
O20 O 0.131(2) 0.598(2) 0.7352(14) 0.257(14) Uani 1 1 d . . .
H20 H 0.0709 0.6239 0.7378 0.309 Uiso 1 1 calc R . .
C1 C 0.3995(9) 0.5735(10) 0.1096(5) 0.058(5) Uani 1 1 d . . .
H1 H 0.4641 0.5620 0.1319 0.070 Uiso 1 1 calc R . .
C2 C 0.4081(9) 0.5873(10) 0.0538(5) 0.056(4) Uani 1 1 d . . .
H2 H 0.4779 0.5858 0.0393 0.067 Uiso 1 1 calc R . .
C3 C 0.3117(9) 0.6039(10) 0.0178(5) 0.052(4) Uani 1 1 d . . .
C4 C 0.3165(9) 0.6189(10) -0.0384(5) 0.056(4) Uani 1 1 d . . .
H4 H 0.3850 0.6180 -0.0541 0.067 Uiso 1 1 calc R . .
C5 C 0.2197(9) 0.6354(10) -0.0717(5) 0.054(4) Uani 1 1 d . . .
C6 C 0.1139(9) 0.6363(10) -0.0459(5) 0.049(4) Uani 1 1 d . . .
C7 C 0.1046(9) 0.6205(9) 0.0094(5) 0.046(4) Uani 1 1 d . . .
C8 C 0.2077(8) 0.6047(10) 0.0423(5) 0.046(4) Uani 1 1 d . . .
C9 C 0.2086(9) 0.5894(10) 0.0996(5) 0.050(4) Uani 1 1 d . . .
C10 C 0.1062(9) 0.5945(10) 0.1274(5) 0.048(4) Uani 1 1 d . . .
C11 C 0.0008(8) 0.6090(9) 0.0942(5) 0.042(4) Uani 1 1 d . . .
C12 C -0.0007(9) 0.6200(10) 0.0385(5) 0.045(4) Uani 1 1 d . . .
C13 C -0.1086(8) 0.6321(8) 0.0110(5) 0.045(4) Uani 1 1 d . . .
H13 H -0.1144 0.6429 -0.0270 0.054 Uiso 1 1 calc R . .
C14 C -0.2032(9) 0.6281(10) 0.0390(5) 0.048(4) Uani 1 1 d . . .
C15 C -0.1999(9) 0.6164(10) 0.0959(5) 0.047(4) Uani 1 1 d . . .
C16 C -0.0938(8) 0.6079(9) 0.1238(5) 0.049(4) Uani 1 1 d . . .
H16 H -0.0873 0.6016 0.1621 0.058 Uiso 1 1 calc R . .
C17 C 0.3205(10) 0.6568(11) -0.1519(5) 0.080(5) Uani 1 1 d . . .
H17A H 0.3692 0.7043 -0.1355 0.120 Uiso 1 1 calc R . .
H17B H 0.3055 0.6701 -0.1905 0.120 Uiso 1 1 calc R . .
H17C H 0.3554 0.5961 -0.1476 0.120 Uiso 1 1 calc R . .
C18 C -0.0026(10) 0.6374(10) -0.1366(5) 0.064(5) Uani 1 1 d . . .
H18A H 0.0221 0.6892 -0.1582 0.096 Uiso 1 1 calc R . .
H18B H -0.0811 0.6280 -0.1444 0.096 Uiso 1 1 calc R . .
H18C H 0.0368 0.5812 -0.1457 0.096 Uiso 1 1 calc R . .
C19 C -0.3199(9) 0.6629(10) -0.0435(5) 0.065(5) Uani 1 1 d . . .
H19A H -0.2773 0.7186 -0.0501 0.098 Uiso 1 1 calc R . .
H19B H -0.3969 0.6741 -0.0547 0.098 Uiso 1 1 calc R . .
H19C H -0.2927 0.6114 -0.0646 0.098 Uiso 1 1 calc R . .
C20 C -0.2954(9) 0.6170(11) 0.1796(5) 0.068(5) Uani 1 1 d . . .
H20A H -0.2655 0.5580 0.1931 0.102 Uiso 1 1 calc R . .
H20B H -0.3695 0.6250 0.1915 0.102 Uiso 1 1 calc R . .
H20C H -0.2489 0.6677 0.1938 0.102 Uiso 1 1 calc R . .
C21 C 0.4755(9) 0.5676(10) 0.3467(5) 0.065(5) Uani 1 1 d . . .
H21 H 0.5246 0.5520 0.3200 0.078 Uiso 1 1 calc R . .
C22 C 0.5150(9) 0.5846(10) 0.4010(5) 0.054(4) Uani 1 1 d . . .
H22 H 0.5912 0.5805 0.4101 0.065 Uiso 1 1 calc R . .
C23 C 0.4451(9) 0.6072(10) 0.4415(5) 0.055(4) Uani 1 1 d . . .
C24 C 0.4826(10) 0.6260(11) 0.4974(6) 0.060(5) Uani 1 1 d . . .
H24 H 0.5586 0.6252 0.5076 0.072 Uiso 1 1 calc R . .
C25 C 0.4114(10) 0.6446(11) 0.5348(6) 0.062(5) Uani 1 1 d . . .
C26 C 0.2889(10) 0.6427(11) 0.5219(5) 0.056(4) Uani 1 1 d . . .
C27 C 0.2480(9) 0.6254(10) 0.4676(5) 0.051(4) Uani 1 1 d . . .
C28 C 0.3258(9) 0.6071(10) 0.4276(5) 0.052(4) Uani 1 1 d . . .
C29 C 0.2948(9) 0.5938(10) 0.3708(5) 0.052(4) Uani 1 1 d . . .
C30 C 0.1751(10) 0.6029(11) 0.3527(6) 0.058(4) Uani 1 1 d . . .
C31 C 0.0951(9) 0.6158(10) 0.3929(5) 0.050(4) Uani 1 1 d . . .
C32 C 0.1261(9) 0.6227(10) 0.4496(5) 0.052(4) Uani 1 1 d . . .
C33 C 0.0405(9) 0.6266(9) 0.4852(5) 0.055(4) Uani 1 1 d . . .
H33 H 0.0587 0.6276 0.5232 0.066 Uiso 1 1 calc R . .
C34 C -0.0705(9) 0.6291(10) 0.4667(5) 0.052(4) Uani 1 1 d . . .
C35 C -0.0979(9) 0.6249(10) 0.4085(5) 0.052(4) Uani 1 1 d . . .
C36 C -0.0180(9) 0.6171(10) 0.3739(5) 0.053(4) Uani 1 1 d . . .
H36 H -0.0369 0.6123 0.3361 0.063 Uiso 1 1 calc R . .
C37 C 0.5548(9) 0.6755(11) 0.6063(5) 0.077(5) Uani 1 1 d . . .
H37A H 0.5874 0.6137 0.6063 0.115 Uiso 1 1 calc R . .
H37B H 0.5634 0.7017 0.6429 0.115 Uiso 1 1 calc R . .
H37C H 0.5913 0.7154 0.5810 0.115 Uiso 1 1 calc R . .
C38 C 0.2166(11) 0.6221(13) 0.6108(6) 0.102(6) Uani 1 1 d . . .
H38A H 0.2153 0.5553 0.6040 0.153 Uiso 1 1 calc R . .
H38B H 0.1510 0.6400 0.6288 0.153 Uiso 1 1 calc R . .
H38C H 0.2817 0.6378 0.6341 0.153 Uiso 1 1 calc R . .
C39 C -0.1335(10) 0.6343(11) 0.5579(5) 0.074(5) Uani 1 1 d . . .
H39A H -0.0827 0.6852 0.5669 0.111 Uiso 1 1 calc R . .
H39B H -0.1004 0.5758 0.5703 0.111 Uiso 1 1 calc R . .
H39C H -0.2014 0.6443 0.5759 0.111 Uiso 1 1 calc R . .
C40 C -0.2374(9) 0.6458(11) 0.3330(5) 0.076(5) Uani 1 1 d . . .
H40A H -0.1899 0.6934 0.3190 0.114 Uiso 1 1 calc R . .
H40B H -0.3139 0.6643 0.3264 0.114 Uiso 1 1 calc R . .
H40C H -0.2252 0.5871 0.3146 0.114 Uiso 1 1 calc R . .
C41 C 0.118(3) 0.499(3) 0.741(2) 0.31(3) Uani 1 1 d . . .
H41A H 0.1903 0.4697 0.7421 0.471 Uiso 1 1 calc R . .
H41B H 0.0734 0.4756 0.7095 0.471 Uiso 1 1 calc R . .
H41C H 0.0827 0.4860 0.7741 0.471 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Y1 O1 2.351(7) . ?
Y1 O6 2.370(9) . ?
Y1 O14 2.386(9) . ?
Y1 O12 2.427(10) . ?
Y1 O15 2.452(10) . ?
Y1 O11 2.462(9) . ?
Y1 O18 2.499(10) . ?
Y1 O17 2.534(9) . ?
Y1 N2 2.578(9) . ?
Y1 N1 2.590(10) . ?
N1 C1 1.331(14) . ?
N1 C9 1.353(12) . ?
N2 C29 1.291(14) . ?
N2 C21 1.397(13) . ?
N3 O13 1.211(16) . ?
N3 O11 1.295(16) . ?
N3 O12 1.311(14) . ?
N4 O16 1.214(14) . ?
N4 O14 1.285(14) . ?
N4 O15 1.308(12) . ?
N5 O19 1.162(14) . ?
N5 O18 1.312(13) . ?
N5 O17 1.326(15) . ?
O1 C10 1.268(13) . ?
O2 C5 1.315(13) . ?
O2 C17 1.447(13) . ?
O3 C6 1.362(11) . ?
O3 C18 1.469(12) . ?
O4 C14 1.381(11) . ?
O4 C19 1.437(13) . ?
O5 C15 1.368(13) . ?
O5 C20 1.426(13) . ?
O6 C30 1.264(13) . ?
O7 C25 1.369(14) . ?
O7 C37 1.461(11) . ?
O8 C26 1.356(14) . ?
O8 C38 1.385(15) . ?
O9 C34 1.346(13) . ?
O9 C39 1.439(13) . ?
O10 C35 1.391(11) . ?
O10 C40 1.489(13) . ?
O20 C41 1.41(5) . ?
O20 H20 0.8200 . ?
C1 C2 1.376(15) . ?
