# 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_exp_8454
_database_code_depnum_ccdc_archive 'CCDC 2079702'
loop_
_audit_author_name
_audit_author_address
'sheng zhang'
;Baoji University of Arts and Sciences
China
;
_audit_update_record             
;
2021-04-23 deposited with the CCDC.	2021-04-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C45 H36 Dy F9 N2 O6'
_chemical_formula_weight         1034.26

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'
F F 0.0727 0.0534 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/n

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

_cell_length_a                   11.4747(7)
_cell_length_b                   26.5116(14)
_cell_length_c                   15.3274(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.836(6)
_cell_angle_gamma                90.00
_cell_volume                     4527.5(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2016
_cell_measurement_theta_min      3.3910
_cell_measurement_theta_max      48.2010

_exptl_crystal_description       block
_exptl_crystal_colour            white
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2060
_exptl_absorpt_coefficient_mu    9.579
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5145
_exptl_absorpt_correction_T_max  0.5536
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15990
_diffrn_reflns_av_R_equivalents  0.0956
_diffrn_reflns_av_sigmaI/netI    0.1614
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.33
_diffrn_reflns_theta_max         67.25
_reflns_number_total             8107
_reflns_number_gt                3375
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1036P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00091(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         8107
_refine_ls_number_parameters     574
_refine_ls_number_restraints     1704
_refine_ls_R_factor_all          0.1743
_refine_ls_R_factor_gt           0.0880
_refine_ls_wR_factor_ref         0.2830
_refine_ls_wR_factor_gt          0.1966
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_restrained_S_all      0.959
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.71356(7) 0.31591(3) 0.31462(5) 0.0650(3) Uani 1 1 d U . .
F1 F 0.4767(9) 0.1344(4) 0.3558(8) 0.145(4) Uani 1 1 d U . .
F2 F 0.4261(9) 0.2060(4) 0.3939(7) 0.126(3) Uani 1 1 d U . .
F3 F 0.3729(8) 0.1819(3) 0.2623(8) 0.122(3) Uani 1 1 d U . .
F4 F 0.8885(8) 0.4007(4) 0.0291(7) 0.129(3) Uani 1 1 d U . .
F5 F 0.9710(8) 0.3366(4) 0.0948(7) 0.125(3) Uani 1 1 d U . .
F6 F 0.9867(9) 0.4047(4) 0.1627(8) 0.142(3) Uani 1 1 d U . .
F7 F 0.4266(11) 0.3845(5) 0.4812(9) 0.171(4) Uani 1 1 d U . .
F8 F 0.3445(10) 0.4033(5) 0.3537(9) 0.167(4) Uani 1 1 d U . .
F9 F 0.4224(9) 0.4600(4) 0.4433(9) 0.166(4) Uani 1 1 d U . .
N1 N 0.7353(9) 0.2841(4) 0.4726(7) 0.071(2) Uani 1 1 d U . .
N2 N 0.9246(9) 0.3081(4) 0.4119(7) 0.068(2) Uani 1 1 d U . .
O1 O 0.5681(7) 0.2533(3) 0.3027(6) 0.075(2) Uani 1 1 d U . .
O2 O 0.7968(8) 0.2401(3) 0.2827(6) 0.079(2) Uani 1 1 d U . .
O3 O 0.8231(8) 0.3348(3) 0.2077(6) 0.076(2) Uani 1 1 d U . .
O4 O 0.5801(8) 0.3455(4) 0.1865(7) 0.086(2) Uani 1 1 d U . .
O5 O 0.5674(8) 0.3592(3) 0.3672(6) 0.082(2) Uani 1 1 d U . .
O6 O 0.7772(8) 0.3984(3) 0.3422(6) 0.0773(19) Uani 1 1 d U . .
C1 C 0.4674(15) 0.1809(6) 0.3326(13) 0.092(4) Uani 1 1 d U . .
C2 C 0.5761(12) 0.2057(5) 0.3123(10) 0.076(3) Uani 1 1 d U . .
C3 C 0.6685(13) 0.1756(5) 0.3076(10) 0.087(3) Uani 1 1 d U . .
H3 H 0.6606 0.1412 0.3165 0.104 Uiso 1 1 calc R . .
C4 C 0.7780(13) 0.1931(5) 0.2897(11) 0.081(3) Uani 1 1 d U . .
C5 C 0.8751(14) 0.1578(6) 0.2820(11) 0.093(3) Uani 1 1 d U . .
C6 C 0.9876(14) 0.1759(6) 0.3015(12) 0.102(3) Uani 1 1 d U . .
H6 H 1.0027 0.2096 0.3164 0.122 Uiso 1 1 calc R . .
C7 C 1.0825(16) 0.1426(6) 0.2990(12) 0.116(4) Uani 1 1 d U . .
H7 H 1.1613 0.1539 0.3175 0.140 Uiso 1 1 calc R . .
C8 C 1.0613(16) 0.0950(7) 0.2704(13) 0.118(4) Uani 1 1 d U . .
C9 C 0.9464(14) 0.0764(6) 0.2496(12) 0.111(4) Uani 1 1 d U . .
H9 H 0.9314 0.0427 0.2336 0.134 Uiso 1 1 calc R . .
C10 C 0.8535(14) 0.1091(6) 0.2532(11) 0.101(3) Uani 1 1 d U . .
H10 H 0.7747 0.0977 0.2357 0.121 Uiso 1 1 calc R . .
C11 C 0.9095(14) 0.3761(6) 0.1060(11) 0.087(3) Uani 1 1 d U . .
C12 C 0.8016(13) 0.3638(6) 0.1419(10) 0.083(3) Uani 1 1 d U . .
C13 C 0.6926(12) 0.3864(5) 0.0983(10) 0.085(3) Uani 1 1 d U . .
H13 H 0.6917 0.4091 0.0518 0.102 Uiso 1 1 calc R . .
C14 C 0.5842(13) 0.3757(6) 0.1232(11) 0.088(3) Uani 1 1 d U . .
C15 C 0.4733(14) 0.4000(6) 0.0790(11) 0.092(3) Uani 1 1 d U . .
C16 C 0.4570(13) 0.4248(6) -0.0017(11) 0.103(3) Uani 1 1 d U . .
H16 H 0.5186 0.4252 -0.0317 0.124 Uiso 1 1 calc R . .
C17 C 0.3498(14) 0.4494(6) -0.0390(12) 0.110(4) Uani 1 1 d U . .
H17 H 0.3455 0.4690 -0.0899 0.132 Uiso 1 1 calc R . .
C18 C 0.2546(14) 0.4464(6) -0.0064(12) 0.105(4) Uani 1 1 d U . .
C19 C 0.2685(14) 0.4221(6) 0.0731(13) 0.115(4) Uani 1 1 d U . .
H19 H 0.2046 0.4212 0.1006 0.138 Uiso 1 1 calc R . .
C20 C 0.3745(13) 0.3985(6) 0.1146(11) 0.103(3) Uani 1 1 d U . .
H20 H 0.3790 0.3812 0.1681 0.124 Uiso 1 1 calc R . .
C21 C 0.1326(13) 0.4706(6) -0.0499(12) 0.136(6) Uani 1 1 d U . .
H21A H 0.1135 0.4955 -0.0101 0.205 Uiso 1 1 calc R . .
H21B H 0.0716 0.4451 -0.0613 0.205 Uiso 1 1 calc R . .
H21C H 0.1367 0.4863 -0.1056 0.205 Uiso 1 1 calc R . .
C22 C 0.4417(17) 0.4156(7) 0.4178(15) 0.106(4) Uani 1 1 d U . .
C23 C 0.5532(13) 0.4033(6) 0.3899(10) 0.087(3) Uani 1 1 d U . .
C24 C 0.6329(12) 0.4437(5) 0.3929(10) 0.090(3) Uani 1 1 d U . .
H24 H 0.6116 0.4750 0.4116 0.108 Uiso 1 1 calc R . .
C25 C 0.7423(13) 0.4393(5) 0.3694(10) 0.082(3) Uani 1 1 d U . .
C26 C 0.8289(13) 0.4827(5) 0.3778(10) 0.080(3) Uani 1 1 d U . .
C27 C 0.9148(13) 0.4805(5) 0.3297(10) 0.092(3) Uani 1 1 d U . .
H27 H 0.9177 0.4530 0.2925 0.111 Uiso 1 1 calc R . .
C28 C 0.9987(14) 0.5198(5) 0.3363(10) 0.096(3) Uani 1 1 d U . .
H28 H 1.0568 0.5184 0.3032 0.115 Uiso 1 1 calc R . .
C29 C 0.9950(14) 0.5610(5) 0.3925(10) 0.085(3) Uani 1 1 d U . .
C30 C 0.9079(14) 0.5627(5) 0.4368(10) 0.094(3) Uani 1 1 d U . .
H30 H 0.9037 0.5904 0.4730 0.113 Uiso 1 1 calc R . .
C31 C 0.8233(13) 0.5245(5) 0.4307(10) 0.090(3) Uani 1 1 d U . .
H31 H 0.7633 0.5270 0.4620 0.108 Uiso 1 1 calc R . .
C32 C 1.0880(14) 0.6020(5) 0.4029(10) 0.107(5) Uani 1 1 d U . .
H32A H 1.0495 0.6335 0.3829 0.160 Uiso 1 1 calc R . .
H32B H 1.1441 0.5939 0.3675 0.160 Uiso 1 1 calc R . .
H32C H 1.1298 0.6047 0.4650 0.160 Uiso 1 1 calc R . .
C33 C 0.6404(11) 0.2774(5) 0.5074(9) 0.075(3) Uani 1 1 d U . .
H33 H 0.5670 0.2901 0.4755 0.090 Uiso 1 1 calc R . .
C34 C 0.6434(12) 0.2527(5) 0.5878(9) 0.077(3) Uani 1 1 d U . .
H34 H 0.5740 0.2489 0.6084 0.092 Uiso 1 1 calc R . .
C35 C 0.7502(12) 0.2344(5) 0.6356(9) 0.073(3) Uani 1 1 d U . .
C36 C 0.8505(11) 0.2405(5) 0.6023(9) 0.072(3) Uani 1 1 d U . .
H36 H 0.9232 0.2265 0.6326 0.086 Uiso 1 1 calc R . .
C37 C 0.8434(11) 0.2673(5) 0.5240(9) 0.070(2) Uani 1 1 d U . .
C38 C 0.9482(11) 0.2807(5) 0.4897(9) 0.065(2) Uani 1 1 d U . .
C39 C 1.0638(11) 0.2680(5) 0.5354(9) 0.070(3) Uani 1 1 d U . .
H39 H 1.0764 0.2487 0.5874 0.084 Uiso 1 1 calc R . .
C40 C 1.1614(11) 0.2842(5) 0.5034(9) 0.072(3) Uani 1 1 d U . .
C41 C 1.1363(11) 0.3136(4) 0.4247(9) 0.068(3) Uani 1 1 d U . .
H41 H 1.1990 0.3265 0.4025 0.081 Uiso 1 1 calc R . .
C42 C 1.0212(11) 0.3234(5) 0.3813(9) 0.068(2) Uani 1 1 d U . .
H42 H 1.0073 0.3414 0.3278 0.081 Uiso 1 1 calc R . .
C43 C 0.7573(13) 0.2059(6) 0.7230(10) 0.098(4) Uani 1 1 d U . .
H43A H 0.7103 0.2231 0.7578 0.147 Uiso 1 1 calc R . .
H43B H 0.8393 0.2042 0.7566 0.147 Uiso 1 1 calc R . .
H43C H 0.7267 0.1723 0.7098 0.147 Uiso 1 1 calc R . .
C44 C 1.2894(11) 0.2718(6) 0.5510(10) 0.099(5) Uani 1 1 d U . .
H44A H 1.2903 0.2548 0.6064 0.149 Uiso 1 1 calc R . .
H44B H 1.3351 0.3024 0.5633 0.149 Uiso 1 1 calc R . .
H44C H 1.3240 0.2503 0.5134 0.149 Uiso 1 1 calc R . .
C45 C 1.1665(16) 0.0591(7) 0.2685(15) 0.159(7) Uani 1 1 d U . .
H45A H 1.2400 0.0779 0.2797 0.238 Uiso 1 1 calc R . .
H45B H 1.1530 0.0433 0.2105 0.238 Uiso 1 1 calc R . .
H45C H 1.1718 0.0337 0.3139 0.238 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O6 2.313(9) . ?
Dy1 O4 2.319(10) . ?
Dy1 O2 2.328(9) . ?
Dy1 O5 2.329(9) . ?
Dy1 O1 2.331(8) . ?
Dy1 O3 2.346(9) . ?
Dy1 N1 2.519(10) . ?
Dy1 N2 2.530(10) . ?
F1 C1 1.281(16) . ?
F2 C1 1.328(17) . ?
F3 C1 1.334(18) . ?
F4 C11 1.318(15) . ?
F5 C11 1.297(16) . ?
F6 C11 1.322(17) . ?
F7 C22 1.317(19) . ?
F8 C22 1.34(2) . ?
F9 C22 1.276(17) . ?
N1 C33 1.333(14) . ?
N1 C37 1.375(15) . ?
N2 C42 1.365(14) . ?
N2 C38 1.368(15) . ?
O1 C2 1.271(14) . ?
O2 C4 1.272(14) . ?
O3 C12 1.244(15) . ?
O4 C14 1.266(15) . ?
O5 C23 1.241(15) . ?
O6 C25 1.259(14) . ?
C1 C2 1.507(19) . ?
C2 C3 1.342(18) . ?
C3 C4 1.426(19) . ?
C4 C5 1.482(18) . ?
C5 C6 1.342(19) . ?
C5 C10 1.368(18) . ?
C6 C7 1.409(19) . ?
C7 C8 1.34(2) . ?
C8 C9 1.37(2) . ?
C8 C45 1.54(2) . ?
C9 C10 1.385(18) . ?
C11 C12 1.506(18) . ?
C12 C13 1.404(18) . ?
C13 C14 1.415(18) . ?
C14 C15 1.444(18) . ?
C15 C20 1.371(18) . ?
C15 C16 1.373(19) . ?
C16 C17 1.388(18) . ?
C17 C18 1.31(2) . ?
C18 C19 1.35(2) . ?
C18 C21 1.539(19) . ?
C19 C20 1.379(18) . ?
C22 C23 1.479(19) . ?
C23 C24 1.402(18) . ?
C24 C25 1.391(16) . ?
C25 C26 1.507(17) . ?
C26 C27 1.366(17) . ?
C26 C31 1.383(16) . ?
C27 C28 1.406(17) . ?
C28 C29 1.398(18) . ?
C29 C30 1.336(18) . ?
C29 C32 1.504(17) . ?
C30 C31 1.391(17) . ?
C33 C34 1.388(16) . ?
C34 C35 1.359(16) . ?
C35 C36 1.376(16) . ?
C35 C43 1.523(17) . ?
C36 C37 1.380(17) . ?
C37 C38 1.466(16) . ?
C38 C39 1.386(16) . ?
C39 C40 1.393(16) . ?
C40 C41 1.407(16) . ?
C40 C44 1.512(16) . ?
C41 C42 1.354(16) . ?

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
O6 Dy1 O4 87.2(3) . . ?
O6 Dy1 O2 136.7(3) . . ?
O4 Dy1 O2 109.6(3) . . ?
O6 Dy1 O5 72.1(3) . . ?
O4 Dy1 O5 75.0(3) . . ?
O2 Dy1 O5 149.8(3) . . ?
O6 Dy1 O1 151.3(3) . . ?
O4 Dy1 O1 81.9(3) . . ?
O2 Dy1 O1 72.0(3) . . ?
O5 Dy1 O1 79.4(3) . . ?
O6 Dy1 O3 74.2(3) . . ?
O4 Dy1 O3 72.0(3) . . ?
O2 Dy1 O3 73.9(3) . . ?
O5 Dy1 O3 133.4(3) . . ?
O1 Dy1 O3 126.3(3) . . ?
O6 Dy1 N1 100.7(3) . . ?
O4 Dy1 N1 145.1(3) . . ?
O2 Dy1 N1 87.8(3) . . ?
O5 Dy1 N1 75.3(3) . . ?
O1 Dy1 N1 75.0(3) . . ?
O3 Dy1 N1 142.8(3) . . ?
O6 Dy1 N2 75.8(3) . . ?
O4 Dy1 N2 150.6(3) . . ?
O2 Dy1 N2 70.7(3) . . ?
O5 Dy1 N2 120.2(3) . . ?
O1 Dy1 N2 123.7(3) . . ?
O3 Dy1 N2 80.3(3) . . ?
N1 Dy1 N2 63.0(3) . . ?
C33 N1 C37 116.0(12) . . ?
C33 N1 Dy1 121.8(9) . . ?
C37 N1 Dy1 121.9(8) . . ?
C42 N2 C38 116.8(11) . . ?
C42 N2 Dy1 121.0(9) . . ?
C38 N2 Dy1 121.3(8) . . ?
C2 O1 Dy1 131.9(9) . . ?
C4 O2 Dy1 137.8(9) . . ?
C12 O3 Dy1 131.5(9) . . ?
C14 O4 Dy1 136.4(9) . . ?
