# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_exp_8797_sq
_database_code_depnum_ccdc_archive 'CCDC 1911942'
loop_
_audit_author_name
_audit_author_address
'sheng zhang'
;College of Chemistry and Chemical Engineering
China
;
_audit_update_record             
;
2019-04-24 deposited with the CCDC.	2019-07-22 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            'C47 H43 Dy N4 O6'
_chemical_formula_weight         922.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   28.0727(8)
_cell_length_b                   14.7955(4)
_cell_length_c                   20.9816(5)
_cell_angle_alpha                90
_cell_angle_beta                 96.313(2)
_cell_angle_gamma                90
_cell_volume                     8661.9(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6433
_cell_measurement_theta_min      3.9040
_cell_measurement_theta_max      71.2220

_exptl_crystal_description       block
_exptl_crystal_colour            white
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_F_000             3736
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    9.649
_shelx_estimated_absorpt_T_min   0.512
_shelx_estimated_absorpt_T_max   0.552
_exptl_absorpt_correction_T_min  0.26304
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18939
_diffrn_reflns_av_unetI/netI     0.0556
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.168
_diffrn_reflns_theta_max         67.244
_diffrn_reflns_theta_full        67.244
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7754
_reflns_number_gt                6054
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1096P)²+19.6200P] 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         7754
_refine_ls_number_parameters     525
_refine_ls_number_restraints     1872
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0407
_refine_ls_wR_factor_ref         0.1300
_refine_ls_wR_factor_gt          0.1104
_refine_ls_goodness_of_fit_ref   0.753
_refine_ls_restrained_S_all      0.696
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.66189(2) 0.15255(2) 0.68358(2) 0.03290(11) Uani 1 1 d . U . . .
N1 N 0.56910(14) 0.1602(3) 0.66436(18) 0.0404(9) Uani 1 1 d . U . . .
N2 N 0.62389(14) 0.0431(3) 0.59340(18) 0.0408(9) Uani 1 1 d . U . . .
N3 N 0.71456(14) 0.0053(3) 0.68091(18) 0.0380(8) Uani 1 1 d . U . . .
N4 N 0.74088(14) 0.1650(3) 0.62968(19) 0.0389(9) Uani 1 1 d . U . . .
O1 O 0.64434(11) 0.2435(2) 0.59997(15) 0.0422(7) Uani 1 1 d . U . . .
O2 O 0.56506(19) 0.4723(3) 0.5694(3) 0.0932(16) Uani 1 1 d . U . . .
O3 O 0.63954(11) 0.0632(2) 0.76289(14) 0.0428(7) Uani 1 1 d . U . . .
O4 O 0.62503(16) 0.1433(3) 0.94422(19) 0.0672(12) Uani 1 1 d . U . . .
O5 O 0.72615(11) 0.1865(2) 0.76008(15) 0.0406(7) Uani 1 1 d . U . . .
O6 O 0.64400(12) 0.2814(2) 0.73747(16) 0.0478(8) Uani 1 1 d . U . . .
C1 C 0.54560(17) 0.2317(4) 0.6847(3) 0.0483(11) Uani 1 1 d . U . . .
H1 H 0.5604 0.2655 0.7186 0.058 Uiso 1 1 calc R U . . .
C2 C 0.50087(19) 0.2576(4) 0.6582(3) 0.0570(13) Uani 1 1 d . U . . .
H2 H 0.4860 0.3077 0.6738 0.068 Uiso 1 1 calc R U . . .
C3 C 0.47876(18) 0.2091(4) 0.6089(3) 0.0569(14) Uani 1 1 d . U . . .
H3 H 0.4488 0.2264 0.5894 0.068 Uiso 1 1 calc R U . . .
C4 C 0.50114(19) 0.1337(4) 0.5881(3) 0.0534(13) Uani 1 1 d . U . . .
H4 H 0.4860 0.0983 0.5553 0.064 Uiso 1 1 calc R U . . .
C5 C 0.54660(17) 0.1110(4) 0.6166(2) 0.0446(11) Uani 1 1 d . U . . .
C6 C 0.57230(18) 0.0277(4) 0.5976(2) 0.0490(11) Uani 1 1 d . U . . .
H6A H 0.5688 -0.0196 0.6288 0.059 Uiso 1 1 calc R U . . .
H6B H 0.5574 0.0068 0.5563 0.059 Uiso 1 1 calc R U . . .
C7 C 0.63049(19) 0.0840(4) 0.5295(2) 0.0462(11) Uani 1 1 d . U . . .
H7A H 0.6641 0.0989 0.5290 0.055 Uiso 1 1 calc R U . . .
H7B H 0.6223 0.0390 0.4965 0.055 Uiso 1 1 calc R U . . .
C8 C 0.60146(18) 0.1671(4) 0.5127(2) 0.0457(11) Uani 1 1 d . U . . .
C9 C 0.5659(2) 0.1687(4) 0.4619(3) 0.0559(13) Uani 1 1 d . U . . .
H9 H 0.5608 0.1174 0.4364 0.067 Uiso 1 1 calc R U . . .
C10 C 0.5370(2) 0.2454(5) 0.4472(3) 0.0587(14) Uani 1 1 d . U . . .
C11 C 0.54474(19) 0.3197(4) 0.4853(3) 0.0537(13) Uani 1 1 d . U . . .
H11 H 0.5254 0.3703 0.4771 0.064 Uiso 1 1 calc R U . . .
C12 C 0.58136(18) 0.3217(4) 0.5370(2) 0.0459(11) Uani 1 1 d . U . . .
C13 C 0.60999(16) 0.2449(4) 0.5513(2) 0.0413(10) Uani 1 1 d . U . . .
C14 C 0.4963(3) 0.2414(6) 0.3924(4) 0.098(3) Uani 1 1 d . U . . .
H14A H 0.4785 0.1865 0.3955 0.148 Uiso 1 1 calc R U . . .
H14B H 0.5095 0.2429 0.3521 0.148 Uiso 1 1 calc R U . . .
H14C H 0.4755 0.2924 0.3952 0.148 Uiso 1 1 calc R U . . .
C15 C 0.5875(2) 0.4020(4) 0.5769(3) 0.0577(13) Uani 1 1 d . U . . .
H15 H 0.6110 0.3995 0.6117 0.069 Uiso 1 1 calc R U . . .
C16 C 0.64902(19) -0.0457(3) 0.5986(2) 0.0458(11) Uani 1 1 d . U . . .
H16A H 0.6433 -0.0771 0.5579 0.055 Uiso 1 1 calc R U . . .
H16B H 0.6358 -0.0822 0.6308 0.055 Uiso 1 1 calc R U . . .
C17 C 0.70225(19) -0.0360(3) 0.6163(2) 0.0452(11) Uani 1 1 d . U . . .
H17A H 0.7171 -0.0952 0.6156 0.054 Uiso 1 1 calc R U . . .
H17B H 0.7154 0.0012 0.5844 0.054 Uiso 1 1 calc R U . . .
C18 C 0.76549(17) 0.0294(3) 0.6890(2) 0.0437(11) Uani 1 1 d . U . . .
H18A H 0.7842 -0.0223 0.6780 0.052 Uiso 1 1 calc R U . . .
H18B H 0.7750 0.0440 0.7336 0.052 Uiso 1 1 calc R U . . .
C19 C 0.77671(17) 0.1080(3) 0.6483(2) 0.0390(10) Uani 1 1 d . U . . .
C20 C 0.8227(2) 0.1210(4) 0.6323(3) 0.0531(13) Uani 1 1 d . U . . .
H20 H 0.8468 0.0798 0.6454 0.064 Uiso 1 1 calc R U . . .
C21 C 0.8326(2) 0.1958(4) 0.5965(3) 0.0576(14) Uani 1 1 d . U . . .
H21 H 0.8634 0.2062 0.5857 0.069 Uiso 1 1 calc R U . . .
C22 C 0.7962(2) 0.2540(4) 0.5775(3) 0.0552(13) Uani 1 1 d . U . . .
H22 H 0.8019 0.3050 0.5536 0.066 Uiso 1 1 calc R U . . .
C23 C 0.75046(19) 0.2367(4) 0.5942(2) 0.0468(11) Uani 1 1 d . U . . .
H23 H 0.7257 0.2762 0.5803 0.056 Uiso 1 1 calc R U . . .
C24 C 0.70675(19) -0.0634(3) 0.7311(2) 0.0450(11) Uani 1 1 d . U . . .
H24A H 0.7309 -0.1102 0.7308 0.054 Uiso 1 1 calc R U . . .
H24B H 0.6757 -0.0915 0.7203 0.054 Uiso 1 1 calc R U . . .
C25 C 0.70880(18) -0.0244(3) 0.7974(2) 0.0413(10) Uani 1 1 d . U . . .
C26 C 0.74436(18) -0.0451(3) 0.8452(2) 0.0457(11) Uani 1 1 d . U . . .
H26 H 0.7695 -0.0816 0.8351 0.055 Uiso 1 1 calc R U . . .
C27 C 0.74495(19) -0.0145(3) 0.9082(2) 0.0444(11) Uani 1 1 d . U . . .
C28 C 0.70697(17) 0.0376(3) 0.9214(2) 0.0434(11) Uani 1 1 d . U . . .
H28 H 0.7056 0.0575 0.9632 0.052 Uiso 1 1 calc R U . . .
C29 C 0.66997(17) 0.0619(3) 0.8738(2) 0.0388(10) Uani 1 1 d . U . . .
C30 C 0.67146(17) 0.0346(3) 0.8099(2) 0.0394(10) Uani 1 1 d . U . . .
C31 C 0.7860(2) -0.0343(4) 0.9594(3) 0.0632(15) Uani 1 1 d . U . . .
H31A H 0.8072 0.0167 0.9639 0.095 Uiso 1 1 calc R U . . .
H31B H 0.8031 -0.0866 0.9474 0.095 Uiso 1 1 calc R U . . .
H31C H 0.7735 -0.0455 0.9995 0.095 Uiso 1 1 calc R U . . .
C32 C 0.63071(19) 0.1182(4) 0.8909(2) 0.0475(11) Uani 1 1 d . U . . .
H32 H 0.6080 0.1364 0.8577 0.057 Uiso 1 1 calc R U . . .
C33 C 0.8161(2) 0.1861(5) 0.8276(3) 0.0647(15) Uani 1 1 d . U . . .
H33 H 0.8143 0.1782 0.7834 0.078 Uiso 1 1 calc R U . . .
C34 C 0.8596(2) 0.1720(5) 0.8657(4) 0.0820(19) Uani 1 1 d . U . . .
H34 H 0.8864 0.1534 0.8470 0.098 Uiso 1 1 calc R U . . .
C35 C 0.8627(3) 0.1855(6) 0.9311(4) 0.086(2) Uani 1 1 d . U . . .
H35 H 0.8915 0.1764 0.9566 0.103 Uiso 1 1 calc R U . . .
C36 C 0.8235(2) 0.2119(5) 0.9574(3) 0.0703(17) Uani 1 1 d . U . . .
H36 H 0.8257 0.2221 1.0014 0.084 Uiso 1 1 calc R U . . .
C37 C 0.7805(2) 0.2242(4) 0.9209(3) 0.0547(13) Uani 1 1 d . U . . .
H37 H 0.7538 0.2413 0.9407 0.066 Uiso 1 1 calc R U . . .
C38 C 0.77605(17) 0.2117(3) 0.8554(2) 0.0413(10) Uani 1 1 d . U . . .
C39 C 0.73013(15) 0.2257(3) 0.8140(2) 0.0343(9) Uani 1 1 d . U . . .
C40 C 0.69517(16) 0.2842(3) 0.8341(2) 0.0376(10) Uani 1 1 d . U . . .
H40 H 0.6993 0.3061 0.8759 0.045 Uiso 1 1 calc R U . . .
C41 C 0.65485(16) 0.3105(3) 0.7945(2) 0.0378(10) Uani 1 1 d . U . . .
C42 C 0.62172(17) 0.3811(3) 0.8165(2) 0.0415(10) Uani 1 1 d . U . . .
C43 C 0.59658(19) 0.4361(4) 0.7715(3) 0.0536(13) Uani 1 1 d . U . . .
H43 H 0.6012 0.4306 0.7284 0.064 Uiso 1 1 calc R U . . .