C1 H1 0.9300 . ?
C2 C3 1.422(13) . ?
C2 H2 0.9300 . ?
C3 C4 1.381(15) . ?
C3 C8 1.420(15) . ?
C4 C5 1.391(13) . ?
C4 H4 0.9300 . ?
C5 C6 1.453(16) . ?
C6 C7 1.369(15) . ?
C7 C8 1.445(13) . ?
C7 C12 1.489(15) . ?
C8 C9 1.404(15) . ?
C9 C10 1.442(16) . ?
C10 C11 1.469(13) . ?
C11 C12 1.356(15) . ?
C11 C16 1.382(15) . ?
C12 C13 1.429(12) . ?
C13 C14 1.363(15) . ?
C13 H13 0.9300 . ?
C14 C15 1.385(15) . ?
C15 C16 1.407(13) . ?
C16 H16 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.387(15) . ?
C21 H21 0.9300 . ?
C22 C23 1.372(16) . ?
C22 H22 0.9300 . ?
C23 C24 1.423(16) . ?
C23 C28 1.451(14) . ?
C24 C25 1.313(17) . ?
C24 H24 0.9300 . ?
C25 C26 1.485(15) . ?
C26 C27 1.395(15) . ?
C27 C28 1.413(16) . ?
C27 C32 1.501(14) . ?
C28 C29 1.414(15) . ?
C29 C30 1.481(15) . ?
C30 C31 1.424(16) . ?
C31 C32 1.402(15) . ?
C31 C36 1.406(13) . ?
C32 C33 1.386(16) . ?
C33 C34 1.380(14) . ?
C33 H33 0.9300 . ?
C34 C35 1.427(16) . ?
C35 C36 1.320(16) . ?
C36 H36 0.9300 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 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
O1 Y1 O6 78.2(3) . . ?
O1 Y1 O14 134.0(3) . . ?
O6 Y1 O14 145.7(3) . . ?
O1 Y1 O12 75.7(3) . . ?
O6 Y1 O12 73.1(3) . . ?
O14 Y1 O12 120.1(3) . . ?
O1 Y1 O15 88.7(3) . . ?
O6 Y1 O15 134.0(3) . . ?
O14 Y1 O15 52.9(3) . . ?
O12 Y1 O15 145.7(3) . . ?
O1 Y1 O11 116.3(3) . . ?
O6 Y1 O11 112.4(3) . . ?
O14 Y1 O11 68.2(4) . . ?
O12 Y1 O11 52.4(3) . . ?
O15 Y1 O11 112.9(3) . . ?
O1 Y1 O18 117.6(3) . . ?
O6 Y1 O18 75.6(3) . . ?
O14 Y1 O18 77.6(3) . . ?
O12 Y1 O18 142.3(3) . . ?
O15 Y1 O18 72.0(3) . . ?
O11 Y1 O18 126.0(3) . . ?
O1 Y1 O17 66.7(3) . . ?
O6 Y1 O17 67.4(3) . . ?
O14 Y1 O17 110.2(3) . . ?
O12 Y1 O17 129.5(3) . . ?
O15 Y1 O17 67.0(3) . . ?
O11 Y1 O17 177.0(3) . . ?
O18 Y1 O17 51.0(3) . . ?
O1 Y1 N2 140.3(3) . . ?
O6 Y1 N2 64.2(3) . . ?
O14 Y1 N2 85.6(3) . . ?
O12 Y1 N2 81.2(3) . . ?
O15 Y1 N2 126.4(3) . . ?
O11 Y1 N2 70.4(3) . . ?
O18 Y1 N2 66.4(3) . . ?
O17 Y1 N2 107.2(3) . . ?
O1 Y1 N1 64.6(3) . . ?
O6 Y1 N1 136.0(3) . . ?
O14 Y1 N1 77.5(3) . . ?
O12 Y1 N1 75.6(3) . . ?
O15 Y1 N1 70.1(3) . . ?
O11 Y1 N1 68.5(3) . . ?
O18 Y1 N1 142.0(3) . . ?
O17 Y1 N1 113.9(3) . . ?
N2 Y1 N1 138.8(3) . . ?
C1 N1 C9 118.2(11) . . ?
C1 N1 Y1 126.5(8) . . ?
C9 N1 Y1 114.9(8) . . ?
C29 N2 C21 119.0(10) . . ?
C29 N2 Y1 116.5(7) . . ?
C21 N2 Y1 124.5(8) . . ?
O13 N3 O11 128.8(15) . . ?
O13 N3 O12 119.4(17) . . ?
O11 N3 O12 111.7(15) . . ?
O16 N4 O14 127.1(12) . . ?
O16 N4 O15 120.0(14) . . ?
O14 N4 O15 112.5(13) . . ?
O19 N5 O18 123.7(15) . . ?
O19 N5 O17 125.2(14) . . ?
O18 N5 O17 110.5(14) . . ?
C10 O1 Y1 125.3(7) . . ?
C5 O2 C17 118.5(9) . . ?
C6 O3 C18 126.1(9) . . ?
C14 O4 C19 117.9(9) . . ?
C15 O5 C20 117.9(9) . . ?
C30 O6 Y1 124.1(8) . . ?
C25 O7 C37 115.9(10) . . ?
C26 O8 C38 121.3(12) . . ?
C34 O9 C39 117.5(9) . . ?
C35 O10 C40 113.9(10) . . ?
N3 O11 Y1 97.3(9) . . ?
N3 O12 Y1 98.5(10) . . ?
N4 O14 Y1 99.0(8) . . ?
N4 O15 Y1 95.2(8) . . ?
N5 O17 Y1 98.2(8) . . ?
N5 O18 Y1 100.3(9) . . ?
C41 O20 H20 109.5 . . ?
N1 C1 C2 122.4(11) . . ?
N1 C1 H1 118.8 . . ?
C2 C1 H1 118.8 . . ?
C1 C2 C3 120.9(11) . . ?
C1 C2 H2 119.5 . . ?
C3 C2 H2 119.5 . . ?
C4 C3 C8 120.4(10) . . ?
C4 C3 C2 122.9(11) . . ?
C8 C3 C2 116.7(11) . . ?
C3 C4 C5 120.6(11) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
O2 C5 C4 124.7(11) . . ?
O2 C5 C6 116.8(10) . . ?
C4 C5 C6 118.3(11) . . ?
O3 C6 C7 117.8(10) . . ?
O3 C6 C5 118.8(11) . . ?
C7 C6 C5 123.3(11) . . ?
C6 C7 C8 116.2(11) . . ?
C6 C7 C12 126.2(10) . . ?
C8 C7 C12 117.6(11) . . ?
C9 C8 C3 117.6(10) . . ?
C9 C8 C7 121.2(10) . . ?
C3 C8 C7 121.2(11) . . ?
N1 C9 C8 124.1(11) . . ?
N1 C9 C10 115.6(11) . . ?
C8 C9 C10 120.1(10) . . ?
O1 C10 C9 119.0(10) . . ?
O1 C10 C11 121.8(11) . . ?
C9 C10 C11 119.0(11) . . ?
C12 C11 C16 124.0(10) . . ?
C12 C11 C10 120.9(11) . . ?
C16 C11 C10 115.2(11) . . ?
C11 C12 C13 115.4(10) . . ?
C11 C12 C7 121.0(10) . . ?
C13 C12 C7 123.5(11) . . ?
C14 C13 C12 121.6(11) . . ?
C14 C13 H13 119.2 . . ?
C12 C13 H13 119.2 . . ?
C13 C14 O4 123.9(11) . . ?
C13 C14 C15 122.0(10) . . ?
O4 C14 C15 114.0(10) . . ?
O5 C15 C14 117.6(10) . . ?
O5 C15 C16 125.4(11) . . ?
C14 C15 C16 116.9(10) . . ?
C11 C16 C15 120.1(11) . . ?
C11 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
O2 C17 H17A 109.5 . . ?
O2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O3 C18 H18A 109.5 . . ?
O3 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
O3 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O4 C19 H19A 109.5 . . ?
O4 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
O4 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O5 C20 H20A 109.5 . . ?
O5 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
O5 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 N2 119.3(12) . . ?
C22 C21 H21 120.3 . . ?
N2 C21 H21 120.3 . . ?
C23 C22 C21 122.0(11) . . ?
C23 C22 H22 119.0 . . ?
C21 C22 H22 119.0 . . ?
C22 C23 C24 123.6(11) . . ?
C22 C23 C28 118.5(11) . . ?
C24 C23 C28 117.8(13) . . ?
C25 C24 C23 120.8(12) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C24 C25 O7 126.8(11) . . ?
C24 C25 C26 122.4(12) . . ?
O7 C25 C26 110.8(12) . . ?
O8 C26 C27 120.8(11) . . ?
O8 C26 C25 119.8(11) . . ?
C27 C26 C25 118.9(13) . . ?
C26 C27 C28 118.0(10) . . ?
C26 C27 C32 123.6(12) . . ?
C28 C27 C32 118.4(11) . . ?
C27 C28 C29 123.1(10) . . ?
C27 C28 C23 122.0(11) . . ?
C29 C28 C23 114.7(12) . . ?
N2 C29 C28 126.1(10) . . ?
N2 C29 C30 116.3(11) . . ?
C28 C29 C30 117.6(12) . . ?
O6 C30 C31 122.7(11) . . ?
O6 C30 C29 117.5(12) . . ?
C31 C30 C29 119.8(11) . . ?
C32 C31 C36 120.5(12) . . ?
C32 C31 C30 122.0(11) . . ?
C36 C31 C30 117.4(11) . . ?
C33 C32 C31 116.9(10) . . ?
C33 C32 C27 124.7(11) . . ?
C31 C32 C27 118.4(12) . . ?
C34 C33 C32 122.8(12) . . ?
C34 C33 H33 118.6 . . ?
C32 C33 H33 118.6 . . ?
O9 C34 C33 125.8(11) . . ?
O9 C34 C35 115.8(10) . . ?
C33 C34 C35 118.3(12) . . ?
C36 C35 O10 125.7(11) . . ?
C36 C35 C34 120.0(10) . . ?
O10 C35 C34 114.2(11) . . ?
C35 C36 C31 121.4(11) . . ?
C35 C36 H36 119.3 . . ?
C31 C36 H36 119.3 . . ?
O7 C37 H37A 109.5 . . ?
O7 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
O7 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
O8 C38 H38A 109.5 . . ?