C23 O5 Dy1 135.7(9) . . ?
C25 O6 Dy1 139.6(9) . . ?
F1 C1 F2 107.8(16) . . ?
F1 C1 F3 103.9(14) . . ?
F2 C1 F3 101.8(13) . . ?
F1 C1 C2 117.3(15) . . ?
F2 C1 C2 112.4(13) . . ?
F3 C1 C2 112.2(15) . . ?
O1 C2 C3 128.4(14) . . ?
O1 C2 C1 114.5(13) . . ?
C3 C2 C1 117.1(14) . . ?
C2 C3 C4 124.0(14) . . ?
O2 C4 C3 120.8(13) . . ?
O2 C4 C5 117.7(13) . . ?
C3 C4 C5 121.5(14) . . ?
C6 C5 C10 119.9(15) . . ?
C6 C5 C4 117.3(14) . . ?
C10 C5 C4 122.8(15) . . ?
C5 C6 C7 118.6(15) . . ?
C8 C7 C6 121.2(17) . . ?
C7 C8 C9 120.3(17) . . ?
C7 C8 C45 120.5(17) . . ?
C9 C8 C45 119.0(16) . . ?
C8 C9 C10 118.1(16) . . ?
C5 C10 C9 121.5(16) . . ?
F5 C11 F4 105.6(13) . . ?
F5 C11 F6 104.5(13) . . ?
F4 C11 F6 104.7(14) . . ?
F5 C11 C12 113.3(14) . . ?
F4 C11 C12 116.3(14) . . ?
F6 C11 C12 111.4(14) . . ?
O3 C12 C13 129.1(14) . . ?
O3 C12 C11 114.1(13) . . ?
C13 C12 C11 116.8(14) . . ?
C12 C13 C14 121.7(14) . . ?
O4 C14 C13 122.0(14) . . ?
O4 C14 C15 116.9(14) . . ?
C13 C14 C15 121.1(15) . . ?
C20 C15 C16 115.2(15) . . ?
C20 C15 C14 121.3(15) . . ?
C16 C15 C14 123.5(15) . . ?
C15 C16 C17 120.7(16) . . ?
C18 C17 C16 123.7(17) . . ?
C17 C18 C19 116.2(16) . . ?
C17 C18 C21 124.5(17) . . ?
C19 C18 C21 119.2(16) . . ?
C18 C19 C20 122.2(17) . . ?
C15 C20 C19 121.6(16) . . ?
F9 C22 F7 106.8(17) . . ?
F9 C22 F8 105.9(17) . . ?
F7 C22 F8 98.9(15) . . ?
F9 C22 C23 121.2(16) . . ?
F7 C22 C23 110.5(16) . . ?
F8 C22 C23 111.1(16) . . ?
O5 C23 C24 126.8(13) . . ?
O5 C23 C22 118.0(14) . . ?
C24 C23 C22 115.2(14) . . ?
C25 C24 C23 123.3(14) . . ?
O6 C25 C24 122.4(13) . . ?
O6 C25 C26 115.4(12) . . ?
C24 C25 C26 122.1(13) . . ?
C27 C26 C31 119.5(13) . . ?
C27 C26 C25 117.8(13) . . ?
C31 C26 C25 122.7(13) . . ?
C26 C27 C28 120.0(15) . . ?
C29 C28 C27 120.1(15) . . ?
C30 C29 C28 118.4(14) . . ?
C30 C29 C32 121.3(14) . . ?
C28 C29 C32 120.3(14) . . ?
C29 C30 C31 122.5(14) . . ?
C26 C31 C30 119.5(14) . . ?
N1 C33 C34 124.7(13) . . ?
C35 C34 C33 118.4(13) . . ?
C34 C35 C36 118.9(13) . . ?
C34 C35 C43 120.3(13) . . ?
C36 C35 C43 120.8(13) . . ?
C35 C36 C37 120.2(13) . . ?
N1 C37 C36 121.5(12) . . ?
N1 C37 C38 114.9(12) . . ?
C36 C37 C38 123.6(13) . . ?
N2 C38 C39 122.4(11) . . ?
N2 C38 C37 115.6(11) . . ?
C39 C38 C37 121.9(12) . . ?
C38 C39 C40 120.0(13) . . ?
C39 C40 C41 117.1(12) . . ?
C39 C40 C44 122.2(13) . . ?
C41 C40 C44 120.7(12) . . ?
C42 C41 C40 120.2(12) . . ?
C41 C42 N2 123.5(12) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        67.25
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.638
_refine_diff_density_min         -1.166
_refine_diff_density_rms         0.109
####################################################################### 
# 
# 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_8457
_database_code_depnum_ccdc_archive 'CCDC 2079703'
loop_
_audit_author_name
_audit_author_address
'sheng zhang'
;Baoji University of Arts and Sciences
China
;
_audit_update_record             
;
2021-04-23 deposited with the CCDC.	2021-04-26 downloaded from the CCDC.
;
_audit_creation_date             2021-04-09
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C88 H66 Dy2 F24 K O16, C5 H6 N'
_chemical_formula_sum            'C93 H72 Dy2 F24 K N O16'
_chemical_formula_weight         2279.61
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.7036(11)
_cell_length_b                   12.9201(12)
_cell_length_c                   16.3475(15)
_cell_angle_alpha                78.309(8)
_cell_angle_beta                 76.098(8)
_cell_angle_gamma                65.756(9)
_cell_volume                     2358.4(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    3247
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      66.7830
_cell_measurement_theta_min      3.8690
_shelx_estimated_absorpt_T_max   0.548
_shelx_estimated_absorpt_T_min   0.509
_exptl_absorpt_coefficient_mu    9.761
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.13049
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            white
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1132
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0746
_diffrn_reflns_av_unetI/netI     0.1332
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15364
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.250
_diffrn_reflns_theta_max         67.250
_diffrn_reflns_theta_min         3.778
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1281
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      1.00  64.00   1.00    1.00    --    0.00  57.00  30.00   63
  2  ω      7.00  71.00   1.00    1.00    --    0.00  57.00 -60.00   64
  3  ω     30.00 129.00   1.00    1.00    --   56.49  45.00-150.00   99
  4  ω     90.00 121.00   1.00    1.00    --  112.98  77.00-120.00   31
  5  ω    109.00 136.00   1.00    1.00    --  112.98  63.00-120.00   27
  6  ω    151.00 178.00   1.00    1.00    --  112.98  63.00-120.00   27
  7  ω    138.00 165.00   1.00    1.00    --  112.98 111.00 -30.00   27
  8  ω    109.00 136.00   1.00    1.00    --  112.98 111.00 -30.00   27
  9  ω    106.00 150.00   1.00    1.00    --  112.98 111.00  60.00   44
 10  ω     82.00 133.00   1.00    1.00    --  112.98 178.00 150.00   51
 11  ω     40.00 175.00   1.00    1.00    --  112.98  12.00 150.00  135
 12  ω     80.00 116.00   1.00    1.00    --  112.98-111.00   0.00   36
 13  ω     51.00 145.00   1.00    1.00    --  112.98 -37.00  90.00   94
 14  ω     50.00 107.00   1.00    1.00    --  112.98-111.00 -60.00   57
 15  ω     91.00 116.00   1.00    1.00    --  112.98-111.00-180.00   25
 16  ω     48.00 139.00   1.00    1.00    --  112.98 -63.00 -90.00   91
 17  ω     42.00 155.00   1.00    1.00    --  112.98 -25.00-120.00  113
 18  ω     41.00  95.00   1.00    1.00    --  112.98 -50.00  90.00   54
 19  ω     46.00 153.00   1.00    1.00    --  112.98 -91.00 120.00  107
 20  ω     20.00 114.00   1.00    1.00    --   56.49-125.00  60.00   94
 21  ω     18.00  74.00   1.00    1.00    --   56.49-125.00 -30.00   56
 22  ω    -12.00  77.00   1.00    1.00    --   56.49 -61.00  60.00   89
 23  ω    -21.00   6.00   1.00    1.00    --    0.00  57.00 -60.00   27
 24  ω    -80.00 -46.00   1.00    1.00    --    0.00 178.00  90.00   34
 25  ω    -81.00 -12.00   1.00    1.00    --  -56.49  61.00 -90.00   69
 26  ω   -122.00 -85.00   1.00    1.00    --  -56.49 -94.00 -30.00   37
 27  ω   -122.00 -56.00   1.00    1.00    --  -56.49 -61.00 -30.00   66
 28  ω   -103.00 -76.00   1.00    1.00    --  -56.49-125.00-120.00   27
 29  ω   -107.00 -82.00   1.00    1.00    --  -56.49 -94.00-180.00   25
 30  ω   -119.00 -86.00   1.00    1.00    --  -56.49 -94.00 120.00   33
 31  ω     73.00 149.00   1.00    1.00    --  112.98 178.00-180.00   76
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1136510000
_diffrn_orient_matrix_UB_12      0.0307631000
_diffrn_orient_matrix_UB_13      -0.0338940000
_diffrn_orient_matrix_UB_21      0.0645033000
_diffrn_orient_matrix_UB_22      -0.0959229000
_diffrn_orient_matrix_UB_23      -0.0579428000
_diffrn_orient_matrix_UB_31      -0.0343044000
_diffrn_orient_matrix_UB_32      -0.0848103000
_diffrn_orient_matrix_UB_33      0.0710735000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5320
_reflns_number_total             8444
_reflns_odcompleteness_completeness 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.900
_refine_diff_density_min         -0.976
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     623
_refine_ls_number_reflns         8444
_refine_ls_number_restraints     1950
_refine_ls_R_factor_all          0.1300
_refine_ls_R_factor_gt           0.0876
_refine_ls_restrained_S_all      1.006
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0803P)²+2.1877P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1865
_refine_ls_wR_factor_ref         0.2279
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{N1A, C1B}
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 3.8A with sigma of 0.02 and sigma
for terminal atoms of 0.04 within 3.8A
Uanis(N1A) = Uanis(C1B)
Uanis(C1B) = Uanis(N1A)
4. Others
 Fixed Sof: C1B(0.5) H1B(0.5) H45A(0.5) H45(0.5) H46A(0.5) H46(0.5) N1A(0.5)
 H1A(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B)
5.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C9(H9), C10(H10), C14(H14), C17(H17), C18(H18), C20(H20),
 C21(H21), C25(H25), C28(H28), C29(H29), C31(H31), C32(H32), C36(H36), C39(H39),
  C40(H40), C42(H42), C43(H43), C1B(H1B), C45(H45A), C45(H45), C46(H46A),
 C46(H46), N1A(H1A)
5.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C22(H22A,H22B,H22C), C33(H33A,H33B,H33C), C44(H44A,H44B,
 H44C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.37039(5) 0.21754(5) 0.30832(4) 0.0560(2) Uani 1 1 d . U . . .
K1 K 0.500000 0.000000 0.500000 0.0674(8) Uani 1 2 d S U P . .
F1 F 0.3468(7) 0.3421(7) 0.5801(5) 0.109(3) Uani 1 1 d . U . . .
F2 F 0.4959(7) 0.1863(6) 0.5843(4) 0.090(2) Uani 1 1 d . U . . .
F3 F 0.5172(9) 0.3450(8) 0.5629(5) 0.116(3) Uani 1 1 d . U . . .
F4 F 0.7141(7) -0.1230(7) 0.3760(5) 0.103(2) Uani 1 1 d . U . . .
F5 F 0.7597(10) -0.1893(9) 0.2610(6) 0.153(4) Uani 1 1 d . U . . .
F6 F 0.8274(7) -0.0754(9) 0.2763(7) 0.161(4) Uani 1 1 d . U . . .
F7 F 0.1897(10) 0.6198(9) 0.1614(7) 0.157(4) Uani 1 1 d . U . . .
F8 F 0.0164(9) 0.6251(9) 0.1872(7) 0.178(5) Uani 1 1 d . U . . .
F9 F 0.1494(10) 0.5107(9) 0.1049(6) 0.155(4) Uani 1 1 d . U . . .
F10 F 0.2935(7) -0.0619(7) 0.5401(4) 0.097(2) Uani 1 1 d . U . . .
F11 F 0.2171(10) -0.1299(8) 0.4772(6) 0.138(3) Uani 1 1 d . U . . .
F12 F 0.1121(8) 0.0114(9) 0.5398(5) 0.143(4) Uani 1 1 d . U . . .
O1 O 0.4246(6) 0.2285(6) 0.4328(4) 0.0639(16) Uani 1 1 d . U . . .
O2 O 0.5046(6) 0.3087(6) 0.2682(4) 0.0665(16) Uani 1 1 d . U . . .
O3 O 0.5495(6) 0.0549(6) 0.3151(4) 0.0676(17) Uani 1 1 d . U . . .
O4 O 0.4572(6) 0.1736(6) 0.1700(4) 0.0659(16) Uani 1 1 d . U . . .
O5 O 0.2727(7) 0.3987(7) 0.2359(5) 0.0769(18) Uani 1 1 d . U . . .
O6 O 0.1989(7) 0.3091(7) 0.3984(5) 0.0822(19) Uani 1 1 d . U . . .
O7 O 0.3224(6) 0.0696(6) 0.4010(4) 0.0654(16) Uani 1 1 d . U . . .
O8 O 0.2384(7) 0.1829(7) 0.2523(5) 0.0728(17) Uani 1 1 d . U . . .
C1 C 0.7346(12) -0.0932(13) 0.2931(9) 0.089(3) Uani 1 1 d . U . . .
C2 C 0.6317(10) 0.0031(10) 0.2589(7) 0.068(2) Uani 1 1 d . U . . .
C3 C 0.6410(10) 0.0224(11) 0.1714(7) 0.077(3) Uani 1 1 d . U . . .
H3A H 0.658942 -0.050378 0.152462 0.092 Uiso 1 1 calc R U . . .
H3B H 0.709624 0.041580 0.149357 0.092 Uiso 1 1 calc R U . . .
C4 C 0.5507(11) 0.1039(11) 0.1298(7) 0.069(2) Uani 1 1 d . U . . .
C5 C 0.5572(11) 0.1124(10) 0.0370(7) 0.071(2) Uani 1 1 d . U . . .
C6 C 0.6640(12) 0.0781(11) -0.0179(8) 0.084(3) Uani 1 1 d . U . . .
H6 H 0.733948 0.047820 0.002977 0.101 Uiso 1 1 calc R U . . .
C7 C 0.6653(12) 0.0895(11) -0.1051(8) 0.088(3) Uani 1 1 d . U . . .
H7 H 0.736769 0.069043 -0.142208 0.105 Uiso 1 1 calc R U . . .
C8 C 0.5636(13) 0.1301(11) -0.1368(7) 0.080(3) Uani 1 1 d . U . . .
C9 C 0.4603(12) 0.1613(11) -0.0822(8) 0.082(3) Uani 1 1 d . U . . .
H9 H 0.390586 0.187073 -0.102829 0.099 Uiso 1 1 calc R U . . .
C10 C 0.4565(12) 0.1554(10) 0.0053(7) 0.078(2) Uani 1 1 d . U . . .
H10 H 0.384550 0.181033 0.041492 0.093 Uiso 1 1 calc R U . . .
C11 C 0.5651(14) 0.1389(13) -0.2297(7) 0.102(4) Uani 1 1 d . U . . .
H11A H 0.538249 0.083890 -0.239694 0.152 Uiso 1 1 calc R U . . .
H11B H 0.643608 0.124054 -0.260118 0.152 Uiso 1 1 calc R U . . .
H11C H 0.514448 0.214399 -0.248897 0.152 Uiso 1 1 calc R U . . .
C12 C 0.4568(12) 0.2935(11) 0.5443(7) 0.075(3) Uani 1 1 d . U . . .
C13 C 0.4712(10) 0.2901(10) 0.4481(7) 0.069(2) Uani 1 1 d . U . . .
C14 C 0.5306(10) 0.3523(10) 0.3930(7) 0.069(2) Uani 1 1 d . U . . .
H14 H 0.559836 0.394014 0.415056 0.083 Uiso 1 1 calc R U . . .
C15 C 0.5483(11) 0.3542(10) 0.3048(7) 0.070(2) Uani 1 1 d . U . . .
C16 C 0.6251(11) 0.4113(11) 0.2503(7) 0.077(2) Uani 1 1 d . U . . .
C17 C 0.6514(14) 0.4883(13) 0.2717(9) 0.106(3) Uani 1 1 d . U . . .
H17 H 0.620801 0.508698 0.326438 0.128 Uiso 1 1 calc R U . . .
C18 C 0.7223(14) 0.5427(14) 0.2185(10) 0.112(4) Uani 1 1 d . U . . .
H18 H 0.737890 0.596335 0.238658 0.135 Uiso 1 1 calc R U . . .
C19 C 0.7668(14) 0.5187(13) 0.1407(9) 0.096(3) Uani 1 1 d . U . . .
C20 C 0.7454(15) 0.4426(14) 0.1168(10) 0.114(4) Uani 1 1 d . U . . .
H20 H 0.778282 0.423165 0.061970 0.137 Uiso 1 1 calc R U . . .
C21 C 0.6744(14) 0.3859(13) 0.1691(9) 0.103(3) Uani 1 1 d . U . . .