C44 C 0.5643(2) 0.5000(5) 0.7903(3) 0.0702(17) Uani 1 1 d . U . . .
H44 H 0.5480 0.5381 0.7601 0.084 Uiso 1 1 calc R U . . .
C45 C 0.5568(2) 0.5063(5) 0.8529(3) 0.0719(17) Uani 1 1 d . U . . .
H45 H 0.5346 0.5476 0.8652 0.086 Uiso 1 1 calc R U . . .
C46 C 0.5816(2) 0.4529(4) 0.8979(3) 0.0664(15) Uani 1 1 d . U . . .
H46 H 0.5767 0.4588 0.9408 0.080 Uiso 1 1 calc R U . . .
C47 C 0.6138(2) 0.3900(4) 0.8798(3) 0.0519(12) Uani 1 1 d . U . . .
H47 H 0.6303 0.3533 0.9107 0.062 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.223(3) . ?
Dy1 O3 2.268(3) . ?
Dy1 O6 2.299(3) . ?
Dy1 O5 2.334(3) . ?
Dy1 N1 2.594(4) . ?
Dy1 N4 2.604(4) . ?
Dy1 N2 2.626(4) . ?
Dy1 N3 2.637(4) . ?
N1 C5 1.340(6) . ?
N1 C1 1.341(6) . ?
N2 C6 1.478(6) . ?
N2 C16 1.489(6) . ?
N2 C7 1.501(6) . ?
N3 C18 1.465(6) . ?
N3 C17 1.492(6) . ?
N3 C24 1.497(6) . ?
N4 C19 1.337(6) . ?
N4 C23 1.340(6) . ?
O1 C13 1.325(6) . ?
O2 C15 1.217(7) . ?
O3 C30 1.327(5) . ?
O4 C32 1.206(6) . ?
O5 C39 1.264(5) . ?
O6 C41 1.277(6) . ?
C1 C2 1.371(7) . ?
C2 C3 1.351(8) . ?
C3 C4 1.374(8) . ?
C4 C5 1.390(7) . ?
C5 C6 1.503(8) . ?
C7 C8 1.495(7) . ?
C8 C9 1.379(7) . ?
C8 C13 1.412(7) . ?
C9 C10 1.410(8) . ?
C10 C11 1.363(9) . ?
C10 C14 1.530(8) . ?
C11 C12 1.409(7) . ?
C12 C13 1.406(7) . ?
C12 C15 1.454(8) . ?
C16 C17 1.507(7) . ?
C18 C19 1.496(7) . ?
C19 C20 1.384(7) . ?
C20 C21 1.382(8) . ?
C21 C22 1.362(8) . ?
C22 C23 1.392(7) . ?
C24 C25 1.500(7) . ?
C25 C26 1.370(7) . ?
C25 C30 1.411(7) . ?
C26 C27 1.396(7) . ?
C27 C28 1.368(7) . ?
C27 C31 1.515(7) . ?
C28 C29 1.406(7) . ?
C29 C30 1.407(6) . ?
C29 C32 1.457(7) . ?
C33 C38 1.376(8) . ?
C33 C34 1.401(9) . ?
C34 C35 1.379(11) . ?
C35 C36 1.341(10) . ?
C36 C37 1.370(8) . ?
C37 C38 1.379(7) . ?
C38 C39 1.489(6) . ?
C39 C40 1.408(6) . ?
C40 C41 1.384(6) . ?
C41 C42 1.504(7) . ?
C42 C47 1.377(7) . ?
C42 C43 1.380(7) . ?
C43 C44 1.396(8) . ?
C44 C45 1.355(9) . ?
C45 C46 1.362(9) . ?
C46 C47 1.380(8) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O3 151.29(12) . . ?
O1 Dy1 O6 81.08(12) . . ?
O3 Dy1 O6 91.69(13) . . ?
O1 Dy1 O5 119.99(12) . . ?
O3 Dy1 O5 82.89(12) . . ?
O6 Dy1 O5 71.17(11) . . ?
O1 Dy1 N1 73.70(12) . . ?
O3 Dy1 N1 77.60(12) . . ?
O6 Dy1 N1 76.74(12) . . ?
O5 Dy1 N1 141.68(12) . . ?
O1 Dy1 N4 74.93(12) . . ?
O3 Dy1 N4 132.64(12) . . ?
O6 Dy1 N4 113.43(13) . . ?
O5 Dy1 N4 69.68(12) . . ?
N1 Dy1 N4 144.87(12) . . ?
O1 Dy1 N2 76.55(13) . . ?
O3 Dy1 N2 92.62(12) . . ?
O6 Dy1 N2 140.54(12) . . ?
O5 Dy1 N2 148.25(12) . . ?
N1 Dy1 N2 66.01(12) . . ?
N4 Dy1 N2 91.63(12) . . ?
O1 Dy1 N3 124.02(12) . . ?
O3 Dy1 N3 74.61(12) . . ?
O6 Dy1 N3 148.05(12) . . ?
O5 Dy1 N3 78.46(12) . . ?
N1 Dy1 N3 126.04(13) . . ?
N4 Dy1 N3 62.79(12) . . ?
N2 Dy1 N3 70.09(12) . . ?
C5 N1 C1 117.3(4) . . ?
C5 N1 Dy1 118.4(3) . . ?
C1 N1 Dy1 120.4(3) . . ?
C6 N2 C16 108.6(4) . . ?
C6 N2 C7 109.5(4) . . ?
C16 N2 C7 108.5(4) . . ?
C6 N2 Dy1 112.0(3) . . ?
C16 N2 Dy1 109.9(3) . . ?
C7 N2 Dy1 108.3(3) . . ?
C18 N3 C17 109.3(4) . . ?
C18 N3 C24 107.5(4) . . ?
C17 N3 C24 108.9(4) . . ?
C18 N3 Dy1 109.8(3) . . ?
C17 N3 Dy1 106.5(3) . . ?
C24 N3 Dy1 114.8(3) . . ?
C19 N4 C23 118.1(4) . . ?
C19 N4 Dy1 118.5(3) . . ?
C23 N4 Dy1 122.0(3) . . ?
C13 O1 Dy1 134.2(3) . . ?
C30 O3 Dy1 120.8(3) . . ?
C39 O5 Dy1 134.4(3) . . ?
C41 O6 Dy1 134.3(3) . . ?
N1 C1 C2 123.5(5) . . ?
C3 C2 C1 119.0(6) . . ?
C2 C3 C4 119.1(5) . . ?
C3 C4 C5 119.4(5) . . ?
N1 C5 C4 121.7(5) . . ?
N1 C5 C6 116.3(4) . . ?
C4 C5 C6 122.0(5) . . ?
N2 C6 C5 113.1(4) . . ?
C8 C7 N2 115.1(4) . . ?
C9 C8 C13 119.5(5) . . ?
C9 C8 C7 121.7(5) . . ?
C13 C8 C7 118.7(4) . . ?
C8 C9 C10 122.2(6) . . ?
C11 C10 C9 118.1(5) . . ?
C11 C10 C14 122.0(6) . . ?
C9 C10 C14 119.8(6) . . ?
C10 C11 C12 121.6(6) . . ?
C13 C12 C11 120.0(5) . . ?
C13 C12 C15 120.6(5) . . ?
C11 C12 C15 119.3(5) . . ?
O1 C13 C12 121.9(5) . . ?
O1 C13 C8 119.5(5) . . ?
C12 C13 C8 118.6(4) . . ?
O2 C15 C12 126.7(6) . . ?
N2 C16 C17 112.5(4) . . ?
N3 C17 C16 112.8(4) . . ?
N3 C18 C19 112.8(4) . . ?
N4 C19 C20 122.3(5) . . ?
N4 C19 C18 117.2(4) . . ?
C20 C19 C18 120.5(4) . . ?
C21 C20 C19 119.5(5) . . ?
C22 C21 C20 118.4(5) . . ?
C21 C22 C23 119.6(5) . . ?
N4 C23 C22 122.2(5) . . ?
N3 C24 C25 113.4(4) . . ?
C26 C25 C30 119.9(5) . . ?
C26 C25 C24 122.9(5) . . ?
C30 C25 C24 117.2(4) . . ?
C25 C26 C27 123.6(5) . . ?
C28 C27 C26 116.5(5) . . ?
C28 C27 C31 120.8(5) . . ?
C26 C27 C31 122.6(5) . . ?
C27 C28 C29 122.1(5) . . ?
C30 C29 C28 120.4(4) . . ?
C30 C29 C32 120.1(4) . . ?
C28 C29 C32 119.5(4) . . ?
O3 C30 C29 121.9(4) . . ?
O3 C30 C25 120.9(4) . . ?
C29 C30 C25 117.1(4) . . ?
O4 C32 C29 125.8(5) . . ?
C38 C33 C34 120.0(6) . . ?
C35 C34 C33 120.2(7) . . ?
C36 C35 C34 119.1(6) . . ?
C35 C36 C37 121.4(6) . . ?
C36 C37 C38 121.1(6) . . ?
C33 C38 C37 118.2(5) . . ?
C33 C38 C39 119.0(5) . . ?
C37 C38 C39 122.8(5) . . ?
O5 C39 C40 123.7(4) . . ?
O5 C39 C38 116.4(4) . . ?
C40 C39 C38 119.8(4) . . ?
C41 C40 C39 122.9(4) . . ?
O6 C41 C40 124.3(4) . . ?
O6 C41 C42 115.4(4) . . ?
C40 C41 C42 120.2(4) . . ?
C47 C42 C43 118.6(5) . . ?
C47 C42 C41 122.2(5) . . ?
C43 C42 C41 119.2(5) . . ?
C42 C43 C44 120.3(6) . . ?
C45 C44 C43 119.7(6) . . ?
C44 C45 C46 120.6(6) . . ?
C45 C46 C47 120.1(6) . . ?
C42 C47 C46 120.6(6) . . ?

_refine_diff_density_max         1.030
_refine_diff_density_min         -1.031
_refine_diff_density_rms         0.071



####################################################################### 
# 
# 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_exp_8796
_database_code_depnum_ccdc_archive 'CCDC 1911944'
loop_
_audit_author_name
_audit_author_address
'sheng zhang'
;College of Chemistry and Chemical Engineering
China
;
_audit_update_record             
;
2019-04-24 deposited with the CCDC.	2019-07-22 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            'C47 H43 Dy N4 O6'
_chemical_formula_weight         922.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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                   22.8533(7)
_cell_length_b                   15.4432(6)
_cell_length_c                   11.8920(4)
_cell_angle_alpha                90
_cell_angle_beta                 90.191(3)
_cell_angle_gamma                90
_cell_volume                     4197.0(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5866
_cell_measurement_theta_min      3.8800
_cell_measurement_theta_max      70.4540

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.460
_exptl_crystal_F_000             1868
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    9.957
_shelx_estimated_absorpt_T_min   0.503
_shelx_estimated_absorpt_T_max   0.542
_exptl_absorpt_correction_T_min  0.25313
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31929
_diffrn_reflns_av_unetI/netI     0.0684
_diffrn_reflns_av_R_equivalents  0.0742
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.454
_diffrn_reflns_theta_max         67.235
_diffrn_reflns_theta_full        67.235
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7521
_reflns_number_gt                5441
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0432P)²+1.9812P] 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         7521
_refine_ls_number_parameters     525
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0470
_refine_ls_wR_factor_ref         0.1155
_refine_ls_wR_factor_gt          0.1000
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.23059(2) 0.44214(2) 0.27524(2) 0.03516(10) Uani 1 1 d . . . . .
N1 N 0.14854(19) 0.4057(3) 0.1273(4) 0.0417(11) Uani 1 1 d . . . . .
N2 N 0.15914(19) 0.3145(3) 0.3319(4) 0.0451(11) Uani 1 1 d . . . . .
N3 N 0.28717(19) 0.3229(3) 0.3937(3) 0.0439(11) Uani 1 1 d . . . . .
N4 N 0.25085(18) 0.4775(3) 0.4854(3) 0.0421(11) Uani 1 1 d . . . . .
O1 O 0.15053(15) 0.5117(2) 0.3306(3) 0.0436(9) Uani 1 1 d . . . . .
O2 O 0.0350(2) 0.6931(3) 0.2210(5) 0.1068(19) Uani 1 1 d . . . . .