O8 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
O8 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O9 C39 H39A 109.5 . . ?
O9 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
O9 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O10 C40 H40A 109.5 . . ?
O10 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
O10 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O20 C41 H41A 109.5 . . ?
O20 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
O20 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 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
O1 Y1 N1 C1 -179.1(12) . . . . ?
O6 Y1 N1 C1 145.7(10) . . . . ?
O14 Y1 N1 C1 -25.9(11) . . . . ?
O12 Y1 N1 C1 100.1(11) . . . . ?
O15 Y1 N1 C1 -80.7(11) . . . . ?
O11 Y1 N1 C1 45.3(11) . . . . ?
O18 Y1 N1 C1 -76.2(12) . . . . ?
O17 Y1 N1 C1 -132.7(11) . . . . ?
N2 Y1 N1 C1 42.2(13) . . . . ?
O1 Y1 N1 C9 -6.2(8) . . . . ?
O6 Y1 N1 C9 -41.3(10) . . . . ?
O14 Y1 N1 C9 147.0(9) . . . . ?
O12 Y1 N1 C9 -87.0(9) . . . . ?
O15 Y1 N1 C9 92.2(9) . . . . ?
O11 Y1 N1 C9 -141.8(10) . . . . ?
O18 Y1 N1 C9 96.8(9) . . . . ?
O17 Y1 N1 C9 40.2(9) . . . . ?
N2 Y1 N1 C9 -144.8(8) . . . . ?
O1 Y1 N2 C29 28.9(13) . . . . ?
O6 Y1 N2 C29 8.3(10) . . . . ?
O14 Y1 N2 C29 -154.9(11) . . . . ?
O12 Y1 N2 C29 83.7(11) . . . . ?
O15 Y1 N2 C29 -118.7(10) . . . . ?
O11 Y1 N2 C29 136.8(11) . . . . ?
O18 Y1 N2 C29 -76.5(11) . . . . ?
O17 Y1 N2 C29 -45.1(11) . . . . ?
N1 Y1 N2 C29 139.8(10) . . . . ?
O1 Y1 N2 C21 -155.1(9) . . . . ?
O6 Y1 N2 C21 -175.7(11) . . . . ?
O14 Y1 N2 C21 21.1(10) . . . . ?
O12 Y1 N2 C21 -100.3(10) . . . . ?
O15 Y1 N2 C21 57.2(11) . . . . ?
O11 Y1 N2 C21 -47.3(10) . . . . ?
O18 Y1 N2 C21 99.5(10) . . . . ?
O17 Y1 N2 C21 130.9(10) . . . . ?
N1 Y1 N2 C21 -44.3(12) . . . . ?
O6 Y1 O1 C10 159.5(11) . . . . ?
O14 Y1 O1 C10 -34.1(12) . . . . ?
O12 Y1 O1 C10 84.2(11) . . . . ?
O15 Y1 O1 C10 -64.9(11) . . . . ?
O11 Y1 O1 C10 50.2(11) . . . . ?
O18 Y1 O1 C10 -133.8(10) . . . . ?
O17 Y1 O1 C10 -130.3(11) . . . . ?
N2 Y1 O1 C10 140.6(10) . . . . ?
N1 Y1 O1 C10 3.6(10) . . . . ?
O1 Y1 O6 C30 -178.2(11) . . . . ?
O14 Y1 O6 C30 19.3(14) . . . . ?
O12 Y1 O6 C30 -99.8(11) . . . . ?
O15 Y1 O6 C30 105.2(11) . . . . ?
O11 Y1 O6 C30 -64.4(12) . . . . ?
O18 Y1 O6 C30 59.0(11) . . . . ?
O17 Y1 O6 C30 112.3(12) . . . . ?
N2 Y1 O6 C30 -11.5(11) . . . . ?
N1 Y1 O6 C30 -146.2(10) . . . . ?
O13 N3 O11 Y1 -174.5(15) . . . . ?
O12 N3 O11 Y1 3.1(12) . . . . ?
O1 Y1 O11 N3 41.3(9) . . . . ?
O6 Y1 O11 N3 -46.3(8) . . . . ?
O14 Y1 O11 N3 170.8(9) . . . . ?
O12 Y1 O11 N3 -2.0(7) . . . . ?
O15 Y1 O11 N3 141.8(8) . . . . ?
O18 Y1 O11 N3 -134.4(8) . . . . ?
N2 Y1 O11 N3 -96.0(8) . . . . ?
N1 Y1 O11 N3 86.1(8) . . . . ?
O13 N3 O12 Y1 174.7(12) . . . . ?
O11 N3 O12 Y1 -3.1(12) . . . . ?
O1 Y1 O12 N3 -138.8(8) . . . . ?
O6 Y1 O12 N3 139.4(8) . . . . ?
O14 Y1 O12 N3 -5.9(8) . . . . ?
O15 Y1 O12 N3 -73.1(9) . . . . ?
O11 Y1 O12 N3 1.9(7) . . . . ?
O18 Y1 O12 N3 104.4(8) . . . . ?
O17 Y1 O12 N3 178.9(7) . . . . ?
N2 Y1 O12 N3 73.8(8) . . . . ?
N1 Y1 O12 N3 -71.8(7) . . . . ?
O16 N4 O14 Y1 -178.3(15) . . . . ?
O15 N4 O14 Y1 -6.1(11) . . . . ?
O1 Y1 O14 N4 -36.1(9) . . . . ?
O6 Y1 O14 N4 119.7(8) . . . . ?
O12 Y1 O14 N4 -135.6(7) . . . . ?
O15 Y1 O14 N4 3.7(7) . . . . ?
O11 Y1 O14 N4 -142.2(8) . . . . ?
O18 Y1 O14 N4 80.4(8) . . . . ?
O17 Y1 O14 N4 40.5(8) . . . . ?
N2 Y1 O14 N4 147.2(8) . . . . ?
N1 Y1 O14 N4 -70.6(8) . . . . ?
O16 N4 O15 Y1 178.7(13) . . . . ?
O14 N4 O15 Y1 5.9(11) . . . . ?
O1 Y1 O15 N4 148.9(7) . . . . ?
O6 Y1 O15 N4 -138.9(7) . . . . ?
O14 Y1 O15 N4 -3.6(7) . . . . ?
O12 Y1 O15 N4 86.9(8) . . . . ?
O11 Y1 O15 N4 30.7(8) . . . . ?
O18 Y1 O15 N4 -91.5(7) . . . . ?
O17 Y1 O15 N4 -146.0(8) . . . . ?
N2 Y1 O15 N4 -51.1(8) . . . . ?
N1 Y1 O15 N4 85.5(7) . . . . ?
O19 N5 O17 Y1 174.5(18) . . . . ?
O18 N5 O17 Y1 3.1(12) . . . . ?
O1 Y1 O17 N5 -177.9(9) . . . . ?
O6 Y1 O17 N5 -91.4(8) . . . . ?
O14 Y1 O17 N5 51.8(9) . . . . ?
O12 Y1 O17 N5 -132.6(8) . . . . ?
O15 Y1 O17 N5 83.0(8) . . . . ?
O18 Y1 O17 N5 -1.9(8) . . . . ?
N2 Y1 O17 N5 -39.9(8) . . . . ?
N1 Y1 O17 N5 136.7(8) . . . . ?
O19 N5 O18 Y1 -174.7(17) . . . . ?
O17 N5 O18 Y1 -3.1(12) . . . . ?
O1 Y1 O18 N5 6.1(9) . . . . ?
O6 Y1 O18 N5 74.3(8) . . . . ?
O14 Y1 O18 N5 -127.3(8) . . . . ?
O12 Y1 O18 N5 108.9(8) . . . . ?
O15 Y1 O18 N5 -72.6(8) . . . . ?
O11 Y1 O18 N5 -178.2(8) . . . . ?
O17 Y1 O18 N5 2.0(8) . . . . ?
N2 Y1 O18 N5 142.1(9) . . . . ?
N1 Y1 O18 N5 -77.1(9) . . . . ?
C9 N1 C1 C2 2(2) . . . . ?
Y1 N1 C1 C2 175.2(10) . . . . ?
N1 C1 C2 C3 -1(2) . . . . ?
C1 C2 C3 C4 179.4(15) . . . . ?
C1 C2 C3 C8 0(2) . . . . ?
C8 C3 C4 C5 0(2) . . . . ?
C2 C3 C4 C5 -179.5(13) . . . . ?
C17 O2 C5 C4 5(2) . . . . ?
C17 O2 C5 C6 179.9(12) . . . . ?
C3 C4 C5 O2 175.2(15) . . . . ?
C3 C4 C5 C6 0(2) . . . . ?
C18 O3 C6 C7 -150.7(13) . . . . ?
C18 O3 C6 C5 32.5(19) . . . . ?
O2 C5 C6 O3 0(2) . . . . ?
C4 C5 C6 O3 175.7(12) . . . . ?
O2 C5 C6 C7 -176.5(14) . . . . ?
C4 C5 C6 C7 -1(2) . . . . ?
O3 C6 C7 C8 -175.1(11) . . . . ?
C5 C6 C7 C8 1(2) . . . . ?
O3 C6 C7 C12 4(2) . . . . ?
C5 C6 C7 C12 -179.9(12) . . . . ?
C4 C3 C8 C9 -179.7(14) . . . . ?
C2 C3 C8 C9 0(2) . . . . ?
C4 C3 C8 C7 1(2) . . . . ?
C2 C3 C8 C7 -179.7(12) . . . . ?
C6 C7 C8 C9 178.9(14) . . . . ?
C12 C7 C8 C9 0.2(19) . . . . ?
C6 C7 C8 C3 -1(2) . . . . ?
C12 C7 C8 C3 179.9(13) . . . . ?
C1 N1 C9 C8 -3(2) . . . . ?
Y1 N1 C9 C8 -176.5(11) . . . . ?
C1 N1 C9 C10 -178.1(12) . . . . ?
Y1 N1 C9 C10 8.3(15) . . . . ?
C3 C8 C9 N1 2(2) . . . . ?
C7 C8 C9 N1 -178.6(12) . . . . ?
C3 C8 C9 C10 176.7(12) . . . . ?
C7 C8 C9 C10 -4(2) . . . . ?
Y1 O1 C10 C9 -0.6(18) . . . . ?
Y1 O1 C10 C11 173.7(8) . . . . ?
N1 C9 C10 O1 -6(2) . . . . ?
