# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_complex_1
_database_code_depnum_ccdc_archive 'CCDC 2053373'
loop_
_audit_author_name
_audit_author_address
'Hui-Sheng Wang'
;Wuhan Institute of Technology
China
;
_audit_update_record             
;
2020-12-31 deposited with the CCDC.	2021-03-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H44 Dy N4 Na O10'
_chemical_formula_weight         998.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Na Na 0.0362 0.0249 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   22.3221(6)
_cell_length_b                   11.7740(3)
_cell_length_c                   16.2459(4)
_cell_angle_alpha                90
_cell_angle_beta                 90.1500(10)
_cell_angle_gamma                90
_cell_volume                     4269.74(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    8718
_cell_measurement_theta_min      2.74
_cell_measurement_theta_max      25.34

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_F_000             2020
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.06
_exptl_absorpt_coefficient_mu    1.825
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5682
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            35053
_diffrn_reflns_av_unetI/netI     0.0518
_diffrn_reflns_av_R_equivalents  0.0705
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.514
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_full        24.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             7474
_reflns_number_gt                4608
_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    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0064P)²+30.1115P] 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         7474
_refine_ls_number_parameters     566
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0964
_refine_ls_R_factor_gt           0.0471
_refine_ls_wR_factor_ref         0.1019
_refine_ls_wR_factor_gt          0.0881
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_restrained_S_all      1.085
_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 0.2861(3) 0.9091(6) 0.4711(4) 0.0251(14) Uani 1 1 d . . . . .
C2 C 0.3401(3) 0.8589(6) 0.4991(4) 0.0331(16) Uani 1 1 d . . . . .
C3 C 0.3405(3) 0.7713(6) 0.5566(5) 0.0396(19) Uani 1 1 d . . . . .
H3 H 0.3774 0.7397 0.5746 0.048 Uiso 1 1 calc R U . . .
C4 C 0.2866(4) 0.7299(6) 0.5876(5) 0.0407(19) Uani 1 1 d . . . . .
H4 H 0.2869 0.6693 0.6262 0.049 Uiso 1 1 calc R U . . .
C5 C 0.2337(3) 0.7759(6) 0.5630(5) 0.0376(18) Uani 1 1 d . . . . .
H5 H 0.1973 0.7480 0.5853 0.045 Uiso 1 1 calc R U . . .
C6 C 0.2321(3) 0.8650(6) 0.5042(4) 0.0290(16) Uani 1 1 d . . . . .
C7 C 0.1741(3) 0.9068(6) 0.4794(4) 0.0301(16) Uani 1 1 d . . . . .
H7 H 0.1417 0.8929 0.5157 0.036 Uiso 1 1 calc R U . . .
C8 C 0.1021(2) 0.9923(6) 0.3944(3) 0.0246(13) Uani 1 1 d . . . . .
C9 C 0.0517(3) 0.9298(6) 0.4211(5) 0.0385(18) Uani 1 1 d . . . . .
H9 H 0.0565 0.8673 0.4575 0.046 Uiso 1 1 calc R U . . .
C10 C -0.0052(3) 0.9607(7) 0.3937(5) 0.047(2) Uani 1 1 d . . . . .
H10 H -0.0393 0.9194 0.4117 0.056 Uiso 1 1 calc R U . . .
C11 C -0.0123(3) 1.0513(7) 0.3403(5) 0.047(2) Uani 1 1 d . . . . .
H11 H -0.0513 1.0726 0.3225 0.057 Uiso 1 1 calc R U . . .
C12 C 0.0370(3) 1.1105(7) 0.3130(5) 0.0417(19) Uani 1 1 d . . . . .
H12 H 0.0319 1.1711 0.2750 0.050 Uiso 1 1 calc R U . . .
C13 C 0.0946(3) 1.0820(6) 0.3408(4) 0.0292(16) Uani 1 1 d . . . . .
C14 C 0.1452(3) 1.2409(6) 0.2947(4) 0.0300(17) Uani 1 1 d . . . . .
H14 H 0.1078 1.2767 0.3055 0.036 Uiso 1 1 calc R U . . .
C15 C 0.2514(3) 1.2764(5) 0.2523(4) 0.0298(16) Uani 1 1 d . . . . .
C16 C 0.1911(3) 1.3136(6) 0.2615(4) 0.0336(17) Uani 1 1 d . . . . .
C17 C 0.1742(4) 1.4240(6) 0.2370(5) 0.043(2) Uani 1 1 d . . . . .
H17 H 0.1342 1.4483 0.2464 0.052 Uiso 1 1 calc R U . . .
C18 C 0.2132(3) 1.4966(7) 0.2005(4) 0.0404(17) Uani 1 1 d . . . . .
H18 H 0.2007 1.5705 0.1844 0.049 Uiso 1 1 calc R U . . .
C19 C 0.2724(4) 1.4605(6) 0.1871(5) 0.044(2) Uani 1 1 d . . . . .
H19 H 0.3002 1.5101 0.1612 0.053 Uiso 1 1 calc R U . . .
C20 C 0.2902(3) 1.3549(6) 0.2111(4) 0.0355(17) Uani 1 1 d . . . . .
C21 C 0.4467(3) 0.8559(8) 0.4877(6) 0.063(3) Uani 1 1 d . . . . .
H21A H 0.4523 0.8609 0.5474 0.094 Uiso 1 1 calc R U . . .
H21B H 0.4794 0.8963 0.4600 0.094 Uiso 1 1 calc R U . . .
H21C H 0.4469 0.7760 0.4708 0.094 Uiso 1 1 calc R U . . .
C22 C 0.3893(4) 1.3815(7) 0.1560(5) 0.054(2) Uani 1 1 d . . . . .
H22A H 0.3736 1.4044 0.1021 0.081 Uiso 1 1 calc R U . . .
H22B H 0.4271 1.3404 0.1486 0.081 Uiso 1 1 calc R U . . .
H22C H 0.3963 1.4491 0.1899 0.081 Uiso 1 1 calc R U . . .
C23 C 0.3677(3) 0.8883(6) 0.2427(4) 0.0245(14) Uani 1 1 d . . . . .
C24 C 0.4236(3) 0.9132(6) 0.2053(4) 0.0323(16) Uani 1 1 d . . . . .
C25 C 0.4714(3) 0.8400(7) 0.2103(5) 0.0381(18) Uani 1 1 d . . . . .
H25 H 0.5089 0.8607 0.1872 0.046 Uiso 1 1 calc R U . . .
C26 C 0.4647(3) 0.7345(7) 0.2496(5) 0.048(2) Uani 1 1 d . . . . .
H26 H 0.4976 0.6838 0.2537 0.058 Uiso 1 1 calc R U . . .
C27 C 0.4100(3) 0.7054(6) 0.2822(5) 0.0373(18) Uani 1 1 d . . . . .
H27 H 0.4053 0.6334 0.3077 0.045 Uiso 1 1 calc R U . . .
C28 C 0.3611(3) 0.7800(6) 0.2785(4) 0.0279(15) Uani 1 1 d . . . . .
C29 C 0.3040(3) 0.7354(6) 0.3032(4) 0.0282(15) Uani 1 1 d . . . . .
H29 H 0.3027 0.6574 0.3181 0.034 Uiso 1 1 calc R U . . .
C30 C 0.2001(3) 0.7309(5) 0.3280(4) 0.0235(14) Uani 1 1 d . . . . .
C31 C 0.1984(3) 0.6419(5) 0.3840(4) 0.0309(16) Uani 1 1 d . . . . .
H31 H 0.2343 0.6155 0.4090 0.037 Uiso 1 1 calc R U . . .
C32 C 0.1438(3) 0.5917(6) 0.4035(5) 0.0402(19) Uani 1 1 d . . . . .
