# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1837378'
_audit_update_record             
;
2018-04-16 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;
_audit_creation_date             2018-04-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.03 svn.r3497 for OlexSys, GUI svn.r5486)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C24 H16 Dy F3 N4 O5 S, 2(C H4 O)'
_chemical_formula_sum            'C26 H24 Dy F3 N4 O7 S'
_chemical_formula_weight         756.05
_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 0.0033 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'
Dy Dy -0.1892 4.4098 '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'
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'
S S 0.1246 0.1234 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_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                   12.574(3)
_cell_length_b                   17.674(3)
_cell_length_c                   13.177(3)
_cell_angle_alpha                90
_cell_angle_beta                 94.844(8)
_cell_angle_gamma                90
_cell_volume                     2918.0(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9405
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_shelx_estimated_absorpt_T_max   0.738
_shelx_estimated_absorpt_T_min   0.614
_exptl_absorpt_coefficient_mu    2.701
_exptl_absorpt_correction_T_max  0.7375
_exptl_absorpt_correction_T_min  0.6141
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    "'not measured'"
_exptl_crystal_description       prism
_exptl_crystal_F_000             1492
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0180
_diffrn_reflns_av_unetI/netI     0.0101
_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       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            31465
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.018
_diffrn_reflns_theta_max         25.018
_diffrn_reflns_theta_min         3.103
_diffrn_ambient_temperature      113.15
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4926
_reflns_number_total             5142
_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       'CrystalClear-SM Expert 2.1 b42'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b42 (Rigaku, 2015)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b42'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.691
_refine_diff_density_min         -0.565
_refine_diff_density_rms         0.077
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         5142
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0234
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0172P)²+8.4286P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0531
_refine_ls_wR_factor_ref         0.0536
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 H5A-H5B
 1.45 with sigma of 0.01
 O5-H5A = O5-H5B
 0.85 with sigma of 0.05
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C10(H10), C13(H13), C14(H14),
 C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C22(H22)
3.b Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C26(H26A,H26B,H26C)
3.c Idealised tetrahedral OH refined as rotating group:
 O6(H6), O7(H7A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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 0.13144(2) 0.00442(2) 0.93400(2) 0.01448(5) Uani 1 1 d . . . . .
S1 S -0.09961(8) 0.21381(6) 0.77990(7) 0.0399(2) Uani 1 1 d . . . . .
F1 F 0.2744(2) -0.09603(16) 0.6404(2) 0.0728(9) Uani 1 1 d . . . . .
F2 F 0.2911(2) 0.01229(15) 0.5779(2) 0.0694(9) Uani 1 1 d . . . . .
F3 F 0.1627(2) -0.0571(2) 0.5243(2) 0.0821(10) Uani 1 1 d . . . . .
O1 O -0.01325(15) -0.07251(11) 0.96943(15) 0.0160(4) Uani 1 1 d . . . . .
O2 O 0.24830(16) 0.10034(12) 0.89212(16) 0.0213(4) Uani 1 1 d . . . . .
O3 O 0.02283(17) 0.07792(12) 0.81947(16) 0.0243(5) Uani 1 1 d . . . . .
O4 O 0.15368(18) -0.03818(13) 0.76889(16) 0.0259(5) Uani 1 1 d . . . . .
O5 O 0.21661(18) 0.01694(14) 1.09763(16) 0.0250(5) Uani 1 1 d D . . . .
H5A H 0.284(2) 0.021(2) 1.111(3) 0.030 Uiso 1 1 d DR . . . .
H5B H 0.180(2) 0.041(2) 1.140(3) 0.030 Uiso 1 1 d DR . . . .
N1 N 0.1777(2) -0.13161(14) 0.95100(19) 0.0191(5) Uani 1 1 d . . . . .
N2 N 0.32427(19) -0.03174(14) 0.9189(2) 0.0204(5) Uani 1 1 d . . . . .
N3 N 0.3965(2) 0.02269(15) 0.8935(2) 0.0227(6) Uani 1 1 d . . . . .
N4 N 0.5245(2) 0.27971(17) 0.7865(2) 0.0339(7) Uani 1 1 d . . . . .
C1 C 0.0966(2) -0.18103(17) 0.9604(2) 0.0177(6) Uani 1 1 d . . . . .
C2 C -0.0059(2) -0.14828(17) 0.9699(2) 0.0177(6) Uani 1 1 d . . . . .
C3 C -0.0903(2) -0.19694(17) 0.9775(2) 0.0229(7) Uani 1 1 d . . . . .
H3 H -0.159699 -0.176945 0.983085 0.027 Uiso 1 1 calc R . . . .
C4 C -0.0754(3) -0.27626(18) 0.9772(3) 0.0275(7) Uani 1 1 d . . . . .
H4 H -0.135206 -0.308253 0.983205 0.033 Uiso 1 1 calc R . . . .
C5 C 0.0222(3) -0.30837(18) 0.9686(3) 0.0269(7) Uani 1 1 d . . . . .
H5 H 0.030179 -0.361825 0.968762 0.032 Uiso 1 1 calc R . . . .
C6 C 0.1112(3) -0.26085(17) 0.9594(2) 0.0227(6) Uani 1 1 d . . . . .
