# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# 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_dy_sq
_database_code_depnum_ccdc_archive 'CCDC 2034318'
loop_
_audit_author_name
_audit_author_address
'Lei Hou'
;Northwest University
China
;
_audit_update_record             
;
2020-09-27 deposited with the CCDC.	2020-10-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H38 Dy6 F6 N24 O26'
_chemical_formula_weight         2456.02

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      cubic
_space_group_IT_number           225
_space_group_name_H-M_alt        'F m -3 m'
_space_group_name_Hall           '-F 4 2 3'

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

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

_cell_length_a                   23.625(5)
_cell_length_b                   23.625(5)
_cell_length_c                   23.625(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     13186(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4718
_cell_measurement_theta_min      2.85
_cell_measurement_theta_max      27.33

_exptl_crystal_description       octahedron
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.237
_exptl_crystal_F_000             4608
_exptl_transmission_factor_min   0.6773
_exptl_transmission_factor_max   0.7457
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.210
_exptl_absorpt_coefficient_mu    3.416
_shelx_estimated_absorpt_T_min   0.448
_shelx_estimated_absorpt_T_max   0.534
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17839
_diffrn_reflns_av_unetI/netI     0.0141
_diffrn_reflns_av_R_equivalents  0.0504
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.724
_diffrn_reflns_theta_max         25.978
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             710
_reflns_number_gt                650
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0654P)²+908.5950P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         710
_refine_ls_number_parameters     55
_refine_ls_number_restraints     62
_refine_ls_R_factor_all          0.0542
_refine_ls_R_factor_gt           0.0494
_refine_ls_wR_factor_ref         0.1356
_refine_ls_wR_factor_gt          0.1297
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_restrained_S_all      1.192
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.11755(3) 0.5000 0.0000 0.0101(3) Uani 1 8 d S TU P . .
O1 O 0.1584(7) 0.5000 0.0901(7) 0.028(2) Uani 0.5 2 d S TU P B .
O2 O 0.0532(3) 0.4468(3) -0.0532(3) 0.0284(16) Uani 1 6 d S T P . .
H2A H 0.0732 0.4268 -0.0732 0.034 Uiso 1 6 d R U P . .
O3 O 0.2216(6) 0.5000 0.0000 0.039(2) Uani 1 8 d S TU P . .
H3A H 0.2396 0.5000 0.0312 0.058 Uiso 0.5 2 d R U P . .
N1 N 0.1454(8) 0.5000 0.1054(8) 0.023(4) Uani 0.5 2 d S TU P B .
N2 N 0.1953(9) 0.5000 0.1288(9) 0.039(5) Uani 0.5 2 d S TU P B .
C1 C 0.2719(9) 0.5000 0.2719(9) 0.036(2) Uani 0.5 4 d S TU P . .
C2 C 0.2132(5) 0.5000 0.2868(5) 0.0361(19) Uani 1 4 d S TU P B .
H2 H 0.2026 0.5000 0.3249 0.043 Uiso 0.5 2 d R U P . .
C3 C 0.1717(8) 0.5000 0.2430(9) 0.0335(17) Uani 0.5 2 d DS TU P . .
H3 H 0.1341 0.5000 0.2548 0.040 Uiso 0.25 2 d R U P A 1
F1 F 0.1159(9) 0.5000 0.2658(14) 0.057(5) Uani 0.25 2 d DS TU P B 2
C4 C 0.1858(4) 0.5000 0.1858(4) 0.0284(16) Uani 1 4 d S TU P B .
C5 C 0.1418(9) 0.5000 0.1418(9) 0.0283(18) Uani 0.5 4 d S TU P . .


