# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1843986'
_audit_update_record             
;
2018-07-23 deposited with the CCDC.
2018-08-06 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            'C42 H27 Cl3 Dy F9 N2 O6'
_chemical_formula_weight         1095.50

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'
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'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   11.3469(8)
_cell_length_b                   13.3777(10)
_cell_length_c                   18.6857(17)
_cell_angle_alpha                94.855(7)
_cell_angle_beta                 104.522(7)
_cell_angle_gamma                109.539(7)
_cell_volume                     2543.2(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2569
_cell_measurement_theta_min      3.5850
_cell_measurement_theta_max      58.6950

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_F_000             1078
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    9.977
_shelx_estimated_absorpt_T_min   0.502
_shelx_estimated_absorpt_T_max   0.542
_exptl_absorpt_correction_T_min  0.53993
_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            16360
_diffrn_reflns_av_unetI/netI     0.1306
_diffrn_reflns_av_R_equivalents  0.0725
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.485
_diffrn_reflns_theta_max         67.245
_diffrn_reflns_theta_full        67.245
_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             9101
_reflns_number_gt                5460
_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    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0902P)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       0.00072(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         9101
_refine_ls_number_parameters     571
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1077
_refine_ls_R_factor_gt           0.0669
_refine_ls_wR_factor_ref         0.1997
_refine_ls_wR_factor_gt          0.1588
_refine_ls_goodness_of_fit_ref   0.879
_refine_ls_restrained_S_all      0.879
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.15948(5) 0.73603(4) 0.20387(3) 0.0568(2) Uani 1 1 d . . . . .
Cl1 Cl 0.1244(4) 0.8226(3) 0.66980(16) 0.1532(17) Uani 1 1 d . . . . .
Cl2 Cl 0.3356(5) 0.4319(4) 0.5900(2) 0.1700(19) Uani 1 1 d . . . . .
Cl3 Cl 0.5442(3) 1.2365(2) -0.03088(17) 0.0945(9) Uani 1 1 d . . . . .
F1 F -0.1893(12) 0.8646(11) 0.1208(6) 0.230(7) Uani 1 1 d . . . . .
F2 F -0.0571(13) 1.0079(12) 0.1544(11) 0.263(9) Uani 1 1 d . . . . .
F3 F -0.1816(13) 0.9564(13) 0.2121(6) 0.241(7) Uani 1 1 d . . . . .
F4 F -0.2960(8) 0.6208(10) 0.1905(9) 0.231(7) Uani 1 1 d . . . . .
F5 F -0.3236(7) 0.4882(11) 0.2419(5) 0.203(5) Uani 1 1 d . . . . .
F6 F -0.3181(7) 0.4756(10) 0.1338(5) 0.185(5) Uani 1 1 d . . . . .
F7 F 0.5656(11) 0.8430(19) 0.4100(6) 0.290(11) Uani 1 1 d . . . . .
F8 F 0.7043(7) 0.9115(8) 0.3601(5) 0.177(4) Uani 1 1 d . . . . .
F9 F 0.6036(13) 0.7560(10) 0.3418(10) 0.279(10) Uani 1 1 d . . . . .
N1 N 0.2335(6) 0.6088(6) 0.1357(4) 0.0593(18) Uani 1 1 d . . . . .
N2 N 0.0814(6) 0.7040(6) 0.0611(4) 0.0568(17) Uani 1 1 d . . . . .
O1 O 0.0433(6) 0.8498(5) 0.1859(3) 0.0737(17) Uani 1 1 d . . . . .
O2 O 0.1482(6) 0.8019(5) 0.3203(3) 0.0661(16) Uani 1 1 d . . . . .
O3 O -0.0616(5) 0.6180(5) 0.1779(3) 0.0690(17) Uani 1 1 d . . . . .
O4 O 0.1511(6) 0.5992(5) 0.2739(3) 0.0705(17) Uani 1 1 d . . . . .
O5 O 0.3722(5) 0.7803(5) 0.2827(3) 0.0696(17) Uani 1 1 d . . . . .
O6 O 0.2964(5) 0.8799(5) 0.1679(3) 0.0626(15) Uani 1 1 d . . . . .
C1 C -0.1083(19) 0.9290(16) 0.1804(7) 0.123(6) Uani 1 1 d . . . . .
C2 C -0.0157(9) 0.8824(8) 0.2258(5) 0.069(2) Uani 1 1 d . . . . .
C3 C -0.0118(10) 0.8781(9) 0.2982(5) 0.083(3) Uani 1 1 d . . . . .
H3 H -0.067442 0.901637 0.317958 0.099 Uiso 1 1 calc R U . . .
C4 C 0.0739(9) 0.8391(8) 0.3441(5) 0.067(2) Uani 1 1 d . . . . .
C5 C 0.0872(10) 0.8399(8) 0.4266(5) 0.072(3) Uani 1 1 d . . . . .
C6 C -0.0012(12) 0.8597(9) 0.4589(7) 0.095(3) Uani 1 1 d . . . . .
H6 H -0.069941 0.875597 0.429905 0.114 Uiso 1 1 calc R U . . .
C7 C 0.0115(14) 0.8560(10) 0.5348(7) 0.102(4) Uani 1 1 d . . . . .
H7 H -0.046372 0.871735 0.557099 0.122 Uiso 1 1 calc R U . . .
C8 C 0.1109(14) 0.8289(10) 0.5758(6) 0.101(4) Uani 1 1 d . . . . .
C9 C 0.1988(13) 0.8107(11) 0.5446(6) 0.105(4) Uani 1 1 d . . . . .
H9 H 0.268191 0.795768 0.573688 0.126 Uiso 1 1 calc R U . . .
C10 C 0.1856(11) 0.8145(9) 0.4698(5) 0.088(3) Uani 1 1 d . . . . .
H10 H 0.244702 0.799370 0.448325 0.106 Uiso 1 1 calc R U . . .