C7 C 0.2154(3) -0.28681(18) 0.9472(3) 0.0297(7) Uani 1 1 d . . . . .
H7 H 0.229326 -0.339620 0.946028 0.036 Uiso 1 1 calc R . . . .
C8 C 0.2964(3) -0.23665(19) 0.9371(3) 0.0309(8) Uani 1 1 d . . . . .
H8 H 0.366574 -0.254298 0.928902 0.037 Uiso 1 1 calc R . . . .
C9 C 0.2748(2) -0.15819(18) 0.9389(2) 0.0236(7) Uani 1 1 d . . . . .
C10 C 0.3555(3) -0.10118(18) 0.9223(3) 0.0263(7) Uani 1 1 d . . . . .
H10 H 0.427460 -0.114616 0.914481 0.032 Uiso 1 1 calc R . . . .
C11 C 0.3462(2) 0.08858(17) 0.8807(2) 0.0204(6) Uani 1 1 d . . . . .
C12 C 0.4105(2) 0.15400(18) 0.8474(2) 0.0219(6) Uani 1 1 d . . . . .
C13 C 0.5205(3) 0.1509(2) 0.8420(3) 0.0319(8) Uani 1 1 d . . . . .
H13 H 0.558960 0.105830 0.859320 0.038 Uiso 1 1 calc R . . . .
C14 C 0.5729(3) 0.2146(2) 0.8112(3) 0.0372(9) Uani 1 1 d . . . . .
H14 H 0.647850 0.211591 0.807397 0.045 Uiso 1 1 calc R . . . .
C15 C 0.4188(3) 0.2826(2) 0.7913(3) 0.0317(8) Uani 1 1 d . . . . .
H15 H 0.382620 0.328453 0.773402 0.038 Uiso 1 1 calc R . . . .
C16 C 0.3597(3) 0.22145(19) 0.8211(2) 0.0268(7) Uani 1 1 d . . . . .
H16 H 0.284642 0.225917 0.823565 0.032 Uiso 1 1 calc R . . . .
C17 C -0.1554(3) 0.2731(2) 0.6878(3) 0.0412(9) Uani 1 1 d . . . . .
H17 H -0.200336 0.314515 0.701233 0.049 Uiso 1 1 calc R . . . .
C18 C -0.1286(3) 0.2546(2) 0.5938(3) 0.0346(8) Uani 1 1 d . . . . .
H18 H -0.151982 0.281582 0.533624 0.042 Uiso 1 1 calc R . . . .
C19 C -0.0621(3) 0.19098(19) 0.5957(3) 0.0296(7) Uani 1 1 d . . . . .
H19 H -0.035987 0.169920 0.536265 0.035 Uiso 1 1 calc R . . . .
C20 C -0.0384(3) 0.16199(19) 0.6913(3) 0.0273(7) Uani 1 1 d . . . . .
C21 C 0.0281(3) 0.09795(18) 0.7276(2) 0.0256(7) Uani 1 1 d . . . . .
C22 C 0.0951(3) 0.0621(2) 0.6604(2) 0.0300(8) Uani 1 1 d . . . . .
H22 H 0.101015 0.083543 0.594981 0.036 Uiso 1 1 calc R . . . .
C23 C 0.1511(3) -0.00184(18) 0.6867(3) 0.0259(7) Uani 1 1 d . . . . .
C24 C 0.2220(3) -0.0363(2) 0.6081(3) 0.0362(9) Uani 1 1 d . . . . .
O6 O 0.58030(18) 0.96330(16) 0.8291(2) 0.0376(6) Uani 1 1 d . . . . .
H6 H 0.528750 0.984668 0.853900 0.056 Uiso 1 1 calc GR . . . .
C25 C 0.5586(4) 0.9566(4) 0.7235(4) 0.0746(18) Uani 1 1 d . . . . .
H25A H 0.548703 1.007047 0.693377 0.112 Uiso 1 1 calc GR . . . .
H25B H 0.493501 0.926731 0.708679 0.112 Uiso 1 1 calc GR . . . .
H25C H 0.618523 0.931295 0.694635 0.112 Uiso 1 1 calc GR . . . .
O7 O 0.1510(2) 0.09812(15) 0.25164(18) 0.0404(6) Uani 1 1 d . . . . .
H7A H 0.105435 0.132966 0.249582 0.061 Uiso 1 1 calc GR . . . .
C26 C 0.1499(3) 0.0592(2) 0.3435(3) 0.0447(10) Uani 1 1 d . . . . .
H26A H 0.192228 0.087121 0.397040 0.067 Uiso 1 1 calc GR . . . .
H26B H 0.180613 0.008733 0.336330 0.067 Uiso 1 1 calc GR . . . .
H26C H 0.076264 0.054494 0.361667 0.067 Uiso 1 1 calc GR . . . .


_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 Dy1 3.8661(8) 3_557 ?
Dy1 O1 2.3654(19) 3_557 ?
Dy1 O1 2.3494(19) . ?
Dy1 O2 2.340(2) . ?
Dy1 O3 2.341(2) . ?
Dy1 O4 2.341(2) . ?
Dy1 O5 2.336(2) . ?