H32 H 0.1422 0.5315 0.4424 0.048 Uiso 1 1 calc R U . . .
C33 C 0.0921(3) 0.6301(6) 0.3660(5) 0.0385(18) Uani 1 1 d . . . . .
H33 H 0.0550 0.5943 0.3781 0.046 Uiso 1 1 calc R U . . .
C34 C 0.0934(3) 0.7199(6) 0.3108(5) 0.0353(17) Uani 1 1 d . . . . .
H34 H 0.0573 0.7467 0.2863 0.042 Uiso 1 1 calc R U . . .
C35 C 0.1477(3) 0.7702(5) 0.2919(4) 0.0212(14) Uani 1 1 d . . . . .
C36 C 0.1158(3) 0.8929(6) 0.1843(4) 0.0271(15) Uani 1 1 d . . . . .
H36 H 0.0842 0.8401 0.1755 0.033 Uiso 1 1 calc R U . . .
C37 C 0.1711(3) 1.0548(6) 0.1217(4) 0.0266(15) Uani 1 1 d . . . . .
C38 C 0.1179(2) 0.9929(6) 0.1311(3) 0.0240(13) Uani 1 1 d . . . . .
C39 C 0.0658(3) 1.0209(7) 0.0871(4) 0.0345(18) Uani 1 1 d . . . . .
H39 H 0.0310 0.9750 0.0918 0.041 Uiso 1 1 calc R U . . .
C40 C 0.0654(3) 1.1153(7) 0.0371(5) 0.0390(19) Uani 1 1 d . . . . .
H40 H 0.0295 1.1368 0.0097 0.047 Uiso 1 1 calc R U . . .
C41 C 0.1176(3) 1.1801(6) 0.0263(4) 0.0345(17) Uani 1 1 d . . . . .
H41 H 0.1173 1.2448 -0.0086 0.041 Uiso 1 1 calc R U . . .
C42 C 0.1694(3) 1.1488(6) 0.0669(4) 0.0301(16) Uani 1 1 d . . . . .
C43 C 0.4709(3) 1.0286(7) 0.1043(5) 0.047(2) Uani 1 1 d . . . . .
H43A H 0.5099 1.0325 0.1322 0.071 Uiso 1 1 calc R U . . .
H43B H 0.4639 1.0993 0.0740 0.071 Uiso 1 1 calc R U . . .
H43C H 0.4707 0.9645 0.0659 0.071 Uiso 1 1 calc R U . . .
C44 C 0.2255(4) 1.3038(7) 0.0101(5) 0.046(2) Uani 1 1 d . . . . .
H44A H 0.2154 1.2833 -0.0467 0.070 Uiso 1 1 calc R U . . .
H44B H 0.2660 1.3360 0.0118 0.070 Uiso 1 1 calc R U . . .
H44C H 0.1968 1.3600 0.0304 0.070 Uiso 1 1 calc R U . . .
C45 C 0.4112(4) 0.3478(8) 0.8740(5) 0.054(2) Uani 1 1 d . . . . .
H45A H 0.4225 0.4267 0.8628 0.081 Uiso 1 1 calc R U . . .
H45B H 0.3923 0.3149 0.8249 0.081 Uiso 1 1 calc R U . . .
H45C H 0.4471 0.3039 0.8882 0.081 Uiso 1 1 calc R U . . .
C46 C 0.3330(5) 1.0683(9) -0.0519(6) 0.080(3) Uani 1 1 d . . . . .
H46A H 0.3465 0.9905 -0.0411 0.120 Uiso 1 1 calc R U . . .
H46B H 0.3470 1.0923 -0.1063 0.120 Uiso 1 1 calc R U . . .
H46C H 0.2892 1.0712 -0.0503 0.120 Uiso 1 1 calc R U . . .
Dy1 Dy 0.23514(2) 1.00021(3) 0.29624(2) 0.01926(9) Uani 1 1 d . . . . .
N1 N 0.1623(2) 0.9605(5) 0.4134(3) 0.0267(13) Uani 1 1 d . . . . .
N2 N 0.1476(2) 1.1351(5) 0.3117(3) 0.0258(12) Uani 1 1 d . . . . .
N3 N 0.2540(2) 0.7918(4) 0.3072(3) 0.0254(13) Uani 1 1 d . . . . .
N4 N 0.1535(2) 0.8708(4) 0.2422(3) 0.0248(12) Uani 1 1 d . . . . .
Na1 Na 0.31864(12) 1.1151(2) 0.14364(17) 0.0340(6) Uani 1 1 d . . . . .
O1 O 0.28759(16) 0.9923(4) 0.4164(2) 0.0224(9) Uani 1 1 d . . . . .
O2 O 0.2713(2) 1.1797(4) 0.2768(3) 0.0317(11) Uani 1 1 d . . . . .
O3 O 0.3910(2) 0.9063(5) 0.4656(3) 0.0425(13) Uani 1 1 d . . . . .
O4 O 0.3466(2) 1.3088(4) 0.1962(3) 0.0402(13) Uani 1 1 d . . . . .
O5 O 0.32473(18) 0.9630(4) 0.2363(3) 0.0262(10) Uani 1 1 d . . . . .
O6 O 0.22095(19) 1.0298(4) 0.1591(3) 0.0316(12) Uani 1 1 d . . . . .
O7 O 0.42506(19) 1.0135(4) 0.1636(3) 0.0360(12) Uani 1 1 d . . . . .
O8 O 0.2232(2) 1.2036(4) 0.0613(3) 0.0355(12) Uani 1 1 d . . . . .
O9 O 0.3711(3) 0.3446(5) 0.9393(4) 0.0536(16) Uani 1 1 d . . . . .
H9A H 0.3436 0.3920 0.9312 0.080 Uiso 1 1 calc R U . . .
O10 O 0.3568(2) 1.1417(5) 0.0088(3) 0.0479(14) Uani 1 1 d . . . . .
H10A H 0.3552 1.2109 -0.0061 0.057 Uiso 1 1 d 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 O1 1.324(8) . ?
C1 C6 1.418(9) . ?
C1 C2 1.417(9) . ?
C2 O3 1.379(8) . ?
C2 C3 1.392(10) . ?
C3 C4 1.394(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.359(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.420(10) . ?
C5 H5 0.9500 . ?
C6 C7 1.441(9) . ?
C7 N1 1.271(8) . ?
C7 H7 0.9500 . ?
C8 C13 1.379(10) . ?
C8 C9 1.414(9) . ?
C8 N1 1.428(8) . ?
C9 C10 1.393(11) . ?
C9 H9 0.9500 . ?
C10 C11 1.383(11) . ?
C10 H10 0.9500 . ?
C11 C12 1.377(11) . ?
C11 H11 0.9500 . ?
C12 C13 1.403(10) . ?
C12 H12 0.9500 . ?
C13 N2 1.421(8) . ?
C14 N2 1.277(8) . ?
C14 C16 1.442(10) . ?
C14 H14 0.9500 . ?
C15 O2 1.285(8) . ?
C15 C16 1.423(10) . ?
C15 C20 1.434(9) . ?
C16 C17 1.410(10) . ?
C17 C18 1.358(10) . ?
C17 H17 0.9500 . ?
C18 C19 1.406(11) . ?
C18 H18 0.9500 . ?
C19 C20 1.362(10) . ?
C19 H19 0.9500 . ?
C20 O4 1.393(9) . ?
C21 O3 1.424(9) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 O4 1.438(8) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 O5 1.305(7) . ?
C23 C28 1.409(9) . ?
C23 C24 1.420(9) . ?
C24 O7 1.362(8) . ?
C24 C25 1.375(10) . ?
C25 C26 1.405(11) . ?
C25 H25 0.9500 . ?
C26 C27 1.374(10) . ?
C26 H26 0.9500 . ?
C27 C28 1.403(9) . ?