C11 C -0.2668(11) 0.5355(15) 0.1982(7) 0.103(4) Uani 1 1 d . . . . .
C12 C -0.1150(9) 0.5692(9) 0.2248(5) 0.079(3) Uani 1 1 d . . . . .
C13 C -0.0586(9) 0.5418(9) 0.2880(5) 0.082(3) Uani 1 1 d . . . . .
H13 H -0.110075 0.510943 0.317974 0.098 Uiso 1 1 calc R U . . .
C14 C 0.0767(9) 0.5578(7) 0.3113(5) 0.065(2) Uani 1 1 d . . . . .
C15 C 0.1351(10) 0.5240(7) 0.3809(5) 0.068(2) Uani 1 1 d . . . . .
C16 C 0.0636(11) 0.4591(8) 0.4211(6) 0.083(3) Uani 1 1 d . . . . .
H16 H -0.027407 0.433715 0.404442 0.100 Uiso 1 1 calc R U . . .
C17 C 0.1261(15) 0.4318(10) 0.4857(7) 0.104(4) Uani 1 1 d . . . . .
H17 H 0.077215 0.387661 0.511942 0.125 Uiso 1 1 calc R U . . .
C18 C 0.2598(16) 0.4698(11) 0.5108(7) 0.105(4) Uani 1 1 d . . . . .
C19 C 0.3341(13) 0.5377(12) 0.4732(7) 0.124(5) Uani 1 1 d . . . . .
H19 H 0.425037 0.565302 0.491441 0.148 Uiso 1 1 calc R U . . .
C20 C 0.2708(11) 0.5640(10) 0.4077(6) 0.102(4) Uani 1 1 d . . . . .
H20 H 0.319781 0.608655 0.381707 0.123 Uiso 1 1 calc R U . . .
C21 C 0.5912(11) 0.8518(15) 0.3539(11) 0.134(7) Uani 1 1 d . . . . .
C22 C 0.4796(8) 0.8486(8) 0.2858(5) 0.068(2) Uani 1 1 d . . . . .
C23 C 0.5116(8) 0.9243(8) 0.2432(6) 0.077(3) Uani 1 1 d . . . . .
H23 H 0.598401 0.970555 0.254235 0.092 Uiso 1 1 calc R U . . .
C24 C 0.4172(8) 0.9347(7) 0.1830(5) 0.062(2) Uani 1 1 d . . . . .
C25 C 0.4521(8) 1.0141(7) 0.1320(5) 0.062(2) Uani 1 1 d . . . . .
C26 C 0.3591(9) 1.0206(9) 0.0741(6) 0.101(4) Uani 1 1 d . . . . .
H26 H 0.272282 0.977575 0.067452 0.121 Uiso 1 1 calc R U . . .
C27 C 0.3866(10) 1.0880(10) 0.0241(7) 0.110(5) Uani 1 1 d . . . . .
H27 H 0.319187 1.087487 -0.016515 0.133 Uiso 1 1 calc R U . . .
C28 C 0.5096(9) 1.1544(7) 0.0332(6) 0.068(2) Uani 1 1 d . . . . .
C29 C 0.6050(10) 1.1486(11) 0.0892(8) 0.123(5) Uani 1 1 d . . . . .
H29 H 0.691645 1.190764 0.094441 0.148 Uiso 1 1 calc R U . . .
C30 C 0.5772(11) 1.0808(11) 0.1394(8) 0.130(6) Uani 1 1 d . . . . .
H30 H 0.645291 1.080548 0.179271 0.156 Uiso 1 1 calc R U . . .
C31 C 0.3101(8) 0.5630(8) 0.1757(5) 0.071(3) Uani 1 1 d . . . . .
H31 H 0.337592 0.581866 0.227916 0.086 Uiso 1 1 calc R U . . .
C32 C 0.3498(9) 0.4887(9) 0.1423(6) 0.080(3) Uani 1 1 d . . . . .
H32 H 0.406272 0.461005 0.171635 0.097 Uiso 1 1 calc R U . . .
C33 C 0.3052(10) 0.4563(8) 0.0660(6) 0.074(3) Uani 1 1 d . . . . .
C34 C 0.2264(8) 0.5029(7) 0.0246(5) 0.066(2) Uani 1 1 d . . . . .
H34 H 0.195027 0.482182 -0.027465 0.079 Uiso 1 1 calc R U . . .
C35 C 0.1931(7) 0.5812(7) 0.0602(5) 0.0540(19) Uani 1 1 d . . . . .
C36 C 0.1157(7) 0.6391(7) 0.0182(4) 0.055(2) Uani 1 1 d . . . . .
C37 C 0.0871(8) 0.6319(7) -0.0588(5) 0.061(2) Uani 1 1 d . . . . .
H37 H 0.112801 0.585988 -0.086210 0.073 Uiso 1 1 calc R U . . .
C38 C 0.0213(8) 0.6912(8) -0.0961(5) 0.065(2) Uani 1 1 d . . . . .
C39 C -0.0117(9) 0.7581(8) -0.0515(5) 0.077(3) Uani 1 1 d . . . . .
H39 H -0.054669 0.801022 -0.073592 0.092 Uiso 1 1 calc R U . . .
C40 C 0.0177(9) 0.7631(8) 0.0261(5) 0.067(2) Uani 1 1 d . . . . .
H40 H -0.007321 0.808489 0.054357 0.081 Uiso 1 1 calc R U . . .
C41 C 0.3431(12) 0.3726(9) 0.0270(7) 0.101(4) Uani 1 1 d . . . . .
H41A H 0.431114 0.405503 0.024886 0.152 Uiso 1 1 calc R U . . .
H41B H 0.284475 0.344808 -0.023159 0.152 Uiso 1 1 calc R U . . .
H41C H 0.337544 0.314699 0.054581 0.152 Uiso 1 1 calc R U . . .