Dy1 N1 2.479(2) . ?
Dy1 N2 2.531(2) . ?
S1 C17 1.709(4) . ?
S1 C20 1.717(4) . ?
F1 C24 1.296(5) . ?
F2 C24 1.307(4) . ?
F3 C24 1.330(5) . ?
O1 C2 1.342(4) . ?
O2 C11 1.270(4) . ?
O3 C21 1.269(4) . ?
O4 C23 1.257(4) . ?
O5 H5A 0.86(3) . ?
O5 H5B 0.86(3) . ?
N1 C1 1.356(4) . ?
N1 C9 1.331(4) . ?
N2 N3 1.383(4) . ?
N2 C10 1.288(4) . ?
N3 C11 1.329(4) . ?
N4 C14 1.329(5) . ?
N4 C15 1.337(5) . ?
C1 C2 1.427(4) . ?
C1 C6 1.423(4) . ?
C2 C3 1.376(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.414(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.365(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.412(4) . ?
C6 C7 1.411(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.366(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.414(5) . ?
C9 C10 1.458(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.498(4) . ?
C12 C13 1.392(5) . ?
C12 C16 1.383(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.381(5) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.387(5) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C17 C18 1.352(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.400(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.370(5) . ?
C20 C21 1.463(5) . ?
C21 C22 1.421(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.361(5) . ?
C23 C24 1.549(5) . ?
O6 H6 0.8400 . ?
O6 C25 1.399(5) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
O7 H7A 0.8400 . ?
O7 C26 1.393(5) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?

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 Dy1 35.05(5) . 3_557 ?
O1 Dy1 Dy1 34.78(5) 3_557 3_557 ?
O1 Dy1 O1 69.83(8) . 3_557 ?
O1 Dy1 N1 126.72(7) 3_557 . ?
O1 Dy1 N1 66.46(7) . . ?
O1 Dy1 N2 145.10(8) 3_557 . ?
O1 Dy1 N2 129.23(7) . . ?
O2 Dy1 Dy1 135.50(5) . 3_557 ?
O2 Dy1 O1 168.07(7) . . ?
O2 Dy1 O1 101.18(7) . 3_557 ?
O2 Dy1 O3 77.86(8) . . ?
O2 Dy1 O4 83.52(8) . . ?
O2 Dy1 N1 125.22(8) . . ?
O2 Dy1 N2 62.59(8) . . ?
O3 Dy1 Dy1 80.68(6) . 3_557 ?
O3 Dy1 O1 72.89(7) . 3_557 ?
O3 Dy1 O1 91.71(7) . . ?
O3 Dy1 N1 135.72(8) . . ?
O3 Dy1 N2 126.85(8) . . ?
O4 Dy1 Dy1 125.37(6) . 3_557 ?
O4 Dy1 O1 142.49(7) . 3_557 ?
O4 Dy1 O1 98.85(7) . . ?
O4 Dy1 O3 71.84(8) . . ?
O4 Dy1 N1 74.13(8) . . ?
O4 Dy1 N2 69.84(8) . . ?
O5 Dy1 Dy1 86.06(6) . 3_557 ?
O5 Dy1 O1 100.01(8) . . ?
O5 Dy1 O1 73.44(7) . 3_557 ?
O5 Dy1 O2 84.32(8) . . ?
O5 Dy1 O3 137.69(8) . . ?
O5 Dy1 O4 143.80(8) . . ?
O5 Dy1 N1 85.57(8) . . ?
O5 Dy1 N2 74.28(8) . . ?
N1 Dy1 Dy1 97.07(6) . 3_557 ?
N1 Dy1 N2 62.83(8) . . ?
N2 Dy1 Dy1 152.39(6) . 3_557 ?
C17 S1 C20 91.43(18) . . ?
Dy1 O1 Dy1 110.17(8) . 3_557 ?
C2 O1 Dy1 121.59(17) . . ?
C2 O1 Dy1 123.47(17) . 3_557 ?
C11 O2 Dy1 122.94(19) . . ?
C21 O3 Dy1 134.0(2) . . ?
C23 O4 Dy1 129.8(2) . . ?
Dy1 O5 H5A 125(2) . . ?
Dy1 O5 H5B 115(2) . . ?
H5A O5 H5B 113(3) . . ?
C1 N1 Dy1 117.40(19) . . ?
C9 N1 Dy1 122.8(2) . . ?
C9 N1 C1 119.2(3) . . ?
N3 N2 Dy1 119.76(18) . . ?
C10 N2 Dy1 121.9(2) . . ?
C10 N2 N3 117.8(3) . . ?
C11 N3 N2 109.0(2) . . ?
C14 N4 C15 117.2(3) . . ?
N1 C1 C2 116.0(3) . . ?
N1 C1 C6 122.6(3) . . ?
C6 C1 C2 121.4(3) . . ?
O1 C2 C1 117.8(3) . . ?
O1 C2 C3 124.8(3) . . ?
C3 C2 C1 117.4(3) . . ?
C2 C3 H3 119.5 . . ?
C2 C3 C4 121.0(3) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 H4 118.9 . . ?
C5 C4 C3 122.2(3) . . ?