O3 O 0.27956(16) 0.3645(2) 0.1499(3) 0.0466(9) Uani 1 1 d . . . . .
O4 O 0.3772(2) 0.4736(3) -0.0978(4) 0.0813(15) Uani 1 1 d . . . . .
O5 O 0.23688(15) 0.5565(2) 0.1526(3) 0.0433(9) Uani 1 1 d . . . . .
O6 O 0.31937(15) 0.5091(2) 0.3043(3) 0.0419(9) Uani 1 1 d . . . . .
C1 C 0.1371(3) 0.4606(4) 0.0427(5) 0.0539(16) Uani 1 1 d . . . . .
H1 H 0.1647 0.5029 0.0258 0.065 Uiso 1 1 calc R U . . .
C2 C 0.0865(3) 0.4573(5) -0.0203(5) 0.0658(19) Uani 1 1 d . . . . .
H2 H 0.0807 0.4954 -0.0798 0.079 Uiso 1 1 calc R U . . .
C3 C 0.0446(3) 0.3968(5) 0.0059(6) 0.069(2) Uani 1 1 d . . . . .
H3 H 0.0100 0.3934 -0.0352 0.083 Uiso 1 1 calc R U . . .
C4 C 0.0549(3) 0.3416(4) 0.0938(5) 0.0607(17) Uani 1 1 d . . . . .
H4 H 0.0268 0.3012 0.1148 0.073 Uiso 1 1 calc R U . . .
C5 C 0.1077(2) 0.3464(4) 0.1510(5) 0.0475(14) Uani 1 1 d . . . . .
C6 C 0.1239(3) 0.2805(4) 0.2376(5) 0.0528(15) Uani 1 1 d . . . . .
H6A H 0.0883 0.2554 0.2675 0.063 Uiso 1 1 calc R U . . .
H6B H 0.1457 0.2344 0.2013 0.063 Uiso 1 1 calc R U . . .
C7 C 0.1199(3) 0.3507(4) 0.4204(5) 0.0570(17) Uani 1 1 d . . . . .
H7A H 0.1438 0.3791 0.4769 0.068 Uiso 1 1 calc R U . . .
H7B H 0.0997 0.3032 0.4567 0.068 Uiso 1 1 calc R U . . .
C8 C 0.0752(3) 0.4141(4) 0.3783(5) 0.0519(15) Uani 1 1 d . . . . .
C9 C 0.0941(2) 0.4944(4) 0.3358(4) 0.0436(14) Uani 1 1 d . . . . .
C10 C 0.0511(3) 0.5541(4) 0.2989(5) 0.0527(15) Uani 1 1 d . . . . .
C11 C -0.0083(3) 0.5318(5) 0.3053(5) 0.067(2) Uani 1 1 d . . . . .
H11 H -0.0363 0.5715 0.2813 0.081 Uiso 1 1 calc R U . . .
C12 C -0.0263(3) 0.4530(6) 0.3459(6) 0.072(2) Uani 1 1 d . . . . .
C13 C 0.0167(3) 0.3954(5) 0.3823(5) 0.0675(19) Uani 1 1 d . . . . .
H13 H 0.0052 0.3420 0.4105 0.081 Uiso 1 1 calc R U . . .
C14 C -0.0903(3) 0.4296(6) 0.3519(7) 0.111(3) Uani 1 1 d . . . . .
H14A H -0.1135 0.4810 0.3435 0.167 Uiso 1 1 calc R U . . .
H14B H -0.0984 0.4033 0.4233 0.167 Uiso 1 1 calc R U . . .
H14C H -0.0996 0.3896 0.2927 0.167 Uiso 1 1 calc R U . . .
C15 C 0.0683(3) 0.6364(5) 0.2525(6) 0.070(2) Uani 1 1 d . . . . .
H15 H 0.1082 0.6472 0.2461 0.085 Uiso 1 1 calc R U . . .
C16 C 0.1944(3) 0.2414(4) 0.3804(5) 0.0575(17) Uani 1 1 d . . . . .
H16A H 0.1687 0.2037 0.4226 0.069 Uiso 1 1 calc R U . . .
H16B H 0.2110 0.2078 0.3193 0.069 Uiso 1 1 calc R U . . .
C17 C 0.2428(3) 0.2711(4) 0.4556(5) 0.0582(17) Uani 1 1 d . . . . .
H17A H 0.2265 0.3060 0.5158 0.070 Uiso 1 1 calc R U . . .
H17B H 0.2616 0.2211 0.4893 0.070 Uiso 1 1 calc R U . . .
C18 C 0.3257(2) 0.3661(4) 0.4761(4) 0.0464(14) Uani 1 1 d . . . . .
H18A H 0.3593 0.3899 0.4372 0.056 Uiso 1 1 calc R U . . .
H18B H 0.3399 0.3235 0.5296 0.056 Uiso 1 1 calc R U . . .
C19 C 0.2953(2) 0.4373(4) 0.5384(5) 0.0481(14) Uani 1 1 d . . . . .
C20 C 0.3142(3) 0.4633(5) 0.6438(5) 0.067(2) Uani 1 1 d . . . . .
H20 H 0.3437 0.4329 0.6806 0.080 Uiso 1 1 calc R U . . .
C21 C 0.2890(3) 0.5343(6) 0.6935(6) 0.080(2) Uani 1 1 d . . . . .
H21 H 0.3014 0.5526 0.7641 0.095 Uiso 1 1 calc R U . . .
C22 C 0.2457(3) 0.5775(5) 0.6383(5) 0.072(2) Uani 1 1 d . . . . .
H22 H 0.2290 0.6270 0.6691 0.087 Uiso 1 1 calc R U . . .
C23 C 0.2270(3) 0.5461(4) 0.5351(5) 0.0553(16) Uani 1 1 d . . . . .
H23 H 0.1964 0.5744 0.4988 0.066 Uiso 1 1 calc R U . . .
C24 C 0.3243(3) 0.2647(4) 0.3243(5) 0.0563(16) Uani 1 1 d . . . . .
H24A H 0.2989 0.2257 0.2828 0.068 Uiso 1 1 calc R U . . .
H24B H 0.3482 0.2298 0.3743 0.068 Uiso 1 1 calc R U . . .
C25 C 0.3634(3) 0.3093(4) 0.2430(5) 0.0470(14) Uani 1 1 d . . . . .
C26 C 0.4231(3) 0.3041(4) 0.2496(5) 0.0582(17) Uani 1 1 d . . . . .
H26 H 0.4397 0.2747 0.3101 0.070 Uiso 1 1 calc R U . . .
C27 C 0.4605(3) 0.3412(4) 0.1691(6) 0.0632(18) Uani 1 1 d . . . . .
C28 C 0.4344(3) 0.3834(4) 0.0814(5) 0.0576(16) Uani 1 1 d . . . . .
H28 H 0.4580 0.4077 0.0263 0.069 Uiso 1 1 calc R U . . .
C29 C 0.3739(3) 0.3916(4) 0.0705(5) 0.0469(14) Uani 1 1 d . . . . .
C30 C 0.3363(2) 0.3561(4) 0.1529(5) 0.0443(14) Uani 1 1 d . . . . .
C31 C 0.5262(3) 0.3355(5) 0.1813(7) 0.093(3) Uani 1 1 d . . . . .
H31A H 0.5433 0.3227 0.1095 0.140 Uiso 1 1 calc R U . . .
H31B H 0.5360 0.2904 0.2336 0.140 Uiso 1 1 calc R U . . .
H31C H 0.5412 0.3897 0.2085 0.140 Uiso 1 1 calc R U . . .
C32 C 0.3493(3) 0.4411(4) -0.0221(5) 0.0565(16) Uani 1 1 d . . . . .
H32 H 0.3089 0.4484 -0.0235 0.068 Uiso 1 1 calc R U . . .
C33 C 0.2030(3) 0.6842(4) 0.0040(5) 0.0577(16) Uani 1 1 d . . . . .
H33 H 0.1756 0.6631 0.0547 0.069 Uiso 1 1 calc R U . . .
C34 C 0.1850(3) 0.7384(5) -0.0818(6) 0.076(2) Uani 1 1 d . . . . .
H34 H 0.1457 0.7536 -0.0886 0.091 Uiso 1 1 calc R U . . .
C35 C 0.2254(4) 0.7698(5) -0.1569(6) 0.077(2) Uani 1 1 d . . . . .
H35 H 0.2138 0.8075 -0.2138 0.093 Uiso 1 1 calc R U . . .
C36 C 0.2826(4) 0.7455(5) -0.1474(6) 0.080(2) Uani 1 1 d . . . . .
H36 H 0.3097 0.7658 -0.1992 0.096 Uiso 1 1 calc R U . . .
C37 C 0.3010(3) 0.6904(4) -0.0611(5) 0.0606(17) Uani 1 1 d . . . . .
H37 H 0.3400 0.6739 -0.0556 0.073 Uiso 1 1 calc R U . . .
C38 C 0.2607(3) 0.6607(3) 0.0159(4) 0.0445(14) Uani 1 1 d . . . . .
C39 C 0.2783(2) 0.6019(3) 0.1110(4) 0.0392(13) Uani 1 1 d . . . . .
C40 C 0.3347(2) 0.6033(3) 0.1519(4) 0.0410(13) Uani 1 1 d . . . . .
H40 H 0.3626 0.6350 0.1127 0.049 Uiso 1 1 calc R U . . .
C41 C 0.3522(2) 0.5597(3) 0.2488(4) 0.0370(12) Uani 1 1 d . . . . .
C42 C 0.4112(2) 0.5760(4) 0.2981(5) 0.0459(14) Uani 1 1 d . . . . .
C43 C 0.4165(3) 0.5855(4) 0.4117(5) 0.0641(19) Uani 1 1 d . . . . .
H43 H 0.3837 0.5808 0.4572 0.077 Uiso 1 1 calc R U . . .
C44 C 0.4708(3) 0.6019(6) 0.4594(7) 0.094(3) Uani 1 1 d . . . . .
H44 H 0.4742 0.6103 0.5366 0.113 Uiso 1 1 calc R U . . .
C45 C 0.5193(3) 0.6058(6) 0.3926(8) 0.100(3) Uani 1 1 d . . . . .
H45 H 0.5559 0.6160 0.4246 0.120 Uiso 1 1 calc R U . . .
C46 C 0.5144(3) 0.5948(5) 0.2793(8) 0.084(2) Uani 1 1 d . . . . .
H46 H 0.5476 0.5968 0.2342 0.101 Uiso 1 1 calc R U . . .
C47 C 0.4609(3) 0.5808(4) 0.2321(6) 0.0621(18) Uani 1 1 d . . . . .
H47 H 0.4577 0.5743 0.1546 0.074 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O3 2.219(4) . ?
Dy1 O1 2.224(4) . ?
Dy1 O5 2.295(3) . ?
Dy1 O6 2.302(3) . ?
Dy1 N4 2.598(4) . ?
Dy1 N1 2.628(4) . ?
Dy1 N2 2.648(4) . ?
Dy1 N3 2.652(4) . ?
N1 C5 1.338(7) . ?
N1 C1 1.340(7) . ?
N2 C6 1.476(6) . ?
N2 C7 1.494(7) . ?
N2 C16 1.502(7) . ?
N3 C18 1.475(6) . ?
N3 C24 1.488(7) . ?
N3 C17 1.489(6) . ?
N4 C23 1.330(7) . ?
N4 C19 1.346(7) . ?
O1 C9 1.318(6) . ?
O2 C15 1.218(7) . ?
O3 C30 1.303(6) . ?
O4 C32 1.214(7) . ?
O5 C39 1.280(6) . ?
O6 C41 1.270(6) . ?
C1 C2 1.378(8) . ?
C2 C3 1.374(9) . ?
C3 C4 1.369(8) . ?
C4 C5 1.385(7) . ?
C5 C6 1.494(7) . ?
C7 C8 1.500(8) . ?
C8 C13 1.367(8) . ?
C8 C9 1.408(8) . ?
C9 C10 1.416(8) . ?
C10 C11 1.404(8) . ?
C10 C15 1.440(9) . ?
C11 C12 1.374(9) . ?
C12 C13 1.393(9) . ?
C12 C14 1.507(9) . ?
C16 C17 1.491(7) . ?
C18 C19 1.498(7) . ?