C42 C -0.0092(12) 0.6851(9) -0.1800(5) 0.097(4) Uani 1 1 d . . . . .
H42A H -0.102103 0.651978 -0.203082 0.145 Uiso 1 1 calc R U . . .
H42B H 0.033325 0.642848 -0.199627 0.145 Uiso 1 1 calc R U . . .
H42C H 0.021952 0.756562 -0.190770 0.145 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O6 2.305(5) . ?
Dy1 O1 2.318(6) . ?
Dy1 O2 2.327(6) . ?
Dy1 O4 2.329(6) . ?
Dy1 O5 2.337(5) . ?
Dy1 O3 2.374(6) . ?
Dy1 N1 2.520(7) . ?
Dy1 N2 2.540(7) . ?
Cl1 C8 1.736(11) . ?
Cl2 C18 1.722(12) . ?
Cl3 C28 1.722(9) . ?
F1 C1 1.273(17) . ?
F2 C1 1.227(19) . ?
F3 C1 1.261(15) . ?
F4 C11 1.300(17) . ?
F5 C11 1.249(13) . ?
F6 C11 1.266(15) . ?
F7 C21 1.160(18) . ?
F8 C21 1.234(12) . ?
F9 C21 1.34(2) . ?
N1 C31 1.342(10) . ?
N1 C35 1.346(10) . ?
N2 C40 1.344(10) . ?
N2 C36 1.347(10) . ?
O1 C2 1.259(10) . ?
O2 C4 1.260(10) . ?
O3 C12 1.288(11) . ?
O4 C14 1.248(9) . ?
O5 C22 1.239(10) . ?
O6 C24 1.263(9) . ?
C1 C2 1.514(14) . ?
C2 C3 1.349(13) . ?
C3 C4 1.397(12) . ?
C4 C5 1.509(12) . ?
C5 C10 1.365(13) . ?
C5 C6 1.377(13) . ?
C6 C7 1.396(15) . ?
C7 C8 1.370(16) . ?
C8 C9 1.350(16) . ?
C9 C10 1.374(13) . ?
C11 C12 1.559(13) . ?
C12 C13 1.339(13) . ?
C13 C14 1.422(12) . ?
C14 C15 1.484(12) . ?
C15 C16 1.385(12) . ?
C15 C20 1.387(13) . ?
C16 C17 1.383(14) . ?
C17 C18 1.366(17) . ?
C18 C19 1.387(16) . ?
C19 C20 1.392(14) . ?
C21 C22 1.540(14) . ?
C22 C23 1.351(12) . ?
C23 C24 1.398(11) . ?
C24 C25 1.507(11) . ?
C25 C26 1.341(12) . ?
C25 C30 1.366(13) . ?
C26 C27 1.372(12) . ?
C27 C28 1.339(12) . ?
C28 C29 1.332(13) . ?
C29 C30 1.380(14) . ?
C31 C32 1.384(13) . ?
C32 C33 1.366(13) . ?
C33 C34 1.377(12) . ?
C33 C41 1.519(13) . ?
C34 C35 1.398(12) . ?
C35 C36 1.482(11) . ?
C36 C37 1.381(11) . ?
C37 C38 1.378(11) . ?
C38 C39 1.375(12) . ?
C38 C42 1.508(12) . ?
C39 C40 1.394(12) . ?

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 O1 76.9(2) . . ?
O6 Dy1 O2 106.4(2) . . ?
O1 Dy1 O2 71.8(2) . . ?
O6 Dy1 O4 144.7(2) . . ?
O1 Dy1 O4 132.6(2) . . ?
O2 Dy1 O4 73.6(2) . . ?
O6 Dy1 O5 72.01(19) . . ?
O1 Dy1 O5 126.6(2) . . ?
O2 Dy1 O5 76.8(2) . . ?
O4 Dy1 O5 73.8(2) . . ?
O6 Dy1 O3 143.88(19) . . ?
O1 Dy1 O3 76.4(2) . . ?
O2 Dy1 O3 87.6(2) . . ?
O4 Dy1 O3 70.8(2) . . ?
O5 Dy1 O3 144.1(2) . . ?
O6 Dy1 N1 90.2(2) . . ?
O1 Dy1 N1 143.3(2) . . ?
O2 Dy1 N1 144.8(2) . . ?
O4 Dy1 N1 75.1(2) . . ?
O5 Dy1 N1 79.4(2) . . ?
O3 Dy1 N1 97.0(2) . . ?
O6 Dy1 N2 73.3(2) . . ?
O1 Dy1 N2 79.7(2) . . ?
O2 Dy1 N2 150.6(2) . . ?
O4 Dy1 N2 124.1(2) . . ?
O5 Dy1 N2 128.2(2) . . ?
O3 Dy1 N2 78.5(2) . . ?
N1 Dy1 N2 63.6(2) . . ?
C31 N1 C35 118.8(8) . . ?
C31 N1 Dy1 119.2(6) . . ?
C35 N1 Dy1 121.9(5) . . ?
C40 N2 C36 117.4(7) . . ?
C40 N2 Dy1 119.9(6) . . ?
C36 N2 Dy1 122.2(5) . . ?
C2 O1 Dy1 131.6(6) . . ?
C4 O2 Dy1 136.7(6) . . ?
C12 O3 Dy1 126.7(5) . . ?
C14 O4 Dy1 131.8(6) . . ?
C22 O5 Dy1 133.4(5) . . ?
C24 O6 Dy1 139.2(6) . . ?
F2 C1 F3 104.5(15) . . ?
F2 C1 F1 100.9(13) . . ?
F3 C1 F1 102.8(17) . . ?
F2 C1 C2 115.6(16) . . ?
F3 C1 C2 117.4(11) . . ?
F1 C1 C2 113.6(13) . . ?
O1 C2 C3 130.7(9) . . ?
O1 C2 C1 111.0(9) . . ?