C5 C4 H4 118.9 . . ?
C4 C5 H5 120.5 . . ?
C4 C5 C6 118.9(3) . . ?
C6 C5 H5 120.5 . . ?
C5 C6 C1 119.1(3) . . ?
C7 C6 C1 116.4(3) . . ?
C7 C6 C5 124.5(3) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 C6 120.5(3) . . ?
C8 C7 H7 119.7 . . ?
C7 C8 H8 120.4 . . ?
C7 C8 C9 119.3(3) . . ?
C9 C8 H8 120.4 . . ?
N1 C9 C8 121.9(3) . . ?
N1 C9 C10 115.5(3) . . ?
C8 C9 C10 122.6(3) . . ?
N2 C10 C9 116.8(3) . . ?
N2 C10 H10 121.6 . . ?
C9 C10 H10 121.6 . . ?
O2 C11 N3 125.7(3) . . ?
O2 C11 C12 117.4(3) . . ?
N3 C11 C12 116.8(3) . . ?
C13 C12 C11 123.2(3) . . ?
C16 C12 C11 119.3(3) . . ?
C16 C12 C13 117.5(3) . . ?
C12 C13 H13 120.5 . . ?
C14 C13 C12 118.9(3) . . ?
C14 C13 H13 120.5 . . ?
N4 C14 C13 123.9(3) . . ?
N4 C14 H14 118.0 . . ?
C13 C14 H14 118.0 . . ?
N4 C15 H15 118.6 . . ?
N4 C15 C16 122.9(3) . . ?
C16 C15 H15 118.6 . . ?
C12 C16 C15 119.6(3) . . ?
C12 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
S1 C17 H17 123.7 . . ?
C18 C17 S1 112.5(3) . . ?
C18 C17 H17 123.7 . . ?
C17 C18 H18 124.1 . . ?
C17 C18 C19 111.9(3) . . ?
C19 C18 H18 124.1 . . ?
C18 C19 H19 123.2 . . ?
C20 C19 C18 113.6(3) . . ?
C20 C19 H19 123.2 . . ?
C19 C20 S1 110.5(3) . . ?
C19 C20 C21 131.6(3) . . ?
C21 C20 S1 117.8(2) . . ?
O3 C21 C20 116.9(3) . . ?
O3 C21 C22 123.5(3) . . ?
C22 C21 C20 119.6(3) . . ?
C21 C22 H22 118.9 . . ?
C23 C22 C21 122.1(3) . . ?
C23 C22 H22 118.9 . . ?
O4 C23 C22 128.3(3) . . ?
O4 C23 C24 113.6(3) . . ?
C22 C23 C24 118.1(3) . . ?
F1 C24 F2 107.7(4) . . ?
F1 C24 F3 106.3(3) . . ?
F1 C24 C23 113.9(3) . . ?
F2 C24 F3 105.6(3) . . ?
F2 C24 C23 112.3(3) . . ?
F3 C24 C23 110.4(3) . . ?
C25 O6 H6 109.5 . . ?
O6 C25 H25A 109.5 . . ?
O6 C25 H25B 109.5 . . ?
O6 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C26 O7 H7A 109.5 . . ?
O7 C26 H26A 109.5 . . ?
O7 C26 H26B 109.5 . . ?
O7 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?

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 C2 C1 7.5(3) . . . . ?
Dy1 O1 C2 C1 -145.6(2) 3_557 . . . ?
Dy1 O1 C2 C3 -171.6(2) . . . . ?
Dy1 O1 C2 C3 35.3(4) 3_557 . . . ?
Dy1 O2 C11 N3 -2.2(4) . . . . ?
Dy1 O2 C11 C12 176.19(19) . . . . ?
Dy1 O3 C21 C20 -162.4(2) . . . . ?
Dy1 O3 C21 C22 17.0(5) . . . . ?
Dy1 O4 C23 C22 -29.3(5) . . . . ?
Dy1 O4 C23 C24 150.5(2) . . . . ?
Dy1 N1 C1 C2 -6.2(3) . . . . ?
Dy1 N1 C1 C6 172.9(2) . . . . ?
Dy1 N1 C9 C8 -172.5(3) . . . . ?
Dy1 N1 C9 C10 4.5(4) . . . . ?
Dy1 N2 N3 C11 -0.2(3) . . . . ?
Dy1 N2 C10 C9 -2.0(4) . . . . ?
S1 C17 C18 C19 0.4(4) . . . . ?
S1 C20 C21 O3 10.6(4) . . . . ?
S1 C20 C21 C22 -168.8(3) . . . . ?
O1 C2 C3 C4 179.9(3) . . . . ?
O2 C11 C12 C13 173.3(3) . . . . ?
O2 C11 C12 C16 -6.2(4) . . . . ?
O3 C21 C22 C23 6.9(5) . . . . ?
O4 C23 C24 F1 -1.4(5) . . . . ?
O4 C23 C24 F2 -124.2(4) . . . . ?
O4 C23 C24 F3 118.2(4) . . . . ?
N1 C1 C2 O1 -0.4(4) . . . . ?
N1 C1 C2 C3 178.8(3) . . . . ?
N1 C1 C6 C5 -179.4(3) . . . . ?