C27 H27 0.9500 . ?
C28 C29 1.435(9) . ?
C29 N3 1.301(8) . ?
C29 H29 0.9500 . ?
C30 C35 1.387(9) . ?
C30 C31 1.388(9) . ?
C30 N3 1.441(8) . ?
C31 C32 1.391(9) . ?
C31 H31 0.9500 . ?
C32 C33 1.381(11) . ?
C32 H32 0.9500 . ?
C33 C34 1.387(10) . ?
C33 H33 0.9500 . ?
C34 C35 1.386(9) . ?
C34 H34 0.9500 . ?
C35 N4 1.439(8) . ?
C36 N4 1.287(8) . ?
C36 C38 1.462(10) . ?
C36 H36 0.9500 . ?
C37 O6 1.300(8) . ?
C37 C38 1.404(9) . ?
C37 C42 1.420(9) . ?
C38 C39 1.403(8) . ?
C39 C40 1.376(10) . ?
C39 H39 0.9500 . ?
C40 C41 1.405(10) . ?
C40 H40 0.9500 . ?
C41 C42 1.379(10) . ?
C41 H41 0.9500 . ?
C42 O8 1.368(8) . ?
C43 O7 1.418(7) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 O8 1.444(9) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 O9 1.391(9) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 O10 1.413(11) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
Dy1 O5 2.269(4) . ?
Dy1 O6 2.276(4) . ?
Dy1 O1 2.275(4) . ?
Dy1 O2 2.285(4) . ?
Dy1 N3 2.496(5) . ?
Dy1 N4 2.531(5) . ?
Dy1 N2 2.531(5) . ?
Dy1 N1 2.550(5) . ?
Dy1 Na1 3.387(3) . ?
Na1 O5 2.343(5) . ?
Na1 O10 2.373(6) . ?
Na1 O6 2.414(5) . ?
Na1 O4 2.514(6) . ?
Na1 O2 2.528(5) . ?
Na1 O7 2.679(5) . ?
Na1 O8 2.720(6) . ?
O9 H9A 0.8400 . ?
O10 H10A 0.8500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 C6 123.3(6) . . ?
O1 C1 C2 120.1(6) . . ?
C6 C1 C2 116.7(6) . . ?
O3 C2 C3 124.1(7) . . ?
O3 C2 C1 114.0(6) . . ?
C3 C2 C1 121.9(7) . . ?
C4 C3 C2 119.9(7) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C5 C4 C3 120.3(7) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 120.9(7) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C1 C6 C5 120.4(6) . . ?
C1 C6 C7 122.1(6) . . ?
C5 C6 C7 117.5(6) . . ?
N1 C7 C6 126.1(6) . . ?
N1 C7 H7 116.9 . . ?
C6 C7 H7 116.9 . . ?
C13 C8 C9 119.7(6) . . ?
C13 C8 N1 116.8(5) . . ?
C9 C8 N1 123.2(7) . . ?
C10 C9 C8 119.5(7) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C11 C10 C9 120.4(7) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C12 C11 C10 120.1(7) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C13 120.5(8) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C8 C13 C12 119.8(6) . . ?
C8 C13 N2 116.5(6) . . ?
C12 C13 N2 123.5(6) . . ?
N2 C14 C16 129.0(6) . . ?
N2 C14 H14 115.5 . . ?
C16 C14 H14 115.5 . . ?
O2 C15 C16 124.5(6) . . ?
O2 C15 C20 120.4(6) . . ?
C16 C15 C20 115.1(6) . . ?
C17 C16 C15 120.4(7) . . ?
C17 C16 C14 117.6(7) . . ?
C15 C16 C14 122.0(6) . . ?
C18 C17 C16 122.2(7) . . ?
C18 C17 H17 118.9 . . ?
C16 C17 H17 118.9 . . ?
C17 C18 C19 118.7(7) . . ?
C17 C18 H18 120.6 . . ?
C19 C18 H18 120.6 . . ?
C20 C19 C18 120.4(7) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 O4 124.7(7) . . ?
C19 C20 C15 123.1(7) . . ?
O4 C20 C15 112.2(6) . . ?
O3 C21 H21A 109.5 . . ?
O3 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O3 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O5 C23 C28 124.5(6) . . ?
O5 C23 C24 118.2(6) . . ?
C28 C23 C24 117.1(6) . . ?
O7 C24 C25 123.6(6) . . ?
O7 C24 C23 114.5(6) . . ?
C25 C24 C23 121.9(7) . . ?
C24 C25 C26 119.8(7) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C27 C26 C25 119.4(7) . . ?
C27 C26 H26 120.3 . . ?
C25 C26 H26 120.3 . . ?
C26 C27 C28 121.3(7) . . ?
C26 C27 H27 119.3 . . ?
C28 C27 H27 119.3 . . ?
C23 C28 C27 120.1(6) . . ?
C23 C28 C29 122.7(6) . . ?
C27 C28 C29 116.8(6) . . ?
N3 C29 C28 126.1(6) . . ?
N3 C29 H29 117.0 . . ?
C28 C29 H29 117.0 . . ?
C35 C30 C31 120.2(6) . . ?
C35 C30 N3 116.0(6) . . ?
C31 C30 N3 123.7(6) . . ?
C30 C31 C32 119.8(7) . . ?
C30 C31 H31 120.1 . . ?
C32 C31 H31 120.1 . . ?
C33 C32 C31 119.5(7) . . ?
C33 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
C34 C33 C32 121.1(7) . . ?
C34 C33 H33 119.5 . . ?
C32 C33 H33 119.5 . . ?
C33 C34 C35 119.3(7) . . ?
C33 C34 H34 120.4 . . ?
C35 C34 H34 120.4 . . ?
C30 C35 C34 120.1(6) . . ?
C30 C35 N4 115.8(5) . . ?
C34 C35 N4 123.7(6) . . ?
N4 C36 C38 124.9(6) . . ?
N4 C36 H36 117.5 . . ?
C38 C36 H36 117.5 . . ?
O6 C37 C38 123.7(6) . . ?
O6 C37 C42 119.4(6) . . ?
C38 C37 C42 116.8(6) . . ?
C37 C38 C39 121.6(6) . . ?
C37 C38 C36 120.8(6) . . ?
C39 C38 C36 117.6(6) . . ?
C40 C39 C38 119.7(7) . . ?
C40 C39 H39 120.2 . . ?
C38 C39 H39 120.2 . . ?
C39 C40 C41 120.5(7) . . ?
C39 C40 H40 119.8 . . ?
C41 C40 H40 119.8 . . ?
C42 C41 C40 119.4(7) . . ?
C42 C41 H41 120.3 . . ?
C40 C41 H41 120.3 . . ?
O8 C42 C41 125.3(7) . . ?
O8 C42 C37 112.8(6) . . ?
C41 C42 C37 122.0(6) . . ?
O7 C43 H43A 109.5 . . ?
O7 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
O7 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O8 C44 H44A 109.5 . . ?
O8 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O8 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O9 C45 H45A 109.5 . . ?
O9 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O9 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O10 C46 H46A 109.5 . . ?
O10 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
O10 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
O5 Dy1 O6 74.34(15) . . ?
O5 Dy1 O1 84.74(15) . . ?
O6 Dy1 O1 156.31(14) . . ?
O5 Dy1 O2 78.87(16) . . ?
O6 Dy1 O2 76.79(17) . . ?
O1 Dy1 O2 88.56(17) . . ?
O5 Dy1 N3 72.07(16) . . ?
O6 Dy1 N3 104.09(17) . . ?
O1 Dy1 N3 79.19(17) . . ?
O2 Dy1 N3 149.28(17) . . ?
O5 Dy1 N4 111.69(16) . . ?
O6 Dy1 N4 69.79(16) . . ?
O1 Dy1 N4 129.91(17) . . ?