_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 2.336(17) 41 ?
Dy1 O1 2.336(17) 138 ?
Dy1 O1 2.336(17) 98 ?
Dy1 O1 2.336(17) . ?
Dy1 O2 2.339(3) 98 ?
Dy1 O2 2.339(3) 99_565 ?
Dy1 O2 2.339(3) 4_565 ?
Dy1 O2 2.339(3) . ?
Dy1 O3 2.458(15) . ?
Dy1 N1 2.58(2) . ?
Dy1 N1 2.58(2) 41 ?
Dy1 N1 2.58(2) 138 ?
O1 N2 1.26(3) . ?
O1 C5 1.28(2) . ?
O1 N1 1.81(3) 22_565 ?
O2 Dy1 2.339(3) 177 ?
O2 Dy1 2.339(3) 125 ?
O2 H2A 0.8180 . ?
O3 H3A 0.8500 . ?
N1 C5 0.87(2) . ?
N1 N2 1.30(3) . ?
N1 N1 1.34(4) 22_565 ?
N1 O1 1.81(3) 22_565 ?
N2 C5 1.30(3) . ?
N2 C4 1.37(2) . ?
N2 C3 1.52(3) 22_565 ?
N2 F1 1.69(4) 22_565 ?
C1 C3 1.38(2) 166 ?
C1 C3 1.38(2) 145_565 ?
C1 C4 1.41(3) 145_565 ?
C1 C2 1.43(2) 145_565 ?
C1 C2 1.43(2) . ?
C1 C1 1.46(6) 145_565 ?
C2 C3 1.43(2) 166 ?
C2 C3 1.43(2) . ?
C2 C1 1.43(2) 145_565 ?
C2 H2 0.9337 . ?
C3 C1 1.38(2) 145_565 ?
C3 C4 1.39(2) . ?
C3 F1 1.423(10) . ?
C3 N2 1.52(3) 22_565 ?
C3 H3 0.9302 . ?
F1 N2 1.69(4) 22_565 ?
C4 N2 1.37(2) 22_565 ?
C4 C3 1.39(2) 22_565 ?
C4 C1 1.41(3) 145_565 ?
C4 C5 1.47(3) . ?
C5 N1 0.87(2) 22_565 ?
C5 O1 1.28(2) 22_565 ?
C5 N2 1.30(3) 22_565 ?