H21 H 0.661105 0.331244 0.148292 0.124 Uiso 1 1 calc R U . . .
C22 C 0.8424(15) 0.5767(15) 0.0798(10) 0.131(5) Uani 1 1 d . U . . .
H22A H 0.824439 0.649917 0.096725 0.196 Uiso 1 1 calc R U . . .
H22B H 0.827016 0.586840 0.023391 0.196 Uiso 1 1 calc R U . . .
H22C H 0.923694 0.530107 0.080670 0.196 Uiso 1 1 calc R U . . .
C23 C 0.1279(16) 0.5498(17) 0.1766(11) 0.116(4) Uani 1 1 d . U . . .
C24 C 0.1627(12) 0.4566(12) 0.2481(8) 0.087(3) Uani 1 1 d . U . . .
C25 C 0.0766(12) 0.4534(12) 0.3167(8) 0.092(3) Uani 1 1 d . U . . .
H25 H 0.000489 0.506266 0.315179 0.110 Uiso 1 1 calc R U . . .
C26 C 0.0997(11) 0.3706(11) 0.3918(8) 0.081(3) Uani 1 1 d . U . . .
C27 C 0.0023(11) 0.3702(12) 0.4620(8) 0.085(3) Uani 1 1 d . U . . .
C28 C 0.0281(13) 0.3038(13) 0.5355(9) 0.102(3) Uani 1 1 d . U . . .
H28 H 0.106339 0.264757 0.541275 0.123 Uiso 1 1 calc R U . . .
C29 C -0.0588(13) 0.2923(14) 0.6025(10) 0.111(4) Uani 1 1 d . U . . .
H29 H -0.036707 0.242931 0.650839 0.134 Uiso 1 1 calc R U . . .
C30 C -0.1716(13) 0.3488(14) 0.6001(10) 0.099(4) Uani 1 1 d . U . . .
C31 C -0.1970(14) 0.4158(14) 0.5294(10) 0.117(4) Uani 1 1 d . U . . .
H31 H -0.275665 0.458997 0.526561 0.140 Uiso 1 1 calc R U . . .
C32 C -0.1128(12) 0.4264(13) 0.4577(10) 0.108(4) Uani 1 1 d . U . . .
H32 H -0.136173 0.471373 0.408097 0.129 Uiso 1 1 calc R U . . .
C33 C -0.2682(14) 0.3400(16) 0.6742(10) 0.132(6) Uani 1 1 d . U . . .
H33A H -0.236607 0.272645 0.712418 0.198 Uiso 1 1 calc R U . . .
H33B H -0.330245 0.335418 0.653065 0.198 Uiso 1 1 calc R U . . .
H33C H -0.298370 0.406257 0.703655 0.198 Uiso 1 1 calc R U . . .
C34 C 0.2134(12) -0.0307(12) 0.4919(8) 0.083(3) Uani 1 1 d . U . . .
C35 C 0.2344(10) 0.0455(10) 0.4099(7) 0.071(2) Uani 1 1 d . U . . .
C36 C 0.1542(10) 0.0729(11) 0.3575(7) 0.078(2) Uani 1 1 d . U . . .
H36 H 0.092487 0.047769 0.375232 0.093 Uiso 1 1 calc R U . . .
C37 C 0.1634(11) 0.1381(11) 0.2779(7) 0.075(2) Uani 1 1 d . U . . .
C38 C 0.0883(12) 0.1510(12) 0.2153(8) 0.087(3) Uani 1 1 d . U . . .
C39 C 0.0099(13) 0.0987(13) 0.2296(9) 0.104(3) Uani 1 1 d . U . . .
H39 H -0.005671 0.060188 0.282721 0.125 Uiso 1 1 calc R U . . .
C40 C -0.0464(14) 0.1027(14) 0.1653(10) 0.114(3) Uani 1 1 d . U . . .
H40 H -0.097613 0.064830 0.176263 0.137 Uiso 1 1 calc R U . . .
C41 C -0.0296(14) 0.1598(14) 0.0868(10) 0.113(4) Uani 1 1 d . U . . .
C42 C 0.0458(13) 0.2122(13) 0.0738(9) 0.103(3) Uani 1 1 d . U . . .
H42 H 0.058723 0.252981 0.021111 0.124 Uiso 1 1 calc R U . . .
C43 C 0.1051(12) 0.2074(12) 0.1361(8) 0.092(3) Uani 1 1 d . U . . .
H43 H 0.157874 0.243701 0.123697 0.111 Uiso 1 1 calc R U . . .
C44 C -0.0909(18) 0.1611(16) 0.0174(10) 0.151(6) Uani 1 1 d . U . . .
H44A H -0.108220 0.093438 0.027208 0.227 Uiso 1 1 calc R U . . .
H44B H -0.040840 0.163197 -0.036647 0.227 Uiso 1 1 calc R U . . .
H44C H -0.162596 0.227394 0.017843 0.227 Uiso 1 1 calc R U . . .
C1B C 0.4678(13) 0.4164(13) 0.0399(10) 0.115(3) Uani 0.5 1 d . U P A 6
H1B H 0.446438 0.353940 0.060743 0.138 Uiso 0.5 1 calc R U P A 6
C45 C 0.5295(17) 0.4120(17) -0.0413(12) 0.138(5) Uani 1 1 d . U . . .
H45A H 0.550577 0.346816 -0.067215 0.166 Uiso 0.5 1 calc R U P A 6
H45 H 0.550577 0.346816 -0.067215 0.166 Uiso 0.5 1 calc R U P A 5
C46 C 0.4341(17) 0.4881(17) 0.0923(12) 0.136(4) Uani 1 1 d . U . . .
H46A H 0.396344 0.482674 0.148294 0.163 Uiso 0.5 1 calc R U P A 6
H46 H 0.396344 0.482674 0.148294 0.163 Uiso 0.5 1 calc R U P A 5
N1A N 0.4678(13) 0.4164(13) 0.0399(10) 0.115(3) Uani 0.5 1 d . U P A 5
H1A H 0.448047 0.358640 0.059176 0.138 Uiso 0.5 1 calc R U P A 5


_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 K1 3.9419(7) . ?
Dy1 O1 2.347(6) . ?
Dy1 O2 2.350(7) . ?
Dy1 O3 2.388(7) . ?
Dy1 O4 2.336(7) . ?
Dy1 O5 2.370(8) . ?
Dy1 O6 2.315(8) . ?
Dy1 O7 2.379(7) . ?
Dy1 O8 2.318(7) . ?
K1 F2 2.983(7) 2_656 ?
K1 F2 2.983(7) . ?
K1 F4 3.023(8) 2_656 ?
K1 F4 3.023(8) . ?
K1 F10 2.939(7) . ?
K1 F10 2.939(7) 2_656 ?
K1 O1 2.777(7) 2_656 ?
K1 O1 2.777(7) . ?
K1 O3 2.936(7) 2_656 ?
K1 O3 2.936(7) . ?
K1 O7 2.831(7) 2_656 ?
K1 O7 2.831(7) . ?
F1 C12 1.313(14) . ?
F2 C12 1.347(13) . ?
F3 C12 1.318(13) . ?
F4 C1 1.324(14) . ?
F5 C1 1.333(16) . ?
F6 C1 1.250(16) . ?
F7 C23 1.38(2) . ?
F8 C23 1.342(18) . ?
F9 C23 1.294(19) . ?
F10 C34 1.319(14) . ?
F11 C34 1.332(15) . ?
F12 C34 1.296(15) . ?
O1 C13 1.258(12) . ?
O2 C15 1.258(12) . ?
O3 C2 1.264(13) . ?
O4 C4 1.281(13) . ?
O5 C24 1.273(15) . ?
O6 C26 1.200(14) . ?
O7 C35 1.248(12) . ?
O8 C37 1.258(12) . ?
C1 C2 1.517(16) . ?
C2 C3 1.386(15) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.407(15) . ?
C4 C5 1.483(15) . ?
C5 C6 1.388(16) . ?
C5 C10 1.354(16) . ?
C6 H6 0.9300 . ?
C6 C7 1.400(16) . ?
C7 H7 0.9300 . ?
C7 C8 1.366(17) . ?
C8 C9 1.353(17) . ?
C8 C11 1.497(15) . ?
C9 H9 0.9300 . ?
C9 C10 1.407(15) . ?
C10 H10 0.9300 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.547(15) . ?
C13 C14 1.380(14) . ?
C14 H14 0.9300 . ?
C14 C15 1.402(14) . ?
C15 C16 1.483(14) . ?
C16 C17 1.301(17) . ?
C16 C21 1.368(17) . ?
C17 H17 0.9300 . ?
C17 C18 1.400(17) . ?
C18 H18 0.9300 . ?
C18 C19 1.305(18) . ?
C19 C20 1.273(18) . ?
C19 C22 1.519(16) . ?
C20 H20 0.9300 . ?
C20 C21 1.415(18) . ?
C21 H21 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.501(19) . ?
C24 C25 1.373(17) . ?
C25 H25 0.9300 . ?
C25 C26 1.456(16) . ?
C26 C27 1.472(17) . ?
C27 C28 1.351(17) . ?
C27 C32 1.352(17) . ?
C28 H28 0.9300 . ?
C28 C29 1.389(18) . ?
C29 H29 0.9300 . ?
C29 C30 1.321(19) . ?
C30 C31 1.317(18) . ?
C30 C33 1.527(18) . ?
C31 H31 0.9300 . ?
C31 C32 1.411(18) . ?
C32 H32 0.9300 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.532(15) . ?
C35 C36 1.378(14) . ?
C36 H36 0.9300 . ?
C36 C37 1.408(15) . ?
C37 C38 1.501(15) . ?
C38 C39 1.371(16) . ?
C38 C43 1.367(16) . ?
C39 H39 0.9300 . ?
C39 C40 1.388(18) . ?
C40 H40 0.9300 . ?
C40 C41 1.360(18) . ?
C41 C42 1.340(17) . ?
C41 C44 1.518(18) . ?
C42 H42 0.9300 . ?
C42 C43 1.383(16) . ?
C43 H43 0.9300 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C1B H1B 0.9300 . ?
C1B C45 1.369(19) . ?
C1B C46 1.26(2) . ?
C45 H45A 0.9300 . ?
C45 H45 0.9300 . ?
C45 C46 1.56(2) 2_665 ?
C45 N1A 1.369(19) . ?
C46 H46A 0.9300 . ?
C46 H46 0.9300 . ?
C46 N1A 1.26(2) . ?
N1A H1A 0.8600 . ?

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 K1 43.88(17) . . ?
O1 Dy1 O2 72.8(2) . . ?
O1 Dy1 O3 76.6(3) . . ?
O1 Dy1 O5 113.4(3) . . ?
O1 Dy1 O7 79.4(2) . . ?
O2 Dy1 K1 99.85(17) . . ?
O2 Dy1 O3 80.2(3) . . ?
O2 Dy1 O5 73.6(3) . . ?
O2 Dy1 O7 145.1(2) . . ?
O3 Dy1 K1 47.90(16) . . ?
O4 Dy1 K1 119.02(18) . . ?
O4 Dy1 O1 139.2(3) . . ?
O4 Dy1 O2 76.6(2) . . ?
O4 Dy1 O3 72.1(2) . . ?
O4 Dy1 O5 82.2(3) . . ?
O4 Dy1 O7 114.5(3) . . ?
O5 Dy1 K1 156.4(2) . . ?
O5 Dy1 O3 146.8(3) . . ?
O5 Dy1 O7 138.5(3) . . ?
O6 Dy1 K1 90.82(19) . . ?
O6 Dy1 O1 73.1(3) . . ?
O6 Dy1 O2 115.8(3) . . ?
O6 Dy1 O3 138.6(3) . . ?
O6 Dy1 O4 146.2(3) . . ?
O6 Dy1 O5 72.7(3) . . ?
O6 Dy1 O7 74.2(3) . . ?
O6 Dy1 O8 80.4(3) . . ?
O7 Dy1 K1 45.33(16) . . ?
O7 Dy1 O3 73.0(2) . . ?
O8 Dy1 K1 116.87(17) . . ?
O8 Dy1 O1 145.6(3) . . ?
O8 Dy1 O2 140.1(2) . . ?
O8 Dy1 O3 112.4(3) . . ?
O8 Dy1 O4 72.4(3) . . ?
O8 Dy1 O5 77.8(3) . . ?
O8 Dy1 O7 72.5(2) . . ?
F2 K1 F2 180.0 . 2_656 ?
F2 K1 F4 59.7(2) . 2_656 ?
F2 K1 F4 59.7(2) 2_656 . ?
F2 K1 F4 120.3(2) . . ?
F2 K1 F4 120.3(2) 2_656 2_656 ?
F4 K1 F4 180.0 . 2_656 ?
F10 K1 F2 118.9(2) . . ?
F10 K1 F2 61.1(2) . 2_656 ?
F10 K1 F2 61.1(2) 2_656 . ?
F10 K1 F2 118.9(2) 2_656 2_656 ?
F10 K1 F4 59.2(2) . 2_656 ?
F10 K1 F4 120.8(2) 2_656 2_656 ?
F10 K1 F4 120.8(2) . . ?
F10 K1 F4 59.2(2) 2_656 . ?
F10 K1 F10 180.0 2_656 . ?
O1 K1 F2 56.11(18) 2_656 2_656 ?
O1 K1 F2 123.89(18) 2_656 . ?
O1 K1 F2 56.11(18) . . ?
O1 K1 F2 123.89(18) . 2_656 ?
O1 K1 F4 74.4(2) 2_656 . ?
O1 K1 F4 74.4(2) . 2_656 ?
O1 K1 F4 105.6(2) 2_656 2_656 ?
O1 K1 F4 105.6(2) . . ?
O1 K1 F10 106.6(2) . . ?
O1 K1 F10 106.6(2) 2_656 2_656 ?
O1 K1 F10 73.4(2) 2_656 . ?
O1 K1 F10 73.4(2) . 2_656 ?
O1 K1 O1 180.0 2_656 . ?
O1 K1 O3 118.2(2) 2_656 . ?
O1 K1 O3 61.8(2) . . ?
O1 K1 O3 61.8(2) 2_656 2_656 ?
O1 K1 O3 118.3(2) . 2_656 ?
O1 K1 O7 114.8(2) 2_656 . ?
O1 K1 O7 114.8(2) . 2_656 ?
O1 K1 O7 65.2(2) . . ?
O1 K1 O7 65.2(2) 2_656 2_656 ?
O3 K1 F2 109.4(2) 2_656 2_656 ?
O3 K1 F2 109.44(19) . . ?
O3 K1 F2 70.56(19) . 2_656 ?
O3 K1 F2 70.56(19) 2_656 . ?
O3 K1 F4 128.22(19) 2_656 . ?
O3 K1 F4 51.77(19) . . ?
O3 K1 F4 128.23(19) . 2_656 ?
O3 K1 F4 51.77(19) 2_656 2_656 ?
O3 K1 F10 107.41(19) . . ?
O3 K1 F10 107.41(19) 2_656 2_656 ?
O3 K1 F10 72.59(19) 2_656 . ?
O3 K1 F10 72.59(19) . 2_656 ?
O3 K1 O3 180.0 2_656 . ?
O7 K1 F2 114.2(2) 2_656 2_656 ?
O7 K1 F2 65.8(2) 2_656 . ?
O7 K1 F2 65.8(2) . 2_656 ?
O7 K1 F2 114.2(2) . . ?
O7 K1 F4 79.1(2) 2_656 . ?
O7 K1 F4 100.9(2) 2_656 2_656 ?
O7 K1 F4 79.1(2) . 2_656 ?
O7 K1 F4 100.9(2) . . ?
O7 K1 F10 126.56(18) 2_656 . ?
O7 K1 F10 53.44(18) 2_656 2_656 ?
O7 K1 F10 126.56(18) . 2_656 ?
O7 K1 F10 53.44(18) . . ?
O7 K1 O3 121.1(2) . 2_656 ?
O7 K1 O3 58.9(2) . . ?
O7 K1 O3 58.9(2) 2_656 2_656 ?
O7 K1 O3 121.1(2) 2_656 . ?
O7 K1 O7 180.0 2_656 . ?
C12 F2 K1 117.5(6) . . ?
C1 F4 K1 126.3(8) . . ?
C34 F10 K1 125.4(7) . . ?
Dy1 O1 K1 100.3(2) . . ?
C13 O1 Dy1 131.4(7) . . ?
C13 O1 K1 118.6(7) . . ?
C15 O2 Dy1 136.6(7) . . ?
Dy1 O3 K1 95.0(2) . . ?
C2 O3 Dy1 133.0(7) . . ?
C2 O3 K1 131.8(7) . . ?
C4 O4 Dy1 140.0(7) . . ?
C24 O5 Dy1 126.1(8) . . ?
C26 O6 Dy1 136.9(9) . . ?
Dy1 O7 K1 98.0(2) . . ?
C35 O7 Dy1 129.0(7) . . ?
C35 O7 K1 132.1(7) . . ?
C37 O8 Dy1 137.8(7) . . ?
F4 C1 F5 103.0(12) . . ?
F4 C1 C2 114.4(12) . . ?
F5 C1 C2 110.5(12) . . ?