C19 C20 1.383(8) . ?
C20 C21 1.373(9) . ?
C21 C22 1.360(9) . ?
C22 C23 1.385(8) . ?
C24 C25 1.488(8) . ?
C25 C26 1.369(8) . ?
C25 C30 1.432(7) . ?
C26 C27 1.407(8) . ?
C27 C28 1.365(8) . ?
C27 C31 1.512(8) . ?
C28 C29 1.393(8) . ?
C29 C30 1.417(7) . ?
C29 C32 1.452(8) . ?
C33 C38 1.373(8) . ?
C33 C34 1.382(8) . ?
C34 C35 1.377(9) . ?
C35 C36 1.364(9) . ?
C36 C37 1.397(8) . ?
C37 C38 1.379(7) . ?
C38 C39 1.504(7) . ?
C39 C40 1.376(7) . ?
C40 C41 1.392(7) . ?
C41 C42 1.491(7) . ?
C42 C43 1.364(8) . ?
C42 C47 1.385(8) . ?
C43 C44 1.385(8) . ?
C44 C45 1.369(10) . ?
C45 C46 1.362(10) . ?
C46 C47 1.360(9) . ?

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
O3 Dy1 O1 151.35(13) . . ?
O3 Dy1 O5 87.47(13) . . ?
O1 Dy1 O5 82.52(13) . . ?
O3 Dy1 O6 84.11(13) . . ?
O1 Dy1 O6 117.65(13) . . ?
O5 Dy1 O6 72.13(12) . . ?
O3 Dy1 N4 132.16(13) . . ?
O1 Dy1 N4 75.97(13) . . ?
O5 Dy1 N4 115.98(13) . . ?
O6 Dy1 N4 66.84(12) . . ?
O3 Dy1 N1 78.17(13) . . ?
O1 Dy1 N1 73.48(13) . . ?
O5 Dy1 N1 77.59(13) . . ?
O6 Dy1 N1 145.41(13) . . ?
N4 Dy1 N1 144.43(13) . . ?
O3 Dy1 N2 94.68(14) . . ?
O1 Dy1 N2 77.03(14) . . ?
O5 Dy1 N2 140.74(13) . . ?
O6 Dy1 N2 147.12(13) . . ?
N4 Dy1 N2 91.14(14) . . ?
N1 Dy1 N2 64.65(14) . . ?
O3 Dy1 N3 74.68(13) . . ?
O1 Dy1 N3 125.33(13) . . ?
O5 Dy1 N3 147.16(13) . . ?
O6 Dy1 N3 78.68(13) . . ?
N4 Dy1 N3 63.26(14) . . ?
N1 Dy1 N3 123.56(14) . . ?
N2 Dy1 N3 69.40(14) . . ?
C5 N1 C1 117.2(5) . . ?
C5 N1 Dy1 120.1(4) . . ?
C1 N1 Dy1 120.2(4) . . ?
C6 N2 C7 110.0(4) . . ?
C6 N2 C16 108.4(5) . . ?
C7 N2 C16 109.5(4) . . ?
C6 N2 Dy1 114.0(3) . . ?
C7 N2 Dy1 105.8(3) . . ?
C16 N2 Dy1 109.0(3) . . ?
C18 N3 C24 107.5(4) . . ?
C18 N3 C17 108.8(4) . . ?
C24 N3 C17 109.9(4) . . ?
C18 N3 Dy1 109.2(3) . . ?
C24 N3 Dy1 113.7(3) . . ?
C17 N3 Dy1 107.7(3) . . ?
C23 N4 C19 118.0(5) . . ?
C23 N4 Dy1 121.5(4) . . ?
C19 N4 Dy1 119.0(4) . . ?
C9 O1 Dy1 136.2(4) . . ?
C30 O3 Dy1 122.7(3) . . ?
C39 O5 Dy1 135.7(3) . . ?
C41 O6 Dy1 136.0(3) . . ?
N1 C1 C2 123.0(6) . . ?
C3 C2 C1 119.1(6) . . ?
C4 C3 C2 118.5(6) . . ?
C3 C4 C5 119.3(6) . . ?
N1 C5 C4 122.7(6) . . ?
N1 C5 C6 116.2(5) . . ?
C4 C5 C6 121.0(6) . . ?
N2 C6 C5 114.5(5) . . ?
N2 C7 C8 114.8(5) . . ?
C13 C8 C9 120.0(6) . . ?
C13 C8 C7 121.0(6) . . ?
C9 C8 C7 119.0(5) . . ?
O1 C9 C8 119.9(5) . . ?
O1 C9 C10 122.1(6) . . ?
C8 C9 C10 118.1(5) . . ?
C11 C10 C9 119.6(6) . . ?
C11 C10 C15 120.2(6) . . ?
C9 C10 C15 120.2(6) . . ?
C12 C11 C10 121.9(7) . . ?
C11 C12 C13 117.5(6) . . ?
C11 C12 C14 121.4(7) . . ?
C13 C12 C14 121.1(8) . . ?
C8 C13 C12 122.9(7) . . ?
O2 C15 C10 125.5(7) . . ?
C17 C16 N2 113.3(5) . . ?
N3 C17 C16 111.9(5) . . ?
N3 C18 C19 112.5(4) . . ?
N4 C19 C20 121.5(6) . . ?
N4 C19 C18 117.3(5) . . ?
C20 C19 C18 121.2(5) . . ?
C21 C20 C19 119.5(6) . . ?
C22 C21 C20 119.3(6) . . ?
C21 C22 C23 118.5(7) . . ?
N4 C23 C22 123.1(6) . . ?
N3 C24 C25 115.2(5) . . ?
C26 C25 C30 120.2(6) . . ?
C26 C25 C24 122.5(5) . . ?
C30 C25 C24 117.3(5) . . ?
C25 C26 C27 122.9(6) . . ?
C28 C27 C26 116.7(6) . . ?
C28 C27 C31 122.2(6) . . ?
C26 C27 C31 121.1(6) . . ?
C27 C28 C29 123.1(6) . . ?
C28 C29 C30 120.3(6) . . ?
C28 C29 C32 120.0(6) . . ?
C30 C29 C32 119.6(5) . . ?
O3 C30 C29 123.3(5) . . ?
O3 C30 C25 120.0(5) . . ?
C29 C30 C25 116.8(5) . . ?
O4 C32 C29 125.3(6) . . ?
C38 C33 C34 121.4(6) . . ?
C35 C34 C33 119.5(7) . . ?
C36 C35 C34 119.6(7) . . ?
C35 C36 C37 121.0(7) . . ?
C38 C37 C36 119.4(7) . . ?
C33 C38 C37 119.1(6) . . ?
C33 C38 C39 119.4(5) . . ?
C37 C38 C39 121.5(6) . . ?
O5 C39 C40 124.4(5) . . ?
O5 C39 C38 115.2(5) . . ?
C40 C39 C38 120.3(5) . . ?
C39 C40 C41 123.4(5) . . ?
O6 C41 C40 124.1(5) . . ?
O6 C41 C42 115.8(5) . . ?
C40 C41 C42 120.0(5) . . ?
C43 C42 C47 119.0(6) . . ?
C43 C42 C41 119.0(5) . . ?
C47 C42 C41 122.0(5) . . ?
C42 C43 C44 120.1(7) . . ?
C45 C44 C43 119.8(7) . . ?
C46 C45 C44 120.3(7) . . ?
C47 C46 C45 119.9(7) . . ?
C46 C47 C42 120.8(7) . . ?

_refine_diff_density_max         1.305
_refine_diff_density_min         -0.653
_refine_diff_density_rms         0.083

####################################################################### 
# 
# 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_exp_8697_sq
_database_code_depnum_ccdc_archive 'CCDC 1911943'
loop_
_audit_author_name
_audit_author_address
'sheng zhang'
;College of Chemistry and Chemical Engineering
China
;
_audit_update_record             
;
2019-04-24 deposited with the CCDC.	2019-07-22 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            'C77 H65 Dy2 N4 O10'
_chemical_formula_weight         1531.33

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      cubic
_space_group_IT_number           205
_space_group_name_H-M_alt        'P a -3'
_space_group_name_Hall           '-P 2ac 2ab 3'

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

_cell_length_a                   35.2909(6)
_cell_length_b                   35.2909(6)
_cell_length_c                   35.2909(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     43953(2)
_cell_formula_units_Z            24
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3740
_cell_measurement_theta_min      3.7440
_cell_measurement_theta_max      68.8640

_exptl_crystal_description       block
_exptl_crystal_colour            white
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_F_000             18408
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    11.254
_shelx_estimated_absorpt_T_min   0.466
_shelx_estimated_absorpt_T_max   0.506
_exptl_absorpt_correction_T_min  0.39100
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32141
_diffrn_reflns_av_unetI/netI     0.1157
_diffrn_reflns_av_R_equivalents  0.0850
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         2.800
_diffrn_reflns_theta_max         67.242
_diffrn_reflns_theta_full        67.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             13158
_reflns_number_gt                6908
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1518P)²+29.8048P] 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         13158
_refine_ls_number_parameters     840
_refine_ls_number_restraints     2934
_refine_ls_R_factor_all          0.1354
_refine_ls_R_factor_gt           0.0679
_refine_ls_wR_factor_ref         0.2383
_refine_ls_wR_factor_gt          0.1803
_refine_ls_goodness_of_fit_ref   0.851
_refine_ls_restrained_S_all      0.807
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.72307(2) 0.85805(2) 0.47151(2) 0.04563(19) Uani 1 1 d . U . . .
Dy2 Dy 0.77642(2) 0.90324(2) 0.55720(2) 0.04847(19) Uani 1 1 d . U . . .
O1 O 0.7223(2) 0.7924(2) 0.4731(2) 0.0619(17) Uani 1 1 d . U . . .
O2 O 0.7148(2) 0.8379(2) 0.4101(2) 0.0587(17) Uani 1 1 d . U . . .
O3 O 0.6751(2) 0.8412(2) 0.5125(2) 0.0577(17) Uani 1 1 d . U . . .
O4 O 0.6697(2) 0.8932(2) 0.4543(2) 0.0544(16) Uani 1 1 d . U . . .
O5 O 0.8286(2) 0.9014(2) 0.5187(2) 0.0639(17) Uani 1 1 d . U . . .
O6 O 0.7887(2) 0.9638(2) 0.5387(2) 0.0677(17) Uani 1 1 d . U . . .
O7 O 0.7882(2) 0.8387(2) 0.4535(2) 0.0606(17) Uani 1 1 d . U . . .
O8 O 0.7600(2) 0.84922(19) 0.52484(19) 0.0494(15) Uani 1 1 d . U . . .
O9 O 0.7292(2) 0.91072(19) 0.5127(2) 0.0506(15) Uani 1 1 d . U . . .
O10 O 0.7531(2) 0.9113(2) 0.4387(2) 0.0642(19) Uani 1 1 d . U . . .
N1 N 0.8247(3) 0.8636(3) 0.5955(3) 0.063(2) Uani 1 1 d . U . . .
N2 N 0.7482(3) 0.8571(3) 0.6061(3) 0.0580(19) Uani 1 1 d . U . . .
N3 N 0.7217(3) 0.9377(3) 0.5935(3) 0.0583(19) Uani 1 1 d . U . . .
N4 N 0.7969(3) 0.9443(3) 0.6145(3) 0.071(2) Uani 1 1 d . U . . .
C1 C 0.7411(4) 0.7249(3) 0.5050(3) 0.085(3) Uani 1 1 d D U . . .
H1 H 0.7330 0.7447 0.5204 0.102 Uiso 1 1 calc R U . . .
C2 C 0.7519(5) 0.6912(4) 0.5211(3) 0.112(4) Uani 1 1 d D U . . .
H2 H 0.7482 0.6871 0.5468 0.134 Uiso 1 1 calc R U . . .
C3 C 0.7681(6) 0.6639(4) 0.4992(4) 0.133(4) Uani 1 1 d D U . . .
H3 H 0.7788 0.6426 0.5105 0.159 Uiso 1 1 calc R U . . .
C4 C 0.7685(6) 0.6678(4) 0.4607(4) 0.136(4) Uani 1 1 d D U . . .
H4 H 0.7765 0.6478 0.4455 0.163 Uiso 1 1 calc R U . . .