N1 C1 C6 C7 -0.5(5) . . . . ?
N1 C9 C10 N2 -1.5(5) . . . . ?
N2 N3 C11 O2 1.5(4) . . . . ?
N2 N3 C11 C12 -176.9(2) . . . . ?
N3 N2 C10 C9 -173.9(3) . . . . ?
N3 C11 C12 C13 -8.2(5) . . . . ?
N3 C11 C12 C16 172.3(3) . . . . ?
N4 C15 C16 C12 -0.1(5) . . . . ?
C1 N1 C9 C8 -1.0(5) . . . . ?
C1 N1 C9 C10 175.9(3) . . . . ?
C1 C2 C3 C4 0.8(5) . . . . ?
C1 C6 C7 C8 0.0(5) . . . . ?
C2 C1 C6 C5 -0.3(5) . . . . ?
C2 C1 C6 C7 178.5(3) . . . . ?
C2 C3 C4 C5 -0.5(5) . . . . ?
C3 C4 C5 C6 -0.2(5) . . . . ?
C4 C5 C6 C1 0.6(5) . . . . ?
C4 C5 C6 C7 -178.2(3) . . . . ?
C5 C6 C7 C8 178.8(3) . . . . ?
C6 C1 C2 O1 -179.5(3) . . . . ?
C6 C1 C2 C3 -0.4(4) . . . . ?
C6 C7 C8 C9 -0.1(5) . . . . ?
C7 C8 C9 N1 0.6(5) . . . . ?
C7 C8 C9 C10 -176.2(3) . . . . ?
C8 C9 C10 N2 175.4(3) . . . . ?
C9 N1 C1 C2 -178.1(3) . . . . ?
C9 N1 C1 C6 1.0(4) . . . . ?
C10 N2 N3 C11 171.8(3) . . . . ?
C11 C12 C13 C14 -179.5(3) . . . . ?
C11 C12 C16 C15 179.3(3) . . . . ?
C12 C13 C14 N4 0.5(6) . . . . ?
C13 C12 C16 C15 -0.2(5) . . . . ?
C14 N4 C15 C16 0.5(5) . . . . ?
C15 N4 C14 C13 -0.7(6) . . . . ?
C16 C12 C13 C14 0.0(5) . . . . ?
C17 S1 C20 C19 -0.1(3) . . . . ?
C17 S1 C20 C21 179.3(3) . . . . ?
C17 C18 C19 C20 -0.5(5) . . . . ?
C18 C19 C20 S1 0.3(4) . . . . ?
C18 C19 C20 C21 -178.9(3) . . . . ?
C19 C20 C21 O3 -170.1(3) . . . . ?
C19 C20 C21 C22 10.5(6) . . . . ?
C20 S1 C17 C18 -0.2(3) . . . . ?
C20 C21 C22 C23 -173.8(3) . . . . ?
C21 C22 C23 O4 0.0(6) . . . . ?
C21 C22 C23 C24 -179.8(3) . . . . ?
C22 C23 C24 F1 178.4(3) . . . . ?
C22 C23 C24 F2 55.7(5) . . . . ?
C22 C23 C24 F3 -62.0(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_shelx_sq
_database_code_depnum_ccdc_archive 'CCDC 1837398'
_audit_update_record             
;
2018-07-19 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;
_audit_creation_date             2018-07-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H38 Dy2 N8 O10'
_chemical_formula_sum            'C42 H38 Dy2 N8 O10'
_chemical_formula_weight         1139.80
_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 0.0033 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'
Dy Dy -0.1892 4.4098 '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'

_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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                   12.381(2)
_cell_length_b                   15.996(3)
_cell_length_c                   21.933(4)
_cell_angle_alpha                90
_cell_angle_beta                 90.001(4)
_cell_angle_gamma                90
_cell_volume                     4344.0(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6389
_cell_measurement_temperature    113.15
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_shelx_estimated_absorpt_T_max   0.680
_shelx_estimated_absorpt_T_min   0.543
_exptl_absorpt_coefficient_mu    3.480
_exptl_absorpt_correction_T_max  0.6798
_exptl_absorpt_correction_T_min  0.5423
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.743
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2232
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            21316
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.501
_diffrn_reflns_theta_min         3.152
_diffrn_ambient_temperature      113.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Xtalab P200'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'rotating anode'
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4415
_reflns_number_total             4976
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b42'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b42 (Rigaku, 2015)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b42'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.213
_refine_diff_density_min         -1.198
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     288
_refine_ls_number_reflns         4976
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0304
_refine_ls_restrained_S_all      1.165
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0232P)²+18.2930P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0690
_refine_ls_wR_factor_ref         0.0706
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 H5B-H5A
 1.4 with sigma of 0.01
 O5-H5B = O5-H5A
 0.85 with sigma of 0.01
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C10(H10), C13(H13), C14(H14),
 C15(H15), C16(H16), C19(H19)
3.b Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C21(H21A,H21B,H21C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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 0.66271(2) 0.23996(2) 0.42759(2) 0.01903(6) Uani 1 1 d . . . . .
O1 O 0.7024(2) 0.32742(15) 0.51212(12) 0.0198(5) Uani 1 1 d . . . . .