C8 C9 C10 O1 178.9(13) . . . . ?
N1 C9 C10 C11 179.8(11) . . . . ?
C8 C9 C10 C11 4(2) . . . . ?
O1 C10 C11 C12 -176.1(14) . . . . ?
C9 C10 C11 C12 -2(2) . . . . ?
O1 C10 C11 C16 2.3(19) . . . . ?
C9 C10 C11 C16 176.6(13) . . . . ?
C16 C11 C12 C13 1(2) . . . . ?
C10 C11 C12 C13 179.0(11) . . . . ?
C16 C11 C12 C7 -180.0(12) . . . . ?
C10 C11 C12 C7 -2(2) . . . . ?
C6 C7 C12 C11 -176.1(15) . . . . ?
C8 C7 C12 C11 3(2) . . . . ?
C6 C7 C12 C13 3(2) . . . . ?
C8 C7 C12 C13 -178.2(12) . . . . ?
C11 C12 C13 C14 -3.0(19) . . . . ?
C7 C12 C13 C14 177.7(13) . . . . ?
C12 C13 C14 O4 179.5(12) . . . . ?
C12 C13 C14 C15 3(2) . . . . ?
C19 O4 C14 C13 -3.5(18) . . . . ?
C19 O4 C14 C15 173.2(12) . . . . ?
C20 O5 C15 C14 -172.6(13) . . . . ?
C20 O5 C15 C16 5(2) . . . . ?
C13 C14 C15 O5 177.0(11) . . . . ?
O4 C14 C15 O5 0.2(19) . . . . ?
C13 C14 C15 C16 -1(2) . . . . ?
O4 C14 C15 C16 -177.4(11) . . . . ?
C12 C11 C16 C15 2(2) . . . . ?
C10 C11 C16 C15 -176.8(12) . . . . ?
O5 C15 C16 C11 -179.0(13) . . . . ?
C14 C15 C16 C11 -2(2) . . . . ?
C29 N2 C21 C22 -2(2) . . . . ?
Y1 N2 C21 C22 -177.7(10) . . . . ?
N2 C21 C22 C23 0(2) . . . . ?
C21 C22 C23 C24 -179.3(14) . . . . ?
C21 C22 C23 C28 4(2) . . . . ?
C22 C23 C24 C25 -178.0(15) . . . . ?
C28 C23 C24 C25 -1(2) . . . . ?
C23 C24 C25 O7 -176.1(13) . . . . ?
C23 C24 C25 C26 3(2) . . . . ?
C37 O7 C25 C24 1(2) . . . . ?
C37 O7 C25 C26 -178.5(11) . . . . ?
C38 O8 C26 C27 127.0(14) . . . . ?
C38 O8 C26 C25 -61.6(18) . . . . ?
C24 C25 C26 O8 -174.8(15) . . . . ?
O7 C25 C26 O8 4.3(19) . . . . ?
C24 C25 C26 C27 -3(2) . . . . ?
O7 C25 C26 C27 175.8(13) . . . . ?
O8 C26 C27 C28 173.6(13) . . . . ?
C25 C26 C27 C28 2(2) . . . . ?
O8 C26 C27 C32 -8(2) . . . . ?
C25 C26 C27 C32 -179.4(12) . . . . ?
C26 C27 C28 C29 -176.3(15) . . . . ?
C32 C27 C28 C29 5(2) . . . . ?
C26 C27 C28 C23 -1(2) . . . . ?
C32 C27 C28 C23 -179.3(13) . . . . ?
C22 C23 C28 C27 177.1(14) . . . . ?
C24 C23 C28 C27 0(2) . . . . ?
C22 C23 C28 C29 -7(2) . . . . ?
C24 C23 C28 C29 176.2(13) . . . . ?
C21 N2 C29 C28 -2(2) . . . . ?
Y1 N2 C29 C28 174.4(12) . . . . ?
C21 N2 C29 C30 178.1(12) . . . . ?
Y1 N2 C29 C30 -5.7(17) . . . . ?
C27 C28 C29 N2 -177.9(14) . . . . ?
C23 C28 C29 N2 6(2) . . . . ?
C27 C28 C29 C30 2(2) . . . . ?
C23 C28 C29 C30 -173.8(12) . . . . ?
Y1 O6 C30 C31 -165.1(10) . . . . ?
Y1 O6 C30 C29 13.3(18) . . . . ?
N2 C29 C30 O6 -4(2) . . . . ?
C28 C29 C30 O6 176.0(14) . . . . ?
N2 C29 C30 C31 174.4(14) . . . . ?
C28 C29 C30 C31 -6(2) . . . . ?
O6 C30 C31 C32 179.9(14) . . . . ?
C29 C30 C31 C32 2(2) . . . . ?
O6 C30 C31 C36 3(2) . . . . ?
C29 C30 C31 C36 -175.5(12) . . . . ?
C36 C31 C32 C33 3(2) . . . . ?
C30 C31 C32 C33 -174.3(13) . . . . ?
C36 C31 C32 C27 -177.3(12) . . . . ?
C30 C31 C32 C27 6(2) . . . . ?
C26 C27 C32 C33 -7(2) . . . . ?
C28 C27 C32 C33 171.0(14) . . . . ?
C26 C27 C32 C31 172.5(14) . . . . ?
C28 C27 C32 C31 -9(2) . . . . ?
C31 C32 C33 C34 -4(2) . . . . ?
C27 C32 C33 C34 176.4(13) . . . . ?
C39 O9 C34 C33 3(2) . . . . ?
C39 O9 C34 C35 179.5(13) . . . . ?
C32 C33 C34 O9 178.5(14) . . . . ?
C32 C33 C34 C35 2(2) . . . . ?
C40 O10 C35 C36 -6(2) . . . . ?
C40 O10 C35 C34 170.4(12) . . . . ?
O9 C34 C35 C36 -175.9(13) . . . . ?
C33 C34 C35 C36 1(2) . . . . ?
O9 C34 C35 O10 7.1(19) . . . . ?
C33 C34 C35 O10 -175.8(11) . . . . ?
O10 C35 C36 C31 174.6(13) . . . . ?
C34 C35 C36 C31 -2(2) . . . . ?
C32 C31 C36 C35 0(2) . . . . ?
C30 C31 C36 C35 177.2(14) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.817
_refine_diff_density_min         -1.515
_refine_diff_density_rms         0.137
####################################################################### 
# 
# 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_2011102607
_database_code_depnum_ccdc_archive 'CCDC 1009610'
_audit_update_record             
;
2015-05-08 deposited with the CCDC.
2015-05-11 downloaded from the CCDC.
;
_audit_creation_date             2011-10-27
_audit_creation_method           
;
  Olex2 1.1
  (compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C40 H34 Dy N5 O19, H2 O'
_chemical_formula_sum            'C40 H36 Dy N5 O20'
_chemical_formula_weight         1069.24
_chemical_melting_point          ?
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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   11.9998(2)
_cell_length_b                   14.1759(3)
_cell_length_c                   24.2660(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.8208(16)
_cell_angle_gamma                90.00
_cell_volume                     4118.67(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5871
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.6664
_cell_measurement_theta_min      2.8528
_exptl_absorpt_coefficient_mu    1.906
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88854
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.724
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             2148
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_unetI/netI     0.0590
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            17473
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.86
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1623
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -96.00   28.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.3518  -19.0000 -120.0000 248

#__ type_ start__ end____ width___ exp.time_
  2 omega  -20.00   45.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.3518   57.0000   60.0000 130

#__ type_ start__ end____ width___ exp.time_
  3 omega  -86.00  -59.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.3518 -178.0000 -120.0000 54

#__ type_ start__ end____ width___ exp.time_
  4 omega   46.00   82.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       21.5236  178.0000 -150.0000 72
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0086907000
_diffrn_orient_matrix_UB_12      -0.0322164000
_diffrn_orient_matrix_UB_13      0.0222405000
_diffrn_orient_matrix_UB_21      0.0510594000
_diffrn_orient_matrix_UB_22      0.0228174000
_diffrn_orient_matrix_UB_23      0.0081750000
_diffrn_orient_matrix_UB_31      -0.0287284000
_diffrn_orient_matrix_UB_32      0.0307691000
_diffrn_orient_matrix_UB_33      0.0172212000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                6182
_reflns_number_total             8405
_reflns_odcompleteness_completeness 99.79
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    
'A short history of SHELX (Sheldrick, 2007)/Bruker'
_refine_diff_density_max         0.761
_refine_diff_density_min         -0.725
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     603
_refine_ls_number_reflns         8405
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0430
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0370P)²+0.0603P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0849
_refine_ls_wR_factor_ref         0.0937
_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. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.769501(17) 0.539445(16) 0.235213(8) 0.03740(8) Uani 1 1 d . . .
O1 O 0.6082(2) 0.5794(2) 0.17904(10) 0.0402(7) Uani 1 1 d . . .
O2 O 0.2004(2) 0.6174(2) 0.12001(12) 0.0470(8) Uani 1 1 d . . .
O3 O 0.1910(2) 0.6410(2) 0.01384(11) 0.0426(8) Uani 1 1 d . . .
O4 O 0.5201(3) 0.6592(2) -0.07782(11) 0.0486(9) Uani 1 1 d . . .
O5 O 0.7161(3) 0.6579(3) -0.12468(12) 0.0559(10) Uani 1 1 d . . .
O6 O 0.6482(2) 0.5976(2) 0.30149(11) 0.0483(9) Uani 1 1 d . . .
O7 O 0.2895(3) 0.6347(2) 0.39332(12) 0.0499(9) Uani 1 1 d . . .
O8 O 0.3426(3) 0.6301(2) 0.49909(12) 0.0507(9) Uani 1 1 d . . .
O9 O 0.7213(3) 0.6713(3) 0.55950(13) 0.0552(9) Uani 1 1 d . . .
O10 O 0.9364(3) 0.6707(3) 0.58796(12) 0.0554(9) Uani 1 1 d . . .
O11 O 0.6078(3) 0.4269(2) 0.24753(13) 0.0528(9) Uani 1 1 d . . .
O12 O 0.7546(3) 0.4053(3) 0.30145(14) 0.0612(10) Uani 1 1 d . . .
O13 O 0.6100(4) 0.3167(3) 0.3099(2) 0.1086(18) Uani 1 1 d . . .
O14 O 0.7831(3) 0.3914(2) 0.18236(13) 0.0532(9) Uani 1 1 d . . .