C5 C 0.7572(6) 0.7014(4) 0.4445(3) 0.120(4) Uani 1 1 d D U . . .
H5 H 0.7598 0.7050 0.4185 0.143 Uiso 1 1 calc R U . . .
C6 C 0.7422(5) 0.7295(3) 0.4666(3) 0.094(3) Uani 1 1 d D U . . .
C7 C 0.7317(4) 0.7667(4) 0.4496(4) 0.074(2) Uani 1 1 d . U . . .
C8 C 0.7328(4) 0.7735(3) 0.4109(4) 0.067(2) Uani 1 1 d . U . . .
H8 H 0.7399 0.7534 0.3955 0.081 Uiso 1 1 calc R U . . .
C9 C 0.7243(4) 0.8076(4) 0.3932(3) 0.063(2) Uani 1 1 d . U . . .
C10 C 0.7255(4) 0.8089(4) 0.3504(3) 0.066(3) Uani 1 1 d . U . . .
C11 C 0.7511(4) 0.7867(4) 0.3306(4) 0.081(3) Uani 1 1 d . U . . .
H11 H 0.7663 0.7693 0.3432 0.097 Uiso 1 1 calc R U . . .
C12 C 0.7537(5) 0.7910(5) 0.2914(4) 0.091(3) Uani 1 1 d . U . . .
H12 H 0.7717 0.7773 0.2779 0.109 Uiso 1 1 calc R U . . .
C13 C 0.7299(5) 0.8156(4) 0.2724(4) 0.089(3) Uani 1 1 d . U . . .
H13 H 0.7309 0.8173 0.2461 0.107 Uiso 1 1 calc R U . . .
C14 C 0.7051(4) 0.8369(4) 0.2922(4) 0.080(3) Uani 1 1 d . U . . .
H14 H 0.6892 0.8536 0.2794 0.096 Uiso 1 1 calc R U . . .
C15 C 0.7031(4) 0.8343(4) 0.3317(4) 0.072(3) Uani 1 1 d . U . . .
H15 H 0.6865 0.8498 0.3451 0.086 Uiso 1 1 calc R U . . .
C16 C 0.6399(3) 0.8036(4) 0.5682(3) 0.064(3) Uani 1 1 d . U . . .
H16 H 0.6584 0.7918 0.5537 0.077 Uiso 1 1 calc R U . . .
C17 C 0.6253(4) 0.7850(4) 0.6000(4) 0.073(3) Uani 1 1 d . U . . .
H17 H 0.6333 0.7607 0.6064 0.088 Uiso 1 1 calc R U . . .
C18 C 0.5990(4) 0.8038(4) 0.6216(4) 0.082(3) Uani 1 1 d . U . . .
H18 H 0.5895 0.7919 0.6431 0.098 Uiso 1 1 calc R U . . .
C19 C 0.5863(4) 0.8389(4) 0.6128(4) 0.084(3) Uani 1 1 d . U . . .
H19 H 0.5683 0.8510 0.6278 0.101 Uiso 1 1 calc R U . . .
C20 C 0.6013(4) 0.8568(4) 0.5801(3) 0.069(3) Uani 1 1 d . U . . .
H20 H 0.5934 0.8811 0.5735 0.083 Uiso 1 1 calc R U . . .
C21 C 0.6274(3) 0.8384(3) 0.5583(3) 0.057(2) Uani 1 1 d . U . . .
C22 C 0.6445(3) 0.8563(3) 0.5232(3) 0.049(2) Uani 1 1 d . U . . .
C23 C 0.6264(3) 0.8854(3) 0.5050(3) 0.057(2) Uani 1 1 d . U . . .
H23 H 0.6039 0.8942 0.5155 0.068 Uiso 1 1 calc R U . . .
C24 C 0.6391(3) 0.9030(3) 0.4714(3) 0.057(2) Uani 1 1 d . U . . .
C25 C 0.6171(4) 0.9344(3) 0.4546(4) 0.062(2) Uani 1 1 d . U . . .
C26 C 0.5790(4) 0.9407(4) 0.4629(4) 0.076(3) Uani 1 1 d . U . . .
H26 H 0.5659 0.9239 0.4784 0.091 Uiso 1 1 calc R U . . .
C27 C 0.5603(4) 0.9721(4) 0.4479(4) 0.083(3) Uani 1 1 d . U . . .
H27 H 0.5350 0.9765 0.4537 0.100 Uiso 1 1 calc R U . . .
C28 C 0.5795(5) 0.9965(4) 0.4244(4) 0.087(3) Uani 1 1 d . U . . .
H28 H 0.5671 1.0176 0.4148 0.104 Uiso 1 1 calc R U . . .
C29 C 0.6160(4) 0.9905(4) 0.4150(4) 0.083(3) Uani 1 1 d . U . . .
H29 H 0.6284 1.0073 0.3990 0.100 Uiso 1 1 calc R U . . .
C30 C 0.6348(4) 0.9592(4) 0.4293(4) 0.071(3) Uani 1 1 d . U . . .
H30 H 0.6596 0.9546 0.4219 0.085 Uiso 1 1 calc R U . . .
C31 C 0.8898(4) 0.8712(5) 0.4827(4) 0.091(3) Uani 1 1 d . U . . .
H31 H 0.8727 0.8558 0.4955 0.109 Uiso 1 1 calc R U . . .
C32 C 0.9201(5) 0.8537(5) 0.4648(5) 0.107(4) Uani 1 1 d . U . . .
H32 H 0.9239 0.8277 0.4653 0.129 Uiso 1 1 calc R U . . .
C33 C 0.9447(5) 0.8790(6) 0.4460(5) 0.106(4) Uani 1 1 d . U . . .
H33 H 0.9665 0.8691 0.4349 0.127 Uiso 1 1 calc R U . . .
C34 C 0.9390(5) 0.9151(6) 0.4431(5) 0.112(4) Uani 1 1 d . U . . .
H34 H 0.9548 0.9300 0.4282 0.134 Uiso 1 1 calc R U . . .
C35 C 0.9083(4) 0.9316(5) 0.4631(5) 0.098(3) Uani 1 1 d . U . . .
H35 H 0.9051 0.9578 0.4630 0.118 Uiso 1 1 calc R U . . .
C36 C 0.8834(4) 0.9089(5) 0.4827(4) 0.082(3) Uani 1 1 d . U . . .
C37 C 0.8517(4) 0.9254(4) 0.5049(4) 0.078(3) Uani 1 1 d . U . . .
C38 C 0.8487(4) 0.9639(4) 0.5120(4) 0.083(3) Uani 1 1 d . U . . .
H38 H 0.8689 0.9792 0.5049 0.100 Uiso 1 1 calc R U . . .
C39 C 0.8181(4) 0.9813(4) 0.5290(4) 0.074(3) Uani 1 1 d . U . . .
C40 C 0.8193(5) 1.0220(5) 0.5386(5) 0.094(3) Uani 1 1 d . U . . .
C41 C 0.8539(5) 1.0405(5) 0.5469(5) 0.107(3) Uani 1 1 d . U . . .
H41 H 0.8771 1.0284 0.5435 0.129 Uiso 1 1 calc R U . . .
C42 C 0.8517(6) 1.0797(6) 0.5612(6) 0.126(4) Uani 1 1 d . U . . .
H42 H 0.8735 1.0928 0.5683 0.152 Uiso 1 1 calc R U . . .
C43 C 0.8186(7) 1.0955(6) 0.5637(6) 0.127(4) Uani 1 1 d . U . . .
H43 H 0.8174 1.1196 0.5744 0.153 Uiso 1 1 calc R U . . .
C44 C 0.7872(6) 1.0804(6) 0.5525(6) 0.120(4) Uani 1 1 d . U . . .
H44 H 0.7649 1.0944 0.5527 0.144 Uiso 1 1 calc R U . . .
C45 C 0.7872(5) 1.0422(5) 0.5401(5) 0.102(3) Uani 1 1 d . U . . .
H45 H 0.7645 1.0310 0.5329 0.122 Uiso 1 1 calc R U . . .
C46 C 0.8097(4) 0.8162(3) 0.4698(3) 0.064(2) Uani 1 1 d . U . . .
H46 H 0.8303 0.8075 0.4560 0.076 Uiso 1 1 calc R U . . .
C47 C 0.8061(3) 0.8021(3) 0.5082(3) 0.059(2) Uani 1 1 d . U . . .
C48 C 0.8280(4) 0.7715(3) 0.5190(4) 0.066(3) Uani 1 1 d . U . . .
H48 H 0.8458 0.7618 0.5022 0.079 Uiso 1 1 calc R U . . .
C49 C 0.8237(4) 0.7550(3) 0.5543(4) 0.068(3) Uani 1 1 d . U . . .
C50 C 0.7972(3) 0.7703(3) 0.5794(4) 0.065(2) Uani 1 1 d . U . . .
H50 H 0.7946 0.7599 0.6035 0.078 Uiso 1 1 calc R U . . .
C51 C 0.7746(3) 0.8013(3) 0.5687(3) 0.060(2) Uani 1 1 d . U . . .
C52 C 0.7804(3) 0.8177(3) 0.5332(3) 0.054(2) Uani 1 1 d . U . . .
C53 C 0.8473(4) 0.7209(4) 0.5659(5) 0.095(5) Uani 1 1 d . U . . .
H53A H 0.8311 0.6991 0.5684 0.142 Uiso 1 1 calc R U . . .
H53B H 0.8594 0.7259 0.5897 0.142 Uiso 1 1 calc R U . . .
H53C H 0.8662 0.7160 0.5469 0.142 Uiso 1 1 calc R U . . .
C54 C 0.7430(3) 0.8177(3) 0.5931(3) 0.061(2) Uani 1 1 d . U . . .
H54A H 0.7196 0.8164 0.5788 0.073 Uiso 1 1 calc R U . . .
H54B H 0.7401 0.8017 0.6152 0.073 Uiso 1 1 calc R U . . .
C55 C 0.7733(3) 0.8574(4) 0.6408(3) 0.069(2) Uani 1 1 d . U . . .
H55A H 0.7649 0.8382 0.6586 0.082 Uiso 1 1 calc R U . . .
H55B H 0.7719 0.8819 0.6532 0.082 Uiso 1 1 calc R U . . .
C56 C 0.8135(4) 0.8494(4) 0.6284(4) 0.069(2) Uani 1 1 d . U . . .
C57 C 0.8361(4) 0.8300(4) 0.6531(4) 0.084(3) Uani 1 1 d . U . . .
H57 H 0.8276 0.8224 0.6768 0.101 Uiso 1 1 calc R U . . .
C58 C 0.8728(4) 0.8223(5) 0.6404(5) 0.095(3) Uani 1 1 d . U . . .
H58 H 0.8890 0.8077 0.6552 0.113 Uiso 1 1 calc R U . . .
C59 C 0.8849(4) 0.8362(4) 0.6064(5) 0.088(3) Uani 1 1 d . U . . .
H59 H 0.9094 0.8316 0.5977 0.106 Uiso 1 1 calc R U . . .
C60 C 0.8605(3) 0.8566(4) 0.5857(4) 0.071(2) Uani 1 1 d . U . . .
H60 H 0.8691 0.8666 0.5630 0.085 Uiso 1 1 calc R U . . .
C61 C 0.7099(3) 0.8724(3) 0.6169(3) 0.058(2) Uani 1 1 d . U . . .
H61A H 0.7007 0.8586 0.6389 0.070 Uiso 1 1 calc R U . . .
H61B H 0.6923 0.8678 0.5962 0.070 Uiso 1 1 calc R U . . .
C62 C 0.7101(3) 0.9141(4) 0.6258(3) 0.065(2) Uani 1 1 d . U . . .
H62A H 0.6849 0.9216 0.6338 0.078 Uiso 1 1 calc R U . . .
H62B H 0.7273 0.9186 0.6468 0.078 Uiso 1 1 calc R U . . .
C63 C 0.7350(3) 0.9755(4) 0.6068(4) 0.069(2) Uani 1 1 d . U . . .
H63A H 0.7175 0.9848 0.6260 0.083 Uiso 1 1 calc R U . . .
H63B H 0.7343 0.9931 0.5857 0.083 Uiso 1 1 calc R U . . .
C64 C 0.7752(4) 0.9749(4) 0.6235(4) 0.076(3) Uani 1 1 d . U . . .