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 O1 131.3(9) 41 138 ?
O1 Dy1 O1 80.2(3) 41 98 ?
O1 Dy1 O1 80.2(3) 138 98 ?
O1 Dy1 O1 80.2(3) 41 . ?
O1 Dy1 O1 80.2(3) 138 . ?
O1 Dy1 O1 131.3(9) 98 . ?
O1 Dy1 O2 139.3(3) 41 98 ?
O1 Dy1 O2 77.2(4) 138 98 ?
O1 Dy1 O2 139.3(3) 98 98 ?
O1 Dy1 O2 77.2(4) . 98 ?
O1 Dy1 O2 77.2(4) 41 99_565 ?
O1 Dy1 O2 139.3(3) 138 99_565 ?
O1 Dy1 O2 77.2(4) 98 99_565 ?
O1 Dy1 O2 139.3(3) . 99_565 ?
O2 Dy1 O2 98.9(6) 98 99_565 ?
O1 Dy1 O2 77.2(4) 41 4_565 ?
O1 Dy1 O2 139.3(3) 138 4_565 ?
O1 Dy1 O2 139.3(3) 98 4_565 ?
O1 Dy1 O2 77.2(4) . 4_565 ?
O2 Dy1 O2 65.0(3) 98 4_565 ?
O2 Dy1 O2 65.0(3) 99_565 4_565 ?
O1 Dy1 O2 139.3(3) 41 . ?
O1 Dy1 O2 77.2(4) 138 . ?
O1 Dy1 O2 77.2(4) 98 . ?
O1 Dy1 O2 139.3(3) . . ?
O2 Dy1 O2 65.0(3) 98 . ?
O2 Dy1 O2 65.0(3) 99_565 . ?
O2 Dy1 O2 98.9(6) 4_565 . ?
O1 Dy1 O3 65.6(4) 41 . ?
O1 Dy1 O3 65.6(4) 138 . ?
O1 Dy1 O3 65.6(4) 98 . ?
O1 Dy1 O3 65.6(4) . . ?
O2 Dy1 O3 130.6(3) 98 . ?
O2 Dy1 O3 130.6(3) 99_565 . ?
O2 Dy1 O3 130.6(3) 4_565 . ?
O2 Dy1 O3 130.6(3) . . ?
O1 Dy1 N1 83.9(2) 41 . ?
O1 Dy1 N1 83.9(2) 138 . ?
O1 Dy1 N1 140.8(6) 98 . ?
O1 Dy1 N1 9.6(6) . . ?
O2 Dy1 N1 69.3(4) 98 . ?
O2 Dy1 N1 133.3(3) 99_565 . ?
O2 Dy1 N1 69.3(4) 4_565 . ?
O2 Dy1 N1 133.3(3) . . ?
O3 Dy1 N1 75.2(4) . . ?
O1 Dy1 N1 9.6(6) 41 41 ?
O1 Dy1 N1 140.8(6) 138 41 ?
O1 Dy1 N1 83.9(2) 98 41 ?
O1 Dy1 N1 83.9(2) . 41 ?
O2 Dy1 N1 133.3(3) 98 41 ?
O2 Dy1 N1 69.3(4) 99_565 41 ?
O2 Dy1 N1 69.3(4) 4_565 41 ?
O2 Dy1 N1 133.3(3) . 41 ?
O3 Dy1 N1 75.2(4) . 41 ?
N1 Dy1 N1 86.3(2) . 41 ?
O1 Dy1 N1 140.8(6) 41 138 ?
O1 Dy1 N1 9.6(6) 138 138 ?
O1 Dy1 N1 83.9(2) 98 138 ?
O1 Dy1 N1 83.9(2) . 138 ?
O2 Dy1 N1 69.3(4) 98 138 ?
O2 Dy1 N1 133.3(3) 99_565 138 ?
O2 Dy1 N1 133.3(3) 4_565 138 ?
O2 Dy1 N1 69.3(4) . 138 ?
O3 Dy1 N1 75.2(4) . 138 ?
N1 Dy1 N1 86.3(2) . 138 ?
N1 Dy1 N1 150.4(9) 41 138 ?
N2 O1 C5 61.4(17) . . ?
N2 O1 N1 87.4(16) . 22_565 ?
C5 O1 N1 26.0(14) . 22_565 ?
N2 O1 Dy1 160.7(17) . . ?
C5 O1 Dy1 137.9(18) . . ?
N1 O1 Dy1 111.9(12) 22_565 . ?
Dy1 O2 Dy1 114.2(2) 177 125 ?
Dy1 O2 Dy1 114.2(2) 177 . ?
Dy1 O2 Dy1 114.2(2) 125 . ?
Dy1 O2 H2A 104.2 177 . ?
Dy1 O2 H2A 104.2 125 . ?
Dy1 O2 H2A 104.2 . . ?
Dy1 O3 H3A 120.0 . . ?
C5 N1 N2 70(2) . . ?
C5 N1 N1 39(2) . 22_565 ?
N2 N1 N1 109.9(13) . 22_565 ?
C5 N1 O1 41(2) . 22_565 ?
N2 N1 O1 111.1(18) . 22_565 ?
N1 N1 O1 1.2(10) 22_565 22_565 ?
C5 N1 Dy1 160(2) . . ?
N2 N1 Dy1 130.0(15) . . ?
N1 N1 Dy1 120.2(4) 22_565 . ?
O1 N1 Dy1 118.9(13) 22_565 . ?
O1 N2 C5 60.0(17) . . ?
O1 N2 N1 21.2(11) . . ?
C5 N2 N1 38.8(14) . . ?
O1 N2 C4 127(2) . . ?
C5 N2 C4 66.9(17) . . ?