C3 C2 C1 118.3(10) . . ?
C2 C3 C4 121.5(9) . . ?
O2 C4 C3 122.6(9) . . ?
O2 C4 C5 114.4(8) . . ?
C3 C4 C5 122.9(9) . . ?
C10 C5 C6 118.7(10) . . ?
C10 C5 C4 119.2(9) . . ?
C6 C5 C4 122.0(9) . . ?
C5 C6 C7 120.5(12) . . ?
C8 C7 C6 118.8(11) . . ?
C9 C8 C7 120.9(11) . . ?
C9 C8 Cl1 120.6(11) . . ?
C7 C8 Cl1 118.5(11) . . ?
C8 C9 C10 119.9(12) . . ?
C5 C10 C9 121.2(11) . . ?
F5 C11 F6 107.7(14) . . ?
F5 C11 F4 107.6(14) . . ?
F6 C11 F4 105.1(13) . . ?
F5 C11 C12 114.4(11) . . ?
F6 C11 C12 112.0(11) . . ?
F4 C11 C12 109.4(13) . . ?
O3 C12 C13 129.0(9) . . ?
O3 C12 C11 111.8(9) . . ?
C13 C12 C11 119.2(10) . . ?
C12 C13 C14 122.7(9) . . ?
O4 C14 C13 121.8(9) . . ?
O4 C14 C15 117.0(8) . . ?
C13 C14 C15 121.1(8) . . ?
C16 C15 C20 118.9(10) . . ?
C16 C15 C14 124.5(9) . . ?
C20 C15 C14 116.5(8) . . ?
C17 C16 C15 120.7(11) . . ?
C18 C17 C16 120.0(11) . . ?
C17 C18 C19 120.7(12) . . ?
C17 C18 Cl2 119.2(10) . . ?
C19 C18 Cl2 120.1(12) . . ?
C18 C19 C20 119.1(13) . . ?
C15 C20 C19 120.5(10) . . ?
F7 C21 F8 115.5(19) . . ?
F7 C21 F9 97.0(14) . . ?
F8 C21 F9 99.0(16) . . ?
F7 C21 C22 116.0(13) . . ?
F8 C21 C22 118.8(10) . . ?
F9 C21 C22 105.2(16) . . ?
O5 C22 C23 130.7(8) . . ?
O5 C22 C21 113.0(8) . . ?
C23 C22 C21 116.1(9) . . ?
C22 C23 C24 121.5(8) . . ?
O6 C24 C23 122.8(8) . . ?
O6 C24 C25 114.9(8) . . ?
C23 C24 C25 122.3(7) . . ?
C26 C25 C30 115.7(9) . . ?
C26 C25 C24 120.6(8) . . ?
C30 C25 C24 123.7(9) . . ?
C25 C26 C27 122.8(9) . . ?
C28 C27 C26 120.5(10) . . ?
C29 C28 C27 118.3(9) . . ?
C29 C28 Cl3 121.1(8) . . ?
C27 C28 Cl3 120.4(8) . . ?
C28 C29 C30 120.9(10) . . ?
C25 C30 C29 121.6(11) . . ?
N1 C31 C32 122.5(9) . . ?
C33 C32 C31 119.5(9) . . ?
C32 C33 C34 118.2(9) . . ?
C32 C33 C41 121.4(10) . . ?
C34 C33 C41 120.4(10) . . ?
C33 C34 C35 120.6(9) . . ?
N1 C35 C34 120.3(8) . . ?
N1 C35 C36 116.8(8) . . ?
C34 C35 C36 122.9(8) . . ?
N2 C36 C37 122.2(8) . . ?
N2 C36 C35 115.1(7) . . ?
C37 C36 C35 122.6(8) . . ?
C38 C37 C36 121.5(9) . . ?
C39 C38 C37 115.7(8) . . ?
C39 C38 C42 122.3(9) . . ?
C37 C38 C42 122.0(9) . . ?
C38 C39 C40 121.6(9) . . ?
N2 C40 C39 121.7(9) . . ?

_refine_diff_density_max         0.474
_refine_diff_density_min         -0.679
_refine_diff_density_rms         0.079



####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1843987'
_audit_update_record             
;
2018-07-23 deposited with the CCDC.
2018-08-06 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            'C54 H31 Cl3 Dy F9 N2 O6'
_chemical_formula_weight         1243.66

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'
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'
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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   22.8133(14)
_cell_length_b                   17.1518(17)
_cell_length_c                   13.2046(9)
_cell_angle_alpha                90
_cell_angle_beta                 98.300(7)
_cell_angle_gamma                90
_cell_volume                     5112.7(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3058
_cell_measurement_theta_min      3.2660
_cell_measurement_theta_max      70.6390

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_F_000             2460
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    10.010
_shelx_estimated_absorpt_T_min   0.466
_shelx_estimated_absorpt_T_max   0.501
_exptl_absorpt_correction_T_min  0.15465
_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            17954
_diffrn_reflns_av_unetI/netI     0.1550
_diffrn_reflns_av_R_equivalents  0.1090
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.236
_diffrn_reflns_theta_max         67.249
_diffrn_reflns_theta_full        67.249
_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             9144
_reflns_number_gt                5248
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       '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    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0421P)²+7.6716P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9144
_refine_ls_number_parameters     676
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.1428
_refine_ls_R_factor_gt           0.0685
_refine_ls_wR_factor_ref         0.1756
_refine_ls_wR_factor_gt          0.1370
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_restrained_S_all      0.982
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.23550(2) 0.51451(3) 0.74675(4) 0.05112(17) Uani 1 1 d . . . . .
Cl1 Cl 0.37037(18) 0.7230(2) 0.2209(3) 0.1267(13) Uani 1 1 d . . . . .
Cl2 Cl 0.09995(15) 0.6048(2) 1.3296(2) 0.1081(11) Uani 1 1 d . . . . .