O2 Dy1 N4 139.77(17) . . ?
N3 Dy1 N4 63.52(17) . . ?
O5 Dy1 N2 147.68(16) . . ?
O6 Dy1 N2 84.01(16) . . ?
O1 Dy1 N2 109.62(16) . . ?
O2 Dy1 N2 72.92(17) . . ?
N3 Dy1 N2 137.74(17) . . ?
N4 Dy1 N2 81.77(17) . . ?
O5 Dy1 N1 148.13(16) . . ?
O6 Dy1 N1 132.19(16) . . ?
O1 Dy1 N1 71.31(16) . . ?
O2 Dy1 N1 119.94(17) . . ?
N3 Dy1 N1 82.77(17) . . ?
N4 Dy1 N1 71.86(17) . . ?
N2 Dy1 N1 63.08(17) . . ?
O5 Dy1 Na1 43.59(12) . . ?
O6 Dy1 Na1 45.40(12) . . ?
O1 Dy1 Na1 111.17(11) . . ?
O2 Dy1 Na1 48.26(13) . . ?
N3 Dy1 Na1 110.59(13) . . ?
N4 Dy1 Na1 112.56(13) . . ?
N2 Dy1 Na1 104.39(13) . . ?
N1 Dy1 Na1 166.61(13) . . ?
C7 N1 C8 120.4(5) . . ?
C7 N1 Dy1 126.1(4) . . ?
C8 N1 Dy1 113.0(4) . . ?
C14 N2 C13 117.8(6) . . ?
C14 N2 Dy1 128.6(5) . . ?
C13 N2 Dy1 113.6(4) . . ?
C29 N3 C30 118.3(5) . . ?
C29 N3 Dy1 130.0(4) . . ?
C30 N3 Dy1 111.4(4) . . ?
C36 N4 C35 121.1(6) . . ?
C36 N4 Dy1 126.9(4) . . ?
C35 N4 Dy1 111.5(4) . . ?
O5 Na1 O10 132.3(2) . . ?
O5 Na1 O6 70.50(16) . . ?
O10 Na1 O6 118.5(2) . . ?
O5 Na1 O4 117.47(19) . . ?
O10 Na1 O4 96.0(2) . . ?
O6 Na1 O4 124.45(19) . . ?
O5 Na1 O2 72.77(16) . . ?
O10 Na1 O2 154.5(2) . . ?
O6 Na1 O2 69.89(16) . . ?
O4 Na1 O2 62.63(16) . . ?
O5 Na1 O7 62.04(15) . . ?
O10 Na1 O7 81.40(18) . . ?
O6 Na1 O7 127.07(19) . . ?
O4 Na1 O7 98.30(19) . . ?
O2 Na1 O7 113.79(18) . . ?
O5 Na1 O8 130.78(18) . . ?
O10 Na1 O8 77.13(18) . . ?
O6 Na1 O8 60.30(16) . . ?
O4 Na1 O8 90.74(18) . . ?
O2 Na1 O8 88.71(17) . . ?
O7 Na1 O8 157.47(18) . . ?
O5 Na1 Dy1 41.91(11) . . ?
O10 Na1 Dy1 158.08(18) . . ?
O6 Na1 Dy1 42.16(11) . . ?
O4 Na1 Dy1 104.51(14) . . ?
O2 Na1 Dy1 42.41(11) . . ?
O7 Na1 Dy1 102.87(13) . . ?
O8 Na1 Dy1 94.68(12) . . ?
C1 O1 Dy1 126.3(4) . . ?
C15 O2 Dy1 137.7(4) . . ?
C15 O2 Na1 98.4(4) . . ?
Dy1 O2 Na1 89.33(17) . . ?
C2 O3 C21 116.9(6) . . ?
C20 O4 C22 116.6(6) . . ?
C20 O4 Na1 100.9(4) . . ?
C22 O4 Na1 123.4(5) . . ?
C23 O5 Dy1 138.0(4) . . ?
C23 O5 Na1 127.5(4) . . ?
Dy1 O5 Na1 94.50(17) . . ?
C37 O6 Dy1 127.6(4) . . ?
C37 O6 Na1 129.0(4) . . ?
Dy1 O6 Na1 92.43(17) . . ?
C24 O7 C43 117.7(6) . . ?
C24 O7 Na1 115.1(4) . . ?
C43 O7 Na1 120.2(4) . . ?
C42 O8 C44 117.2(6) . . ?
C42 O8 Na1 118.2(4) . . ?
C44 O8 Na1 124.6(4) . . ?
C45 O9 H9A 109.5 . . ?
C46 O10 Na1 115.4(6) . . ?
C46 O10 H10A 111.9 . . ?
Na1 O10 H10A 111.9 . . ?

_refine_diff_density_max         3.659
_refine_diff_density_min         -1.183
_refine_diff_density_rms         0.149


####################################################################### 
# 
# 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_complex_2
_database_code_depnum_ccdc_archive 'CCDC 2053374'
loop_
_audit_author_name
_audit_author_address
'Hui-Sheng Wang'
;Wuhan Institute of Technology
China
;
_audit_update_record             
;
2020-12-31 deposited with the CCDC.	2021-03-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H44 Dy N5 Na2 O13'
_chemical_formula_weight         1083.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Na Na 0.0362 0.0249 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.9971(4)
_cell_length_b                   29.7015(10)
_cell_length_c                   14.6760(4)
_cell_angle_alpha                90
_cell_angle_beta                 111.4410(10)
_cell_angle_gamma                90
_cell_volume                     4461.9(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    6417
_cell_measurement_theta_min      2.74
_cell_measurement_theta_max      25.33

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_F_000             2188
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.14
_exptl_absorpt_coefficient_mu    1.767
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6115
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25671
_diffrn_reflns_av_unetI/netI     0.0529
_diffrn_reflns_av_R_equivalents  0.0570
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.872
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             7813
_reflns_number_gt                6085
_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    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0297P)²+3.6837P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7813
_refine_ls_number_parameters     612
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0349
_refine_ls_wR_factor_ref         0.0765
_refine_ls_wR_factor_gt          0.0712
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.025
_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 0.2897(4) 0.11000(14) 0.4963(3) 0.0221(10) Uani 1 1 d . . . . .
C2 C 0.4042(4) 0.10791(15) 0.5829(3) 0.0264(10) Uani 1 1 d . . . . .
C3 C 0.4108(5) 0.08179(16) 0.6618(3) 0.0338(12) Uani 1 1 d . . . . .
H3 H 0.4901 0.0800 0.7170 0.041 Uiso 1 1 calc R U . . .
C4 C 0.3017(5) 0.05803(17) 0.6610(4) 0.0384(13) Uani 1 1 d . . . . .
H4 H 0.3057 0.0406 0.7163 0.046 Uiso 1 1 calc R U . . .
C5 C 0.1888(5) 0.05964(15) 0.5807(3) 0.0339(12) Uani 1 1 d . . . . .
H5 H 0.1143 0.0437 0.5814 0.041 Uiso 1 1 calc R U . . .
C6 C 0.1803(5) 0.08470(15) 0.4962(3) 0.0268(10) Uani 1 1 d . . . . .
C7 C 0.0567(5) 0.08647(15) 0.4158(3) 0.0271(10) Uani 1 1 d . . . . .
H7 H -0.0162 0.0737 0.4265 0.033 Uiso 1 1 calc R U . . .
C8 C -0.0951(4) 0.10572(16) 0.2612(3) 0.0262(10) Uani 1 1 d . . . . .
C9 C -0.1906(5) 0.07352(19) 0.2519(4) 0.0394(13) Uani 1 1 d . . . . .
H9 H -0.1714 0.0479 0.2936 0.047 Uiso 1 1 calc R U . . .