O15 O 0.9360(3) 0.4486(2) 0.21944(14) 0.0537(9) Uani 1 1 d . . .
O16 O 0.9402(3) 0.3219(3) 0.16934(17) 0.0805(13) Uani 1 1 d . . .
O17 O 0.7737(3) 0.7100(2) 0.22910(13) 0.0531(9) Uani 1 1 d . . .
O18 O 0.9352(3) 0.6442(3) 0.22767(13) 0.0570(10) Uani 1 1 d . . .
O19 O 0.9178(4) 0.7976(3) 0.21656(16) 0.0825(13) Uani 1 1 d . . .
O20 O 0.3645(6) 0.4368(6) 0.2625(2) 0.200(4) Uani 1 1 d D . .
H20A H 0.3858 0.3786 0.2724 0.300 Uiso 1 1 d RD . .
H20B H 0.2947 0.4513 0.2759 0.300 Uiso 1 1 d RD . .
N1 N 0.8009(3) 0.5748(3) 0.13234(13) 0.0373(9) Uani 1 1 d . . .
N2 N 0.8641(3) 0.5762(3) 0.33173(14) 0.0407(9) Uani 1 1 d . . .
N3 N 0.6559(4) 0.3798(4) 0.28671(19) 0.0648(13) Uani 1 1 d . . .
N4 N 0.8879(4) 0.3846(3) 0.18992(17) 0.0523(11) Uani 1 1 d . . .
N5 N 0.8784(4) 0.7199(4) 0.22422(15) 0.0585(13) Uani 1 1 d . . .
C1 C 0.6050(3) 0.5930(3) 0.12774(16) 0.0298(10) Uani 1 1 d . . .
C2 C 0.5011(3) 0.6072(3) 0.09535(16) 0.0291(9) Uani 1 1 d . . .
C3 C 0.4020(4) 0.6074(3) 0.12372(16) 0.0348(10) Uani 1 1 d . . .
H3 H 0.4065 0.6005 0.1619 0.042 Uiso 1 1 calc R . .
C4 C 0.3004(4) 0.6173(3) 0.09630(16) 0.0345(10) Uani 1 1 d . . .
C5 C 0.2049(4) 0.6191(4) 0.17901(18) 0.0607(16) Uani 1 1 d . . .
H5A H 0.1309 0.6269 0.1911 0.091 Uiso 1 1 calc R . .
H5B H 0.2510 0.6707 0.1924 0.091 Uiso 1 1 calc R . .
H5C H 0.2358 0.5609 0.1932 0.091 Uiso 1 1 calc R . .
C6 C 0.2954(4) 0.6292(3) 0.03810(17) 0.0347(10) Uani 1 1 d . . .
C7 C 0.1797(4) 0.6622(4) -0.04399(18) 0.0504(13) Uani 1 1 d . . .
H7A H 0.2141 0.6132 -0.0642 0.076 Uiso 1 1 calc R . .
H7B H 0.2155 0.7213 -0.0506 0.076 Uiso 1 1 calc R . .
H7C H 0.1019 0.6664 -0.0559 0.076 Uiso 1 1 calc R . .
C8 C 0.3916(3) 0.6295(3) 0.01013(16) 0.0313(10) Uani 1 1 d . . .
H8 H 0.3859 0.6368 -0.0280 0.038 Uiso 1 1 calc R . .
C9 C 0.4982(3) 0.6191(3) 0.03734(15) 0.0274(9) Uani 1 1 d . . .
C10 C 0.6040(3) 0.6201(3) 0.00937(16) 0.0287(9) Uani 1 1 d . . .
C11 C 0.6124(4) 0.6362(3) -0.04688(16) 0.0327(10) Uani 1 1 d . . .
C12 C 0.4964(4) 0.6368(3) -0.13519(18) 0.0474(13) Uani 1 1 d . . .
H12A H 0.5219 0.6871 -0.1576 0.071 Uiso 1 1 calc R . .
H12B H 0.4173 0.6287 -0.1425 0.071 Uiso 1 1 calc R . .
H12C H 0.5341 0.5794 -0.1438 0.071 Uiso 1 1 calc R . .
C13 C 0.7199(4) 0.6355(3) -0.07066(17) 0.0362(11) Uani 1 1 d . . .
C14 C 0.8203(4) 0.6576(4) -0.1507(2) 0.0652(16) Uani 1 1 d . . .
H14A H 0.8075 0.6757 -0.1888 0.098 Uiso 1 1 calc R . .
H14B H 0.8521 0.5954 -0.1486 0.098 Uiso 1 1 calc R . .
H14C H 0.8709 0.7015 -0.1322 0.098 Uiso 1 1 calc R . .
C15 C 0.8158(4) 0.6176(3) -0.03913(17) 0.0402(11) Uani 1 1 d . . .
H15 H 0.8840 0.6159 -0.0553 0.048 Uiso 1 1 calc R . .
C16 C 0.8113(3) 0.6018(3) 0.01789(17) 0.0336(10) Uani 1 1 d . . .
C17 C 0.9077(4) 0.5874(3) 0.05307(17) 0.0407(11) Uani 1 1 d . . .
H17 H 0.9775 0.5867 0.0385 0.049 Uiso 1 1 calc R . .
C18 C 0.8997(4) 0.5745(4) 0.10829(17) 0.0419(12) Uani 1 1 d . . .
H18 H 0.9649 0.5651 0.1305 0.050 Uiso 1 1 calc R . .
C19 C 0.7086(3) 0.5902(3) 0.09951(16) 0.0297(9) Uani 1 1 d . . .
C20 C 0.7068(3) 0.6040(3) 0.04188(15) 0.0283(9) Uani 1 1 d . . .
C21 C 0.6758(4) 0.6025(3) 0.35177(16) 0.0346(10) Uani 1 1 d . . .
C22 C 0.5954(3) 0.6151(3) 0.39232(16) 0.0314(10) Uani 1 1 d . . .
C23 C 0.4826(3) 0.6171(3) 0.37310(17) 0.0353(10) Uani 1 1 d . . .
H23 H 0.4638 0.6122 0.3354 0.042 Uiso 1 1 calc R . .
C24 C 0.4005(4) 0.6260(3) 0.40841(18) 0.0375(11) Uani 1 1 d . . .
C25 C 0.2622(4) 0.6478(4) 0.3348(2) 0.0613(15) Uani 1 1 d . . .
H25A H 0.2714 0.5892 0.3158 0.092 Uiso 1 1 calc R . .
H25B H 0.3109 0.6945 0.3208 0.092 Uiso 1 1 calc R . .
H25C H 0.1861 0.6685 0.3291 0.092 Uiso 1 1 calc R . .
C26 C 0.4302(4) 0.6275(3) 0.46579(18) 0.0368(10) Uani 1 1 d . . .
C27 C 0.3672(4) 0.6325(3) 0.55752(18) 0.0519(13) Uani 1 1 d . . .
H27A H 0.4129 0.6865 0.5670 0.078 Uiso 1 1 calc R . .
H27B H 0.4066 0.5761 0.5690 0.078 Uiso 1 1 calc R . .
H27C H 0.2989 0.6365 0.5758 0.078 Uiso 1 1 calc R . .
C28 C 0.5408(4) 0.6261(3) 0.48527(17) 0.0361(10) Uani 1 1 d . . .
H28 H 0.5584 0.6273 0.5232 0.043 Uiso 1 1 calc R . .
C29 C 0.6279(4) 0.6230(3) 0.44911(16) 0.0315(10) Uani 1 1 d . . .
C30 C 0.7479(4) 0.6246(3) 0.46722(16) 0.0342(10) Uani 1 1 d . . .
C31 C 0.7908(4) 0.6441(3) 0.52069(17) 0.0387(11) Uani 1 1 d . . .
C32 C 0.7198(5) 0.6227(5) 0.6104(2) 0.083(2) Uani 1 1 d . . .
H32A H 0.7511 0.5609 0.6066 0.124 Uiso 1 1 calc R . .
H32B H 0.6442 0.6172 0.6207 0.124 Uiso 1 1 calc R . .
H32C H 0.7631 0.6571 0.6384 0.124 Uiso 1 1 calc R . .
C33 C 0.9094(4) 0.6464(3) 0.53495(17) 0.0408(12) Uani 1 1 d . . .
C34 C 1.0535(4) 0.6762(4) 0.60561(19) 0.0685(17) Uani 1 1 d . . .
H34A H 1.0890 0.7227 0.5839 0.103 Uiso 1 1 calc R . .
H34B H 1.0880 0.6160 0.6007 0.103 Uiso 1 1 calc R . .
H34C H 1.0615 0.6937 0.6439 0.103 Uiso 1 1 calc R . .
C35 C 0.9833(4) 0.6265(3) 0.49668(18) 0.0435(12) Uani 1 1 d . . .
H35 H 1.0595 0.6258 0.5066 0.052 Uiso 1 1 calc R . .
C36 C 0.9441(4) 0.6069(3) 0.44169(17) 0.0371(11) Uani 1 1 d . . .
C37 C 1.0156(4) 0.5858(4) 0.40038(18) 0.0498(13) Uani 1 1 d . . .
H37 H 1.0923 0.5829 0.4089 0.060 Uiso 1 1 calc R . .
C38 C 0.9738(4) 0.5692(4) 0.34724(18) 0.0482(13) Uani 1 1 d . . .
H38 H 1.0230 0.5525 0.3209 0.058 Uiso 1 1 calc R . .
C39 C 0.7946(4) 0.5938(3) 0.37126(16) 0.0329(10) Uani 1 1 d . . .
C40 C 0.8278(4) 0.6082(3) 0.42710(16) 0.0328(10) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.361(3) . ?
Dy1 O6 2.386(3) . ?
Dy1 O11 2.546(3) . ?
Dy1 O12 2.504(3) . ?
Dy1 O14 2.470(3) . ?
Dy1 O15 2.429(3) . ?
Dy1 O17 2.424(3) . ?
Dy1 O18 2.498(3) . ?
Dy1 N1 2.598(3) . ?
Dy1 N2 2.587(3) . ?
Dy1 N4 2.872(5) . ?
Dy1 N5 2.892(5) . ?
O1 C1 1.257(4) . ?
O2 C4 1.364(5) . ?
O2 C5 1.429(5) . ?
O3 C6 1.359(5) . ?
O3 C7 1.432(5) . ?
O4 C11 1.337(5) . ?