Cl3 Cl 0.40625(17) 0.22597(18) 1.2576(2) 0.1155(12) Uani 1 1 d . . . . .
F1 F 0.0661(3) 0.7320(5) 0.5575(7) 0.150(3) Uani 1 1 d . U . . .
F2 F 0.0456(3) 0.6207(5) 0.6097(8) 0.163(4) Uani 1 1 d . U . . .
F3 F 0.0701(4) 0.7106(6) 0.7146(8) 0.155(4) Uani 1 1 d . U . . .
F4 F 0.4295(3) 0.6344(7) 0.9302(8) 0.164(4) Uani 1 1 d . U . . .
F5 F 0.4378(3) 0.5156(6) 0.9197(7) 0.152(4) Uani 1 1 d . U . . .
F6 F 0.4279(3) 0.5670(6) 1.0597(5) 0.149(3) Uani 1 1 d . U . . .
F7 F 0.0579(4) 0.4581(7) 0.9224(10) 0.201(5) Uani 1 1 d . U . . .
F8 F 0.0405(3) 0.4210(8) 0.7688(8) 0.195(5) Uani 1 1 d . U . . .
F9 F 0.0536(3) 0.3434(6) 0.8830(7) 0.148(3) Uani 1 1 d . U . . .
N1 N 0.1906(3) 0.4540(4) 0.5778(5) 0.0544(18) Uani 1 1 d . . . . .
N2 N 0.3083(3) 0.4538(4) 0.6392(5) 0.0492(17) Uani 1 1 d . . . . .
O1 O 0.2638(2) 0.6080(3) 0.6356(4) 0.0561(15) Uani 1 1 d . . . . .
O2 O 0.1581(3) 0.6022(4) 0.7067(5) 0.0679(18) Uani 1 1 d . . . . .
O3 O 0.2176(2) 0.5617(4) 0.9036(4) 0.0575(16) Uani 1 1 d . . . . .
O4 O 0.3259(2) 0.5522(4) 0.8384(4) 0.0606(16) Uani 1 1 d . . . . .
O5 O 0.2618(3) 0.4054(4) 0.8480(5) 0.0673(18) Uani 1 1 d . . . . .
O6 O 0.1500(3) 0.4482(4) 0.7721(5) 0.0664(17) Uani 1 1 d . . . . .
C1 C 0.3333(6) 0.7078(7) 0.3261(8) 0.079(3) Uani 1 1 d . . . . .
C2 C 0.2832(6) 0.7491(6) 0.3335(8) 0.088(4) Uani 1 1 d . . . . .
H2 H 0.270122 0.786922 0.285029 0.105 Uiso 1 1 calc R U . . .
C3 C 0.2522(5) 0.7346(6) 0.4135(7) 0.074(3) Uani 1 1 d . . . . .
H3 H 0.217783 0.762205 0.419436 0.089 Uiso 1 1 calc R U . . .
C4 C 0.2730(4) 0.6778(5) 0.4857(6) 0.055(2) Uani 1 1 d . . . . .
C5 C 0.3245(4) 0.6380(6) 0.4786(7) 0.063(3) Uani 1 1 d . . . . .
H5 H 0.339063 0.601532 0.528065 0.076 Uiso 1 1 calc R U . . .
C6 C 0.3546(4) 0.6530(6) 0.3966(8) 0.071(3) Uani 1 1 d . . . . .
H6 H 0.389067 0.625906 0.389847 0.085 Uiso 1 1 calc R U . . .
C7 C 0.2385(4) 0.6553(5) 0.5694(6) 0.054(2) Uani 1 1 d . . . . .
C8 C 0.1801(4) 0.6810(6) 0.5700(7) 0.068(3) Uani 1 1 d . . . . .
H8 H 0.164488 0.719048 0.523614 0.081 Uiso 1 1 calc R U . . .
C9 C 0.1455(4) 0.6512(6) 0.6376(7) 0.062(3) Uani 1 1 d . . . . .
C10 C 0.0825(5) 0.6790(9) 0.6306(12) 0.096(4) Uani 1 1 d . . . . .
C11 C 0.1427(5) 0.5905(6) 1.2320(8) 0.075(3) Uani 1 1 d . . . . .
C12 C 0.1161(5) 0.5972(7) 1.1345(8) 0.090(4) Uani 1 1 d . . . . .
H12 H 0.075659 0.607173 1.119821 0.108 Uiso 1 1 calc R U . . .
C13 C 0.1504(5) 0.5888(6) 1.0564(8) 0.077(3) Uani 1 1 d . . . . .
H13 H 0.132883 0.592686 0.988496 0.092 Uiso 1 1 calc R U . . .
C14 C 0.2099(4) 0.5748(6) 1.0788(7) 0.061(2) Uani 1 1 d . . . . .
C15 C 0.2347(5) 0.5675(6) 1.1795(7) 0.073(3) Uani 1 1 d . . . . .
H15 H 0.274948 0.557004 1.195077 0.088 Uiso 1 1 calc R U . . .
C16 C 0.2014(5) 0.5753(7) 1.2574(8) 0.080(3) Uani 1 1 d . . . . .
H16 H 0.218528 0.570267 1.325421 0.096 Uiso 1 1 calc R U . . .
C17 C 0.2456(4) 0.5671(5) 0.9925(7) 0.059(2) Uani 1 1 d . . . . .
C18 C 0.3079(4) 0.5672(6) 1.0102(7) 0.069(3) Uani 1 1 d . . . . .
H18 H 0.327010 0.569866 1.077288 0.082 Uiso 1 1 calc R U . . .
C19 C 0.3415(4) 0.5637(6) 0.9328(7) 0.062(3) Uani 1 1 d . . . . .
C20 C 0.4088(5) 0.5687(12) 0.9606(9) 0.102(5) Uani 1 1 d . . . . .