F6 C1 F4 107.3(13) . . ?
F6 C1 F5 106.1(14) . . ?
F6 C1 C2 114.6(12) . . ?
O3 C2 C1 114.6(10) . . ?
O3 C2 C3 129.2(11) . . ?
C3 C2 C1 116.2(12) . . ?
C2 C3 H3A 106.5 . . ?
C2 C3 H3B 106.5 . . ?
C2 C3 C4 123.2(12) . . ?
H3A C3 H3B 106.5 . . ?
C4 C3 H3A 106.5 . . ?
C4 C3 H3B 106.5 . . ?
O4 C4 C3 122.0(10) . . ?
O4 C4 C5 116.1(11) . . ?
C3 C4 C5 121.9(11) . . ?
C6 C5 C4 121.5(11) . . ?
C10 C5 C4 119.1(11) . . ?
C10 C5 C6 119.4(12) . . ?
C5 C6 H6 120.4 . . ?
C5 C6 C7 119.2(13) . . ?
C7 C6 H6 120.4 . . ?
C6 C7 H7 119.4 . . ?
C8 C7 C6 121.3(13) . . ?
C8 C7 H7 119.4 . . ?
C7 C8 C11 121.3(13) . . ?
C9 C8 C7 118.7(12) . . ?
C9 C8 C11 120.0(13) . . ?
C8 C9 H9 119.4 . . ?
C8 C9 C10 121.1(13) . . ?
C10 C9 H9 119.4 . . ?
C5 C10 C9 120.2(13) . . ?
C5 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
F1 C12 F2 106.1(10) . . ?
F1 C12 F3 108.1(11) . . ?
F1 C12 C13 112.6(11) . . ?
F2 C12 C13 110.0(10) . . ?
F3 C12 F2 105.8(11) . . ?
F3 C12 C13 113.8(10) . . ?
O1 C13 C12 112.3(10) . . ?
O1 C13 C14 130.0(10) . . ?
C14 C13 C12 117.7(10) . . ?
C13 C14 H14 119.1 . . ?
C13 C14 C15 121.8(10) . . ?
C15 C14 H14 119.1 . . ?
O2 C15 C14 124.3(10) . . ?
O2 C15 C16 117.2(10) . . ?
C14 C15 C16 118.5(10) . . ?
C17 C16 C15 125.9(12) . . ?
C17 C16 C21 113.8(12) . . ?
C21 C16 C15 120.3(11) . . ?
C16 C17 H17 117.6 . . ?
C16 C17 C18 124.8(15) . . ?
C18 C17 H17 117.6 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.5(15) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 C22 122.6(14) . . ?
C20 C19 C18 117.4(14) . . ?
C20 C19 C22 120.0(15) . . ?
C19 C20 H20 118.3 . . ?
C19 C20 C21 123.5(16) . . ?
C21 C20 H20 118.3 . . ?
C16 C21 C20 120.1(14) . . ?
C16 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
F7 C23 C24 112.4(15) . . ?
F8 C23 F7 102.1(16) . . ?
F8 C23 C24 116.9(15) . . ?
F9 C23 F7 104.2(15) . . ?
F9 C23 F8 107.3(15) . . ?
F9 C23 C24 112.7(16) . . ?
O5 C24 C23 111.6(13) . . ?
O5 C24 C25 131.1(12) . . ?
C25 C24 C23 117.1(13) . . ?
C24 C25 H25 118.7 . . ?
C24 C25 C26 122.7(12) . . ?
C26 C25 H25 118.7 . . ?
O6 C26 C25 119.5(12) . . ?
O6 C26 C27 120.7(12) . . ?
C25 C26 C27 119.6(12) . . ?
C28 C27 C26 118.3(12) . . ?
C28 C27 C32 116.5(13) . . ?
C32 C27 C26 125.1(13) . . ?
C27 C28 H28 119.1 . . ?
C27 C28 C29 121.9(14) . . ?
C29 C28 H28 119.1 . . ?
C28 C29 H29 118.8 . . ?
C30 C29 C28 122.4(15) . . ?
C30 C29 H29 118.8 . . ?
C29 C30 C33 123.1(15) . . ?
C31 C30 C29 115.9(15) . . ?
C31 C30 C33 121.0(14) . . ?
C30 C31 H31 117.9 . . ?
C30 C31 C32 124.2(15) . . ?
C32 C31 H31 117.9 . . ?
C27 C32 C31 119.0(14) . . ?
C27 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
F10 C34 F11 103.3(11) . . ?
F10 C34 C35 114.1(10) . . ?
F11 C34 C35 112.5(12) . . ?
F12 C34 F10 107.0(12) . . ?
F12 C34 F11 103.6(11) . . ?
F12 C34 C35 115.2(12) . . ?
O7 C35 C34 114.8(10) . . ?
O7 C35 C36 131.2(11) . . ?
C36 C35 C34 113.9(10) . . ?
C35 C36 H36 119.3 . . ?
C35 C36 C37 121.5(10) . . ?
C37 C36 H36 119.3 . . ?
O8 C37 C36 123.1(10) . . ?
O8 C37 C38 115.7(10) . . ?
C36 C37 C38 121.0(10) . . ?
C39 C38 C37 123.5(11) . . ?
C43 C38 C37 119.8(10) . . ?
C43 C38 C39 116.3(12) . . ?
C38 C39 H39 119.7 . . ?
C38 C39 C40 120.6(13) . . ?
C40 C39 H39 119.7 . . ?
C39 C40 H40 118.7 . . ?
C41 C40 C39 122.6(14) . . ?
C41 C40 H40 118.7 . . ?
C40 C41 C44 121.3(14) . . ?
C42 C41 C40 116.6(14) . . ?
C42 C41 C44 122.1(14) . . ?
C41 C42 H42 119.0 . . ?
C41 C42 C43 122.1(13) . . ?
C43 C42 H42 119.0 . . ?
C38 C43 C42 121.9(12) . . ?
C38 C43 H43 119.0 . . ?
C42 C43 H43 119.0 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C45 C1B H1B 113.5 . . ?
C46 C1B H1B 113.5 . . ?
C46 C1B C45 133.0(19) . . ?
C1B C45 H45A 118.6 . . ?
C1B C45 C46 122.7(17) . 2_665 ?
C46 C45 H45A 118.6 2_665 . ?
C46 C45 H45 118.6 2_665 . ?
N1A C45 H45 118.6 . . ?
N1A C45 C46 122.7(17) . 2_665 ?
C1B C46 H46A 127.9 . . ?
C45 C46 H46A 127.9 2_665 . ?
C45 C46 H46 127.9 2_665 . ?
N1A C46 H46 127.9 . . ?
C45 N1A H1A 113.5 . . ?
C46 N1A C45 133.0(19) . . ?
C46 N1A H1A 113.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C13 C12 162.8(7) . . . . ?
Dy1 O1 C13 C14 -17(2) . . . . ?
Dy1 O2 C15 C14 6(2) . . . . ?
Dy1 O2 C15 C16 -175.0(8) . . . . ?
Dy1 O3 C2 C1 175.9(8) . . . . ?
Dy1 O3 C2 C3 -3.7(19) . . . . ?
Dy1 O4 C4 C3 -1.4(18) . . . . ?
Dy1 O4 C4 C5 177.4(7) . . . . ?
Dy1 O5 C24 C23 -164.3(10) . . . . ?
Dy1 O5 C24 C25 22(2) . . . . ?
Dy1 O6 C26 C25 -35(2) . . . . ?
Dy1 O6 C26 C27 150.8(10) . . . . ?
Dy1 O7 C35 C34 -162.8(8) . . . . ?
Dy1 O7 C35 C36 19(2) . . . . ?
Dy1 O8 C37 C36 -12(2) . . . . ?
Dy1 O8 C37 C38 172.6(9) . . . . ?
K1 F2 C12 F1 98.4(9) . . . . ?
K1 F2 C12 F3 -147.0(7) . . . . ?
K1 F2 C12 C13 -23.7(12) . . . . ?
K1 F4 C1 F5 -128.1(9) . . . . ?
K1 F4 C1 F6 120.1(11) . . . . ?
K1 F4 C1 C2 -8.2(17) . . . . ?
K1 F10 C34 F11 121.4(9) . . . . ?
K1 F10 C34 F12 -129.7(9) . . . . ?
K1 F10 C34 C35 -1.0(17) . . . . ?
K1 O1 C13 C12 -58.4(12) . . . . ?
K1 O1 C13 C14 121.5(12) . . . . ?
K1 O3 C2 C1 -12.4(15) . . . . ?
K1 O3 C2 C3 168.1(9) . . . . ?
K1 O7 C35 C34 3.9(17) . . . . ?
K1 O7 C35 C36 -174.0(11) . . . . ?
F1 C12 C13 O1 -64.8(14) . . . . ?
F1 C12 C13 C14 115.2(13) . . . . ?
F2 C12 C13 O1 53.3(14) . . . . ?
F2 C12 C13 C14 -126.7(12) . . . . ?
F3 C12 C13 O1 171.8(11) . . . . ?
F3 C12 C13 C14 -8.2(18) . . . . ?
F4 C1 C2 O3 12.2(18) . . . . ?
F4 C1 C2 C3 -168.2(12) . . . . ?
F5 C1 C2 O3 127.9(12) . . . . ?
F5 C1 C2 C3 -52.5(16) . . . . ?
F6 C1 C2 O3 -112.3(15) . . . . ?
F6 C1 C2 C3 67.3(18) . . . . ?
F7 C23 C24 O5 -55(2) . . . . ?
F7 C23 C24 C25 120.2(16) . . . . ?
F8 C23 C24 O5 -172.2(16) . . . . ?
F8 C23 C24 C25 3(3) . . . . ?
F9 C23 C24 O5 63(2) . . . . ?
F9 C23 C24 C25 -122.4(17) . . . . ?
F10 C34 C35 O7 -1.6(18) . . . . ?
F10 C34 C35 C36 176.7(12) . . . . ?
F11 C34 C35 O7 -118.8(13) . . . . ?
F11 C34 C35 C36 59.5(16) . . . . ?
F12 C34 C35 O7 122.8(14) . . . . ?
F12 C34 C35 C36 -58.9(17) . . . . ?
O1 C13 C14 C15 0(2) . . . . ?
O2 C15 C16 C17 159.6(15) . . . . ?
O2 C15 C16 C21 -19(2) . . . . ?
O3 C2 C3 C4 -4(2) . . . . ?
O4 C4 C5 C6 154.4(11) . . . . ?
O4 C4 C5 C10 -25.2(16) . . . . ?
O5 C24 C25 C26 -4(3) . . . . ?
O6 C26 C27 C28 4(2) . . . . ?
O6 C26 C27 C32 -172.3(15) . . . . ?
O7 C35 C36 C37 1(2) . . . . ?
O8 C37 C38 C39 173.7(14) . . . . ?
O8 C37 C38 C43 1(2) . . . . ?
C1 C2 C3 C4 176.2(12) . . . . ?
C2 C3 C4 O4 6.7(18) . . . . ?
C2 C3 C4 C5 -172.0(11) . . . . ?
C3 C4 C5 C6 -26.9(17) . . . . ?
C3 C4 C5 C10 153.6(12) . . . . ?
C4 C5 C6 C7 -179.0(11) . . . . ?
C4 C5 C10 C9 -178.2(11) . . . . ?
C5 C6 C7 C8 -2(2) . . . . ?
C6 C5 C10 C9 2.2(18) . . . . ?
C6 C7 C8 C9 1(2) . . . . ?
C6 C7 C8 C11 -178.1(12) . . . . ?
C7 C8 C9 C10 2(2) . . . . ?
C8 C9 C10 C5 -3.5(19) . . . . ?
C10 C5 C6 C7 0.5(19) . . . . ?
C11 C8 C9 C10 -179.1(12) . . . . ?
C12 C13 C14 C15 179.8(11) . . . . ?
C13 C14 C15 O2 6(2) . . . . ?
C13 C14 C15 C16 -172.7(12) . . . . ?
C14 C15 C16 C17 -22(2) . . . . ?
C14 C15 C16 C21 159.4(13) . . . . ?
C15 C16 C17 C18 -178.6(15) . . . . ?
C15 C16 C21 C20 178.6(14) . . . . ?
C16 C17 C18 C19 1(3) . . . . ?
C17 C16 C21 C20 -1(2) . . . . ?
C17 C18 C19 C20 -2(3) . . . . ?
C17 C18 C19 C22 178.9(16) . . . . ?
C18 C19 C20 C21 2(3) . . . . ?
C19 C20 C21 C16 0(3) . . . . ?
C21 C16 C17 C18 0(3) . . . . ?
C22 C19 C20 C21 -179.0(16) . . . . ?
C23 C24 C25 C26 -177.3(15) . . . . ?
C24 C25 C26 O6 7(2) . . . . ?
C24 C25 C26 C27 -178.3(13) . . . . ?
C25 C26 C27 C28 -170.8(14) . . . . ?
C25 C26 C27 C32 13(2) . . . . ?
C26 C27 C28 C29 -175.2(14) . . . . ?
C26 C27 C32 C31 178.2(15) . . . . ?
C27 C28 C29 C30 -3(3) . . . . ?
C28 C27 C32 C31 2(2) . . . . ?
C28 C29 C30 C31 1(3) . . . . ?
C28 C29 C30 C33 -178.0(16) . . . . ?
C29 C30 C31 C32 2(3) . . . . ?
C30 C31 C32 C27 -4(3) . . . . ?
C32 C27 C28 C29 1(2) . . . . ?
C33 C30 C31 C32 -178.5(16) . . . . ?
C34 C35 C36 C37 -177.2(12) . . . . ?
C35 C36 C37 O8 -6(2) . . . . ?
C35 C36 C37 C38 169.6(13) . . . . ?
C36 C37 C38 C39 -2(2) . . . . ?
C36 C37 C38 C43 -175.1(14) . . . . ?
C37 C38 C39 C40 -172.1(15) . . . . ?
C37 C38 C43 C42 173.8(14) . . . . ?
C38 C39 C40 C41 -2(3) . . . . ?
C39 C38 C43 C42 0(2) . . . . ?
C39 C40 C41 C42 1(3) . . . . ?
C39 C40 C41 C44 179.0(17) . . . . ?
C40 C41 C42 C43 1(3) . . . . ?
C41 C42 C43 C38 -1(3) . . . . ?
C43 C38 C39 C40 1(3) . . . . ?
C44 C41 C42 C43 -177.5(17) . . . . ?
C45 C1B C46 C45 4(3) . . . 2_665 ?
C45 C46 N1A C45 4(3) 2_665 . . . ?
C46 C1B C45 C46 -5(4) . . . 2_665 ?
C46 C45 N1A C46 -5(4) 2_665 . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.376
_oxdiff_exptl_absorpt_empirical_full_min 0.494
####################################################################### 
# 
# 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_8490_sq
_database_code_depnum_ccdc_archive 'CCDC 2079704'
loop_
_audit_author_name
_audit_author_address
'sheng zhang'
;Baoji University of Arts and Sciences
China
;
_audit_update_record             
;
2021-04-23 deposited with the CCDC.	2021-04-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C102 H68 Dy2 F18 N8 O12'
_chemical_formula_weight         2264.64

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'
F F 0.0727 0.0534 '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                   45.840(2)
_cell_length_b                   19.6673(6)
_cell_length_c                   25.2882(11)
_cell_angle_alpha                90
_cell_angle_beta                 115.257(3)
_cell_angle_gamma                90
_cell_volume                     20619.1(15)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6542
_cell_measurement_theta_min      3.5400
_cell_measurement_theta_max      67.9920

_exptl_crystal_description       block
_exptl_crystal_colour            white
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_F_000             9008
_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    8.482
_shelx_estimated_absorpt_T_min   0.550
_shelx_estimated_absorpt_T_max   0.588
_exptl_absorpt_correction_T_min  0.18123
_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            35746
_diffrn_reflns_av_unetI/netI     0.0763
_diffrn_reflns_av_R_equivalents  0.0494
_diffrn_reflns_limit_h_min       -54
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.417
_diffrn_reflns_theta_max         67.243
_diffrn_reflns_theta_full        67.243
_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             18421
_reflns_number_gt                10375
_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 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.2000P)²] 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     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.000046(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         18421
_refine_ls_number_parameters     1286
_refine_ls_number_restraints     4053
_refine_ls_R_factor_all          0.1350
_refine_ls_R_factor_gt           0.0845
_refine_ls_wR_factor_ref         0.3027
_refine_ls_wR_factor_gt          0.2448
_refine_ls_goodness_of_fit_ref   0.944
_refine_ls_restrained_S_all      0.925
_refine_ls_shift/su_max          0.002
_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 0.61526(2) 0.61637(3) 0.10918(2) 0.0712(2) Uani 1 1 d . U . . .
F7 F 0.6367(2) 0.5943(6) -0.0668(4) 0.156(3) Uani 1 1 d . U . . .
F8 F 0.6829(2) 0.5747(5) -0.0001(4) 0.139(3) Uani 1 1 d . U . . .
F9 F 0.6565(3) 0.4920(5) -0.0530(4) 0.150(3) Uani 1 1 d . U . . .