O2 O 0.6546(2) 0.13000(17) 0.36006(12) 0.0253(6) Uani 1 1 d . . . . .
O3 O 0.4770(2) 0.26244(18) 0.40771(14) 0.0295(6) Uani 1 1 d . . . . .
O4 O 0.5630(2) 0.16833(18) 0.50078(13) 0.0282(6) Uani 1 1 d . . . . .
O5 O 0.8387(2) 0.28502(17) 0.39055(13) 0.0248(6) Uani 1 1 d D . . . .
H5A H 0.838(3) 0.3269(17) 0.3665(14) 0.030 Uiso 1 1 d DR . . . .
H5B H 0.880(3) 0.295(2) 0.4207(12) 0.030 Uiso 1 1 d DR . . . .
N1 N 0.6429(2) 0.38859(19) 0.40441(15) 0.0203(6) Uani 1 1 d . . . . .
N2 N 0.6373(3) 0.2770(2) 0.31806(15) 0.0230(7) Uani 1 1 d . . . . .
N3 N 0.6364(3) 0.2145(2) 0.27446(15) 0.0257(7) Uani 1 1 d . . . . .
N4 N 0.6408(3) -0.0771(2) 0.18886(17) 0.0292(8) Uani 1 1 d . . . . .
C1 C 0.6450(3) 0.4424(2) 0.45187(19) 0.0210(8) Uani 1 1 d . . . . .
C2 C 0.6750(3) 0.4079(2) 0.50996(18) 0.0205(8) Uani 1 1 d . . . . .
C3 C 0.6692(3) 0.4604(2) 0.55979(19) 0.0238(8) Uani 1 1 d . . . . .
H3 H 0.687466 0.439686 0.599049 0.029 Uiso 1 1 calc R . . . .
C4 C 0.6365(3) 0.5445(2) 0.5533(2) 0.0268(9) Uani 1 1 d . . . . .
H4 H 0.632105 0.578583 0.588684 0.032 Uiso 1 1 calc R . . . .
C5 C 0.6110(3) 0.5789(2) 0.4981(2) 0.0258(9) Uani 1 1 d . . . . .
H5 H 0.590554 0.636015 0.495252 0.031 Uiso 1 1 calc R . . . .
C6 C 0.6154(3) 0.5284(2) 0.44507(19) 0.0232(8) Uani 1 1 d . . . . .
C7 C 0.5881(3) 0.5551(3) 0.3862(2) 0.0297(9) Uani 1 1 d . . . . .
H7 H 0.568239 0.611685 0.379506 0.036 Uiso 1 1 calc R . . . .
C8 C 0.5898(3) 0.5003(3) 0.3380(2) 0.0310(9) Uani 1 1 d . . . . .
H8 H 0.573293 0.519109 0.297980 0.037 Uiso 1 1 calc R . . . .
C9 C 0.6162(3) 0.4161(2) 0.34859(19) 0.0242(8) Uani 1 1 d . . . . .
C10 C 0.6160(3) 0.3518(3) 0.30122(19) 0.0264(8) Uani 1 1 d . . . . .
H10 H 0.600798 0.364997 0.259862 0.032 Uiso 1 1 calc R . . . .
C11 C 0.6461(3) 0.1417(2) 0.30197(19) 0.0234(8) Uani 1 1 d . . . . .
C12 C 0.6445(3) 0.0661(2) 0.26216(18) 0.0230(8) Uani 1 1 d . . . . .
C13 C 0.6304(3) 0.0717(3) 0.1993(2) 0.0280(9) Uani 1 1 d . . . . .
H13 H 0.620782 0.124507 0.180215 0.034 Uiso 1 1 calc R . . . .
C14 C 0.6307(3) -0.0007(3) 0.16544(19) 0.0291(9) Uani 1 1 d . . . . .
H14 H 0.623248 0.004165 0.122476 0.035 Uiso 1 1 calc R . . . .
C15 C 0.6533(4) -0.0824(3) 0.2498(2) 0.0309(9) Uani 1 1 d . . . . .
H15 H 0.659998 -0.136119 0.267812 0.037 Uiso 1 1 calc R . . . .
C16 C 0.6568(4) -0.0128(3) 0.2871(2) 0.0301(9) Uani 1 1 d . . . . .
H16 H 0.667558 -0.019050 0.329742 0.036 Uiso 1 1 calc R . . . .
C17 C 0.2892(4) 0.2523(3) 0.3867(2) 0.0384(11) Uani 1 1 d . . . . .
H17A H 0.251040 0.294590 0.410841 0.058 Uiso 1 1 calc GR . . . .
H17B H 0.242053 0.203829 0.380570 0.058 Uiso 1 1 calc GR . . . .
H17C H 0.309151 0.275974 0.347097 0.058 Uiso 1 1 calc GR . . . .
C18 C 0.3904(3) 0.2252(3) 0.4204(2) 0.0279(9) Uani 1 1 d . . . . .
C19 C 0.3821(3) 0.1626(3) 0.4653(2) 0.0345(10) Uani 1 1 d . . . . .
H19 H 0.315163 0.134107 0.469295 0.041 Uiso 1 1 calc R . . . .