C65 C 0.7863(4) 1.0054(5) 0.6427(4) 0.092(3) Uani 1 1 d . U . . .
H65 H 0.7693 1.0250 0.6473 0.111 Uiso 1 1 calc R U . . .
C66 C 0.8225(4) 1.0080(5) 0.6554(5) 0.101(4) Uani 1 1 d . U . . .
H66 H 0.8315 1.0296 0.6674 0.121 Uiso 1 1 calc R U . . .
C67 C 0.8453(4) 0.9764(5) 0.6496(5) 0.098(4) Uani 1 1 d . U . . .
H67 H 0.8694 0.9758 0.6602 0.118 Uiso 1 1 calc R U . . .
C68 C 0.8327(4) 0.9458(4) 0.6283(4) 0.083(3) Uani 1 1 d . U . . .
H68 H 0.8492 0.9259 0.6233 0.099 Uiso 1 1 calc R U . . .
C69 C 0.6876(3) 0.9448(3) 0.5690(3) 0.061(2) Uani 1 1 d . U . . .
H69A H 0.6760 0.9206 0.5628 0.073 Uiso 1 1 calc R U . . .
H69B H 0.6693 0.9594 0.5833 0.073 Uiso 1 1 calc R U . . .
C70 C 0.6963(3) 0.9650(3) 0.5334(3) 0.060(2) Uani 1 1 d . U . . .
C71 C 0.6842(4) 1.0026(4) 0.5255(4) 0.068(3) Uani 1 1 d . U . . .
H71 H 0.6689 1.0150 0.5430 0.082 Uiso 1 1 calc R U . . .
C72 C 0.6944(4) 1.0213(4) 0.4926(4) 0.077(3) Uani 1 1 d . U . . .
C73 C 0.7158(4) 1.0022(4) 0.4667(4) 0.071(3) Uani 1 1 d . U . . .
H73 H 0.7232 1.0149 0.4448 0.085 Uiso 1 1 calc R U . . .
C74 C 0.7272(3) 0.9643(3) 0.4713(3) 0.060(2) Uani 1 1 d . U . . .
C75 C 0.7170(3) 0.9466(3) 0.5055(3) 0.055(2) Uani 1 1 d . U . . .
C76 C 0.6813(5) 1.0623(4) 0.4861(5) 0.117(6) Uani 1 1 d . U . . .
H76A H 0.6716 1.0725 0.5093 0.176 Uiso 1 1 calc R U . . .
H76B H 0.6617 1.0626 0.4672 0.176 Uiso 1 1 calc R U . . .
H76C H 0.7023 1.0773 0.4776 0.176 Uiso 1 1 calc R U . . .
C77 C 0.7470(4) 0.9451(4) 0.4421(4) 0.066(2) Uani 1 1 d . U . . .
H77 H 0.7566 0.9603 0.4229 0.079 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O2 2.300(7) . ?
Dy1 O3 2.304(7) . ?
Dy1 O8 2.310(7) . ?
Dy1 O1 2.319(7) . ?
Dy1 O4 2.336(7) . ?
Dy1 O9 2.370(7) . ?
Dy1 O10 2.449(8) . ?
Dy1 O7 2.480(8) . ?
Dy1 Dy2 3.9031(9) . ?
Dy2 O6 2.275(8) . ?
Dy2 O5 2.287(8) . ?
Dy2 O8 2.297(7) . ?
Dy2 O9 2.305(7) . ?
Dy2 N2 2.575(9) . ?
Dy2 N1 2.585(9) . ?
Dy2 N4 2.590(11) . ?
Dy2 N3 2.616(9) . ?
O1 C7 1.272(14) . ?
O2 C9 1.271(13) . ?
O3 C22 1.261(12) . ?
O4 C24 1.283(13) . ?
O5 C37 1.275(15) . ?
O6 C39 1.256(15) . ?
O7 C46 1.240(13) . ?
O8 C52 1.359(12) . ?
O9 C75 1.359(12) . ?
O10 C77 1.216(13) . ?
N1 C56 1.325(15) . ?
N1 C60 1.334(14) . ?
N2 C54 1.474(15) . ?
N2 C61 1.504(13) . ?
N2 C55 1.510(14) . ?
N3 C62 1.469(15) . ?
N3 C63 1.491(15) . ?
N3 C69 1.502(14) . ?
N4 C68 1.354(16) . ?
N4 C64 1.363(16) . ?
C1 C6 1.368(8) . ?
C1 C2 1.368(8) . ?
C1 H1 0.9300 . ?
C2 C3 1.360(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.366(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.375(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.367(8) . ?
C5 H5 0.9300 . ?
C6 C7 1.492(15) . ?
C7 C8 1.386(17) . ?
C8 C9 1.389(16) . ?
C8 H8 0.9300 . ?
C9 C10 1.510(16) . ?
C10 C15 1.368(18) . ?
C10 C11 1.384(17) . ?
C11 C12 1.396(19) . ?
C11 H11 0.9300 . ?
C12 C13 1.38(2) . ?
C12 H12 0.9300 . ?
C13 C14 1.349(19) . ?
C13 H13 0.9300 . ?
C14 C15 1.399(17) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C21 1.351(16) . ?
C16 C17 1.397(16) . ?
C16 H16 0.9300 . ?
C17 C18 1.372(17) . ?
C17 H17 0.9300 . ?
C18 C19 1.353(19) . ?
C18 H18 0.9300 . ?
C19 C20 1.420(17) . ?
C19 H19 0.9300 . ?
C20 C21 1.366(16) . ?
C20 H20 0.9300 . ?
C21 C22 1.515(15) . ?
C22 C23 1.370(15) . ?
C23 C24 1.411(16) . ?
C23 H23 0.9300 . ?
C24 C25 1.477(16) . ?
C25 C26 1.395(17) . ?
C25 C30 1.399(17) . ?
C26 C27 1.394(18) . ?
C26 H26 0.9300 . ?
C27 C28 1.37(2) . ?
C27 H27 0.9300 . ?
C28 C29 1.34(2) . ?
C28 H28 0.9300 . ?
C29 C30 1.382(17) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C36 1.35(2) . ?
C31 C32 1.38(2) . ?
C31 H31 0.9300 . ?
C32 C33 1.41(2) . ?
C32 H32 0.9300 . ?
C33 C34 1.29(2) . ?
C33 H33 0.9300 . ?
C34 C35 1.42(2) . ?
C34 H34 0.9300 . ?
C35 C36 1.377(19) . ?
C35 H35 0.9300 . ?
C36 C37 1.483(18) . ?
C37 C38 1.385(18) . ?
C38 C39 1.379(18) . ?
C38 H38 0.9300 . ?
C39 C40 1.475(19) . ?
C40 C45 1.34(2) . ?
C40 C41 1.42(2) . ?
C41 C42 1.48(2) . ?
C41 H41 0.9300 . ?
C42 C43 1.30(3) . ?
C42 H42 0.9300 . ?
C43 C44 1.29(2) . ?
C43 H43 0.9300 . ?
C44 C45 1.42(2) . ?
C44 H44 0.9300 . ?
C45 H45 0.9300 . ?
C46 C47 1.450(16) . ?
C46 H46 0.9300 . ?
C47 C52 1.379(15) . ?
C47 C48 1.380(15) . ?
C48 C49 1.385(16) . ?
C48 H48 0.9300 . ?
C49 C50 1.397(16) . ?
C49 C53 1.519(16) . ?
C50 C51 1.407(15) . ?
C50 H50 0.9300 . ?
C51 C52 1.394(15) . ?
C51 C54 1.521(15) . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C55 C56 1.513(16) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 C57 1.364(17) . ?
C57 C58 1.396(19) . ?
C57 H57 0.9300 . ?
C58 C59 1.367(19) . ?
C58 H58 0.9300 . ?
C59 C60 1.337(17) . ?
C59 H59 0.9300 . ?
C60 H60 0.9300 . ?
C61 C62 1.505(16) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C63 C64 1.537(17) . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C64 C65 1.332(18) . ?
C65 C66 1.356(19) . ?
C65 H65 0.9300 . ?
C66 C67 1.39(2) . ?
C66 H66 0.9300 . ?
C67 C68 1.389(18) . ?
C67 H67 0.9300 . ?
C68 H68 0.9300 . ?
C69 C70 1.476(16) . ?
C69 H69A 0.9700 . ?
C69 H69B 0.9700 . ?
C70 C75 1.389(15) . ?
C70 C71 1.419(16) . ?
C71 C72 1.383(18) . ?
C71 H71 0.9300 . ?
C72 C73 1.363(18) . ?
C72 C76 1.538(18) . ?
C73 C74 1.406(16) . ?
C73 H73 0.9300 . ?
C74 C75 1.406(16) . ?
C74 C77 1.417(16) . ?
C76 H76A 0.9600 . ?
C76 H76B 0.9600 . ?
C76 H76C 0.9600 . ?
C77 H77 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Dy1 O3 114.7(3) . . ?
O2 Dy1 O8 142.9(3) . . ?
O3 Dy1 O8 82.4(3) . . ?
O2 Dy1 O1 73.3(3) . . ?
O3 Dy1 O1 73.6(3) . . ?
O8 Dy1 O1 81.5(3) . . ?
O2 Dy1 O4 79.5(3) . . ?
O3 Dy1 O4 73.0(3) . . ?
O8 Dy1 O4 137.5(2) . . ?
O1 Dy1 O4 121.9(3) . . ?
O2 Dy1 O9 146.4(3) . . ?
O3 Dy1 O9 83.4(3) . . ?
O8 Dy1 O9 63.5(2) . . ?
O1 Dy1 O9 140.3(3) . . ?
O4 Dy1 O9 79.4(2) . . ?
O2 Dy1 O10 81.2(3) . . ?
O3 Dy1 O10 144.3(3) . . ?
O8 Dy1 O10 104.2(3) . . ?
O1 Dy1 O10 141.6(3) . . ?
O4 Dy1 O10 79.5(3) . . ?
O9 Dy1 O10 69.4(3) . . ?
O2 Dy1 O7 77.9(3) . . ?
O3 Dy1 O7 140.4(3) . . ?
O8 Dy1 O7 69.5(2) . . ?
O1 Dy1 O7 75.0(3) . . ?
O4 Dy1 O7 145.8(3) . . ?
O9 Dy1 O7 106.8(3) . . ?
O10 Dy1 O7 71.9(3) . . ?
O2 Dy1 Dy2 156.6(2) . . ?
O3 Dy1 Dy2 88.5(2) . . ?
O8 Dy1 Dy2 31.98(17) . . ?
O1 Dy1 Dy2 113.2(2) . . ?
O4 Dy1 Dy2 111.90(18) . . ?
O9 Dy1 Dy2 32.87(16) . . ?
O10 Dy1 Dy2 81.0(2) . . ?
O7 Dy1 Dy2 82.17(19) . . ?
O6 Dy2 O5 72.7(3) . . ?
O6 Dy2 O8 133.2(3) . . ?
O5 Dy2 O8 83.4(3) . . ?
O6 Dy2 O9 80.5(3) . . ?
O5 Dy2 O9 100.4(3) . . ?
O8 Dy2 O9 64.8(2) . . ?
O6 Dy2 N2 149.3(3) . . ?
O5 Dy2 N2 133.8(3) . . ?
O8 Dy2 N2 73.2(3) . . ?
O9 Dy2 N2 104.4(3) . . ?
O6 Dy2 N1 122.2(3) . . ?
O5 Dy2 N1 76.4(3) . . ?
O8 Dy2 N1 88.7(3) . . ?
O9 Dy2 N1 153.5(3) . . ?
N2 Dy2 N1 64.0(3) . . ?
O6 Dy2 N4 69.3(3) . . ?
O5 Dy2 N4 104.7(3) . . ?
O8 Dy2 N4 157.3(3) . . ?
O9 Dy2 N4 132.0(3) . . ?
N2 Dy2 N4 86.5(3) . . ?
N1 Dy2 N4 73.1(3) . . ?
O6 Dy2 N3 81.1(3) . . ?
O5 Dy2 N3 153.8(3) . . ?
O8 Dy2 N3 116.2(3) . . ?
O9 Dy2 N3 75.3(3) . . ?
N2 Dy2 N3 71.3(3) . . ?