C21 C 0.3573(6) 0.2638(7) 1.1563(9) 0.085(3) Uani 1 1 d . . . . .
C22 C 0.2988(6) 0.2500(6) 1.1526(8) 0.079(3) Uani 1 1 d . . . . .
H22 H 0.285305 0.218267 1.201437 0.095 Uiso 1 1 calc R U . . .
C23 C 0.2587(5) 0.2838(5) 1.0749(7) 0.067(3) Uani 1 1 d . . . . .
H23 H 0.218301 0.274511 1.072247 0.081 Uiso 1 1 calc R U . . .
C24 C 0.2788(4) 0.3314(6) 1.0011(7) 0.061(2) Uani 1 1 d . . . . .
C25 C 0.3384(5) 0.3417(6) 1.0065(8) 0.074(3) Uani 1 1 d . . . . .
H25 H 0.352656 0.372366 0.957303 0.089 Uiso 1 1 calc R U . . .
C26 C 0.3789(5) 0.3078(6) 1.0832(9) 0.086(3) Uani 1 1 d . . . . .
H26 H 0.419428 0.314786 1.084682 0.103 Uiso 1 1 calc R U . . .
C27 C 0.2389(4) 0.3730(5) 0.9201(7) 0.060(2) Uani 1 1 d . . . . .
C28 C 0.1771(4) 0.3777(6) 0.9248(7) 0.071(3) Uani 1 1 d . . . . .
H28 H 0.162426 0.355795 0.980499 0.085 Uiso 1 1 calc R U . . .
C29 C 0.1384(4) 0.4135(6) 0.8503(7) 0.067(3) Uani 1 1 d . . . . .
C30 C 0.0720(6) 0.4123(11) 0.8572(11) 0.106(5) Uani 1 1 d . . . . .
C31 C 0.3663(4) 0.4569(5) 0.6681(7) 0.056(2) Uani 1 1 d . . . . .
H31 H 0.380167 0.471284 0.735195 0.068 Uiso 1 1 calc R U . . .
C32 C 0.4076(4) 0.4396(6) 0.6030(7) 0.062(3) Uani 1 1 d . . . . .
H32 H 0.447811 0.441784 0.627719 0.074 Uiso 1 1 calc R U . . .
C33 C 0.3895(4) 0.4195(5) 0.5035(7) 0.055(2) Uani 1 1 d . . . . .
C34 C 0.4351(4) 0.4046(6) 0.4361(7) 0.058(2) Uani 1 1 d . . . . .
C35 C 0.4807(4) 0.3527(7) 0.4662(8) 0.077(3) Uani 1 1 d . . . . .
H35 H 0.482981 0.327413 0.528890 0.092 Uiso 1 1 calc R U . . .
C36 C 0.5230(5) 0.3385(8) 0.4029(9) 0.090(4) Uani 1 1 d . . . . .
H36 H 0.552793 0.302119 0.422265 0.108 Uiso 1 1 calc R U . . .
C37 C 0.5212(5) 0.3776(8) 0.3122(10) 0.091(4) Uani 1 1 d . . . . .
H37 H 0.550214 0.368697 0.270852 0.110 Uiso 1 1 calc R U . . .
C38 C 0.4765(5) 0.4301(7) 0.2819(9) 0.086(4) Uani 1 1 d . . . . .
H38 H 0.475732 0.456993 0.220628 0.104 Uiso 1 1 calc R U . . .
C39 C 0.4323(4) 0.4431(6) 0.3427(8) 0.069(3) Uani 1 1 d . . . . .
H39 H 0.401305 0.477138 0.321088 0.083 Uiso 1 1 calc R U . . .
C40 C 0.3283(4) 0.4135(5) 0.4699(6) 0.049(2) Uani 1 1 d . . . . .
C41 C 0.3032(4) 0.3870(5) 0.3705(6) 0.056(2) Uani 1 1 d . . . . .
H41 H 0.328303 0.373516 0.323756 0.067 Uiso 1 1 calc R U . . .
C42 C 0.2445(4) 0.3809(6) 0.3423(7) 0.062(3) Uani 1 1 d . . . . .
H42 H 0.230013 0.364367 0.276318 0.074 Uiso 1 1 calc R U . . .
C43 C 0.2042(4) 0.3991(5) 0.4107(6) 0.054(2) Uani 1 1 d . . . . .
C44 C 0.2263(3) 0.4296(5) 0.5078(6) 0.047(2) Uani 1 1 d . . . . .
C45 C 0.2895(3) 0.4318(5) 0.5415(6) 0.0439(19) Uani 1 1 d . . . . .
C46 C 0.1330(4) 0.4507(6) 0.5479(6) 0.059(2) Uani 1 1 d . . . . .
H46 H 0.108095 0.470724 0.591343 0.071 Uiso 1 1 calc R U . . .
C47 C 0.1073(4) 0.4188(6) 0.4546(7) 0.064(3) Uani 1 1 d . . . . .
H47 H 0.066257 0.415571 0.439595 0.077 Uiso 1 1 calc R U . . .
C48 C 0.1416(4) 0.3920(6) 0.3847(7) 0.058(2) Uani 1 1 d . . . . .
C49 C 0.1135(4) 0.3559(7) 0.2871(7) 0.064(3) Uani 1 1 d . . . . .
C50 C 0.0652(4) 0.3905(7) 0.2309(7) 0.076(3) Uani 1 1 d . . . . .
H50 H 0.051440 0.438423 0.250490 0.091 Uiso 1 1 calc R U . . .
C51 C 0.0370(5) 0.3526(9) 0.1444(8) 0.097(4) Uani 1 1 d . . . . .
H51 H 0.003911 0.375623 0.106762 0.116 Uiso 1 1 calc R U . . .
C52 C 0.0565(7) 0.2826(10) 0.1128(9) 0.110(5) Uani 1 1 d . . . . .
H52 H 0.037377 0.258968 0.053694 0.132 Uiso 1 1 calc R U . . .