O4 C12 1.438(5) . ?
O5 C13 1.347(5) . ?
O5 C14 1.438(5) . ?
O6 C21 1.245(4) . ?
O7 C24 1.363(5) . ?
O7 C25 1.447(5) . ?
O8 C26 1.369(5) . ?
O8 C27 1.429(5) . ?
O9 C31 1.355(5) . ?
O9 C32 1.415(6) . ?
O10 C33 1.350(5) . ?
O10 C34 1.444(5) . ?
O11 N3 1.269(5) . ?
O12 N3 1.267(5) . ?
O13 N3 1.208(6) . ?
O14 N4 1.262(5) . ?
O15 N4 1.270(5) . ?
O16 N4 1.215(5) . ?
O17 N5 1.277(5) . ?
O18 N5 1.270(6) . ?
O19 N5 1.218(5) . ?
O20 H20A 0.8917 . ?
O20 H20B 0.9411 . ?
N1 C18 1.356(5) . ?
N1 C19 1.339(5) . ?
N2 C38 1.348(5) . ?
N2 C39 1.336(5) . ?
C1 C2 1.442(5) . ?
C1 C19 1.460(6) . ?
C2 C3 1.414(6) . ?
C2 C9 1.416(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.357(5) . ?
C4 C6 1.420(5) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 C8 1.377(6) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8 0.9300 . ?
C8 C9 1.407(5) . ?
C9 C10 1.479(6) . ?
C10 C11 1.394(5) . ?
C10 C20 1.437(5) . ?
C11 C13 1.447(6) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C15 1.363(6) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15 0.9300 . ?
C15 C16 1.406(5) . ?
C16 C17 1.406(6) . ?
C16 C20 1.418(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.362(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.411(5) . ?
C21 C22 1.435(6) . ?
C21 C39 1.477(6) . ?
C22 C23 1.402(6) . ?
C22 C29 1.412(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.353(6) . ?
C24 C26 1.414(6) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C28 1.379(6) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28 0.9300 . ?
C28 C29 1.409(6) . ?
C29 C30 1.478(6) . ?
C30 C31 1.391(5) . ?
C30 C40 1.430(6) . ?
C31 C33 1.442(6) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C35 1.356(7) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35 0.9300 . ?
C35 C36 1.413(6) . ?
C36 C37 1.395(6) . ?
C36 C40 1.417(6) . ?
C37 H37 0.9300 . ?
C37 C38 1.373(6) . ?
C38 H38 0.9300 . ?
C39 C40 1.402(5) . ?

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 O6 78.05(9) . . ?
O1 Dy1 O11 67.44(10) . . ?
O1 Dy1 O12 117.54(11) . . ?
O1 Dy1 O14 89.10(10) . . ?
O1 Dy1 O15 133.44(10) . . ?
O1 Dy1 O17 75.21(11) . . ?
O1 Dy1 O18 116.15(12) . . ?
O1 Dy1 N1 64.19(10) . . ?
O1 Dy1 N2 140.17(11) . . ?
O1 Dy1 N4 111.71(11) . . ?
O1 Dy1 N5 95.30(13) . . ?
O6 Dy1 O11 68.49(11) . . ?
O6 Dy1 O12 75.93(12) . . ?
O6 Dy1 O14 135.04(11) . . ?
O6 Dy1 O15 146.54(10) . . ?
O6 Dy1 O17 73.32(11) . . ?
O6 Dy1 O18 111.60(12) . . ?
O6 Dy1 N1 135.64(11) . . ?
O6 Dy1 N2 64.59(10) . . ?
O6 Dy1 N4 149.43(12) . . ?
O6 Dy1 N5 93.23(13) . . ?
O11 Dy1 N1 113.22(10) . . ?
O11 Dy1 N2 108.18(11) . . ?
O11 Dy1 N4 88.07(12) . . ?
O11 Dy1 N5 156.60(14) . . ?
O12 Dy1 O11 50.28(11) . . ?
O12 Dy1 N1 141.66(12) . . ?
O12 Dy1 N2 67.51(12) . . ?
O12 Dy1 N4 73.95(12) . . ?
O12 Dy1 N5 141.51(11) . . ?
O14 Dy1 O11 66.78(11) . . ?
O14 Dy1 O12 72.43(12) . . ?
O14 Dy1 O18 112.73(12) . . ?
O14 Dy1 N1 69.28(12) . . ?
O14 Dy1 N2 126.93(11) . . ?
O14 Dy1 N4 25.95(10) . . ?
O14 Dy1 N5 131.09(12) . . ?
O15 Dy1 O11 109.14(12) . . ?
O15 Dy1 O12 78.06(12) . . ?
O15 Dy1 O14 51.99(10) . . ?
O15 Dy1 O18 68.69(13) . . ?
O15 Dy1 N1 77.13(11) . . ?
O15 Dy1 N2 86.18(11) . . ?
O15 Dy1 N4 26.05(10) . . ?
O15 Dy1 N5 94.18(14) . . ?
O17 Dy1 O11 130.70(12) . . ?
O17 Dy1 O12 143.11(11) . . ?
O17 Dy1 O14 144.43(11) . . ?
O17 Dy1 O15 119.90(12) . . ?
O17 Dy1 O18 51.84(12) . . ?
O17 Dy1 N1 75.15(11) . . ?
O17 Dy1 N2 81.07(11) . . ?
O17 Dy1 N4 136.55(12) . . ?
O17 Dy1 N5 25.92(13) . . ?
O18 Dy1 O11 176.41(11) . . ?
O18 Dy1 O12 126.13(12) . . ?
O18 Dy1 N1 69.38(11) . . ?
O18 Dy1 N2 69.09(11) . . ?
O18 Dy1 N4 90.57(13) . . ?
O18 Dy1 N5 25.96(12) . . ?
N1 Dy1 N4 70.89(12) . . ?
N1 Dy1 N5 69.24(11) . . ?
N2 Dy1 N1 138.42(11) . . ?
N2 Dy1 N4 107.57(12) . . ?
N2 Dy1 N5 74.43(11) . . ?
N4 Dy1 N5 113.73(14) . . ?
C1 O1 Dy1 125.4(3) . . ?
C4 O2 C5 116.6(3) . . ?
C6 O3 C7 118.3(3) . . ?
C11 O4 C12 126.4(4) . . ?
C13 O5 C14 117.0(4) . . ?
C21 O6 Dy1 123.1(3) . . ?
C24 O7 C25 115.4(4) . . ?
C26 O8 C27 118.0(4) . . ?
C31 O9 C32 120.8(4) . . ?
C33 O10 C34 117.6(4) . . ?
N3 O11 Dy1 96.0(3) . . ?
N3 O12 Dy1 98.1(3) . . ?
N4 O14 Dy1 95.1(3) . . ?
N4 O15 Dy1 96.9(3) . . ?
N5 O17 Dy1 98.0(3) . . ?
N5 O18 Dy1 94.6(3) . . ?
H20A O20 H20B 110.8 . . ?
C18 N1 Dy1 126.9(3) . . ?
C19 N1 Dy1 115.9(3) . . ?
C19 N1 C18 117.2(4) . . ?
C38 N2 Dy1 126.8(3) . . ?
C39 N2 Dy1 115.5(3) . . ?
C39 N2 C38 117.2(4) . . ?
O12 N3 O11 115.6(5) . . ?
O13 N3 O11 122.6(5) . . ?
O13 N3 O12 121.7(5) . . ?
O14 N4 O15 116.0(4) . . ?
O16 N4 O14 122.2(4) . . ?
O16 N4 O15 121.8(4) . . ?
O18 N5 O17 115.4(5) . . ?
O19 N5 O17 120.5(6) . . ?
O19 N5 O18 124.1(5) . . ?
O1 C1 C2 122.0(4) . . ?
O1 C1 C19 119.3(4) . . ?
C2 C1 C19 118.7(4) . . ?
C3 C2 C1 117.4(4) . . ?
C3 C2 C9 121.2(4) . . ?
C9 C2 C1 121.5(4) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 C2 121.3(4) . . ?
C4 C3 H3 119.4 . . ?
O2 C4 C6 116.1(4) . . ?
C3 C4 O2 125.4(4) . . ?
C3 C4 C6 118.5(4) . . ?
O2 C5 H5A 109.5 . . ?
O2 C5 H5B 109.5 . . ?
O2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O3 C6 C4 115.0(4) . . ?
O3 C6 C8 124.4(4) . . ?
C8 C6 C4 120.7(4) . . ?
O3 C7 H7A 109.5 . . ?
O3 C7 H7B 109.5 . . ?
O3 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8 118.9 . . ?
C6 C8 C9 122.2(4) . . ?
C9 C8 H8 118.9 . . ?
C2 C9 C10 119.5(3) . . ?
C8 C9 C2 116.2(4) . . ?
C8 C9 C10 124.4(4) . . ?
C11 C10 C9 124.8(4) . . ?
C11 C10 C20 116.6(4) . . ?
C20 C10 C9 118.6(3) . . ?
O4 C11 C10 118.6(4) . . ?
O4 C11 C13 120.3(4) . . ?
C10 C11 C13 120.9(4) . . ?
O4 C12 H12A 109.5 . . ?
O4 C12 H12B 109.5 . . ?
O4 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O5 C13 C11 114.4(4) . . ?
O5 C13 C15 124.2(4) . . ?
C15 C13 C11 121.3(4) . . ?
O5 C14 H14A 109.5 . . ?
O5 C14 H14B 109.5 . . ?
O5 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15 120.1 . . ?
C13 C15 C16 119.7(4) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 C20 119.6(4) . . ?
C17 C16 C15 122.5(4) . . ?
C17 C16 C20 117.9(4) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.5(4) . . ?
C18 C17 H17 119.8 . . ?
N1 C18 C17 123.0(4) . . ?
N1 C18 H18 118.5 . . ?
C17 C18 H18 118.5 . . ?
N1 C19 C1 115.0(4) . . ?
N1 C19 C20 124.8(4) . . ?
C20 C19 C1 120.3(3) . . ?
C16 C20 C10 121.9(4) . . ?
C19 C20 C10 121.5(4) . . ?
C19 C20 C16 116.6(4) . . ?
O6 C21 C22 122.2(4) . . ?
O6 C21 C39 119.8(4) . . ?
C22 C21 C39 118.0(4) . . ?
C23 C22 C21 116.9(4) . . ?