O1 O 0.62833(18) 0.5880(4) 0.2047(3) 0.0883(17) Uani 1 1 d . U . . .
O2 O 0.59405(17) 0.6991(4) 0.1480(3) 0.0859(16) Uani 1 1 d . U . . .
O3 O 0.57759(17) 0.6718(4) 0.0289(3) 0.0932(19) Uani 1 1 d . U . . .
O4 O 0.56576(16) 0.5710(4) 0.0937(3) 0.0938(18) Uani 1 1 d . U . . .
O5 O 0.63270(17) 0.5916(4) 0.0358(3) 0.0862(17) Uani 1 1 d . U . . .
O6 O 0.61921(17) 0.4997(4) 0.1050(3) 0.0837(17) Uani 1 1 d . U . . .
N1 N 0.67763(18) 0.6086(4) 0.1585(3) 0.0718(17) Uani 1 1 d . U . . .
N2 N 0.64588(19) 0.7275(4) 0.1183(4) 0.0778(18) Uani 1 1 d . U . . .
N3 N 0.7794(2) 0.7240(5) 0.2256(3) 0.0807(19) Uani 1 1 d . U . . .
N4 N 0.7465(2) 0.8476(5) 0.1919(4) 0.086(2) Uani 1 1 d . U . . .
C2 C 0.6161(3) 0.6048(7) 0.2383(6) 0.107(3) Uani 1 1 d . U . . .
C3 C 0.5958(3) 0.6569(7) 0.2348(6) 0.114(3) Uani 1 1 d . U . . .
H3 H 0.587611 0.659878 0.262557 0.137 Uiso 1 1 calc R U . . .
C4 C 0.5867(3) 0.7077(6) 0.1894(5) 0.092(2) Uani 1 1 d . U . . .
C5 C 0.5669(3) 0.7654(7) 0.1886(5) 0.096(3) Uani 1 1 d . U . . .
C6 C 0.5600(3) 0.7845(7) 0.2358(6) 0.111(3) Uani 1 1 d . U . . .
H6 H 0.568194 0.759139 0.270138 0.134 Uiso 1 1 calc R U . . .
C7 C 0.5409(3) 0.8416(7) 0.2308(6) 0.117(3) Uani 1 1 d . U . . .
H7 H 0.536259 0.852895 0.262104 0.140 Uiso 1 1 calc R U . . .
C8 C 0.5289(3) 0.8811(7) 0.1825(7) 0.110(3) Uani 1 1 d . U . . .
C9 C 0.5362(3) 0.8646(7) 0.1386(7) 0.111(3) Uani 1 1 d . U . . .
H9 H 0.528865 0.891707 0.105265 0.133 Uiso 1 1 calc R U . . .
C10 C 0.5550(3) 0.8066(7) 0.1418(6) 0.109(3) Uani 1 1 d . U . . .
H10 H 0.559416 0.796433 0.110063 0.131 Uiso 1 1 calc R U . . .
C11 C 0.5072(4) 0.9402(8) 0.1786(7) 0.132(5) Uani 1 1 d . U . . .
H11A H 0.510720 0.976099 0.156331 0.198 Uiso 1 1 calc R U . . .
H11B H 0.511933 0.956304 0.217286 0.198 Uiso 1 1 calc R U . . .
H11C H 0.485097 0.925763 0.159879 0.198 Uiso 1 1 calc R U . . .
C13 C 0.5469(3) 0.6769(7) 0.0100(6) 0.101(3) Uani 1 1 d . U . . .
C14 C 0.5267(3) 0.6419(7) 0.0252(6) 0.108(3) Uani 1 1 d . U . . .
H14 H 0.505009 0.653762 0.008309 0.129 Uiso 1 1 calc R U . . .
C15 C 0.5367(3) 0.5881(7) 0.0655(6) 0.097(3) Uani 1 1 d . U . . .
C16 C 0.5129(3) 0.5473(7) 0.0776(6) 0.101(3) Uani 1 1 d . U . . .
C17 C 0.5236(3) 0.5066(8) 0.1264(7) 0.114(3) Uani 1 1 d . U . . .
H17 H 0.545325 0.507299 0.152113 0.137 Uiso 1 1 calc R U . . .
C18 C 0.5023(3) 0.4635(8) 0.1388(7) 0.120(4) Uani 1 1 d . U . . .
H18 H 0.510067 0.435206 0.171340 0.144 Uiso 1 1 calc R U . . .
C19 C 0.4698(3) 0.4648(8) 0.1009(7) 0.119(4) Uani 1 1 d . U . . .
C20 C 0.4597(3) 0.5074(9) 0.0549(7) 0.127(4) Uani 1 1 d . U . . .
H20 H 0.437761 0.510228 0.030598 0.152 Uiso 1 1 calc R U . . .
C21 C 0.4805(3) 0.5460(8) 0.0432(7) 0.116(3) Uani 1 1 d . U . . .
H21 H 0.472285 0.573189 0.009918 0.140 Uiso 1 1 calc R U . . .
C22 C 0.4454(4) 0.4239(10) 0.1146(8) 0.153(6) Uani 1 1 d . U . . .
H22A H 0.423937 0.434101 0.085996 0.230 Uiso 1 1 calc R U . . .
H22B H 0.447364 0.435894 0.152757 0.230 Uiso 1 1 calc R U . . .
H22C H 0.449525 0.376247 0.113459 0.230 Uiso 1 1 calc R U . . .
C23 C 0.6527(4) 0.5488(8) -0.0278(6) 0.108(3) Uani 1 1 d . U . . .
C24 C 0.6388(3) 0.5362(6) 0.0180(5) 0.082(2) Uani 1 1 d . U . . .
C25 C 0.6342(3) 0.4716(6) 0.0302(5) 0.091(2) Uani 1 1 d . U . . .
H25 H 0.639059 0.436328 0.010820 0.109 Uiso 1 1 calc R U . . .
C26 C 0.6220(2) 0.4556(6) 0.0720(5) 0.081(2) Uani 1 1 d . U . . .
C27 C 0.6111(3) 0.3861(6) 0.0757(5) 0.085(2) Uani 1 1 d . U . . .
C28 C 0.6233(3) 0.3283(6) 0.0630(5) 0.097(3) Uani 1 1 d . U . . .
H28 H 0.639818 0.331818 0.051099 0.116 Uiso 1 1 calc R U . . .
C29 C 0.6119(3) 0.2656(7) 0.0671(6) 0.106(3) Uani 1 1 d . U . . .
H29 H 0.619970 0.227266 0.056476 0.128 Uiso 1 1 calc R U . . .
C30 C 0.5880(3) 0.2587(7) 0.0873(6) 0.106(3) Uani 1 1 d . U . . .
C31 C 0.5760(3) 0.3140(6) 0.1003(5) 0.095(3) Uani 1 1 d . U . . .
H31 H 0.559501 0.310098 0.112254 0.115 Uiso 1 1 calc R U . . .
C32 C 0.5878(3) 0.3778(6) 0.0961(5) 0.091(3) Uani 1 1 d . U . . .
H32 H 0.579861 0.415911 0.107396 0.109 Uiso 1 1 calc R U . . .
C33 C 0.5768(4) 0.1879(8) 0.0917(8) 0.148(5) Uani 1 1 d . U . . .
H33A H 0.555629 0.180896 0.061084 0.221 Uiso 1 1 calc R U . . .
H33B H 0.576307 0.182180 0.128970 0.221 Uiso 1 1 calc R U . . .
H33C H 0.591455 0.155427 0.087834 0.221 Uiso 1 1 calc R U . . .
C34 C 0.6304(3) 0.7861(5) 0.1018(5) 0.084(2) Uani 1 1 d . U . . .
H34 H 0.607982 0.784776 0.083604 0.101 Uiso 1 1 calc R U . . .
C35 C 0.6446(3) 0.8472(6) 0.1093(5) 0.095(3) Uani 1 1 d . U . . .
H35 H 0.632271 0.886565 0.097084 0.114 Uiso 1 1 calc R U . . .
C36 C 0.6782(3) 0.8504(6) 0.1357(5) 0.087(2) Uani 1 1 d . U . . .
H36 H 0.688675 0.891854 0.139930 0.104 Uiso 1 1 calc R U . . .
C37 C 0.6954(2) 0.7922(5) 0.1554(4) 0.076(2) Uani 1 1 d . U . . .
C38 C 0.6780(2) 0.7299(5) 0.1451(4) 0.0709(19) Uani 1 1 d . U . . .
C39 C 0.6954(2) 0.6663(5) 0.1653(4) 0.0715(19) Uani 1 1 d . U . . .
C40 C 0.7291(2) 0.6640(5) 0.1909(4) 0.073(2) Uani 1 1 d . U . . .
C41 C 0.7446(3) 0.6009(5) 0.2086(4) 0.080(2) Uani 1 1 d . U . . .
H41 H 0.766965 0.597235 0.225701 0.096 Uiso 1 1 calc R U . . .
C42 C 0.7253(3) 0.5451(6) 0.1995(5) 0.085(3) Uani 1 1 d . U . . .
H42 H 0.734522 0.502174 0.209253 0.102 Uiso 1 1 calc R U . . .
C43 C 0.6932(2) 0.5518(6) 0.1766(4) 0.080(2) Uani 1 1 d . U . . .
H43 H 0.681118 0.512742 0.173376 0.097 Uiso 1 1 calc R U . . .
C44 C 0.7467(2) 0.7274(5) 0.1999(4) 0.076(2) Uani 1 1 d . U . . .
C45 C 0.7313(2) 0.7910(6) 0.1837(4) 0.078(2) Uani 1 1 d . U . . .
C46 C 0.7793(3) 0.8449(6) 0.2165(4) 0.086(2) Uani 1 1 d . U . . .
C47 C 0.7964(3) 0.9091(7) 0.2256(5) 0.101(3) Uani 1 1 d . U . . .
H47 H 0.785777 0.950561 0.214242 0.121 Uiso 1 1 calc R U . . .
C48 C 0.8297(3) 0.9041(8) 0.2523(6) 0.111(3) Uani 1 1 d . U . . .
H48 H 0.841795 0.943862 0.259208 0.134 Uiso 1 1 calc R U . . .
C49 C 0.8459(3) 0.8427(8) 0.2692(6) 0.111(3) Uani 1 1 d . U . . .
H49 H 0.868365 0.842576 0.287764 0.133 Uiso 1 1 calc R U . . .
C50 C 0.8294(3) 0.7815(7) 0.2589(5) 0.101(3) Uani 1 1 d . U . . .
H50 H 0.840475 0.740451 0.268642 0.121 Uiso 1 1 calc R U . . .
C51 C 0.7949(3) 0.7829(6) 0.2329(4) 0.086(2) Uani 1 1 d . U . . .
Dy2 Dy 0.65405(2) 0.02341(3) 0.98907(3) 0.0816(2) Uani 1 1 d . U . . .
F10 F 0.6900(3) -0.0043(5) 1.2132(4) 0.155(3) Uani 1 1 d . U . . .
F11 F 0.6394(2) 0.0031(5) 1.1629(4) 0.150(3) Uani 1 1 d . U . . .
F12 F 0.6662(2) 0.0861(4) 1.2144(4) 0.132(3) Uani 1 1 d . U . . .
F13 F 0.5695(3) -0.0627(7) 1.0434(6) 0.215(5) Uani 1 1 d D U . . .
F14 F 0.5492(4) -0.0761(8) 0.9597(7) 0.256(6) Uani 1 1 d D U . . .
F15 F 0.5321(3) -0.0065(7) 0.9922(6) 0.207(5) Uani 1 1 d D U . . .
F16 F 0.5801(3) -0.0193(8) 0.7420(6) 0.218(5) Uani 1 1 d . U . . .
F17 F 0.5909(4) -0.0923(9) 0.7999(7) 0.266(7) Uani 1 1 d . U . . .
F18 F 0.5611(4) -0.0337(9) 0.8052(7) 0.233(6) Uani 1 1 d . U . . .
O7 O 0.6679(2) 0.0151(4) 1.0909(3) 0.0952(18) Uani 1 1 d . U . . .
O8 O 0.68341(18) 0.1190(4) 1.0356(3) 0.0855(17) Uani 1 1 d . U . . .
O9 O 0.6084(2) -0.0117(4) 1.0000(4) 0.105(2) Uani 1 1 d . U . . .
O10 O 0.61806(19) 0.1124(4) 0.9592(4) 0.103(2) Uani 1 1 d . U . . .
O11 O 0.6211(2) -0.0164(5) 0.8963(4) 0.114(2) Uani 1 1 d . U . . .
O12 O 0.67102(19) 0.0726(4) 0.9231(3) 0.0992(19) Uani 1 1 d . U . . .
N5 N 0.7118(2) -0.0196(4) 1.0248(4) 0.0794(19) Uani 1 1 d . U . . .
N6 N 0.6608(2) -0.1051(5) 0.9919(4) 0.085(2) Uani 1 1 d . U . . .
N7 N 0.7856(2) -0.2087(5) 1.0940(4) 0.086(2) Uani 1 1 d . U . . .
N8 N 0.7322(2) -0.2985(5) 1.0571(4) 0.085(2) Uani 1 1 d . U . . .
C52 C 0.6648(4) 0.0385(7) 1.1774(6) 0.106(3) Uani 1 1 d . U . . .
C53 C 0.6712(3) 0.0625(6) 1.1268(5) 0.087(2) Uani 1 1 d . U . . .
C54 C 0.6809(3) 0.1275(6) 1.1260(5) 0.090(2) Uani 1 1 d . U . . .
H54 H 0.683507 0.156425 1.156809 0.108 Uiso 1 1 calc R U . . .
C55 C 0.6870(3) 0.1518(6) 1.0805(5) 0.087(2) Uani 1 1 d . U . . .
C56 C 0.6984(3) 0.2261(5) 1.0829(5) 0.085(2) Uani 1 1 d . U . . .
C57 C 0.7117(3) 0.2636(6) 1.1328(5) 0.102(3) Uani 1 1 d . U . . .
H57 H 0.713541 0.245218 1.167970 0.123 Uiso 1 1 calc R U . . .
C58 C 0.7218(4) 0.3250(6) 1.1315(6) 0.106(3) Uani 1 1 d . U . . .
H58 H 0.730839 0.348358 1.166829 0.127 Uiso 1 1 calc R U . . .
C59 C 0.7205(4) 0.3583(6) 1.0835(6) 0.107(3) Uani 1 1 d . U . . .
C60 C 0.7054(4) 0.3203(7) 1.0305(6) 0.111(3) Uani 1 1 d . U . . .
H60 H 0.702256 0.340188 0.995053 0.133 Uiso 1 1 calc R U . . .
C61 C 0.6958(3) 0.2565(6) 1.0315(5) 0.099(3) Uani 1 1 d . U . . .
H61 H 0.687107 0.231659 0.996933 0.118 Uiso 1 1 calc R U . . .
C62 C 0.7320(4) 0.4299(7) 1.0820(8) 0.136(5) Uani 1 1 d . U . . .
H62A H 0.739333 0.433558 1.051870 0.203 Uiso 1 1 calc R U . . .
H62B H 0.749336 0.440676 1.119134 0.203 Uiso 1 1 calc R U . . .
H62C H 0.714484 0.461156 1.074157 0.203 Uiso 1 1 calc R U . . .
C63 C 0.5595(4) -0.0254(10) 1.0062(10) 0.143(5) Uani 1 1 d . U . . .
C64 C 0.5817(3) 0.0136(7) 0.9873(6) 0.107(3) Uani 1 1 d . U . . .
C65 C 0.5708(3) 0.0775(8) 0.9639(7) 0.117(3) Uani 1 1 d . U . . .
H65 H 0.550154 0.090363 0.958084 0.140 Uiso 1 1 calc R U . . .
C66 C 0.5895(3) 0.1249(7) 0.9483(6) 0.104(3) Uani 1 1 d . U . . .
C67 C 0.5767(3) 0.1930(7) 0.9215(6) 0.106(3) Uani 1 1 d . U . . .
C68 C 0.5451(4) 0.2110(8) 0.9082(7) 0.128(4) Uani 1 1 d . U . . .
H68 H 0.531837 0.182582 0.917900 0.154 Uiso 1 1 calc R U . . .
C69 C 0.5336(4) 0.2732(8) 0.8797(8) 0.136(4) Uani 1 1 d . U . . .
H69 H 0.512474 0.286312 0.870763 0.163 Uiso 1 1 calc R U . . .
C70 C 0.5528(4) 0.3149(8) 0.8649(8) 0.129(4) Uani 1 1 d . U . . .
C71 C 0.5842(4) 0.2973(8) 0.8826(7) 0.124(4) Uani 1 1 d . U . . .
H71 H 0.598387 0.327188 0.877167 0.149 Uiso 1 1 calc R U . . .
C72 C 0.5951(4) 0.2341(8) 0.9090(6) 0.117(3) Uani 1 1 d . U . . .
H72 H 0.616231 0.221140 0.917980 0.141 Uiso 1 1 calc R U . . .
C73 C 0.5395(5) 0.3783(9) 0.8339(9) 0.163(6) Uani 1 1 d . U . . .
H73A H 0.555047 0.414104 0.850388 0.244 Uiso 1 1 calc R U . . .