N1 N2 C4 105.7(18) . . ?
O1 N2 C3 176(2) . 22_565 ?
C5 N2 C3 124(2) . 22_565 ?
N1 N2 C3 163(2) . 22_565 ?
C4 N2 C3 57.5(12) . 22_565 ?
O1 N2 F1 123.3(19) . 22_565 ?
C5 N2 F1 177(2) . 22_565 ?
N1 N2 F1 145(2) . 22_565 ?
C4 N2 F1 109.8(16) . 22_565 ?
C3 N2 F1 52.3(10) 22_565 22_565 ?
C3 C1 C3 119(3) 166 145_565 ?
C3 C1 C4 59.7(15) 166 145_565 ?
C3 C1 C4 59.7(15) 145_565 145_565 ?
C3 C1 C2 180(3) 166 145_565 ?
C3 C1 C2 61.0(10) 145_565 145_565 ?
C4 C1 C2 120.7(12) 145_565 145_565 ?
C3 C1 C2 61.0(10) 166 . ?
C3 C1 C2 180(2) 145_565 . ?
C4 C1 C2 120.7(12) 145_565 . ?
C2 C1 C2 119(2) 145_565 . ?
C3 C1 C1 120.3(15) 166 145_565 ?
C3 C1 C1 120.3(15) 145_565 145_565 ?
C4 C1 C1 180(3) 145_565 145_565 ?
C2 C1 C1 59.3(12) 145_565 145_565 ?
C2 C1 C1 59.3(12) . 145_565 ?
C3 C2 C3 177(2) 166 . ?
C3 C2 C1 57.7(14) 166 . ?
C3 C2 C1 119.1(18) . . ?
C3 C2 C1 119.1(18) 166 145_565 ?
C3 C2 C1 57.7(14) . 145_565 ?
C1 C2 C1 61(2) . 145_565 ?
C3 C2 H2 62.2 166 . ?
C3 C2 H2 120.9 . . ?
C1 C2 H2 119.9 . . ?
C1 C2 H2 178.7 145_565 . ?
C1 C3 C4 61.4(15) 145_565 . ?
C1 C3 F1 172(3) 145_565 . ?
C4 C3 F1 126(2) . . ?
C1 C3 C2 61.3(16) 145_565 . ?
C4 C3 C2 122.7(17) . . ?
F1 C3 C2 111(2) . . ?
C1 C3 N2 117(2) 145_565 22_565 ?
C4 C3 N2 55.8(12) . 22_565 ?
F1 C3 N2 70.2(19) . 22_565 ?
C2 C3 N2 178.6(19) . 22_565 ?
C1 C3 H3 177.3 145_565 . ?
C4 C3 H3 121.3 . . ?
C2 C3 H3 116.0 . . ?
N2 C3 H3 65.5 22_565 . ?
C3 F1 N2 57.4(15) . 22_565 ?
N2 C4 N2 109(2) 22_565 . ?
N2 C4 C3 66.7(12) 22_565 . ?
N2 C4 C3 175.6(17) . . ?
N2 C4 C3 175.6(17) 22_565 22_565 ?
N2 C4 C3 66.7(12) . 22_565 ?
C3 C4 C3 118(2) . 22_565 ?
N2 C4 C1 125.5(10) 22_565 145_565 ?
N2 C4 C1 125.5(10) . 145_565 ?
C3 C4 C1 58.8(10) . 145_565 ?
C3 C4 C1 58.8(10) 22_565 145_565 ?
N2 C4 C5 54.5(10) 22_565 . ?
N2 C4 C5 54.5(10) . . ?
C3 C4 C5 121.2(10) . . ?
C3 C4 C5 121.2(10) 22_565 . ?
C1 C4 C5 180.0(17) 145_565 . ?
N1 C5 N1 101(4) 22_565 . ?
N1 C5 O1 113(3) 22_565 . ?
N1 C5 O1 12.1(18) . . ?
N1 C5 O1 12.1(18) 22_565 22_565 ?
N1 C5 O1 113(3) . 22_565 ?
O1 C5 O1 125(3) . 22_565 ?
N1 C5 N2 70.7(17) 22_565 22_565 ?
N1 C5 N2 172(3) . 22_565 ?
O1 C5 N2 176(3) . 22_565 ?
O1 C5 N2 58.6(12) 22_565 22_565 ?
N1 C5 N2 172(3) 22_565 . ?
N1 C5 N2 70.7(17) . . ?
O1 C5 N2 58.6(11) . . ?
O1 C5 N2 176(3) 22_565 . ?
N2 C5 N2 117(3) 22_565 . ?
N1 C5 C4 129(2) 22_565 . ?
N1 C5 C4 129(2) . . ?
O1 C5 C4 117.3(15) . . ?
O1 C5 C4 117.3(15) 22_565 . ?
N2 C5 C4 58.7(15) 22_565 . ?
N2 C5 C4 58.7(15) . . ?

_refine_diff_density_max         4.509
_refine_diff_density_min         -2.876
_refine_diff_density_rms         0.229