C23 C22 C29 121.4(4) . . ?
C29 C22 C21 121.6(4) . . ?
C22 C23 H23 119.4 . . ?
C24 C23 C22 121.2(4) . . ?
C24 C23 H23 119.4 . . ?
O7 C24 C26 116.1(4) . . ?
C23 C24 O7 125.3(4) . . ?
C23 C24 C26 118.6(4) . . ?
O7 C25 H25A 109.5 . . ?
O7 C25 H25B 109.5 . . ?
O7 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O8 C26 C24 115.4(4) . . ?
O8 C26 C28 123.9(4) . . ?
C28 C26 C24 120.7(4) . . ?
O8 C27 H27A 109.5 . . ?
O8 C27 H27B 109.5 . . ?
O8 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28 119.2 . . ?
C26 C28 C29 121.6(4) . . ?
C29 C28 H28 119.2 . . ?
C22 C29 C30 119.5(4) . . ?
C28 C29 C22 116.2(4) . . ?
C28 C29 C30 124.3(4) . . ?
C31 C30 C29 125.0(4) . . ?
C31 C30 C40 116.4(4) . . ?
C40 C30 C29 118.6(4) . . ?
O9 C31 C30 119.9(4) . . ?
O9 C31 C33 118.1(4) . . ?
C30 C31 C33 121.7(4) . . ?
O9 C32 H32A 109.5 . . ?
O9 C32 H32B 109.5 . . ?
O9 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O10 C33 C31 113.9(4) . . ?
O10 C33 C35 125.4(4) . . ?
C35 C33 C31 120.8(4) . . ?
O10 C34 H34A 109.5 . . ?
O10 C34 H34B 109.5 . . ?
O10 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35 120.1 . . ?
C33 C35 C36 119.7(4) . . ?
C36 C35 H35 120.1 . . ?
C35 C36 C40 119.6(4) . . ?
C37 C36 C35 122.6(4) . . ?
C37 C36 C40 117.8(4) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 C36 120.5(4) . . ?
C38 C37 H37 119.7 . . ?
N2 C38 C37 122.6(4) . . ?
N2 C38 H38 118.7 . . ?
C37 C38 H38 118.7 . . ?
N2 C39 C21 114.9(3) . . ?
N2 C39 C40 124.8(4) . . ?
C40 C39 C21 120.3(4) . . ?
C36 C40 C30 121.7(4) . . ?
C39 C40 C30 121.4(4) . . ?
C39 C40 C36 116.8(4) . . ?

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
Dy1 O1 C1 C2 173.2(3) . . . . ?
Dy1 O1 C1 C19 -4.1(6) . . . . ?
Dy1 O6 C21 C22 -164.4(3) . . . . ?
Dy1 O6 C21 C39 14.8(6) . . . . ?
Dy1 O11 N3 O12 -0.6(5) . . . . ?
Dy1 O11 N3 O13 177.1(5) . . . . ?
Dy1 O12 N3 O11 0.6(5) . . . . ?
Dy1 O12 N3 O13 -177.1(5) . . . . ?
Dy1 O14 N4 O15 1.5(4) . . . . ?
Dy1 O14 N4 O16 -177.0(4) . . . . ?
Dy1 O15 N4 O14 -1.6(4) . . . . ?
Dy1 O15 N4 O16 177.0(4) . . . . ?
Dy1 O17 N5 O18 -3.9(4) . . . . ?
Dy1 O17 N5 O19 175.8(4) . . . . ?
Dy1 O18 N5 O17 3.8(4) . . . . ?
Dy1 O18 N5 O19 -175.9(4) . . . . ?
Dy1 N1 C18 C17 175.2(3) . . . . ?
Dy1 N1 C19 C1 5.1(5) . . . . ?
Dy1 N1 C19 C20 -175.3(3) . . . . ?
Dy1 N2 C38 C37 -176.6(4) . . . . ?
Dy1 N2 C39 C21 -8.1(5) . . . . ?
Dy1 N2 C39 C40 174.9(3) . . . . ?
O1 Dy1 O6 C21 -179.1(4) . . . . ?
O1 Dy1 O11 N3 -174.5(3) . . . . ?
O1 Dy1 O12 N3 5.0(3) . . . . ?
O1 Dy1 O14 N4 151.3(3) . . . . ?
O1 Dy1 O15 N4 -39.0(3) . . . . ?
O1 Dy1 O17 N5 -139.6(3) . . . . ?
O1 Dy1 O18 N5 39.4(3) . . . . ?
O1 Dy1 N1 C18 178.5(5) . . . . ?
O1 Dy1 N1 C19 -5.0(3) . . . . ?
O1 Dy1 N2 C38 -155.4(4) . . . . ?
O1 Dy1 N2 C39 32.5(4) . . . . ?
O1 C1 C2 C3 1.3(6) . . . . ?
O1 C1 C2 C9 -177.8(4) . . . . ?
O1 C1 C19 N1 -1.3(6) . . . . ?
O1 C1 C19 C20 179.2(4) . . . . ?
O2 C4 C6 O3 1.2(6) . . . . ?
O2 C4 C6 C8 -179.5(4) . . . . ?
O3 C6 C8 C9 178.5(4) . . . . ?
O4 C11 C13 O5 -0.9(6) . . . . ?
O4 C11 C13 C15 176.1(4) . . . . ?
O5 C13 C15 C16 175.2(4) . . . . ?
O6 Dy1 O1 C1 160.9(3) . . . . ?
O6 Dy1 O11 N3 -88.9(3) . . . . ?
O6 Dy1 O12 N3 73.2(3) . . . . ?
O6 Dy1 O14 N4 -136.6(2) . . . . ?
O6 Dy1 O15 N4 117.4(3) . . . . ?
O6 Dy1 O17 N5 138.7(3) . . . . ?
O6 Dy1 O18 N5 -47.6(3) . . . . ?
O6 Dy1 N1 C18 143.9(4) . . . . ?
O6 Dy1 N1 C19 -39.6(4) . . . . ?
O6 Dy1 N2 C38 -177.3(4) . . . . ?
O6 Dy1 N2 C39 10.5(3) . . . . ?
O6 C21 C22 C23 3.1(7) . . . . ?
O6 C21 C22 C29 -178.4(4) . . . . ?
O6 C21 C39 N2 -3.2(6) . . . . ?
O6 C21 C39 C40 173.9(4) . . . . ?
O7 C24 C26 O8 4.8(6) . . . . ?
O7 C24 C26 C28 -175.2(4) . . . . ?
O8 C26 C28 C29 179.8(4) . . . . ?
O9 C31 C33 O10 3.9(6) . . . . ?
O9 C31 C33 C35 -175.3(4) . . . . ?
O10 C33 C35 C36 -176.6(4) . . . . ?
O11 Dy1 O1 C1 -127.6(3) . . . . ?
O11 Dy1 O6 C21 110.6(4) . . . . ?
O11 Dy1 O12 N3 -0.4(3) . . . . ?
O11 Dy1 O14 N4 -142.9(3) . . . . ?
O11 Dy1 O15 N4 37.7(3) . . . . ?
O11 Dy1 O17 N5 179.0(2) . . . . ?
O11 Dy1 N1 C18 -133.7(4) . . . . ?
O11 Dy1 N1 C19 42.8(3) . . . . ?
O11 Dy1 N2 C38 128.3(4) . . . . ?
O11 Dy1 N2 C39 -43.8(4) . . . . ?
O12 Dy1 O1 C1 -132.1(3) . . . . ?
O12 Dy1 O6 C21 58.2(4) . . . . ?
O12 Dy1 O11 N3 0.4(3) . . . . ?
O12 Dy1 O14 N4 -89.3(3) . . . . ?
O12 Dy1 O15 N4 77.8(3) . . . . ?
O12 Dy1 O17 N5 104.0(3) . . . . ?
O12 Dy1 O18 N5 -135.6(2) . . . . ?
O12 Dy1 N1 C18 -79.0(4) . . . . ?
O12 Dy1 N1 C19 97.5(3) . . . . ?
O12 Dy1 N2 C38 98.1(4) . . . . ?
O12 Dy1 N2 C39 -74.1(3) . . . . ?
O14 Dy1 O1 C1 -62.5(3) . . . . ?
O14 Dy1 O6 C21 104.4(4) . . . . ?
O14 Dy1 O11 N3 86.3(3) . . . . ?
O14 Dy1 O12 N3 -74.4(3) . . . . ?
O14 Dy1 O15 N4 0.9(2) . . . . ?
O14 Dy1 O17 N5 -73.0(3) . . . . ?
O14 Dy1 O18 N5 140.1(2) . . . . ?
O14 Dy1 N1 C18 -82.1(4) . . . . ?
O14 Dy1 N1 C19 94.4(3) . . . . ?
O14 Dy1 N2 C38 54.1(4) . . . . ?
O14 Dy1 N2 C39 -118.0(3) . . . . ?
O15 Dy1 O1 C1 -32.2(4) . . . . ?
O15 Dy1 O6 C21 18.2(5) . . . . ?
O15 Dy1 O11 N3 55.4(3) . . . . ?
O15 Dy1 O12 N3 -128.1(3) . . . . ?
O15 Dy1 O14 N4 -0.9(2) . . . . ?
O15 Dy1 O17 N5 -7.7(3) . . . . ?
O15 Dy1 O18 N5 168.5(3) . . . . ?
O15 Dy1 N1 C18 -28.1(4) . . . . ?
O15 Dy1 N1 C19 148.4(3) . . . . ?
O15 Dy1 N2 C38 19.4(4) . . . . ?
O15 Dy1 N2 C39 -152.7(3) . . . . ?
O17 Dy1 O1 C1 85.2(3) . . . . ?
O17 Dy1 O6 C21 -101.2(4) . . . . ?
O17 Dy1 O11 N3 -130.7(3) . . . . ?
O17 Dy1 O12 N3 107.4(3) . . . . ?
O17 Dy1 O14 N4 88.8(3) . . . . ?
O17 Dy1 O15 N4 -136.9(3) . . . . ?
O17 Dy1 O18 N5 -2.3(2) . . . . ?
O17 Dy1 N1 C18 98.0(4) . . . . ?
O17 Dy1 N1 C19 -85.5(3) . . . . ?
O17 Dy1 N2 C38 -101.6(4) . . . . ?
O17 Dy1 N2 C39 86.2(3) . . . . ?
O18 Dy1 O1 C1 52.5(4) . . . . ?