H73B H 0.520150 0.389558 0.837735 0.244 Uiso 1 1 calc R U . . .
H73C H 0.534743 0.372986 0.793303 0.244 Uiso 1 1 calc R U . . .
C74 C 0.5868(5) -0.0296(11) 0.7981(9) 0.144(5) Uani 1 1 d . U . . .
C75 C 0.6138(3) 0.0062(8) 0.8439(7) 0.117(3) Uani 1 1 d . U . . .
C76 C 0.6286(4) 0.0610(8) 0.8299(6) 0.124(3) Uani 1 1 d . U . . .
H76 H 0.619497 0.076552 0.791495 0.148 Uiso 1 1 calc R U . . .
C77 C 0.6563(3) 0.0941(7) 0.8699(6) 0.117(3) Uani 1 1 d D U . . .
C78 C 0.6710(3) 0.1539(6) 0.8538(5) 0.135(4) Uani 1 1 d D U . . .
C79 C 0.6585(3) 0.1792(7) 0.7984(5) 0.147(4) Uani 1 1 d D U . . .
H79 H 0.641594 0.156904 0.768474 0.176 Uiso 1 1 calc R U . . .
C80 C 0.6711(4) 0.2386(7) 0.7871(5) 0.173(5) Uani 1 1 d D U . . .
H80 H 0.662313 0.256349 0.749459 0.207 Uiso 1 1 calc R U . . .
C81 C 0.6961(4) 0.2713(8) 0.8300(6) 0.176(5) Uani 1 1 d D U . . .
C82 C 0.7089(4) 0.2451(8) 0.8858(5) 0.165(5) Uani 1 1 d D U . . .
H82 H 0.725569 0.267479 0.916074 0.198 Uiso 1 1 calc R U . . .
C83 C 0.6966(3) 0.1853(7) 0.8963(5) 0.140(4) Uani 1 1 d D U . . .
H83 H 0.706058 0.165974 0.933404 0.167 Uiso 1 1 calc R U . . .
C84 C 0.7092(5) 0.3403(8) 0.8208(8) 0.199(8) Uani 1 1 d D U . . .
H84A H 0.698427 0.353050 0.780342 0.299 Uiso 1 1 calc R U . . .
H84B H 0.731977 0.336525 0.831837 0.299 Uiso 1 1 calc R U . . .
H84C H 0.705484 0.374289 0.844421 0.299 Uiso 1 1 calc R U . . .
C85 C 0.7375(3) 0.0212(6) 1.0405(5) 0.085(2) Uani 1 1 d . U . . .
H85 H 0.733548 0.067496 1.034100 0.102 Uiso 1 1 calc R U . . .
C86 C 0.7690(3) 0.0010(6) 1.0650(5) 0.090(3) Uani 1 1 d . U . . .
H86 H 0.785646 0.032496 1.074461 0.107 Uiso 1 1 calc R U . . .
C87 C 0.7755(3) -0.0677(6) 1.0753(5) 0.081(2) Uani 1 1 d . U . . .
H87 H 0.796654 -0.083358 1.092742 0.098 Uiso 1 1 calc R U . . .
C88 C 0.7501(2) -0.1124(5) 1.0593(4) 0.075(2) Uani 1 1 d . U . . .
C89 C 0.7185(2) -0.0872(5) 1.0349(4) 0.0732(19) Uani 1 1 d . U . . .
C90 C 0.6910(2) -0.1343(5) 1.0159(4) 0.075(2) Uani 1 1 d . U . . .
C91 C 0.6953(2) -0.2032(6) 1.0221(4) 0.080(2) Uani 1 1 d . U . . .
C92 C 0.6688(3) -0.2439(6) 1.0022(5) 0.089(3) Uani 1 1 d . U . . .
H92 H 0.671165 -0.290840 1.005757 0.106 Uiso 1 1 calc R U . . .
C93 C 0.6392(3) -0.2164(6) 0.9775(5) 0.093(3) Uani 1 1 d . U . . .
H93 H 0.621087 -0.244409 0.963806 0.112 Uiso 1 1 calc R U . . .
C94 C 0.6354(3) -0.1470(6) 0.9722(5) 0.087(2) Uani 1 1 d . U . . .
H94 H 0.614763 -0.128780 0.954573 0.104 Uiso 1 1 calc R U . . .
C95 C 0.7544(2) -0.1864(5) 1.0673(4) 0.075(2) Uani 1 1 d . U . . .
C96 C 0.7288(3) -0.2303(6) 1.0493(4) 0.079(2) Uani 1 1 d . U . . .
C97 C 0.7897(3) -0.2776(6) 1.1010(5) 0.089(2) Uani 1 1 d . U . . .
C98 C 0.8208(3) -0.3047(7) 1.1287(5) 0.101(3) Uani 1 1 d . U . . .
H98 H 0.838627 -0.275989 1.140967 0.122 Uiso 1 1 calc R U . . .
C99 C 0.8251(4) -0.3731(7) 1.1377(6) 0.111(3) Uani 1 1 d . U . . .
H99 H 0.845742 -0.391045 1.156290 0.133 Uiso 1 1 calc R U . . .
C100 C 0.7990(4) -0.4147(8) 1.1194(5) 0.112(3) Uani 1 1 d . U . . .
H100 H 0.802354 -0.461187 1.125938 0.134 Uiso 1 1 calc R U . . .
C101 C 0.7688(3) -0.3917(7) 1.0923(5) 0.100(3) Uani 1 1 d . U . . .
H101 H 0.751685 -0.422336 1.079484 0.119 Uiso 1 1 calc R U . . .
C102 C 0.7625(3) -0.3208(6) 1.0830(4) 0.088(2) Uani 1 1 d . U . . .
F1 F 0.6522(3) 0.5370(6) 0.3154(4) 0.191(5) Uani 1 1 d . U . . .
F4 F 0.5088(3) 0.7193(7) -0.0781(6) 0.240(6) Uani 1 1 d . U . . .
F3 F 0.6072(4) 0.5604(7) 0.3206(6) 0.211(4) Uani 1 1 d . U . . .
F5 F 0.5516(3) 0.7629(7) -0.0511(7) 0.224(5) Uani 1 1 d . U . . .
C12 C 0.5336(4) 0.7296(9) -0.0378(8) 0.131(4) Uani 1 1 d . U . . .
F2 F 0.6101(4) 0.4937(8) 0.2681(7) 0.205(5) Uani 1 1 d . U . . .
C1 C 0.6261(5) 0.5550(10) 0.2918(8) 0.135(4) Uani 1 1 d . U . . .
F6 F 0.5217(4) 0.7827(7) -0.0174(6) 0.220(5) Uani 1 1 d . 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 2.296(7) . ?
Dy1 O3 2.302(7) . ?
Dy1 O6 2.308(8) . ?
Dy1 O4 2.311(7) . ?
Dy1 O2 2.318(7) . ?
Dy1 O5 2.364(7) . ?
Dy1 N2 2.554(8) . ?
Dy1 N1 2.590(7) . ?
F7 C23 1.301(17) . ?
F8 C23 1.358(15) . ?
F9 C23 1.334(15) . ?
O1 C2 1.244(14) . ?
O2 C4 1.240(12) . ?
O3 C13 1.280(13) . ?
O4 C15 1.260(12) . ?
O5 C24 1.256(12) . ?
O6 C26 1.247(12) . ?
N1 C43 1.299(12) . ?
N1 C39 1.365(12) . ?
N2 C34 1.324(13) . ?
N2 C38 1.334(12) . ?
N3 C51 1.329(13) . ?
N3 C44 1.359(12) . ?
N4 C45 1.282(13) . ?
N4 C46 1.359(14) . ?
C2 C3 1.361(17) . ?
C2 C1 1.57(2) . ?
C3 C4 1.443(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.448(16) . ?
C5 C10 1.342(16) . ?
C5 C6 1.409(16) . ?
C6 C7 1.396(17) . ?
C6 H6 0.9300 . ?
C7 C8 1.352(19) . ?
C7 H7 0.9300 . ?
C8 C9 1.330(19) . ?
C8 C11 1.506(17) . ?
C9 C10 1.410(17) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C13 C14 1.337(17) . ?
C13 C12 1.509(19) . ?
C14 C15 1.403(17) . ?
C14 H14 0.9300 . ?
C15 C16 1.486(17) . ?
C16 C21 1.366(16) . ?
C16 C17 1.373(18) . ?
C17 C18 1.423(18) . ?
C17 H17 0.9300 . ?
C18 C19 1.386(18) . ?
C18 H18 0.9300 . ?
C19 C20 1.34(2) . ?
C19 C22 1.53(2) . ?
C20 C21 1.346(19) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.561(17) . ?
C24 C25 1.346(15) . ?
C25 C26 1.426(16) . ?
C25 H25 0.9300 . ?
C26 C27 1.473(15) . ?
C27 C28 1.365(15) . ?
C27 C32 1.377(16) . ?
C28 C29 1.360(17) . ?
C28 H28 0.9300 . ?
C29 C30 1.395(19) . ?
C29 H29 0.9300 . ?
C30 C31 1.323(17) . ?
C30 C33 1.504(18) . ?
C31 C32 1.389(16) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.340(15) . ?
C34 H34 0.9300 . ?
C35 C36 1.395(15) . ?
C35 H35 0.9300 . ?
C36 C37 1.359(14) . ?
C36 H36 0.9300 . ?
C37 C38 1.424(14) . ?
C37 C45 1.488(14) . ?
C38 C39 1.452(13) . ?
C39 C40 1.397(13) . ?
C40 C41 1.406(14) . ?
C40 C44 1.450(14) . ?
C41 C42 1.365(15) . ?
C41 H41 0.9300 . ?
C42 C43 1.337(14) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C44 C45 1.409(14) . ?
C46 C51 1.385(16) . ?
C46 C47 1.453(16) . ?
C47 C48 1.385(18) . ?
C47 H47 0.9300 . ?
C48 C49 1.386(19) . ?
C48 H48 0.9300 . ?
C49 C50 1.387(17) . ?
C49 H49 0.9300 . ?
C50 C51 1.429(16) . ?
C50 H50 0.9300 . ?
Dy2 O10 2.301(8) . ?
Dy2 O11 2.318(9) . ?
Dy2 O8 2.320(7) . ?
Dy2 O12 2.330(8) . ?
Dy2 O9 2.327(9) . ?
Dy2 O7 2.381(8) . ?
Dy2 N6 2.543(9) . ?
Dy2 N5 2.551(8) . ?
F10 C52 1.405(17) . ?
F11 C52 1.268(15) . ?
F12 C52 1.304(14) . ?
F13 C63 1.124(18) . ?
F14 C63 1.46(3) . ?
F15 C63 1.213(19) . ?
F16 C74 1.33(2) . ?
F17 C74 1.24(2) . ?
F18 C74 1.27(2) . ?
O7 C53 1.263(12) . ?
O8 C55 1.252(12) . ?
O9 C64 1.232(14) . ?
O10 C66 1.241(14) . ?
O11 C75 1.300(17) . ?
O12 C77 1.292(14) . ?
N5 C85 1.337(13) . ?
N5 C89 1.363(13) . ?
N6 C94 1.334(13) . ?
N6 C90 1.380(13) . ?
N7 C95 1.369(12) . ?
N7 C97 1.368(14) . ?
N8 C102 1.335(14) . ?
N8 C96 1.356(13) . ?
C52 C53 1.507(16) . ?
C53 C54 1.357(15) . ?
C54 C55 1.380(15) . ?
C54 H54 0.9300 . ?
C55 C56 1.544(15) . ?
C56 C57 1.361(15) . ?
C56 C61 1.388(15) . ?
C57 C58 1.299(16) . ?
C57 H57 0.9300 . ?
C58 C59 1.357(17) . ?
C58 H58 0.9300 . ?
C59 C60 1.430(18) . ?
C59 C62 1.510(19) . ?
C60 C61 1.335(17) . ?
C60 H60 0.9300 . ?
C61 H61 0.9300 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 C64 1.51(2) . ?
C64 C65 1.388(18) . ?
C65 C66 1.431(19) . ?
C65 H65 0.9300 . ?
C66 C67 1.501(18) . ?
C67 C72 1.303(19) . ?
C67 C68 1.389(18) . ?
C68 C69 1.40(2) . ?
C68 H68 0.9300 . ?
C69 C70 1.37(2) . ?
C69 H69 0.9300 . ?
C70 C71 1.36(2) . ?
C70 C73 1.46(2) . ?
C71 C72 1.398(19) . ?
C71 H71 0.9300 . ?
C72 H72 0.9300 . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
C74 C75 1.46(2) . ?
C75 C76 1.40(2) . ?
C76 C77 1.401(19) . ?
C76 H76 0.9300 . ?
C77 C78 1.496(9) . ?
C78 C83 1.354(8) . ?
C78 C79 1.360(8) . ?
C79 C80 1.387(8) . ?
C79 H79 0.9300 . ?
C80 C81 1.356(8) . ?
C80 H80 0.9300 . ?
C81 C82 1.377(8) . ?
C81 C84 1.542(10) . ?
C82 C83 1.378(8) . ?
C82 H82 0.9300 . ?
C83 H83 0.9300 . ?
C84 H84A 0.9600 . ?
C84 H84B 0.9600 . ?
C84 H84C 0.9600 . ?
C85 C86 1.365(15) . ?
C85 H85 0.9300 . ?
C86 C87 1.384(15) . ?
C86 H86 0.9300 . ?
C87 C88 1.376(14) . ?
C87 H87 0.9300 . ?
C88 C89 1.400(13) . ?
C88 C95 1.470(14) . ?
C89 C90 1.470(14) . ?
C90 C91 1.368(14) . ?
C91 C92 1.361(15) . ?
C91 C96 1.486(14) . ?
C92 C93 1.342(16) . ?
C92 H92 0.9300 . ?
C93 C94 1.375(15) . ?
C93 H93 0.9300 . ?
C94 H94 0.9300 . ?
C95 C96 1.370(15) . ?
C97 C98 1.400(15) . ?
C97 C102 1.412(17) . ?
C98 C99 1.364(17) . ?
C98 H98 0.9300 . ?
C99 C100 1.36(2) . ?
C99 H99 0.9300 . ?
C100 C101 1.335(17) . ?
C100 H100 0.9300 . ?
C101 C102 1.423(16) . ?
C101 H101 0.9300 . ?
F1 C1 1.14(2) . ?
F4 C12 1.174(17) . ?
F3 C1 1.355(19) . ?
F5 C12 1.212(19) . ?
C12 F6 1.38(2) . ?
F2 C1 1.41(2) . ?

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 143.5(3) . . ?
O1 Dy1 O6 79.4(3) . . ?
O3 Dy1 O6 118.3(3) . . ?
O1 Dy1 O4 83.2(3) . . ?
O3 Dy1 O4 73.8(3) . . ?
O6 Dy1 O4 72.5(3) . . ?
O1 Dy1 O2 72.1(2) . . ?
O3 Dy1 O2 75.4(3) . . ?
O6 Dy1 O2 140.6(3) . . ?
O4 Dy1 O2 77.5(3) . . ?
O1 Dy1 O5 138.8(2) . . ?
O3 Dy1 O5 77.5(3) . . ?
O6 Dy1 O5 72.6(3) . . ?
O4 Dy1 O5 115.1(3) . . ?
O2 Dy1 O5 145.2(3) . . ?
O1 Dy1 N2 103.1(3) . . ?
O3 Dy1 N2 81.4(3) . . ?
O6 Dy1 N2 143.5(3) . . ?
O4 Dy1 N2 143.9(3) . . ?
O2 Dy1 N2 71.0(3) . . ?
O5 Dy1 N2 83.7(3) . . ?
O1 Dy1 N1 74.9(3) . . ?
O3 Dy1 N1 135.4(3) . . ?
O6 Dy1 N1 82.6(2) . . ?
O4 Dy1 N1 149.4(3) . . ?
O2 Dy1 N1 114.4(3) . . ?
O5 Dy1 N1 72.1(3) . . ?
N2 Dy1 N1 63.7(2) . . ?
C2 O1 Dy1 131.4(7) . . ?
C4 O2 Dy1 140.1(8) . . ?
C13 O3 Dy1 131.1(8) . . ?
C15 O4 Dy1 135.9(8) . . ?
C24 O5 Dy1 131.5(7) . . ?
C26 O6 Dy1 138.9(7) . . ?
C43 N1 C39 117.5(8) . . ?
C43 N1 Dy1 123.3(7) . . ?
C39 N1 Dy1 119.2(6) . . ?
C34 N2 C38 117.2(9) . . ?
C34 N2 Dy1 121.1(7) . . ?
C38 N2 Dy1 121.4(6) . . ?
C51 N3 C44 116.0(9) . . ?
C45 N4 C46 117.3(10) . . ?
O1 C2 C3 130.5(12) . . ?
O1 C2 C1 111.8(11) . . ?
C3 C2 C1 117.7(13) . . ?
C2 C3 C4 122.1(13) . . ?
C2 C3 H3 118.9 . . ?
C4 C3 H3 118.9 . . ?
O2 C4 C3 119.0(11) . . ?
O2 C4 C5 119.3(11) . . ?
C3 C4 C5 121.4(11) . . ?