C10 C -0.3136(5) 0.0791(2) 0.1813(4) 0.0513(16) Uani 1 1 d . . . . .
H10 H -0.3798 0.0575 0.1757 0.062 Uiso 1 1 calc R U . . .
C11 C -0.3416(5) 0.1153(2) 0.1190(4) 0.0554(17) Uani 1 1 d . . . . .
H11 H -0.4266 0.1183 0.0704 0.066 Uiso 1 1 calc R U . . .
C12 C -0.2473(5) 0.14776(18) 0.1261(4) 0.0410(13) Uani 1 1 d . . . . .
H12 H -0.2669 0.1726 0.0823 0.049 Uiso 1 1 calc R U . . .
C13 C -0.1230(4) 0.14319(16) 0.1988(3) 0.0280(11) Uani 1 1 d . . . . .
C14 C -0.0443(4) 0.21611(16) 0.1960(3) 0.0274(11) Uani 1 1 d . . . . .
H14 H -0.1338 0.2245 0.1745 0.033 Uiso 1 1 calc R U . . .
C15 C 0.1854(4) 0.24585(14) 0.2519(3) 0.0214(9) Uani 1 1 d . . . . .
C16 C 0.0484(4) 0.25229(15) 0.2071(3) 0.0236(10) Uani 1 1 d . . . . .
C17 C -0.0011(5) 0.29557(17) 0.1753(3) 0.0333(12) Uani 1 1 d . . . . .
H17 H -0.0929 0.2999 0.1469 0.040 Uiso 1 1 calc R U . . .
C18 C 0.0792(5) 0.33125(16) 0.1843(4) 0.0368(12) Uani 1 1 d . . . . .
H18 H 0.0434 0.3602 0.1626 0.044 Uiso 1 1 calc R U . . .
C19 C 0.2141(5) 0.32562(16) 0.2252(4) 0.0384(12) Uani 1 1 d . . . . .
H19 H 0.2704 0.3505 0.2296 0.046 Uiso 1 1 calc R U . . .
C20 C 0.2659(5) 0.28391(15) 0.2592(3) 0.0279(10) Uani 1 1 d . . . . .
C21 C 0.6309(5) 0.12871(18) 0.6494(3) 0.0392(12) Uani 1 1 d . . . . .
H21A H 0.6303 0.1367 0.7140 0.059 Uiso 1 1 calc R U . . .
H21B H 0.6934 0.1479 0.6341 0.059 Uiso 1 1 calc R U . . .
H21C H 0.6564 0.0971 0.6496 0.059 Uiso 1 1 calc R U . . .
C22 C 0.4880(6) 0.30940(19) 0.3113(6) 0.074(2) Uani 1 1 d . . . . .
H22A H 0.4748 0.3223 0.2469 0.111 Uiso 1 1 calc R U . . .
H22B H 0.5774 0.2979 0.3408 0.111 Uiso 1 1 calc R U . . .
H22C H 0.4736 0.3327 0.3536 0.111 Uiso 1 1 calc R U . . .
C23 C 0.5120(4) 0.11344(14) 0.3424(3) 0.0202(9) Uani 1 1 d . . . . .
C24 C 0.6325(4) 0.13612(15) 0.3872(3) 0.0211(9) Uani 1 1 d . . . . .
C25 C 0.7428(4) 0.11486(16) 0.4477(3) 0.0273(10) Uani 1 1 d . . . . .
H25 H 0.8220 0.1312 0.4763 0.033 Uiso 1 1 calc R U . . .
C26 C 0.7382(4) 0.06847(16) 0.4675(3) 0.0302(11) Uani 1 1 d . . . . .
H26 H 0.8144 0.0533 0.5090 0.036 Uiso 1 1 calc R U . . .
C27 C 0.6241(4) 0.04569(16) 0.4268(3) 0.0306(11) Uani 1 1 d . . . . .
H27 H 0.6218 0.0144 0.4400 0.037 Uiso 1 1 calc R U . . .
C28 C 0.5086(4) 0.06717(15) 0.3653(3) 0.0230(10) Uani 1 1 d . . . . .
C29 C 0.3932(4) 0.03985(15) 0.3265(3) 0.0262(10) Uani 1 1 d . . . . .
H29 H 0.4056 0.0082 0.3330 0.031 Uiso 1 1 calc R U . . .
C30 C 0.1713(4) 0.02150(14) 0.2494(3) 0.0257(10) Uani 1 1 d . . . . .
C31 C 0.1734(5) -0.01971(16) 0.2946(4) 0.0361(12) Uani 1 1 d . . . . .
H31 H 0.2471 -0.0279 0.3504 0.043 Uiso 1 1 calc R U . . .
C32 C 0.0690(6) -0.04865(17) 0.2586(4) 0.0447(14) Uani 1 1 d . . . . .
H32 H 0.0718 -0.0771 0.2891 0.054 Uiso 1 1 calc R U . . .
C33 C -0.0399(5) -0.03677(17) 0.1786(4) 0.0448(14) Uani 1 1 d . . . . .
H33 H -0.1114 -0.0570 0.1543 0.054 Uiso 1 1 calc R U . . .
C34 C -0.0450(5) 0.00440(16) 0.1340(4) 0.0364(12) Uani 1 1 d . . . . .
H34 H -0.1203 0.0127 0.0795 0.044 Uiso 1 1 calc R U . . .
C35 C 0.0606(4) 0.03382(14) 0.1690(3) 0.0231(10) Uani 1 1 d . . . . .
C36 C -0.0046(4) 0.08675(16) 0.0411(3) 0.0279(11) Uani 1 1 d . . . . .
H36 H -0.0548 0.0631 0.0013 0.033 Uiso 1 1 calc R U . . .
C37 C 0.0902(4) 0.16293(15) 0.0359(3) 0.0212(9) Uani 1 1 d . . . . .
C38 C -0.0090(4) 0.13056(16) -0.0038(3) 0.0252(10) Uani 1 1 d . . . . .
C39 C -0.1161(4) 0.14032(17) -0.0905(3) 0.0309(11) Uani 1 1 d . . . . .
H39 H -0.1810 0.1180 -0.1188 0.037 Uiso 1 1 calc R U . . .
C40 C -0.1270(4) 0.18142(17) -0.1337(3) 0.0319(11) Uani 1 1 d . . . . .
H40 H -0.2000 0.1878 -0.1915 0.038 Uiso 1 1 calc R U . . .
C41 C -0.0312(4) 0.21426(16) -0.0934(3) 0.0266(10) Uani 1 1 d . . . . .
H41 H -0.0406 0.2431 -0.1233 0.032 Uiso 1 1 calc R U . . .
C42 C 0.0760(4) 0.20530(15) -0.0114(3) 0.0227(10) Uani 1 1 d . . . . .
C43 C 0.7451(4) 0.20529(16) 0.3938(3) 0.0318(11) Uani 1 1 d . . . . .
H43A H 0.7864 0.2053 0.4654 0.048 Uiso 1 1 calc R U . . .
H43B H 0.7288 0.2364 0.3701 0.048 Uiso 1 1 calc R U . . .
H43C H 0.8032 0.1906 0.3658 0.048 Uiso 1 1 calc R U . . .
C44 C 0.1631(5) 0.27889(15) -0.0055(3) 0.0319(11) Uani 1 1 d . . . . .
H44A H 0.1570 0.2778 -0.0738 0.048 Uiso 1 1 calc R U . . .
H44B H 0.2396 0.2967 0.0331 0.048 Uiso 1 1 calc R U . . .
H44C H 0.0840 0.2928 -0.0023 0.048 Uiso 1 1 calc R U . . .
C45 C 0.3084(6) 0.1208(3) 0.9471(5) 0.071(2) Uani 1 1 d . . . . .
H45A H 0.3526 0.1496 0.9692 0.107 Uiso 1 1 calc R U . . .