C20 C 0.4644(3) 0.1404(3) 0.5036(2) 0.0343(10) Uani 1 1 d . . . . .
C21 C 0.4429(4) 0.0797(4) 0.5548(3) 0.0535(15) Uani 1 1 d . . . . .
H21A H 0.485579 0.028853 0.548478 0.080 Uiso 1 1 calc GR . . . .
H21B H 0.365970 0.065487 0.555614 0.080 Uiso 1 1 calc GR . . . .
H21C H 0.463356 0.105407 0.593744 0.080 Uiso 1 1 calc GR . . . .


_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 Dy1 3.8553(6) 7_656 ?
Dy1 O1 2.387(3) 7_656 ?
Dy1 O1 2.374(3) . ?
Dy1 O2 2.302(3) . ?
Dy1 O3 2.368(3) . ?
Dy1 O4 2.327(3) . ?
Dy1 O5 2.434(3) . ?
Dy1 N1 2.444(3) . ?
Dy1 N2 2.494(3) . ?
O1 C2 1.332(4) . ?
O2 C11 1.292(5) . ?
O3 C18 1.257(5) . ?
O4 C20 1.302(5) . ?
O5 H5A 0.853(10) . ?
O5 H5B 0.850(10) . ?
N1 C1 1.351(5) . ?
N1 C9 1.342(5) . ?
N2 N3 1.384(5) . ?
N2 C10 1.280(5) . ?
N3 C11 1.317(5) . ?
N4 C14 1.331(6) . ?
N4 C15 1.348(6) . ?
C1 C2 1.437(6) . ?
C1 C6 1.431(5) . ?
C2 C3 1.381(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.412(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.367(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.417(6) . ?
C6 C7 1.402(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.372(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.406(6) . ?
C9 C10 1.461(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.492(5) . ?
C12 C13 1.392(6) . ?
C12 C16 1.383(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.376(6) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.383(6) . ?
C16 H16 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C17 C18 1.517(6) . ?
C18 C19 1.410(6) . ?
C19 H19 0.9500 . ?
C19 C20 1.367(6) . ?
C20 C21 1.508(7) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?

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 Dy1 36.05(6) . 7_656 ?
O1 Dy1 Dy1 35.82(6) 7_656 7_656 ?
O1 Dy1 O1 71.87(10) . 7_656 ?
O1 Dy1 O5 84.31(9) . . ?
O1 Dy1 O5 72.09(9) 7_656 . ?
O1 Dy1 N1 128.68(9) 7_656 . ?
O1 Dy1 N1 67.04(10) . . ?
O1 Dy1 N2 136.80(9) 7_656 . ?
O1 Dy1 N2 129.67(9) . . ?
O2 Dy1 Dy1 128.20(7) . 7_656 ?
O2 Dy1 O1 164.15(9) . . ?
O2 Dy1 O1 92.41(9) . 7_656 ?
O2 Dy1 O3 87.42(10) . . ?
O2 Dy1 O4 92.54(10) . . ?
O2 Dy1 O5 92.91(10) . . ?
O2 Dy1 N1 127.24(10) . . ?
O2 Dy1 N2 63.65(10) . . ?
O3 Dy1 Dy1 133.12(7) . 7_656 ?
O3 Dy1 O1 148.21(10) . 7_656 ?
O3 Dy1 O1 104.80(9) . . ?
O3 Dy1 O5 139.70(10) . . ?
O3 Dy1 N1 73.51(10) . . ?
O3 Dy1 N2 70.36(10) . . ?
O4 Dy1 Dy1 76.72(7) . 7_656 ?
O4 Dy1 O1 82.03(10) . . ?
O4 Dy1 O1 76.52(9) . 7_656 ?
O4 Dy1 O3 71.73(10) . . ?
O4 Dy1 O5 148.32(10) . . ?
O4 Dy1 N1 124.70(10) . . ?
O4 Dy1 N2 135.59(10) . . ?
O5 Dy1 Dy1 75.43(7) . 7_656 ?
O5 Dy1 N1 74.48(10) . . ?
O5 Dy1 N2 73.81(10) . . ?
N1 Dy1 Dy1 98.44(8) . 7_656 ?
N1 Dy1 N2 63.63(11) . . ?
N2 Dy1 Dy1 147.62(7) . 7_656 ?
Dy1 O1 Dy1 108.13(10) . 7_656 ?
C2 O1 Dy1 129.4(2) . 7_656 ?
C2 O1 Dy1 119.3(2) . . ?
C11 O2 Dy1 121.8(2) . . ?
C18 O3 Dy1 135.7(3) . . ?
C20 O4 Dy1 134.4(3) . . ?
Dy1 O5 H5A 116(3) . . ?
Dy1 O5 H5B 109(3) . . ?
H5A O5 H5B 109.9(17) . . ?
C1 N1 Dy1 117.2(3) . . ?
C9 N1 Dy1 122.2(2) . . ?
C9 N1 C1 119.9(3) . . ?
N3 N2 Dy1 119.7(2) . . ?
C10 N2 Dy1 121.7(3) . . ?
C10 N2 N3 118.3(3) . . ?