C10 C5 C6 115.7(12) . . ?
C10 C5 C4 120.1(11) . . ?
C6 C5 C4 124.2(11) . . ?
C7 C6 C5 119.7(13) . . ?
C7 C6 H6 120.1 . . ?
C5 C6 H6 120.2 . . ?
C8 C7 C6 122.8(14) . . ?
C8 C7 H7 118.6 . . ?
C6 C7 H7 118.6 . . ?
C9 C8 C7 117.7(13) . . ?
C9 C8 C11 122.0(14) . . ?
C7 C8 C11 120.3(14) . . ?
C8 C9 C10 120.9(14) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 H9 119.5 . . ?
C5 C10 C9 123.2(13) . . ?
C5 C10 H10 118.4 . . ?
C9 C10 H10 118.4 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O3 C13 C14 129.6(12) . . ?
O3 C13 C12 111.0(12) . . ?
C14 C13 C12 119.3(12) . . ?
C13 C14 C15 123.2(12) . . ?
C13 C14 H14 118.4 . . ?
C15 C14 H14 118.4 . . ?
O4 C15 C14 123.3(11) . . ?
O4 C15 C16 115.5(11) . . ?
C14 C15 C16 121.1(11) . . ?
C21 C16 C17 115.8(13) . . ?
C21 C16 C15 125.0(12) . . ?
C17 C16 C15 119.2(11) . . ?
C16 C17 C18 122.0(12) . . ?
C16 C17 H17 119.0 . . ?
C18 C17 H17 119.0 . . ?
C19 C18 C17 118.2(14) . . ?
C19 C18 H18 120.9 . . ?
C17 C18 H18 120.9 . . ?
C20 C19 C18 118.8(14) . . ?
C20 C19 C22 120.4(14) . . ?
C18 C19 C22 120.6(15) . . ?
C19 C20 C21 121.8(14) . . ?
C19 C20 H20 119.1 . . ?
C21 C20 H20 119.1 . . ?
C20 C21 C16 123.3(14) . . ?
C20 C21 H21 118.3 . . ?
C16 C21 H21 118.3 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
F7 C23 F9 111.1(12) . . ?
F7 C23 F8 104.7(13) . . ?
F9 C23 F8 104.5(12) . . ?
F7 C23 C24 113.3(12) . . ?
F9 C23 C24 113.5(13) . . ?
F8 C23 C24 109.0(11) . . ?
O5 C24 C25 131.0(11) . . ?
O5 C24 C23 110.6(11) . . ?
C25 C24 C23 118.4(11) . . ?
C24 C25 C26 121.9(11) . . ?
C24 C25 H25 119.0 . . ?
C26 C25 H25 119.0 . . ?
O6 C26 C25 121.9(11) . . ?
O6 C26 C27 118.0(10) . . ?
C25 C26 C27 120.1(10) . . ?
C28 C27 C32 116.8(11) . . ?
C28 C27 C26 125.1(11) . . ?
C32 C27 C26 118.1(10) . . ?
C29 C28 C27 121.8(13) . . ?
C29 C28 H28 119.1 . . ?
C27 C28 H28 119.1 . . ?
C28 C29 C30 120.2(13) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C31 C30 C29 119.0(12) . . ?
C31 C30 C33 123.4(14) . . ?
C29 C30 C33 117.5(14) . . ?
C30 C31 C32 120.4(12) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C31 C32 C27 121.6(11) . . ?
C31 C32 H32 119.2 . . ?
C27 C32 H32 119.2 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N2 C34 C35 125.0(10) . . ?
N2 C34 H34 117.5 . . ?
C35 C34 H34 117.5 . . ?
C34 C35 C36 118.5(11) . . ?
C34 C35 H35 120.7 . . ?
C36 C35 H35 120.7 . . ?
C37 C36 C35 119.2(11) . . ?
C37 C36 H36 120.4 . . ?
C35 C36 H36 120.4 . . ?
C36 C37 C38 117.8(9) . . ?
C36 C37 C45 122.6(10) . . ?
C38 C37 C45 119.5(9) . . ?
N2 C38 C37 122.2(9) . . ?
N2 C38 C39 118.0(9) . . ?
C37 C38 C39 119.7(9) . . ?
N1 C39 C40 120.9(9) . . ?
N1 C39 C38 117.6(8) . . ?
C40 C39 C38 121.5(9) . . ?
C39 C40 C41 119.0(9) . . ?
C39 C40 C44 118.5(9) . . ?
C41 C40 C44 122.5(9) . . ?
C42 C41 C40 116.8(9) . . ?
C42 C41 H41 121.6 . . ?
C40 C41 H41 121.6 . . ?
C43 C42 C41 120.6(10) . . ?
C43 C42 H42 119.7 . . ?
C41 C42 H42 119.7 . . ?
N1 C43 C42 125.1(11) . . ?
N1 C43 H43 117.5 . . ?
C42 C43 H43 117.5 . . ?
N3 C44 C45 119.8(9) . . ?
N3 C44 C40 117.4(9) . . ?
C45 C44 C40 122.8(9) . . ?
N4 C45 C44 123.6(10) . . ?
N4 C45 C37 118.6(10) . . ?
C44 C45 C37 117.8(9) . . ?
N4 C46 C51 120.1(10) . . ?
N4 C46 C47 117.1(11) . . ?
C51 C46 C47 122.8(11) . . ?
C48 C47 C46 115.1(13) . . ?
C48 C47 H47 122.4 . . ?
C46 C47 H47 122.4 . . ?
C49 C48 C47 123.1(13) . . ?
C49 C48 H48 118.4 . . ?
C47 C48 H48 118.4 . . ?
C48 C49 C50 121.3(13) . . ?
C48 C49 H49 119.4 . . ?
C50 C49 H49 119.4 . . ?
C49 C50 C51 118.6(13) . . ?
C49 C50 H50 120.7 . . ?
C51 C50 H50 120.7 . . ?
N3 C51 C46 123.2(10) . . ?
N3 C51 C50 117.9(11) . . ?
C46 C51 C50 118.9(11) . . ?
O10 Dy2 O11 81.8(3) . . ?
O10 Dy2 O8 74.3(3) . . ?
O11 Dy2 O8 140.7(3) . . ?
O10 Dy2 O12 82.0(3) . . ?
O11 Dy2 O12 71.9(3) . . ?
O8 Dy2 O12 74.2(3) . . ?
O10 Dy2 O9 73.2(3) . . ?
O11 Dy2 O9 77.8(3) . . ?
O8 Dy2 O9 122.5(3) . . ?
O12 Dy2 O9 143.1(3) . . ?
O10 Dy2 O7 103.4(3) . . ?
O11 Dy2 O7 146.1(3) . . ?
O8 Dy2 O7 71.2(3) . . ?
O12 Dy2 O7 141.8(3) . . ?
O9 Dy2 O7 72.0(3) . . ?
O10 Dy2 N6 145.7(3) . . ?
O11 Dy2 N6 73.2(3) . . ?
O8 Dy2 N6 139.0(3) . . ?
O12 Dy2 N6 111.1(3) . . ?
O9 Dy2 N6 78.8(3) . . ?
O7 Dy2 N6 85.9(3) . . ?
O10 Dy2 N5 149.3(3) . . ?
O11 Dy2 N5 112.1(3) . . ?
O8 Dy2 N5 78.4(3) . . ?
O12 Dy2 N5 77.2(3) . . ?
O9 Dy2 N5 135.2(3) . . ?
O7 Dy2 N5 80.6(3) . . ?
N6 Dy2 N5 64.2(3) . . ?
C53 O7 Dy2 128.3(7) . . ?
C55 O8 Dy2 134.4(7) . . ?
C64 O9 Dy2 133.9(9) . . ?
C66 O10 Dy2 139.8(9) . . ?
C75 O11 Dy2 133.6(10) . . ?
C77 O12 Dy2 134.1(8) . . ?
C85 N5 C89 115.5(9) . . ?
C85 N5 Dy2 123.8(7) . . ?
C89 N5 Dy2 120.4(7) . . ?
C94 N6 C90 117.2(10) . . ?
C94 N6 Dy2 121.8(7) . . ?
C90 N6 Dy2 120.9(7) . . ?
C95 N7 C97 115.9(10) . . ?
C102 N8 C96 115.3(10) . . ?
F11 C52 F12 111.1(13) . . ?
F11 C52 F10 104.9(13) . . ?
F12 C52 F10 101.1(11) . . ?
F11 C52 C53 114.4(12) . . ?
F12 C52 C53 114.7(12) . . ?
F10 C52 C53 109.2(12) . . ?
O7 C53 C54 128.7(11) . . ?
O7 C53 C52 111.8(11) . . ?
C54 C53 C52 119.4(11) . . ?
C53 C54 C55 121.4(11) . . ?
C53 C54 H54 119.3 . . ?
C55 C54 H54 119.3 . . ?
O8 C55 C54 125.6(11) . . ?
O8 C55 C56 115.8(10) . . ?
C54 C55 C56 118.6(10) . . ?
C57 C56 C61 117.4(11) . . ?
C57 C56 C55 124.1(10) . . ?
C61 C56 C55 118.5(10) . . ?
C58 C57 C56 120.3(12) . . ?
C58 C57 H57 119.9 . . ?
C56 C57 H57 119.9 . . ?
C57 C58 C59 126.2(13) . . ?
C57 C58 H58 116.9 . . ?
C59 C58 H58 116.9 . . ?
C58 C59 C60 114.0(12) . . ?
C58 C59 C62 126.1(13) . . ?
C60 C59 C62 119.9(13) . . ?
C61 C60 C59 120.3(13) . . ?
C61 C60 H60 119.9 . . ?
C59 C60 H60 119.9 . . ?
C60 C61 C56 121.8(12) . . ?
C60 C61 H61 119.1 . . ?
C56 C61 H61 119.1 . . ?
C59 C62 H62A 109.5 . . ?
C59 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C59 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
F13 C63 F15 117(2) . . ?
F13 C63 F14 95.9(16) . . ?
F15 C63 F14 92.0(14) . . ?
F13 C63 C64 120.6(17) . . ?
F15 C63 C64 120.6(16) . . ?
F14 C63 C64 97.1(17) . . ?
O9 C64 C65 127.9(13) . . ?
O9 C64 C63 116.2(13) . . ?
C65 C64 C63 115.4(14) . . ?
C64 C65 C66 124.0(13) . . ?
C64 C65 H65 118.0 . . ?
C66 C65 H65 118.0 . . ?
O10 C66 C65 120.6(12) . . ?
O10 C66 C67 116.7(13) . . ?
C65 C66 C67 122.7(12) . . ?
C72 C67 C68 120.1(14) . . ?
C72 C67 C66 119.6(13) . . ?
C68 C67 C66 120.2(14) . . ?
C67 C68 C69 118.1(16) . . ?
C67 C68 H68 120.9 . . ?
C69 C68 H68 120.9 . . ?
C70 C69 C68 121.3(16) . . ?
C70 C69 H69 119.4 . . ?
C68 C69 H69 119.4 . . ?
C71 C70 C69 118.2(15) . . ?
C71 C70 C73 122.2(18) . . ?
C69 C70 C73 119.4(16) . . ?
C70 C71 C72 119.9(16) . . ?
C70 C71 H71 120.1 . . ?
C72 C71 H71 120.1 . . ?
C67 C72 C71 122.0(15) . . ?
C67 C72 H72 119.0 . . ?
C71 C72 H72 119.0 . . ?
C70 C73 H73A 109.5 . . ?
C70 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C70 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
F17 C74 F18 94(2) . . ?
F17 C74 F16 98.8(19) . . ?
F18 C74 F16 110.6(17) . . ?
F17 C74 C75 112.6(16) . . ?
F18 C74 C75 116(2) . . ?
F16 C74 C75 120(2) . . ?
O11 C75 C76 125.5(14) . . ?
O11 C75 C74 113.9(17) . . ?
C76 C75 C74 120.6(16) . . ?
C77 C76 C75 124.3(13) . . ?
C77 C76 H76 117.8 . . ?
C75 C76 H76 117.8 . . ?
O12 C77 C76 120.6(12) . . ?
O12 C77 C78 116.5(11) . . ?
C76 C77 C78 122.9(13) . . ?
C83 C78 C79 119.5(7) . . ?
C83 C78 C77 118.6(10) . . ?
C79 C78 C77 121.8(10) . . ?
C78 C79 C80 119.3(7) . . ?
C78 C79 H79 120.3 . . ?
C80 C79 H79 120.3 . . ?
C81 C80 C79 121.3(7) . . ?
C81 C80 H80 119.4 . . ?
C79 C80 H80 119.4 . . ?
C80 C81 C82 119.1(7) . . ?
C80 C81 C84 123.2(12) . . ?
C82 C81 C84 117.5(12) . . ?
C81 C82 C83 119.1(7) . . ?
C81 C82 H82 120.4 . . ?
C83 C82 H82 120.4 . . ?
C78 C83 C82 121.5(7) . . ?
C78 C83 H83 119.3 . . ?
C82 C83 H83 119.3 . . ?
C81 C84 H84A 109.5 . . ?
C81 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C81 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
N5 C85 C86 126.0(11) . . ?
N5 C85 H85 117.0 . . ?
C86 C85 H85 117.0 . . ?
C85 C86 C87 117.9(11) . . ?
C85 C86 H86 121.0 . . ?
C87 C86 H86 121.0 . . ?
C88 C87 C86 118.8(10) . . ?
C88 C87 H87 120.6 . . ?
C86 C87 H87 120.6 . . ?
C87 C88 C89 119.3(10) . . ?
C87 C88 C95 123.0(9) . . ?
C89 C88 C95 117.7(9) . . ?
N5 C89 C88 122.3(9) . . ?
N5 C89 C90 117.5(9) . . ?
C88 C89 C90 120.1(10) . . ?
C91 C90 N6 122.1(10) . . ?
C91 C90 C89 121.6(9) . . ?
N6 C90 C89 116.2(9) . . ?
C90 C91 C92 118.5(10) . . ?
C90 C91 C96 118.6(10) . . ?
C92 C91 C96 122.9(11) . . ?
C93 C92 C91 120.2(11) . . ?
C93 C92 H92 119.9 . . ?
C91 C92 H92 119.9 . . ?
C92 C93 C94 120.2(11) . . ?
C92 C93 H93 119.9 . . ?
C94 C93 H93 119.9 . . ?
N6 C94 C93 121.7(11) . . ?
N6 C94 H94 119.2 . . ?
C93 C94 H94 119.2 . . ?
C96 C95 N7 122.0(10) . . ?
C96 C95 C88 122.1(9) . . ?
N7 C95 C88 115.9(9) . . ?
N8 C96 C95 123.1(10) . . ?
N8 C96 C91 117.0(10) . . ?
C95 C96 C91 119.8(10) . . ?
N7 C97 C98 119.6(12) . . ?
N7 C97 C102 120.2(10) . . ?
C98 C97 C102 120.1(12) . . ?
C99 C98 C97 120.1(14) . . ?
C99 C98 H98 120.0 . . ?
C97 C98 H98 120.0 . . ?
C100 C99 C98 119.8(14) . . ?
C100 C99 H99 120.1 . . ?
C98 C99 H99 120.1 . . ?
C101 C100 C99 122.7(15) . . ?
C101 C100 H100 118.6 . . ?
C99 C100 H100 118.6 . . ?
C100 C101 C102 120.5(14) . . ?
C100 C101 H101 119.8 . . ?
C102 C101 H101 119.7 . . ?
N8 C102 C101 119.8(12) . . ?
N8 C102 C97 123.4(11) . . ?
C101 C102 C97 116.7(11) . . ?
F4 C12 F5 111.9(19) . . ?
F4 C12 F6 93.8(15) . . ?
F5 C12 F6 96.9(16) . . ?
F4 C12 C13 119.3(16) . . ?
F5 C12 C13 120.1(14) . . ?
F6 C12 C13 108.1(16) . . ?
F1 C1 F3 120.7(18) . . ?
F1 C1 F2 101.3(17) . . ?
F3 C1 F2 87.6(17) . . ?
F1 C1 C2 119.9(18) . . ?
F3 C1 C2 113.4(15) . . ?
F2 C1 C2 105.1(16) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C2 C3 -17(3) . . . . ?
Dy1 O1 C2 C1 161.7(11) . . . . ?
O1 C2 C3 C4 -5(3) . . . . ?
C1 C2 C3 C4 176.3(15) . . . . ?
Dy1 O2 C4 C3 9(2) . . . . ?
Dy1 O2 C4 C5 -165.9(8) . . . . ?
C2 C3 C4 O2 9(2) . . . . ?
C2 C3 C4 C5 -175.7(14) . . . . ?
O2 C4 C5 C10 4(2) . . . . ?
C3 C4 C5 C10 -170.7(14) . . . . ?
O2 C4 C5 C6 -172.6(13) . . . . ?
C3 C4 C5 C6 13(2) . . . . ?
C10 C5 C6 C7 2(2) . . . . ?
C4 C5 C6 C7 179.3(13) . . . . ?
C5 C6 C7 C8 -1(2) . . . . ?
C6 C7 C8 C9 -1(2) . . . . ?
C6 C7 C8 C11 177.2(14) . . . . ?