H45B H 0.2157 0.1261 0.9089 0.107 Uiso 1 1 calc R U . . .
H45C H 0.3485 0.1053 0.9062 0.107 Uiso 1 1 calc R U . . .
C46 C 0.3823(9) 0.9803(3) 0.0950(7) 0.114(3) Uani 1 1 d . U . . .
H46A H 0.4641 0.9839 0.1514 0.170 Uiso 1 1 calc R U . . .
H46B H 0.3737 0.9489 0.0728 0.170 Uiso 1 1 calc R U . . .
H46C H 0.3084 0.9882 0.1140 0.170 Uiso 1 1 calc R U . . .
Dy1 Dy 0.19446(2) 0.13300(2) 0.26030(2) 0.01723(6) Uani 1 1 d . . . . .
N1 N 0.0354(3) 0.10366(12) 0.3310(3) 0.0244(8) Uani 1 1 d . . . . .
N2 N -0.0189(3) 0.17399(12) 0.2120(2) 0.0241(8) Uani 1 1 d . . . . .
N3 N 0.2744(3) 0.05358(11) 0.2836(2) 0.0217(8) Uani 1 1 d . . . . .
N4 N 0.0631(3) 0.07790(12) 0.1314(2) 0.0214(8) Uani 1 1 d . . . . .
N5 N 0.5672(4) 0.24913(13) 0.6014(3) 0.0308(9) Uani 1 1 d . . . . .
Na1 Na 0.43649(16) 0.19832(6) 0.42846(12) 0.0288(4) Uani 1 1 d . . . . .
Na2 Na 0.38949(18) 0.20264(6) 0.18016(13) 0.0303(4) Uani 1 1 d . . . . .
O1 O 0.2898(3) 0.13587(10) 0.42519(19) 0.0224(6) Uani 1 1 d . . . . .
O2 O 0.2420(3) 0.20744(9) 0.2866(2) 0.0230(7) Uani 1 1 d . . . . .
O3 O 0.5041(3) 0.13512(11) 0.5777(2) 0.0326(8) Uani 1 1 d . . . . .
O4 O 0.3975(3) 0.27329(11) 0.3003(3) 0.0383(9) Uani 1 1 d . . . . .
O5 O 0.4116(3) 0.13588(10) 0.28374(19) 0.0207(6) Uani 1 1 d . . . . .
O6 O 0.1974(3) 0.15480(10) 0.11238(19) 0.0252(7) Uani 1 1 d . . . . .
O7 O 0.6246(3) 0.18146(10) 0.3651(2) 0.0252(7) Uani 1 1 d . . . . .
O8 O 0.1758(3) 0.23424(10) 0.0330(2) 0.0269(7) Uani 1 1 d . . . . .
O9 O 0.4481(3) 0.25445(14) 0.5569(3) 0.0497(10) Uani 1 1 d . . . . .
O10 O 0.6332(3) 0.23062(12) 0.5589(3) 0.0405(9) Uani 1 1 d . . . . .
O11 O 0.6171(4) 0.26228(15) 0.6864(3) 0.0593(12) Uani 1 1 d . . . . .
O12 O 0.3201(5) 0.09457(19) 1.0269(4) 0.0863(16) Uani 1 1 d . . . . .
H12A H 0.2832 0.1074 1.0608 0.129 Uiso 1 1 calc R U . . .
O13 O 0.3835(12) 1.0090(4) 0.0176(8) 0.214(4) Uani 1 1 d . U . . .
H13 H 0.3533 1.0344 0.0236 0.321 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 O1 1.296(5) . ?
C1 C6 1.418(6) . ?
C1 C2 1.427(6) . ?
C2 C3 1.373(6) . ?
C2 O3 1.388(6) . ?
C3 C4 1.388(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.365(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.420(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.438(6) . ?
C7 N1 1.285(6) . ?
C7 H7 0.9500 . ?
C8 C9 1.390(6) . ?
C8 C13 1.403(7) . ?
C8 N1 1.427(5) . ?
C9 C10 1.381(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.372(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.392(8) . ?
C11 H11 0.9500 . ?
C12 C13 1.399(6) . ?
C12 H12 0.9500 . ?
C13 N2 1.422(6) . ?
C14 N2 1.284(6) . ?
C14 C16 1.449(6) . ?
C14 H14 0.9500 . ?
C15 O2 1.310(5) . ?
C15 C20 1.415(6) . ?
C15 C16 1.419(6) . ?
C15 Na2 3.085(5) . ?
C16 C17 1.407(6) . ?
C17 C18 1.355(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.392(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.379(6) . ?
C19 H19 0.9500 . ?
C20 O4 1.386(6) . ?
C21 O3 1.420(5) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 O4 1.431(6) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 O5 1.308(5) . ?
C23 C24 1.416(6) . ?
C23 C28 1.419(6) . ?
C23 Na1 3.067(5) . ?
C24 C25 1.368(6) . ?
C24 O7 1.380(5) . ?
C24 Na1 3.063(5) . ?
C25 C26 1.413(7) . ?
C25 H25 0.9500 . ?
C26 C27 1.357(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.413(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.437(6) . ?
C29 N3 1.291(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.388(6) . ?
C30 C35 1.399(6) . ?
C30 N3 1.425(5) . ?
C31 C32 1.376(7) . ?
C31 H31 0.9500 . ?
C32 C33 1.382(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.378(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.393(6) . ?
C34 H34 0.9500 . ?
C35 N4 1.425(5) . ?
C36 N4 1.288(5) . ?
C36 C38 1.451(6) . ?
C36 H36 0.9500 . ?
C37 O6 1.320(5) . ?
C37 C38 1.410(6) . ?
C37 C42 1.417(6) . ?
C38 C39 1.412(6) . ?
C39 C40 1.360(7) . ?
C39 H39 0.9500 . ?
C40 C41 1.398(6) . ?
C40 H40 0.9500 . ?
C41 C42 1.368(6) . ?
C41 H41 0.9500 . ?
C42 O8 1.359(5) . ?
C43 O7 1.424(5) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 O8 1.429(5) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 O12 1.372(8) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 O13 1.426(11) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
Dy1 O1 2.260(3) . ?
Dy1 O2 2.272(3) . ?
Dy1 O6 2.277(3) . ?
Dy1 O5 2.286(3) . ?
Dy1 N1 2.495(4) . ?
Dy1 N3 2.497(3) . ?
Dy1 N2 2.505(4) . ?
Dy1 N4 2.519(3) . ?
N5 O11 1.229(5) . ?
N5 O9 1.241(5) . ?
N5 O10 1.246(5) . ?
N5 Na1 2.850(4) . ?
N5 Na2 2.976(4) 4_566 ?
Na1 O2 2.393(3) . ?
Na1 O1 2.447(3) . ?
Na1 O9 2.484(4) . ?
Na1 O10 2.497(4) . ?
Na1 O7 2.607(4) . ?
Na1 O5 2.757(3) . ?
Na1 O3 2.772(4) . ?
Na1 O4 2.844(4) . ?
Na2 O6 2.436(3) . ?
Na2 O5 2.456(3) . ?
Na2 O9 2.483(4) 4_565 ?
Na2 O2 2.635(4) . ?
Na2 O11 2.681(5) 4_565 ?
Na2 O8 2.712(3) . ?
Na2 O4 2.721(4) . ?
Na2 N5 2.976(4) 4_565 ?
O9 Na2 2.483(4) 4_566 ?
O11 Na2 2.682(5) 4_566 ?
O12 H12A 0.8400 . ?
O13 H13 0.8400 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 C6 124.3(4) . . ?
O1 C1 C2 118.8(4) . . ?
C6 C1 C2 116.8(4) . . ?
C3 C2 O3 125.2(4) . . ?