N1 Dy2 N3 118.8(3) . . ?
N4 Dy2 N3 64.2(3) . . ?
O6 Dy2 Dy1 104.7(2) . . ?
O5 Dy2 Dy1 85.2(2) . . ?
O8 Dy2 Dy1 32.19(16) . . ?
O9 Dy2 Dy1 33.92(17) . . ?
N2 Dy2 Dy1 94.2(2) . . ?
N1 Dy2 Dy1 120.1(2) . . ?
N4 Dy2 Dy1 165.5(2) . . ?
N3 Dy2 Dy1 102.3(2) . . ?
C7 O1 Dy1 133.8(8) . . ?
C9 O2 Dy1 132.1(8) . . ?
C22 O3 Dy1 135.1(7) . . ?
C24 O4 Dy1 134.3(7) . . ?
C37 O5 Dy2 136.5(9) . . ?
C39 O6 Dy2 134.3(9) . . ?
C46 O7 Dy1 128.6(7) . . ?
C52 O8 Dy2 116.0(7) . . ?
C52 O8 Dy1 125.9(7) . . ?
Dy2 O8 Dy1 115.8(3) . . ?
C75 O9 Dy2 117.5(6) . . ?
C75 O9 Dy1 125.9(6) . . ?
Dy2 O9 Dy1 113.2(3) . . ?
C77 O10 Dy1 128.9(8) . . ?
C56 N1 C60 116.0(11) . . ?
C56 N1 Dy2 117.9(8) . . ?
C60 N1 Dy2 126.1(8) . . ?
C54 N2 C61 107.9(9) . . ?
C54 N2 C55 109.4(9) . . ?
C61 N2 C55 108.7(9) . . ?
C54 N2 Dy2 115.7(7) . . ?
C61 N2 Dy2 106.9(6) . . ?
C55 N2 Dy2 108.1(7) . . ?
C62 N3 C63 110.4(9) . . ?
C62 N3 C69 108.6(9) . . ?
C63 N3 C69 106.5(9) . . ?
C62 N3 Dy2 108.8(6) . . ?
C63 N3 Dy2 109.8(7) . . ?
C69 N3 Dy2 112.7(6) . . ?
C68 N4 C64 114.2(12) . . ?
C68 N4 Dy2 124.3(9) . . ?
C64 N4 Dy2 117.9(8) . . ?
C6 C1 C2 120.3(7) . . ?
C6 C1 H1 119.8 . . ?
C2 C1 H1 119.8 . . ?
C3 C2 C1 119.8(7) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C2 C3 C4 119.9(7) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C3 C4 C5 119.8(7) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 120.0(7) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C1 119.4(7) . . ?
C5 C6 C7 120.5(10) . . ?
C1 C6 C7 119.7(10) . . ?
O1 C7 C8 121.8(12) . . ?
O1 C7 C6 115.5(12) . . ?
C8 C7 C6 122.7(12) . . ?
C7 C8 C9 126.0(12) . . ?
C7 C8 H8 117.0 . . ?
C9 C8 H8 117.0 . . ?
O2 C9 C8 125.1(11) . . ?
O2 C9 C10 116.7(11) . . ?
C8 C9 C10 118.2(11) . . ?
C15 C10 C11 120.3(12) . . ?
C15 C10 C9 119.2(11) . . ?
C11 C10 C9 120.3(13) . . ?
C10 C11 C12 118.8(15) . . ?
C10 C11 H11 120.6 . . ?
C12 C11 H11 120.6 . . ?
C13 C12 C11 120.7(15) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C14 C13 C12 119.6(15) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C13 C14 C15 120.8(16) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 H14 119.6 . . ?
C10 C15 C14 119.7(13) . . ?
C10 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C21 C16 C17 121.1(12) . . ?
C21 C16 H16 119.5 . . ?
C17 C16 H16 119.5 . . ?
C18 C17 C16 117.8(13) . . ?
C18 C17 H17 121.1 . . ?
C16 C17 H17 121.1 . . ?
C19 C18 C17 122.8(13) . . ?
C19 C18 H18 118.6 . . ?
C17 C18 H18 118.6 . . ?
C18 C19 C20 118.0(12) . . ?
C18 C19 H19 121.0 . . ?
C20 C19 H19 121.0 . . ?
C21 C20 C19 119.8(12) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C16 C21 C20 120.4(11) . . ?
C16 C21 C22 117.5(10) . . ?
C20 C21 C22 122.0(11) . . ?
O3 C22 C23 125.0(10) . . ?
O3 C22 C21 114.2(10) . . ?
C23 C22 C21 120.7(10) . . ?
C22 C23 C24 125.2(11) . . ?
C22 C23 H23 117.4 . . ?
C24 C23 H23 117.4 . . ?
O4 C24 C23 122.9(11) . . ?
O4 C24 C25 117.1(11) . . ?
C23 C24 C25 120.0(11) . . ?
C26 C25 C30 117.6(12) . . ?
C26 C25 C24 122.9(12) . . ?
C30 C25 C24 119.5(11) . . ?
C27 C26 C25 120.3(14) . . ?
C27 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C28 C27 C26 119.5(14) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C29 C28 C27 121.6(14) . . ?
C29 C28 H28 119.2 . . ?
C27 C28 H28 119.2 . . ?
C28 C29 C30 119.7(15) . . ?
C28 C29 H29 120.2 . . ?
C30 C29 H29 120.2 . . ?
C29 C30 C25 121.3(13) . . ?
C29 C30 H30 119.4 . . ?
C25 C30 H30 119.4 . . ?
C36 C31 C32 124.7(16) . . ?
C36 C31 H31 117.6 . . ?
C32 C31 H31 117.6 . . ?
C31 C32 C33 114.1(17) . . ?
C31 C32 H32 123.0 . . ?
C33 C32 H32 123.0 . . ?
C34 C33 C32 124.2(17) . . ?
C34 C33 H33 117.9 . . ?
C32 C33 H33 117.9 . . ?
C33 C34 C35 119.1(17) . . ?
C33 C34 H34 120.5 . . ?
C35 C34 H34 120.5 . . ?
C36 C35 C34 119.9(17) . . ?
C36 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
C31 C36 C35 117.7(15) . . ?
C31 C36 C37 121.0(13) . . ?
C35 C36 C37 121.2(15) . . ?
O5 C37 C38 122.0(13) . . ?
O5 C37 C36 115.2(13) . . ?
C38 C37 C36 122.7(13) . . ?
C39 C38 C37 125.3(14) . . ?
C39 C38 H38 117.4 . . ?
C37 C38 H38 117.4 . . ?
O6 C39 C38 123.1(13) . . ?
O6 C39 C40 116.1(13) . . ?
C38 C39 C40 120.8(14) . . ?
C45 C40 C41 118.3(17) . . ?
C45 C40 C39 120.3(16) . . ?
C41 C40 C39 121.4(16) . . ?
C40 C41 C42 117.3(18) . . ?
C40 C41 H41 121.3 . . ?
C42 C41 H41 121.3 . . ?
C43 C42 C41 118(2) . . ?
C43 C42 H42 120.9 . . ?
C41 C42 H42 120.9 . . ?
C44 C43 C42 125(2) . . ?
C44 C43 H43 117.4 . . ?
C42 C43 H43 117.4 . . ?
C43 C44 C45 119(2) . . ?
C43 C44 H44 120.4 . . ?
C45 C44 H44 120.4 . . ?
C40 C45 C44 121.3(19) . . ?
C40 C45 H45 119.3 . . ?
C44 C45 H45 119.3 . . ?
O7 C46 C47 126.9(11) . . ?
O7 C46 H46 116.5 . . ?
C47 C46 H46 116.5 . . ?
C52 C47 C48 120.3(11) . . ?
C52 C47 C46 121.2(10) . . ?
C48 C47 C46 118.4(11) . . ?
C47 C48 C49 121.0(11) . . ?
C47 C48 H48 119.5 . . ?
C49 C48 H48 119.5 . . ?
C48 C49 C50 118.8(11) . . ?
C48 C49 C53 121.1(12) . . ?
C50 C49 C53 120.1(12) . . ?
C49 C50 C51 120.6(11) . . ?
C49 C50 H50 119.7 . . ?
C51 C50 H50 119.7 . . ?
C52 C51 C50 118.7(11) . . ?
C52 C51 C54 117.2(10) . . ?
C50 C51 C54 124.0(11) . . ?
O8 C52 C47 122.5(10) . . ?
O8 C52 C51 117.2(10) . . ?
C47 C52 C51 120.4(10) . . ?
C49 C53 H53A 109.5 . . ?
C49 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C49 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
N2 C54 C51 116.5(10) . . ?
N2 C54 H54A 108.2 . . ?
C51 C54 H54A 108.2 . . ?
N2 C54 H54B 108.2 . . ?
C51 C54 H54B 108.2 . . ?
H54A C54 H54B 107.3 . . ?
N2 C55 C56 108.5(10) . . ?
N2 C55 H55A 110.0 . . ?
C56 C55 H55A 110.0 . . ?
N2 C55 H55B 110.0 . . ?
C56 C55 H55B 110.0 . . ?
H55A C55 H55B 108.4 . . ?
N1 C56 C57 125.1(12) . . ?
N1 C56 C55 117.5(10) . . ?
C57 C56 C55 117.3(12) . . ?
C56 C57 C58 115.9(14) . . ?
C56 C57 H57 122.1 . . ?
C58 C57 H57 122.1 . . ?
C59 C58 C57 120.0(13) . . ?
C59 C58 H58 120.0 . . ?
C57 C58 H58 120.0 . . ?
C60 C59 C58 118.1(14) . . ?
C60 C59 H59 120.9 . . ?
C58 C59 H59 120.9 . . ?
N1 C60 C59 124.7(13) . . ?
N1 C60 H60 117.6 . . ?
C59 C60 H60 117.6 . . ?
N2 C61 C62 113.5(10) . . ?
N2 C61 H61A 108.9 . . ?
C62 C61 H61A 108.9 . . ?
N2 C61 H61B 108.9 . . ?
C62 C61 H61B 108.9 . . ?
H61A C61 H61B 107.7 . . ?
N3 C62 C61 113.2(9) . . ?
N3 C62 H62A 108.9 . . ?
C61 C62 H62A 108.9 . . ?
N3 C62 H62B 108.9 . . ?
C61 C62 H62B 108.9 . . ?
H62A C62 H62B 107.8 . . ?
N3 C63 C64 113.5(10) . . ?
N3 C63 H63A 108.9 . . ?
C64 C63 H63A 108.9 . . ?
N3 C63 H63B 108.9 . . ?
C64 C63 H63B 108.9 . . ?
H63A C63 H63B 107.7 . . ?
C65 C64 N4 126.4(13) . . ?
C65 C64 C63 117.1(13) . . ?
N4 C64 C63 116.2(11) . . ?
C64 C65 C66 119.9(15) . . ?
C64 C65 H65 120.0 . . ?
C66 C65 H65 120.0 . . ?
C65 C66 C67 116.4(15) . . ?
C65 C66 H66 121.8 . . ?
C67 C66 H66 121.8 . . ?
C68 C67 C66 121.2(14) . . ?
C68 C67 H67 119.4 . . ?
C66 C67 H67 119.4 . . ?
N4 C68 C67 121.6(14) . . ?
N4 C68 H68 119.2 . . ?
C67 C68 H68 119.2 . . ?
C70 C69 N3 114.0(10) . . ?
C70 C69 H69A 108.8 . . ?
N3 C69 H69A 108.8 . . ?
C70 C69 H69B 108.8 . . ?
N3 C69 H69B 108.8 . . ?
H69A C69 H69B 107.7 . . ?
C75 C70 C71 117.2(12) . . ?
C75 C70 C69 118.9(10) . . ?
C71 C70 C69 123.9(11) . . ?
C72 C71 C70 122.2(12) . . ?
C72 C71 H71 118.9 . . ?
C70 C71 H71 118.9 . . ?
C73 C72 C71 118.1(12) . . ?
C73 C72 C76 122.1(14) . . ?
C71 C72 C76 119.8(14) . . ?
C72 C73 C74 123.4(13) . . ?
C72 C73 H73 118.3 . . ?
C74 C73 H73 118.3 . . ?
C75 C74 C73 116.7(11) . . ?
C75 C74 C77 122.5(11) . . ?