C7 C8 C9 C10 2(2) . . . . ?
C11 C8 C9 C10 -176.1(14) . . . . ?
C6 C5 C10 C9 -1(2) . . . . ?
C4 C5 C10 C9 -178.4(13) . . . . ?
C8 C9 C10 C5 -1(2) . . . . ?
Dy1 O3 C13 C14 -13(2) . . . . ?
Dy1 O3 C13 C12 169.1(10) . . . . ?
O3 C13 C14 C15 -3(3) . . . . ?
C12 C13 C14 C15 174.4(15) . . . . ?
Dy1 O4 C15 C14 11(2) . . . . ?
Dy1 O4 C15 C16 -169.3(8) . . . . ?
C13 C14 C15 O4 5(2) . . . . ?
C13 C14 C15 C16 -175.2(14) . . . . ?
O4 C15 C16 C21 -163.7(13) . . . . ?
C14 C15 C16 C21 16(2) . . . . ?
O4 C15 C16 C17 15(2) . . . . ?
C14 C15 C16 C17 -164.6(15) . . . . ?
C21 C16 C17 C18 3(2) . . . . ?
C15 C16 C17 C18 -176.4(14) . . . . ?
C16 C17 C18 C19 -2(2) . . . . ?
C17 C18 C19 C20 -1(2) . . . . ?
C17 C18 C19 C22 -175.0(15) . . . . ?
C18 C19 C20 C21 3(3) . . . . ?
C22 C19 C20 C21 177.3(16) . . . . ?
C19 C20 C21 C16 -3(3) . . . . ?
C17 C16 C21 C20 -1(2) . . . . ?
C15 C16 C21 C20 178.7(16) . . . . ?
Dy1 O5 C24 C25 8.3(18) . . . . ?
Dy1 O5 C24 C23 -174.6(7) . . . . ?
F7 C23 C24 O5 -45.3(15) . . . . ?
F9 C23 C24 O5 -173.2(11) . . . . ?
F8 C23 C24 O5 70.8(14) . . . . ?
F7 C23 C24 C25 132.2(13) . . . . ?
F9 C23 C24 C25 4.3(17) . . . . ?
F8 C23 C24 C25 -111.7(13) . . . . ?
O5 C24 C25 C26 -4(2) . . . . ?
C23 C24 C25 C26 179.2(11) . . . . ?
Dy1 O6 C26 C25 21.3(16) . . . . ?
Dy1 O6 C26 C27 -156.4(7) . . . . ?
C24 C25 C26 O6 -10.0(17) . . . . ?
C24 C25 C26 C27 167.6(10) . . . . ?
O6 C26 C27 C28 -151.8(11) . . . . ?
C25 C26 C27 C28 30.5(17) . . . . ?
O6 C26 C27 C32 25.0(15) . . . . ?
C25 C26 C27 C32 -152.7(11) . . . . ?
C32 C27 C28 C29 3.4(18) . . . . ?
C26 C27 C28 C29 -179.7(11) . . . . ?
C27 C28 C29 C30 -3(2) . . . . ?
C28 C29 C30 C31 2(2) . . . . ?
C28 C29 C30 C33 -179.1(13) . . . . ?
C29 C30 C31 C32 -2.6(19) . . . . ?
C33 C30 C31 C32 179.0(13) . . . . ?
C30 C31 C32 C27 3.4(19) . . . . ?
C28 C27 C32 C31 -3.7(18) . . . . ?
C26 C27 C32 C31 179.3(11) . . . . ?
C38 N2 C34 C35 1.0(17) . . . . ?
Dy1 N2 C34 C35 174.4(10) . . . . ?
N2 C34 C35 C36 0.8(19) . . . . ?
C34 C35 C36 C37 -2.9(18) . . . . ?
C35 C36 C37 C38 3.0(16) . . . . ?
C35 C36 C37 C45 179.6(10) . . . . ?
C34 N2 C38 C37 -0.8(14) . . . . ?
Dy1 N2 C38 C37 -174.2(7) . . . . ?
C34 N2 C38 C39 178.0(9) . . . . ?
Dy1 N2 C38 C39 4.6(12) . . . . ?
C36 C37 C38 N2 -1.2(15) . . . . ?
C45 C37 C38 N2 -177.9(9) . . . . ?
C36 C37 C38 C39 180.0(9) . . . . ?
C45 C37 C38 C39 3.4(14) . . . . ?
C43 N1 C39 C40 -0.2(14) . . . . ?
Dy1 N1 C39 C40 -179.0(7) . . . . ?
C43 N1 C39 C38 180.0(9) . . . . ?
Dy1 N1 C39 C38 1.2(11) . . . . ?
N2 C38 C39 N1 -3.8(13) . . . . ?
C37 C38 C39 N1 175.1(9) . . . . ?
N2 C38 C39 C40 176.4(9) . . . . ?
C37 C38 C39 C40 -4.7(14) . . . . ?
N1 C39 C40 C41 1.4(14) . . . . ?
C38 C39 C40 C41 -178.8(9) . . . . ?
N1 C39 C40 C44 -176.6(9) . . . . ?
C38 C39 C40 C44 3.2(14) . . . . ?
C39 C40 C41 C42 -0.2(15) . . . . ?
C44 C40 C41 C42 177.7(10) . . . . ?
C40 C41 C42 C43 -2.2(16) . . . . ?
C39 N1 C43 C42 -2.4(16) . . . . ?
Dy1 N1 C43 C42 176.3(8) . . . . ?
C41 C42 C43 N1 3.8(18) . . . . ?
C51 N3 C44 C45 -0.9(14) . . . . ?
C51 N3 C44 C40 179.5(9) . . . . ?
C39 C40 C44 N3 179.2(9) . . . . ?
C41 C40 C44 N3 1.2(14) . . . . ?
C39 C40 C44 C45 -0.4(14) . . . . ?
C41 C40 C44 C45 -178.3(10) . . . . ?
C46 N4 C45 C44 1.4(15) . . . . ?
C46 N4 C45 C37 -178.4(9) . . . . ?
N3 C44 C45 N4 -0.2(16) . . . . ?
C40 C44 C45 N4 179.3(10) . . . . ?
N3 C44 C45 C37 179.6(8) . . . . ?
C40 C44 C45 C37 -0.9(14) . . . . ?
C36 C37 C45 N4 2.7(15) . . . . ?
C38 C37 C45 N4 179.2(9) . . . . ?
C36 C37 C45 C44 -177.1(10) . . . . ?
C38 C37 C45 C44 -0.6(14) . . . . ?
C45 N4 C46 C51 -1.5(15) . . . . ?
C45 N4 C46 C47 179.8(10) . . . . ?
N4 C46 C47 C48 178.3(10) . . . . ?
C51 C46 C47 C48 -0.4(17) . . . . ?
C46 C47 C48 C49 0.3(19) . . . . ?
C47 C48 C49 C50 1(2) . . . . ?
C48 C49 C50 C51 -3(2) . . . . ?
C44 N3 C51 C46 0.9(15) . . . . ?
C44 N3 C51 C50 -179.0(9) . . . . ?
N4 C46 C51 N3 0.3(16) . . . . ?
C47 C46 C51 N3 179.0(10) . . . . ?
N4 C46 C51 C50 -179.9(10) . . . . ?
C47 C46 C51 C50 -1.2(16) . . . . ?
C49 C50 C51 N3 -177.2(11) . . . . ?
C49 C50 C51 C46 3.0(17) . . . . ?
Dy2 O7 C53 C54 -30.1(18) . . . . ?
Dy2 O7 C53 C52 153.4(9) . . . . ?
F11 C52 C53 O7 -46.5(17) . . . . ?
F12 C52 C53 O7 -176.6(12) . . . . ?
F10 C52 C53 O7 70.8(14) . . . . ?
F11 C52 C53 C54 136.6(14) . . . . ?
F12 C52 C53 C54 6.5(19) . . . . ?
F10 C52 C53 C54 -106.1(13) . . . . ?
O7 C53 C54 C55 4(2) . . . . ?
C52 C53 C54 C55 -179.8(12) . . . . ?
Dy2 O8 C55 C54 20.2(18) . . . . ?
Dy2 O8 C55 C56 -158.0(7) . . . . ?
C53 C54 C55 O8 3(2) . . . . ?
C53 C54 C55 C56 -179.2(11) . . . . ?
O8 C55 C56 C57 -161.8(12) . . . . ?
C54 C55 C56 C57 19.9(18) . . . . ?
O8 C55 C56 C61 16.3(16) . . . . ?
C54 C55 C56 C61 -162.0(11) . . . . ?
C61 C56 C57 C58 -1(2) . . . . ?
C55 C56 C57 C58 177.3(12) . . . . ?
C56 C57 C58 C59 0(2) . . . . ?
C57 C58 C59 C60 2(2) . . . . ?
C57 C58 C59 C62 179.3(15) . . . . ?
C58 C59 C60 C61 -4(2) . . . . ?
C62 C59 C60 C61 178.6(14) . . . . ?
C59 C60 C61 C56 4(2) . . . . ?
C57 C56 C61 C60 -1(2) . . . . ?
C55 C56 C61 C60 -179.4(12) . . . . ?
Dy2 O9 C64 C65 -4(3) . . . . ?
Dy2 O9 C64 C63 -175.9(12) . . . . ?
F13 C63 C64 O9 23(3) . . . . ?
F15 C63 C64 O9 -175.1(19) . . . . ?
F14 C63 C64 O9 -78.6(17) . . . . ?
F13 C63 C64 C65 -150(2) . . . . ?
F15 C63 C64 C65 12(3) . . . . ?
F14 C63 C64 C65 108.9(16) . . . . ?
O9 C64 C65 C66 3(3) . . . . ?
C63 C64 C65 C66 174.1(16) . . . . ?
Dy2 O10 C66 C65 11(2) . . . . ?
Dy2 O10 C66 C67 -171.9(9) . . . . ?
C64 C65 C66 O10 -5(2) . . . . ?
C64 C65 C66 C67 178.2(14) . . . . ?
O10 C66 C67 C72 2(2) . . . . ?
C65 C66 C67 C72 179.1(15) . . . . ?
O10 C66 C67 C68 -179.8(14) . . . . ?
C65 C66 C67 C68 -3(2) . . . . ?
C72 C67 C68 C69 2(2) . . . . ?
C66 C67 C68 C69 -175.9(14) . . . . ?
C67 C68 C69 C70 1(3) . . . . ?
C68 C69 C70 C71 -5(3) . . . . ?
C68 C69 C70 C73 178.5(17) . . . . ?
C69 C70 C71 C72 8(3) . . . . ?
C73 C70 C71 C72 -176.3(16) . . . . ?
C68 C67 C72 C71 0(2) . . . . ?
C66 C67 C72 C71 178.2(13) . . . . ?
C70 C71 C72 C67 -5(3) . . . . ?
Dy2 O11 C75 C76 9(2) . . . . ?
Dy2 O11 C75 C74 -168.7(11) . . . . ?
F17 C74 C75 O11 -54(3) . . . . ?
F18 C74 C75 O11 53(2) . . . . ?
F16 C74 C75 O11 -169.3(16) . . . . ?
F17 C74 C75 C76 129(2) . . . . ?
F18 C74 C75 C76 -125(2) . . . . ?
F16 C74 C75 C76 13(3) . . . . ?
O11 C75 C76 C77 9(3) . . . . ?
C74 C75 C76 C77 -173.9(16) . . . . ?
Dy2 O12 C77 C76 -35(2) . . . . ?
Dy2 O12 C77 C78 146.9(10) . . . . ?
C75 C76 C77 O12 4(3) . . . . ?
C75 C76 C77 C78 -178.3(15) . . . . ?
O12 C77 C78 C83 -6(2) . . . . ?
C76 C77 C78 C83 175.8(16) . . . . ?
O12 C77 C78 C79 177.2(13) . . . . ?
C76 C77 C78 C79 -1(2) . . . . ?
C83 C78 C79 C80 -3.1(16) . . . . ?
C77 C78 C79 C80 173.8(15) . . . . ?
C78 C79 C80 C81 1.1(16) . . . . ?
C79 C80 C81 C82 -1(3) . . . . ?
C79 C80 C81 C84 -175.0(16) . . . . ?
C80 C81 C82 C83 2(3) . . . . ?
C84 C81 C82 C83 176.7(19) . . . . ?
C79 C78 C83 C82 5(3) . . . . ?
C77 C78 C83 C82 -172.4(17) . . . . ?
C81 C82 C83 C78 -4(3) . . . . ?
C89 N5 C85 C86 0.1(16) . . . . ?
Dy2 N5 C85 C86 173.4(9) . . . . ?
N5 C85 C86 C87 -0.5(18) . . . . ?
C85 C86 C87 C88 1.4(16) . . . . ?
C86 C87 C88 C89 -2.0(15) . . . . ?
C86 C87 C88 C95 178.7(10) . . . . ?
C85 N5 C89 C88 -0.7(15) . . . . ?
Dy2 N5 C89 C88 -174.2(7) . . . . ?
C85 N5 C89 C90 -177.3(9) . . . . ?
Dy2 N5 C89 C90 9.1(12) . . . . ?
C87 C88 C89 N5 1.7(15) . . . . ?
C95 C88 C89 N5 -179.0(9) . . . . ?
C87 C88 C89 C90 178.2(9) . . . . ?
C95 C88 C89 C90 -2.5(14) . . . . ?
C94 N6 C90 C91 -2.7(16) . . . . ?
Dy2 N6 C90 C91 174.9(8) . . . . ?
C94 N6 C90 C89 177.4(9) . . . . ?
Dy2 N6 C90 C89 -5.0(12) . . . . ?
N5 C89 C90 C91 177.4(10) . . . . ?
C88 C89 C90 C91 0.7(15) . . . . ?
N5 C89 C90 N6 -2.7(14) . . . . ?
C88 C89 C90 N6 -179.4(9) . . . . ?
N6 C90 C91 C92 1.8(16) . . . . ?
C89 C90 C91 C92 -178.3(10) . . . . ?
N6 C90 C91 C96 -179.1(9) . . . . ?
C89 C90 C91 C96 0.8(15) . . . . ?
C90 C91 C92 C93 -0.3(17) . . . . ?
C96 C91 C92 C93 -179.4(11) . . . . ?
C91 C92 C93 C94 -0.2(19) . . . . ?
C90 N6 C94 C93 2.1(17) . . . . ?
Dy2 N6 C94 C93 -175.5(9) . . . . ?
C92 C93 C94 N6 -1(2) . . . . ?
C97 N7 C95 C96 0.7(14) . . . . ?
C97 N7 C95 C88 -179.4(9) . . . . ?
C87 C88 C95 C96 -177.7(10) . . . . ?
C89 C88 C95 C96 3.0(14) . . . . ?
C87 C88 C95 N7 2.4(15) . . . . ?
C89 C88 C95 N7 -176.9(9) . . . . ?
C102 N8 C96 C95 -1.1(15) . . . . ?
C102 N8 C96 C91 -178.4(9) . . . . ?
N7 C95 C96 N8 1.0(16) . . . . ?
C88 C95 C96 N8 -178.8(9) . . . . ?
N7 C95 C96 C91 178.3(9) . . . . ?
C88 C95 C96 C91 -1.6(15) . . . . ?
C90 C91 C96 N8 177.1(9) . . . . ?
C92 C91 C96 N8 -3.8(15) . . . . ?
C90 C91 C96 C95 -0.3(15) . . . . ?
C92 C91 C96 C95 178.7(10) . . . . ?
C95 N7 C97 C98 -179.0(10) . . . . ?
C95 N7 C97 C102 -2.3(15) . . . . ?
N7 C97 C98 C99 177.7(11) . . . . ?
C102 C97 C98 C99 1.0(18) . . . . ?
C97 C98 C99 C100 0(2) . . . . ?
C98 C99 C100 C101 0(2) . . . . ?
C99 C100 C101 C102 -2(2) . . . . ?
C96 N8 C102 C101 -178.9(9) . . . . ?
C96 N8 C102 C97 -0.5(15) . . . . ?
C100 C101 C102 N8 -178.4(11) . . . . ?
C100 C101 C102 C97 3.1(17) . . . . ?
N7 C97 C102 N8 2.3(17) . . . . ?
C98 C97 C102 N8 179.0(10) . . . . ?
N7 C97 C102 C101 -179.3(10) . . . . ?
C98 C97 C102 C101 -2.6(16) . . . . ?
O3 C13 C12 F4 141(2) . . . . ?
C14 C13 C12 F4 -37(3) . . . . ?
O3 C13 C12 F5 -4(3) . . . . ?
C14 C13 C12 F5 178.1(19) . . . . ?
O3 C13 C12 F6 -113.4(15) . . . . ?
C14 C13 C12 F6 69(2) . . . . ?
O1 C2 C1 F1 43(3) . . . . ?
C3 C2 C1 F1 -138.0(19) . . . . ?
O1 C2 C1 F3 -163.7(16) . . . . ?
C3 C2 C1 F3 15(3) . . . . ?
O1 C2 C1 F2 -69.7(18) . . . . ?
C3 C2 C1 F2 109.1(17) . . . . ?

_refine_diff_density_max         1.044
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.104