C3 C2 C1 122.2(4) . . ?
O3 C2 C1 112.6(4) . . ?
C2 C3 C4 120.1(5) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 120.0(5) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C6 121.4(5) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
C1 C6 C5 119.4(4) . . ?
C1 C6 C7 121.9(4) . . ?
C5 C6 C7 118.4(4) . . ?
N1 C7 C6 126.3(4) . . ?
N1 C7 H7 116.8 . . ?
C6 C7 H7 116.8 . . ?
C9 C8 C13 120.3(4) . . ?
C9 C8 N1 124.5(5) . . ?
C13 C8 N1 115.2(4) . . ?
C10 C9 C8 119.3(5) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C11 C10 C9 120.9(5) . . ?
C11 C10 H10 119.6 . . ?
C9 C10 H10 119.6 . . ?
C10 C11 C12 120.9(5) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C11 C12 C13 118.9(5) . . ?
C11 C12 H12 120.6 . . ?
C13 C12 H12 120.6 . . ?
C12 C13 C8 119.7(4) . . ?
C12 C13 N2 123.7(4) . . ?
C8 C13 N2 116.6(4) . . ?
N2 C14 C16 127.2(4) . . ?
N2 C14 H14 116.4 . . ?
C16 C14 H14 116.4 . . ?
O2 C15 C20 118.1(4) . . ?
O2 C15 C16 124.8(4) . . ?
C20 C15 C16 117.1(4) . . ?
O2 C15 Na2 57.9(2) . . ?
C20 C15 Na2 81.1(3) . . ?
C16 C15 Na2 132.8(3) . . ?
C17 C16 C15 119.6(4) . . ?
C17 C16 C14 118.0(4) . . ?
C15 C16 C14 122.4(4) . . ?
C18 C17 C16 121.5(5) . . ?
C18 C17 H17 119.2 . . ?
C16 C17 H17 119.2 . . ?
C17 C18 C19 120.1(4) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C20 C19 C18 119.9(5) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C19 C20 O4 126.1(4) . . ?
C19 C20 C15 121.8(4) . . ?
O4 C20 C15 112.1(4) . . ?
O3 C21 H21A 109.5 . . ?
O3 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O3 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O5 C23 C24 119.0(4) . . ?
O5 C23 C28 124.1(4) . . ?
C24 C23 C28 116.9(4) . . ?
O5 C23 Na1 64.0(2) . . ?
C24 C23 Na1 76.5(2) . . ?
C28 C23 Na1 131.6(3) . . ?
C25 C24 O7 124.6(4) . . ?
C25 C24 C23 122.6(4) . . ?
O7 C24 C23 112.8(3) . . ?
C25 C24 Na1 132.1(3) . . ?
O7 C24 Na1 57.9(2) . . ?
C23 C24 Na1 76.8(2) . . ?
C24 C25 C26 119.6(4) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
C27 C26 C25 119.5(4) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
C26 C27 C28 121.8(4) . . ?
C26 C27 H27 119.1 . . ?
C28 C27 H27 119.1 . . ?
C27 C28 C23 119.5(4) . . ?
C27 C28 C29 117.1(4) . . ?
C23 C28 C29 123.3(4) . . ?
N3 C29 C28 127.2(4) . . ?
N3 C29 H29 116.4 . . ?
C28 C29 H29 116.4 . . ?
C31 C30 C35 119.4(4) . . ?
C31 C30 N3 123.3(4) . . ?
C35 C30 N3 117.2(4) . . ?
C32 C31 C30 120.1(5) . . ?
C32 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
C31 C32 C33 120.6(5) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C34 C33 C32 120.1(5) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C33 C34 C35 119.9(5) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
C34 C35 C30 119.9(4) . . ?
C34 C35 N4 124.4(4) . . ?
C30 C35 N4 115.7(4) . . ?
N4 C36 C38 124.1(4) . . ?
N4 C36 H36 117.9 . . ?
C38 C36 H36 117.9 . . ?
O6 C37 C38 122.8(4) . . ?
O6 C37 C42 118.9(4) . . ?
C38 C37 C42 118.3(4) . . ?
C37 C38 C39 119.8(4) . . ?
C37 C38 C36 122.1(4) . . ?
C39 C38 C36 118.1(4) . . ?
C40 C39 C38 120.4(4) . . ?
C40 C39 H39 119.8 . . ?
C38 C39 H39 119.8 . . ?
C39 C40 C41 120.3(4) . . ?
C39 C40 H40 119.8 . . ?
C41 C40 H40 119.8 . . ?
C42 C41 C40 120.6(4) . . ?
C42 C41 H41 119.7 . . ?
C40 C41 H41 119.7 . . ?
O8 C42 C41 125.7(4) . . ?
O8 C42 C37 113.7(3) . . ?
C41 C42 C37 120.6(4) . . ?
O7 C43 H43A 109.5 . . ?
O7 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
O7 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O8 C44 H44A 109.5 . . ?
O8 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O8 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O12 C45 H45A 109.5 . . ?
O12 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O12 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O13 C46 H46A 109.5 . . ?
O13 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
O13 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
O1 Dy1 O2 78.08(10) . . ?
O1 Dy1 O6 147.92(10) . . ?
O2 Dy1 O6 78.62(11) . . ?
O1 Dy1 O5 77.71(10) . . ?
O2 Dy1 O5 77.02(10) . . ?
O6 Dy1 O5 75.79(10) . . ?
O1 Dy1 N1 71.90(11) . . ?
O2 Dy1 N1 114.95(11) . . ?
O6 Dy1 N1 138.81(11) . . ?
O5 Dy1 N1 143.43(11) . . ?
O1 Dy1 N3 83.49(11) . . ?
O2 Dy1 N3 148.03(11) . . ?
O6 Dy1 N3 105.80(11) . . ?
O5 Dy1 N3 73.66(11) . . ?
N1 Dy1 N3 83.02(12) . . ?
O1 Dy1 N2 107.74(11) . . ?
O2 Dy1 N2 73.05(11) . . ?
O6 Dy1 N2 86.01(11) . . ?
O5 Dy1 N2 147.47(11) . . ?
N1 Dy1 N2 63.94(12) . . ?
N3 Dy1 N2 138.12(12) . . ?
O1 Dy1 N4 137.99(11) . . ?
O2 Dy1 N4 142.45(10) . . ?
O6 Dy1 N4 70.91(11) . . ?
O5 Dy1 N4 114.71(11) . . ?
N1 Dy1 N4 77.80(11) . . ?
N3 Dy1 N4 64.27(11) . . ?
N2 Dy1 N4 83.26(11) . . ?
C7 N1 C8 119.4(4) . . ?
C7 N1 Dy1 129.3(3) . . ?
C8 N1 Dy1 111.1(3) . . ?
C14 N2 C13 119.5(4) . . ?
C14 N2 Dy1 130.0(3) . . ?
C13 N2 Dy1 110.5(3) . . ?
C29 N3 C30 119.6(4) . . ?
C29 N3 Dy1 127.5(3) . . ?
C30 N3 Dy1 112.8(3) . . ?
C36 N4 C35 120.1(4) . . ?
C36 N4 Dy1 126.7(3) . . ?
C35 N4 Dy1 113.1(2) . . ?
O11 N5 O9 119.2(4) . . ?
O11 N5 O10 121.6(4) . . ?
O9 N5 O10 119.2(4) . . ?
O11 N5 Na1 164.9(3) . . ?
O9 N5 Na1 60.4(2) . . ?
O10 N5 Na1 61.1(2) . . ?
O11 N5 Na2 64.3(3) . 4_566 ?
O9 N5 Na2 55.1(2) . 4_566 ?
O10 N5 Na2 173.3(3) . 4_566 ?
Na1 N5 Na2 114.33(14) . 4_566 ?