C53 C 0.1044(6) 0.2476(8) 0.1693(9) 0.100(4) Uani 1 1 d . . . . .
H53 H 0.117292 0.199247 0.149596 0.120 Uiso 1 1 calc R U . . .
C54 C 0.1339(5) 0.2843(6) 0.2558(8) 0.078(3) Uani 1 1 d . . . . .
H54 H 0.167128 0.261140 0.292880 0.094 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O3 2.314(5) . ?
Dy1 O2 2.321(6) . ?
Dy1 O6 2.325(6) . ?
Dy1 O5 2.327(6) . ?
Dy1 O1 2.327(6) . ?
Dy1 O4 2.328(6) . ?
Dy1 N1 2.538(7) . ?
Dy1 N2 2.558(6) . ?
Cl1 C1 1.748(10) . ?
Cl2 C11 1.742(9) . ?
Cl3 C21 1.740(12) . ?
F1 C10 1.339(14) . ?
F2 C10 1.310(14) . ?
F3 C10 1.302(15) . ?
F4 C20 1.308(17) . ?
F5 C20 1.289(15) . ?
F6 C20 1.318(12) . ?
F7 C30 1.242(17) . ?
F8 C30 1.289(14) . ?
F9 C30 1.314(16) . ?
N1 C46 1.318(10) . ?
N1 C44 1.382(10) . ?
N2 C31 1.323(9) . ?
N2 C45 1.353(9) . ?
O1 C7 1.269(9) . ?
O2 C9 1.244(11) . ?
O3 C17 1.256(9) . ?
O4 C19 1.261(10) . ?
O5 C27 1.278(10) . ?
O6 C29 1.252(10) . ?
C1 C2 1.359(14) . ?
C1 C6 1.361(13) . ?
C2 C3 1.377(13) . ?
C3 C4 1.397(11) . ?
C4 C5 1.374(12) . ?
C4 C7 1.497(11) . ?
C5 C6 1.386(12) . ?
C7 C8 1.404(12) . ?
C8 C9 1.371(12) . ?
C9 C10 1.505(13) . ?
C11 C12 1.347(14) . ?
C11 C16 1.358(14) . ?
C12 C13 1.391(13) . ?
C13 C14 1.366(12) . ?
C14 C15 1.373(12) . ?
C14 C17 1.499(11) . ?
C15 C16 1.370(13) . ?
C17 C18 1.408(12) . ?
C18 C19 1.363(12) . ?
C19 C20 1.529(13) . ?
C21 C22 1.348(15) . ?
C21 C26 1.372(15) . ?
C22 C23 1.399(13) . ?
C23 C24 1.399(12) . ?
C24 C25 1.364(12) . ?
C24 C27 1.484(12) . ?
C25 C26 1.394(13) . ?
C27 C28 1.423(12) . ?
C28 C29 1.368(12) . ?
C29 C30 1.530(14) . ?
C31 C32 1.397(11) . ?
C32 C33 1.363(11) . ?
C33 C40 1.406(10) . ?
C33 C34 1.486(11) . ?
C34 C35 1.382(13) . ?
C34 C39 1.392(12) . ?
C35 C36 1.386(13) . ?
C36 C37 1.369(15) . ?
C37 C38 1.375(14) . ?
C38 C39 1.393(12) . ?
C40 C45 1.421(10) . ?
C40 C41 1.430(10) . ?
C41 C42 1.340(11) . ?
C42 C43 1.415(11) . ?
C43 C44 1.409(11) . ?
C43 C48 1.423(11) . ?
C44 C45 1.446(10) . ?
C46 C47 1.398(11) . ?
C47 C48 1.372(12) . ?
C48 C49 1.488(12) . ?
C49 C50 1.372(12) . ?
C49 C54 1.397(13) . ?
C50 C51 1.388(13) . ?
C51 C52 1.366(17) . ?
C52 C53 1.370(17) . ?
C53 C54 1.390(13) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Dy1 O2 75.6(2) . . ?
O3 Dy1 O6 77.4(2) . . ?
O2 Dy1 O6 74.0(2) . . ?
O3 Dy1 O5 80.3(2) . . ?
O2 Dy1 O5 140.9(2) . . ?
O6 Dy1 O5 71.1(2) . . ?
O3 Dy1 O1 115.1(2) . . ?
O2 Dy1 O1 71.4(2) . . ?
O6 Dy1 O1 138.0(2) . . ?
O5 Dy1 O1 147.6(2) . . ?
O3 Dy1 O4 72.2(2) . . ?
O2 Dy1 O4 121.8(2) . . ?
O6 Dy1 O4 139.5(2) . . ?
O5 Dy1 O4 77.8(2) . . ?
O1 Dy1 O4 80.3(2) . . ?
O3 Dy1 N1 146.0(2) . . ?
O2 Dy1 N1 82.4(2) . . ?
O6 Dy1 N1 71.7(2) . . ?
O5 Dy1 N1 102.3(2) . . ?
O1 Dy1 N1 80.8(2) . . ?
O4 Dy1 N1 141.7(2) . . ?
O3 Dy1 N2 148.4(2) . . ?
O2 Dy1 N2 132.1(2) . . ?
O6 Dy1 N2 120.5(2) . . ?
O5 Dy1 N2 81.8(2) . . ?
O1 Dy1 N2 70.7(2) . . ?
O4 Dy1 N2 78.7(2) . . ?
N1 Dy1 N2 63.7(2) . . ?
C46 N1 C44 116.4(7) . . ?
C46 N1 Dy1 122.6(6) . . ?
C44 N1 Dy1 120.7(5) . . ?
C31 N2 C45 117.0(7) . . ?
C31 N2 Dy1 121.7(5) . . ?
C45 N2 Dy1 120.0(5) . . ?
C7 O1 Dy1 137.4(5) . . ?