C73 C74 C77 120.8(12) . . ?
O9 C75 C70 118.1(10) . . ?
O9 C75 C74 119.6(10) . . ?
C70 C75 C74 122.3(11) . . ?
C72 C76 H76A 109.5 . . ?
C72 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C72 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
O10 C77 C74 128.9(12) . . ?
O10 C77 H77 115.6 . . ?
C74 C77 H77 115.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 8(3) . . . . ?
C1 C2 C3 C4 -9(3) . . . . ?
C2 C3 C4 C5 9(4) . . . . ?
C3 C4 C5 C6 -6(3) . . . . ?
C4 C5 C6 C1 5(3) . . . . ?
C4 C5 C6 C7 176.9(18) . . . . ?
C2 C1 C6 C5 -5(3) . . . . ?
C2 C1 C6 C7 -177.8(16) . . . . ?
Dy1 O1 C7 C8 -24(2) . . . . ?
Dy1 O1 C7 C6 155.0(10) . . . . ?
C5 C6 C7 O1 -171.9(16) . . . . ?
C1 C6 C7 O1 0(2) . . . . ?
C5 C6 C7 C8 7(3) . . . . ?
C1 C6 C7 C8 178.9(15) . . . . ?
O1 C7 C8 C9 0(2) . . . . ?
C6 C7 C8 C9 -178.4(14) . . . . ?
Dy1 O2 C9 C8 20.3(19) . . . . ?
Dy1 O2 C9 C10 -161.0(8) . . . . ?
C7 C8 C9 O2 1(2) . . . . ?
C7 C8 C9 C10 -177.4(13) . . . . ?
O2 C9 C10 C15 -26.6(18) . . . . ?
C8 C9 C10 C15 152.3(13) . . . . ?
O2 C9 C10 C11 148.7(13) . . . . ?
C8 C9 C10 C11 -32.5(19) . . . . ?
C15 C10 C11 C12 1(2) . . . . ?
C9 C10 C11 C12 -174.6(12) . . . . ?
C10 C11 C12 C13 -3(2) . . . . ?
C11 C12 C13 C14 3(2) . . . . ?
C12 C13 C14 C15 -1(2) . . . . ?
C11 C10 C15 C14 2(2) . . . . ?
C9 C10 C15 C14 177.4(12) . . . . ?
C13 C14 C15 C10 -2(2) . . . . ?
C21 C16 C17 C18 -2(2) . . . . ?
C16 C17 C18 C19 1(2) . . . . ?
C17 C18 C19 C20 0(2) . . . . ?
C18 C19 C20 C21 1(2) . . . . ?
C17 C16 C21 C20 3(2) . . . . ?
C17 C16 C21 C22 -179.6(12) . . . . ?
C19 C20 C21 C16 -2(2) . . . . ?
C19 C20 C21 C22 -179.5(12) . . . . ?
Dy1 O3 C22 C23 17.5(18) . . . . ?
Dy1 O3 C22 C21 -165.1(7) . . . . ?
C16 C21 C22 O3 -16.9(16) . . . . ?
C20 C21 C22 O3 160.8(12) . . . . ?
C16 C21 C22 C23 160.6(12) . . . . ?
C20 C21 C22 C23 -21.7(18) . . . . ?
O3 C22 C23 C24 -0.2(19) . . . . ?
C21 C22 C23 C24 -177.4(11) . . . . ?
Dy1 O4 C24 C23 -16.6(17) . . . . ?
Dy1 O4 C24 C25 162.9(8) . . . . ?
C22 C23 C24 O4 0.0(19) . . . . ?
C22 C23 C24 C25 -179.5(11) . . . . ?
O4 C24 C25 C26 160.5(12) . . . . ?
C23 C24 C25 C26 -19.9(18) . . . . ?
O4 C24 C25 C30 -19.5(17) . . . . ?
C23 C24 C25 C30 160.0(12) . . . . ?
C30 C25 C26 C27 -4(2) . . . . ?
C24 C25 C26 C27 176.2(12) . . . . ?
C25 C26 C27 C28 1(2) . . . . ?
C26 C27 C28 C29 1(2) . . . . ?
C27 C28 C29 C30 0(2) . . . . ?
C28 C29 C30 C25 -3(2) . . . . ?
C26 C25 C30 C29 5(2) . . . . ?
C24 C25 C30 C29 -175.4(12) . . . . ?
C36 C31 C32 C33 0(3) . . . . ?
C31 C32 C33 C34 -4(3) . . . . ?
C32 C33 C34 C35 7(3) . . . . ?
C33 C34 C35 C36 -5(3) . . . . ?
C32 C31 C36 C35 1(3) . . . . ?
C32 C31 C36 C37 -175.5(16) . . . . ?
C34 C35 C36 C31 1(3) . . . . ?
C34 C35 C36 C37 178.0(16) . . . . ?
Dy2 O5 C37 C38 0(2) . . . . ?
Dy2 O5 C37 C36 176.2(9) . . . . ?
C31 C36 C37 O5 -10(2) . . . . ?
C35 C36 C37 O5 173.7(14) . . . . ?
C31 C36 C37 C38 166.3(16) . . . . ?
C35 C36 C37 C38 -10(2) . . . . ?
O5 C37 C38 C39 -11(3) . . . . ?
C36 C37 C38 C39 172.8(14) . . . . ?
Dy2 O6 C39 C38 29(2) . . . . ?
Dy2 O6 C39 C40 -148.0(11) . . . . ?
C37 C38 C39 O6 -2(3) . . . . ?
C37 C38 C39 C40 174.1(15) . . . . ?
O6 C39 C40 C45 -31(2) . . . . ?
C38 C39 C40 C45 152.6(17) . . . . ?
O6 C39 C40 C41 148.7(15) . . . . ?
C38 C39 C40 C41 -28(2) . . . . ?
C45 C40 C41 C42 7(3) . . . . ?
C39 C40 C41 C42 -172.0(15) . . . . ?
C40 C41 C42 C43 -3(3) . . . . ?
C41 C42 C43 C44 -4(4) . . . . ?
C42 C43 C44 C45 7(4) . . . . ?
C41 C40 C45 C44 -5(3) . . . . ?
C39 C40 C45 C44 174.4(15) . . . . ?
C43 C44 C45 C40 -2(3) . . . . ?
Dy1 O7 C46 C47 -15.7(19) . . . . ?
O7 C46 C47 C52 -11(2) . . . . ?
O7 C46 C47 C48 166.8(13) . . . . ?
C52 C47 C48 C49 2(2) . . . . ?
C46 C47 C48 C49 -175.2(12) . . . . ?
C47 C48 C49 C50 -1(2) . . . . ?
C47 C48 C49 C53 178.9(13) . . . . ?
C48 C49 C50 C51 2(2) . . . . ?
C53 C49 C50 C51 -178.4(13) . . . . ?
C49 C50 C51 C52 -3(2) . . . . ?
C49 C50 C51 C54 175.1(12) . . . . ?
Dy2 O8 C52 C47 -109.1(11) . . . . ?
Dy1 O8 C52 C47 52.9(14) . . . . ?
Dy2 O8 C52 C51 70.7(12) . . . . ?
Dy1 O8 C52 C51 -127.3(10) . . . . ?
C48 C47 C52 O8 175.8(11) . . . . ?
C46 C47 C52 O8 -6.7(19) . . . . ?
C48 C47 C52 C51 -4.1(19) . . . . ?
C46 C47 C52 C51 173.4(12) . . . . ?
C50 C51 C52 O8 -175.3(11) . . . . ?
C54 C51 C52 O8 6.1(17) . . . . ?
C50 C51 C52 C47 4.5(19) . . . . ?
C54 C51 C52 C47 -174.0(11) . . . . ?
C61 N2 C54 C51 159.9(10) . . . . ?
C55 N2 C54 C51 -82.1(12) . . . . ?
Dy2 N2 C54 C51 40.3(12) . . . . ?
C52 C51 C54 N2 -65.3(15) . . . . ?
C50 C51 C54 N2 116.3(13) . . . . ?
C54 N2 C55 C56 73.5(12) . . . . ?
C61 N2 C55 C56 -169.0(10) . . . . ?
Dy2 N2 C55 C56 -53.4(11) . . . . ?
C60 N1 C56 C57 3(2) . . . . ?
Dy2 N1 C56 C57 -175.6(12) . . . . ?
C60 N1 C56 C55 179.0(12) . . . . ?
Dy2 N1 C56 C55 0.4(16) . . . . ?
N2 C55 C56 N1 36.2(17) . . . . ?
N2 C55 C56 C57 -147.4(13) . . . . ?
N1 C56 C57 C58 -6(2) . . . . ?
C55 C56 C57 C58 178.4(14) . . . . ?
C56 C57 C58 C59 4(2) . . . . ?
C57 C58 C59 C60 -1(3) . . . . ?
C56 N1 C60 C59 1(2) . . . . ?
Dy2 N1 C60 C59 179.5(12) . . . . ?
C58 C59 C60 N1 -2(3) . . . . ?
C54 N2 C61 C62 -172.2(10) . . . . ?
C55 N2 C61 C62 69.3(12) . . . . ?
Dy2 N2 C61 C62 -47.1(11) . . . . ?
C63 N3 C62 C61 -159.3(9) . . . . ?
C69 N3 C62 C61 84.3(11) . . . . ?
Dy2 N3 C62 C61 -38.8(11) . . . . ?
N2 C61 C62 N3 61.7(13) . . . . ?
C62 N3 C63 C64 77.4(13) . . . . ?
C69 N3 C63 C64 -164.8(11) . . . . ?
Dy2 N3 C63 C64 -42.6(12) . . . . ?
C68 N4 C64 C65 3(2) . . . . ?
Dy2 N4 C64 C65 -156.8(14) . . . . ?
C68 N4 C64 C63 177.0(12) . . . . ?
Dy2 N4 C64 C63 17.5(16) . . . . ?
N3 C63 C64 C65 -167.2(13) . . . . ?
N3 C63 C64 N4 18.0(18) . . . . ?
N4 C64 C65 C66 0(3) . . . . ?
C63 C64 C65 C66 -174.6(15) . . . . ?
C64 C65 C66 C67 -4(3) . . . . ?
C65 C66 C67 C68 7(3) . . . . ?
C64 N4 C68 C67 0(2) . . . . ?
Dy2 N4 C68 C67 157.9(12) . . . . ?
C66 C67 C68 N4 -5(3) . . . . ?
C62 N3 C69 C70 -174.3(9) . . . . ?
C63 N3 C69 C70 66.8(12) . . . . ?
Dy2 N3 C69 C70 -53.6(11) . . . . ?
N3 C69 C70 C75 68.8(14) . . . . ?
N3 C69 C70 C71 -111.9(13) . . . . ?
C75 C70 C71 C72 -4.0(19) . . . . ?
C69 C70 C71 C72 176.7(13) . . . . ?
C70 C71 C72 C73 2(2) . . . . ?
C70 C71 C72 C76 -178.5(13) . . . . ?
C71 C72 C73 C74 1(2) . . . . ?
C76 C72 C73 C74 -177.9(13) . . . . ?
C72 C73 C74 C75 -3(2) . . . . ?
C72 C73 C74 C77 175.3(13) . . . . ?
Dy2 O9 C75 C70 -70.3(12) . . . . ?
Dy1 O9 C75 C70 132.0(9) . . . . ?
Dy2 O9 C75 C74 106.8(10) . . . . ?
Dy1 O9 C75 C74 -50.8(14) . . . . ?
C71 C70 C75 O9 179.3(10) . . . . ?
C69 C70 C75 O9 -1.3(17) . . . . ?
C71 C70 C75 C74 2.3(18) . . . . ?
C69 C70 C75 C74 -178.4(11) . . . . ?
C73 C74 C75 O9 -176.0(11) . . . . ?
C77 C74 C75 O9 5.8(18) . . . . ?
C73 C74 C75 C70 1.0(18) . . . . ?
C77 C74 C75 C70 -177.2(12) . . . . ?
Dy1 O10 C77 C74 15(2) . . . . ?
C75 C74 C77 O10 12(2) . . . . ?
C73 C74 C77 O10 -166.2(13) . . . . ?

_refine_diff_density_max         0.626
_refine_diff_density_min         -1.140
_refine_diff_density_rms         0.096