O2 Na1 O1 72.27(10) . . ?
O2 Na1 O9 111.45(13) . . ?
O1 Na1 O9 111.98(13) . . ?
O2 Na1 O10 150.64(14) . . ?
O1 Na1 O10 133.35(13) . . ?
O9 Na1 O10 51.02(11) . . ?
O2 Na1 O7 106.56(11) . . ?
O1 Na1 O7 116.79(12) . . ?
O9 Na1 O7 124.87(13) . . ?
O10 Na1 O7 76.65(11) . . ?
O2 Na1 O5 66.45(10) . . ?
O1 Na1 O5 66.16(10) . . ?
O9 Na1 O5 177.41(12) . . ?
O10 Na1 O5 131.55(12) . . ?
O7 Na1 O5 57.63(9) . . ?
O2 Na1 O3 131.32(12) . . ?
O1 Na1 O3 59.11(10) . . ?
O9 Na1 O3 86.02(13) . . ?
O10 Na1 O3 75.39(11) . . ?
O7 Na1 O3 97.65(11) . . ?
O5 Na1 O3 94.33(10) . . ?
O2 Na1 O4 57.69(10) . . ?
O1 Na1 O4 129.90(11) . . ?
O9 Na1 O4 85.97(13) . . ?
O10 Na1 O4 94.87(12) . . ?
O7 Na1 O4 82.07(11) . . ?
O5 Na1 O4 93.94(11) . . ?
O3 Na1 O4 169.98(12) . . ?
O2 Na1 N5 135.59(13) . . ?
O1 Na1 N5 122.21(12) . . ?
O9 Na1 N5 25.77(11) . . ?
O10 Na1 N5 25.88(11) . . ?
O7 Na1 N5 102.22(12) . . ?
O5 Na1 N5 156.69(12) . . ?
O3 Na1 N5 75.68(11) . . ?
O4 Na1 N5 94.56(12) . . ?
O2 Na1 C24 111.47(12) . . ?
O1 Na1 C24 92.61(12) . . ?
O9 Na1 C24 135.25(13) . . ?
O10 Na1 C24 84.73(12) . . ?
O7 Na1 C24 26.65(10) . . ?
O5 Na1 C24 47.22(10) . . ?
O3 Na1 C24 75.11(11) . . ?
O4 Na1 C24 106.74(12) . . ?
N5 Na1 C24 109.48(12) . . ?
O2 Na1 C23 91.45(11) . . ?
O1 Na1 C23 69.18(11) . . ?
O9 Na1 C23 156.55(13) . . ?
O10 Na1 C23 110.02(13) . . ?
O7 Na1 C23 47.62(11) . . ?
O5 Na1 C23 25.24(9) . . ?
O3 Na1 C23 74.57(11) . . ?
O4 Na1 C23 111.67(12) . . ?
N5 Na1 C23 132.68(13) . . ?
C24 Na1 C23 26.71(11) . . ?
O6 Na2 O5 69.92(10) . . ?
O6 Na2 O9 114.78(12) . 4_565 ?
O5 Na2 O9 150.71(14) . 4_565 ?
O6 Na2 O2 69.14(10) . . ?
O5 Na2 O2 67.65(10) . . ?
O9 Na2 O2 141.64(14) 4_565 . ?
O6 Na2 O11 154.13(14) . 4_565 ?
O5 Na2 O11 114.37(12) . 4_565 ?
O9 Na2 O11 48.54(11) 4_565 4_565 ?
O2 Na2 O11 136.70(13) . 4_565 ?
O6 Na2 O8 60.48(10) . . ?
O5 Na2 O8 129.28(11) . . ?
O9 Na2 O8 67.80(11) 4_565 . ?
O2 Na2 O8 84.92(10) . . ?
O11 Na2 O8 114.77(12) 4_565 . ?
O6 Na2 O4 122.17(12) . . ?
O5 Na2 O4 104.42(11) . . ?
O9 Na2 O4 96.93(14) 4_565 . ?
O2 Na2 O4 57.01(10) . . ?
O11 Na2 O4 82.49(13) 4_565 . ?
O8 Na2 O4 93.59(11) . . ?
O6 Na2 N5 135.77(12) . 4_565 ?
O5 Na2 N5 134.31(12) . 4_565 ?
O9 Na2 N5 24.20(10) 4_565 4_565 ?
O2 Na2 N5 146.92(12) . 4_565 ?
O11 Na2 N5 24.38(10) 4_565 4_565 ?
O8 Na2 N5 91.43(11) . 4_565 ?
O4 Na2 N5 90.57(12) . 4_565 ?
O6 Na2 C15 75.62(12) . . ?
O5 Na2 C15 92.54(11) . . ?
O9 Na2 C15 116.75(14) 4_565 . ?
O2 Na2 C15 24.91(10) . . ?
O11 Na2 C15 127.80(14) 4_565 . ?
O8 Na2 C15 66.50(11) . . ?
O4 Na2 C15 46.66(11) . . ?
N5 Na2 C15 126.52(12) 4_565 . ?
C1 O1 Dy1 134.7(3) . . ?
C1 O1 Na1 128.9(3) . . ?
Dy1 O1 Na1 95.40(11) . . ?
C15 O2 Dy1 137.2(3) . . ?
C15 O2 Na1 125.7(3) . . ?
Dy1 O2 Na1 96.57(11) . . ?
C15 O2 Na2 97.1(3) . . ?
Dy1 O2 Na2 89.98(11) . . ?
Na1 O2 Na2 87.78(11) . . ?
C2 O3 C21 117.6(4) . . ?
C2 O3 Na1 116.7(2) . . ?
C21 O3 Na1 125.7(3) . . ?
C20 O4 C22 116.8(4) . . ?
C20 O4 Na2 96.4(3) . . ?
C22 O4 Na2 120.5(4) . . ?
C20 O4 Na1 110.3(3) . . ?
C22 O4 Na1 125.6(4) . . ?
Na2 O4 Na1 77.65(10) . . ?
C23 O5 Dy1 131.6(3) . . ?
C23 O5 Na2 133.4(3) . . ?
Dy1 O5 Na2 94.34(10) . . ?
C23 O5 Na1 90.8(2) . . ?
Dy1 O5 Na1 86.87(10) . . ?
Na2 O5 Na1 83.87(10) . . ?
C37 O6 Dy1 122.9(3) . . ?
C37 O6 Na2 127.8(3) . . ?
Dy1 O6 Na2 95.11(10) . . ?
C24 O7 C43 116.3(3) . . ?
C24 O7 Na1 95.4(2) . . ?
C43 O7 Na1 125.0(3) . . ?
C42 O8 C44 116.9(3) . . ?
C42 O8 Na2 118.4(3) . . ?
C44 O8 Na2 124.6(3) . . ?
N5 O9 Na2 100.7(3) . 4_566 ?
N5 O9 Na1 93.8(3) . . ?
Na2 O9 Na1 160.42(18) 4_566 . ?
N5 O10 Na1 93.1(3) . . ?
N5 O11 Na2 91.4(3) . 4_566 ?
C45 O12 H12A 109.5 . . ?
C46 O13 H13 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O13 H13 O12 0.84 1.83 2.651(12) 165.5 1_564
O12 H12A O6 0.84 1.99 2.799(6) 160.8 1_556
C43 H43A O10 0.98 2.64 3.182(6) 115.1 .

_refine_diff_density_max         1.115
_refine_diff_density_min         -0.794
_refine_diff_density_rms         0.099

_vrf_PLAT910_complex_2           
;
PROBLEM:  Missing # of FCF Reflection(s) Below Theta(Min)          16 Note   
RESPONSE: Theta min = 2.74 deg. The theta value of the missing reflections 
are less than 2.74 deg. and therefore reflections were excluded.                                           
;
# end Validation Reply Form

#===END