O18 Dy1 O6 C21 -65.5(4) . . . . ?
O18 Dy1 O12 N3 179.9(3) . . . . ?
O18 Dy1 O14 N4 33.2(3) . . . . ?
O18 Dy1 O15 N4 -145.3(3) . . . . ?
O18 Dy1 O17 N5 2.3(2) . . . . ?
O18 Dy1 N1 C18 43.7(4) . . . . ?
O18 Dy1 N1 C19 -139.8(3) . . . . ?
O18 Dy1 N2 C38 -49.2(4) . . . . ?
O18 Dy1 N2 C39 138.6(4) . . . . ?
N1 Dy1 O1 C1 4.8(3) . . . . ?
N1 Dy1 O6 C21 -147.6(3) . . . . ?
N1 Dy1 O11 N3 139.2(3) . . . . ?
N1 Dy1 O12 N3 -77.4(4) . . . . ?
N1 Dy1 O14 N4 88.7(3) . . . . ?
N1 Dy1 O15 N4 -72.7(3) . . . . ?
N1 Dy1 O17 N5 -72.9(2) . . . . ?
N1 Dy1 O18 N5 84.7(3) . . . . ?
N1 Dy1 N2 C38 -46.3(5) . . . . ?
N1 Dy1 N2 C39 141.6(3) . . . . ?
N1 C19 C20 C10 179.9(4) . . . . ?
N1 C19 C20 C16 -0.6(6) . . . . ?
N2 Dy1 O1 C1 140.7(3) . . . . ?
N2 Dy1 O6 C21 -13.3(3) . . . . ?
N2 Dy1 O11 N3 -36.9(3) . . . . ?
N2 Dy1 O12 N3 141.2(3) . . . . ?
N2 Dy1 O14 N4 -47.0(3) . . . . ?
N2 Dy1 O15 N4 145.6(3) . . . . ?
N2 Dy1 O17 N5 72.7(2) . . . . ?
N2 Dy1 O18 N5 -97.4(3) . . . . ?
N2 Dy1 N1 C18 40.7(5) . . . . ?
N2 Dy1 N1 C19 -142.8(3) . . . . ?
N2 C39 C40 C30 -178.6(4) . . . . ?
N2 C39 C40 C36 2.3(7) . . . . ?
N4 Dy1 O1 C1 -49.5(3) . . . . ?
N4 Dy1 O6 C21 68.2(4) . . . . ?
N4 Dy1 O11 N3 71.0(3) . . . . ?
N4 Dy1 O12 N3 -101.5(3) . . . . ?
N4 Dy1 O17 N5 -33.5(3) . . . . ?
N4 Dy1 O18 N5 154.0(2) . . . . ?
N4 Dy1 N1 C18 -54.5(4) . . . . ?
N4 Dy1 N1 C19 122.0(3) . . . . ?
N4 Dy1 N2 C38 34.5(4) . . . . ?
N4 Dy1 N2 C39 -137.7(3) . . . . ?
N5 Dy1 O1 C1 68.7(3) . . . . ?
N5 Dy1 O6 C21 -84.4(4) . . . . ?
N5 Dy1 O11 N3 -129.6(3) . . . . ?
N5 Dy1 O12 N3 150.4(3) . . . . ?
N5 Dy1 O14 N4 55.1(3) . . . . ?
N5 Dy1 O15 N4 -140.3(3) . . . . ?
N5 Dy1 N1 C18 71.5(4) . . . . ?
N5 Dy1 N1 C19 -112.1(3) . . . . ?
N5 Dy1 N2 C38 -76.0(4) . . . . ?
N5 Dy1 N2 C39 111.9(4) . . . . ?
C1 C2 C3 C4 -177.9(4) . . . . ?
C1 C2 C9 C8 178.1(4) . . . . ?
C1 C2 C9 C10 -2.0(6) . . . . ?
C1 C19 C20 C10 -0.6(6) . . . . ?
C1 C19 C20 C16 179.0(4) . . . . ?
C2 C1 C19 N1 -178.7(4) . . . . ?
C2 C1 C19 C20 1.8(6) . . . . ?
C2 C3 C4 O2 179.3(4) . . . . ?
C2 C3 C4 C6 -1.1(7) . . . . ?
C2 C9 C10 C11 -176.4(4) . . . . ?
C2 C9 C10 C20 3.1(6) . . . . ?
C3 C2 C9 C8 -0.9(6) . . . . ?
C3 C2 C9 C10 179.0(4) . . . . ?
C3 C4 C6 O3 -178.4(4) . . . . ?
C3 C4 C6 C8 0.8(7) . . . . ?
C4 C6 C8 C9 -0.7(7) . . . . ?
C5 O2 C4 C3 8.4(7) . . . . ?
C5 O2 C4 C6 -171.3(4) . . . . ?
C6 C8 C9 C2 0.7(6) . . . . ?
C6 C8 C9 C10 -179.2(4) . . . . ?
C7 O3 C6 C4 174.3(4) . . . . ?
C7 O3 C6 C8 -4.9(7) . . . . ?
C8 C9 C10 C11 3.5(7) . . . . ?
C8 C9 C10 C20 -177.0(4) . . . . ?
C9 C2 C3 C4 1.2(7) . . . . ?
C9 C10 C11 O4 5.0(6) . . . . ?
C9 C10 C11 C13 -179.8(4) . . . . ?
C9 C10 C20 C16 178.6(4) . . . . ?
C9 C10 C20 C19 -1.9(6) . . . . ?
C10 C11 C13 O5 -176.1(4) . . . . ?
C10 C11 C13 C15 1.0(7) . . . . ?
C11 C10 C20 C16 -1.8(6) . . . . ?
C11 C10 C20 C19 177.7(4) . . . . ?
C11 C13 C15 C16 -1.6(7) . . . . ?
C12 O4 C11 C10 -148.9(4) . . . . ?
C12 O4 C11 C13 35.9(7) . . . . ?
C13 C15 C16 C17 -176.9(4) . . . . ?
C13 C15 C16 C20 0.4(7) . . . . ?
C14 O5 C13 C11 -179.5(5) . . . . ?
C14 O5 C13 C15 3.5(7) . . . . ?
C15 C16 C17 C18 178.4(4) . . . . ?
C15 C16 C20 C10 1.3(7) . . . . ?
C15 C16 C20 C19 -178.2(4) . . . . ?
C16 C17 C18 N1 0.0(8) . . . . ?
C17 C16 C20 C10 178.8(4) . . . . ?
C17 C16 C20 C19 -0.7(6) . . . . ?
C18 N1 C19 C1 -178.0(4) . . . . ?
C18 N1 C19 C20 1.5(7) . . . . ?
C19 N1 C18 C17 -1.2(7) . . . . ?
C19 C1 C2 C3 178.6(4) . . . . ?
C19 C1 C2 C9 -0.5(6) . . . . ?
C20 C10 C11 O4 -174.6(4) . . . . ?
C20 C10 C11 C13 0.7(6) . . . . ?
C20 C16 C17 C18 1.0(7) . . . . ?
C21 C22 C23 C24 178.1(4) . . . . ?
C21 C22 C29 C28 -174.1(4) . . . . ?
C21 C22 C29 C30 4.1(7) . . . . ?
C21 C39 C40 C30 4.6(7) . . . . ?
C21 C39 C40 C36 -174.6(4) . . . . ?
C22 C21 C39 N2 175.9(4) . . . . ?
C22 C21 C39 C40 -6.9(6) . . . . ?
C22 C23 C24 O7 175.5(4) . . . . ?
C22 C23 C24 C26 -3.8(7) . . . . ?
C22 C29 C30 C31 171.3(4) . . . . ?
C22 C29 C30 C40 -6.5(6) . . . . ?
C23 C22 C29 C28 4.3(6) . . . . ?
C23 C22 C29 C30 -177.4(4) . . . . ?
C23 C24 C26 O8 -175.7(4) . . . . ?
C23 C24 C26 C28 4.2(7) . . . . ?
C24 C26 C28 C29 -0.2(7) . . . . ?
C25 O7 C24 C23 -8.6(7) . . . . ?
C25 O7 C24 C26 170.7(4) . . . . ?
C26 C28 C29 C22 -4.0(7) . . . . ?
C26 C28 C29 C30 177.8(4) . . . . ?
C27 O8 C26 C24 -179.5(4) . . . . ?
C27 O8 C26 C28 0.6(7) . . . . ?
C28 C29 C30 C31 -10.5(7) . . . . ?
C28 C29 C30 C40 171.6(4) . . . . ?
C29 C22 C23 C24 -0.5(7) . . . . ?
C29 C30 C31 O9 -5.6(7) . . . . ?
C29 C30 C31 C33 -178.6(4) . . . . ?
C29 C30 C40 C36 -178.7(4) . . . . ?
C29 C30 C40 C39 2.1(7) . . . . ?
C30 C31 C33 O10 177.1(4) . . . . ?
C30 C31 C33 C35 -2.1(7) . . . . ?
C31 C30 C40 C36 3.2(7) . . . . ?
C31 C30 C40 C39 -175.9(4) . . . . ?
C31 C33 C35 C36 2.5(7) . . . . ?
C32 O9 C31 C30 125.9(5) . . . . ?
C32 O9 C31 C33 -60.8(6) . . . . ?
C33 C35 C36 C37 -179.9(5) . . . . ?
C33 C35 C36 C40 0.0(7) . . . . ?
C34 O10 C33 C31 -179.0(4) . . . . ?
C34 O10 C33 C35 0.2(7) . . . . ?
C35 C36 C37 C38 -178.6(5) . . . . ?
C35 C36 C40 C30 -3.0(7) . . . . ?
C35 C36 C40 C39 176.2(4) . . . . ?
C36 C37 C38 N2 2.9(8) . . . . ?
C37 C36 C40 C30 176.9(4) . . . . ?
C37 C36 C40 C39 -3.9(7) . . . . ?
C38 N2 C39 C21 179.0(4) . . . . ?
C38 N2 C39 C40 1.9(7) . . . . ?
C39 N2 C38 C37 -4.6(8) . . . . ?
C39 C21 C22 C23 -176.1(4) . . . . ?
C39 C21 C22 C29 2.5(7) . . . . ?
C40 C30 C31 O9 172.3(4) . . . . ?
C40 C30 C31 C33 -0.7(7) . . . . ?
C40 C36 C37 C38 1.5(8) . . . . ?