C9 O2 Dy1 133.9(6) . . ?
C17 O3 Dy1 137.0(6) . . ?
C19 O4 Dy1 131.2(6) . . ?
C27 O5 Dy1 132.7(6) . . ?
C29 O6 Dy1 129.3(6) . . ?
C2 C1 C6 122.1(10) . . ?
C2 C1 Cl1 119.2(9) . . ?
C6 C1 Cl1 118.7(10) . . ?
C1 C2 C3 119.4(10) . . ?
C2 C3 C4 119.2(11) . . ?
C5 C4 C3 120.6(9) . . ?
C5 C4 C7 118.0(8) . . ?
C3 C4 C7 121.3(9) . . ?
C4 C5 C6 119.0(9) . . ?
C1 C6 C5 119.6(10) . . ?
O1 C7 C8 122.2(8) . . ?
O1 C7 C4 116.0(8) . . ?
C8 C7 C4 121.6(8) . . ?
C9 C8 C7 121.5(9) . . ?
O2 C9 C8 129.5(9) . . ?
O2 C9 C10 112.1(10) . . ?
C8 C9 C10 118.4(10) . . ?
F3 C10 F2 106.6(12) . . ?
F3 C10 F1 105.0(12) . . ?
F2 C10 F1 105.2(11) . . ?
F3 C10 C9 113.7(11) . . ?
F2 C10 C9 110.6(11) . . ?
F1 C10 C9 115.1(11) . . ?
C12 C11 C16 123.0(10) . . ?
C12 C11 Cl2 118.1(10) . . ?
C16 C11 Cl2 118.9(8) . . ?
C11 C12 C13 118.4(11) . . ?
C14 C13 C12 120.4(10) . . ?
C13 C14 C15 118.9(9) . . ?
C13 C14 C17 118.8(8) . . ?
C15 C14 C17 122.3(9) . . ?
C16 C15 C14 121.5(10) . . ?
C11 C16 C15 117.8(10) . . ?
O3 C17 C18 121.3(8) . . ?
O3 C17 C14 117.3(8) . . ?
C18 C17 C14 121.4(8) . . ?
C19 C18 C17 122.6(8) . . ?
O4 C19 C18 129.7(9) . . ?
O4 C19 C20 112.0(9) . . ?
C18 C19 C20 118.1(9) . . ?
F5 C20 F4 104.6(11) . . ?
F5 C20 F6 106.5(13) . . ?
F4 C20 F6 104.0(13) . . ?
F5 C20 C19 114.7(12) . . ?
F4 C20 C19 111.7(13) . . ?
F6 C20 C19 114.4(9) . . ?
C22 C21 C26 121.7(11) . . ?
C22 C21 Cl3 119.0(10) . . ?
C26 C21 Cl3 119.3(11) . . ?
C21 C22 C23 119.6(11) . . ?
C24 C23 C22 120.4(10) . . ?
C25 C24 C23 117.7(9) . . ?
C25 C24 C27 118.7(9) . . ?
C23 C24 C27 123.6(9) . . ?
C24 C25 C26 122.3(11) . . ?
C21 C26 C25 118.2(12) . . ?
O5 C27 C28 121.5(8) . . ?
O5 C27 C24 118.1(9) . . ?
C28 C27 C24 120.4(9) . . ?
C29 C28 C27 122.3(9) . . ?
O6 C29 C28 127.9(9) . . ?
O6 C29 C30 112.6(9) . . ?
C28 C29 C30 119.5(10) . . ?
F7 C30 F8 112.8(16) . . ?
F7 C30 F9 105.4(11) . . ?
F8 C30 F9 100.5(14) . . ?
F7 C30 C29 113.0(13) . . ?
F8 C30 C29 111.8(10) . . ?
F9 C30 C29 112.5(13) . . ?
N2 C31 C32 123.2(8) . . ?
C33 C32 C31 120.7(8) . . ?
C32 C33 C40 118.0(8) . . ?
C32 C33 C34 118.8(8) . . ?
C40 C33 C34 123.2(8) . . ?
C35 C34 C39 119.8(9) . . ?
C35 C34 C33 120.0(9) . . ?
C39 C34 C33 120.2(9) . . ?
C34 C35 C36 120.0(11) . . ?
C37 C36 C35 120.3(12) . . ?
C36 C37 C38 120.2(11) . . ?
C37 C38 C39 120.3(12) . . ?
C34 C39 C38 119.3(11) . . ?
C33 C40 C45 117.4(8) . . ?
C33 C40 C41 124.2(8) . . ?
C45 C40 C41 118.4(7) . . ?
C42 C41 C40 122.2(8) . . ?
C41 C42 C43 121.4(8) . . ?
C44 C43 C42 118.8(8) . . ?
C44 C43 C48 117.8(8) . . ?
C42 C43 C48 123.3(8) . . ?
N1 C44 C43 123.6(7) . . ?
N1 C44 C45 116.3(7) . . ?
C43 C44 C45 120.0(7) . . ?
N2 C45 C40 123.6(7) . . ?
N2 C45 C44 117.8(7) . . ?
C40 C45 C44 118.6(7) . . ?
N1 C46 C47 123.7(8) . . ?
C48 C47 C46 121.0(8) . . ?
C47 C48 C43 117.3(8) . . ?
C47 C48 C49 120.3(8) . . ?
C43 C48 C49 122.4(8) . . ?
C50 C49 C54 119.7(10) . . ?
C50 C49 C48 120.0(10) . . ?
C54 C49 C48 120.2(9) . . ?
C49 C50 C51 118.9(11) . . ?
C52 C51 C50 122.0(12) . . ?
C51 C52 C53 119.2(12) . . ?
C52 C53 C54 120.2(13) . . ?
C53 C54 C49 119.9(11) . . ?

_refine_diff_density_max         0.901
_refine_diff_density_min         -0.716
_refine_diff_density_rms         0.090