C11 N3 N2 108.7(3) . . ?
C14 N4 C15 116.8(4) . . ?
N1 C1 C2 116.3(3) . . ?
N1 C1 C6 121.8(4) . . ?
C6 C1 C2 121.8(4) . . ?
O1 C2 C1 117.9(3) . . ?
O1 C2 C3 125.0(4) . . ?
C3 C2 C1 117.0(3) . . ?
C2 C3 H3 119.5 . . ?
C2 C3 C4 121.0(4) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 H4 118.7 . . ?
C5 C4 C3 122.6(4) . . ?
C5 C4 H4 118.7 . . ?
C4 C5 H5 120.4 . . ?
C4 C5 C6 119.2(4) . . ?
C6 C5 H5 120.4 . . ?
C5 C6 C1 118.2(4) . . ?
C7 C6 C1 116.8(4) . . ?
C7 C6 C5 124.9(4) . . ?
C6 C7 H7 119.6 . . ?
C8 C7 C6 120.8(4) . . ?
C8 C7 H7 119.6 . . ?
C7 C8 H8 120.4 . . ?
C7 C8 C9 119.2(4) . . ?
C9 C8 H8 120.4 . . ?
N1 C9 C8 121.5(4) . . ?
N1 C9 C10 114.7(3) . . ?
C8 C9 C10 123.8(4) . . ?
N2 C10 C9 116.9(4) . . ?
N2 C10 H10 121.6 . . ?
C9 C10 H10 121.6 . . ?
O2 C11 N3 126.0(4) . . ?
O2 C11 C12 117.4(3) . . ?
N3 C11 C12 116.6(4) . . ?
C13 C12 C11 121.9(4) . . ?
C16 C12 C11 120.4(4) . . ?
C16 C12 C13 117.7(4) . . ?
C12 C13 H13 120.7 . . ?
C14 C13 C12 118.7(4) . . ?
C14 C13 H13 120.7 . . ?
N4 C14 C13 124.4(4) . . ?
N4 C14 H14 117.8 . . ?
C13 C14 H14 117.8 . . ?
N4 C15 H15 118.7 . . ?
N4 C15 C16 122.7(4) . . ?
C16 C15 H15 118.7 . . ?
C12 C16 H16 120.1 . . ?
C15 C16 C12 119.8(4) . . ?
C15 C16 H16 120.1 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
C18 C17 H17C 109.5 . . ?
O3 C18 C17 117.5(4) . . ?
O3 C18 C19 123.6(4) . . ?
C19 C18 C17 118.9(4) . . ?
C18 C19 H19 118.0 . . ?
C20 C19 C18 124.1(4) . . ?
C20 C19 H19 118.0 . . ?
O4 C20 C19 125.4(4) . . ?
O4 C20 C21 114.9(4) . . ?
C19 C20 C21 119.6(4) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?

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 C2 C1 -13.8(4) . . . . ?
Dy1 O1 C2 C1 143.3(3) 7_656 . . . ?
Dy1 O1 C2 C3 -39.2(5) 7_656 . . . ?
Dy1 O1 C2 C3 163.7(3) . . . . ?
Dy1 O2 C11 N3 -3.2(5) . . . . ?
Dy1 O2 C11 C12 178.4(2) . . . . ?
Dy1 O3 C18 C17 -167.3(3) . . . . ?
Dy1 O3 C18 C19 15.2(6) . . . . ?
Dy1 O4 C20 C19 -14.8(7) . . . . ?
Dy1 O4 C20 C21 166.2(4) . . . . ?
Dy1 N1 C1 C2 9.1(4) . . . . ?
Dy1 N1 C1 C6 -168.8(3) . . . . ?
Dy1 N1 C9 C8 170.6(3) . . . . ?
Dy1 N1 C9 C10 -8.7(4) . . . . ?
Dy1 N2 N3 C11 2.4(4) . . . . ?
Dy1 N2 C10 C9 5.0(5) . . . . ?
O1 C2 C3 C4 -178.3(3) . . . . ?
O2 C11 C12 C13 176.8(4) . . . . ?
O2 C11 C12 C16 -3.0(5) . . . . ?
O3 C18 C19 C20 5.8(7) . . . . ?
N1 C1 C2 O1 2.7(5) . . . . ?
N1 C1 C2 C3 -174.9(3) . . . . ?
N1 C1 C6 C5 174.7(3) . . . . ?
N1 C1 C6 C7 -2.5(5) . . . . ?
N1 C9 C10 N2 2.3(5) . . . . ?
N2 N3 C11 O2 0.4(5) . . . . ?
N2 N3 C11 C12 178.8(3) . . . . ?
N3 N2 C10 C9 179.2(3) . . . . ?
N3 C11 C12 C13 -1.7(6) . . . . ?
N3 C11 C12 C16 178.5(4) . . . . ?
N4 C15 C16 C12 1.6(7) . . . . ?
C1 N1 C9 C8 -0.2(5) . . . . ?
C1 N1 C9 C10 -179.6(3) . . . . ?
C1 C2 C3 C4 -0.8(5) . . . . ?
C1 C6 C7 C8 0.2(6) . . . . ?
C2 C1 C6 C5 -3.1(5) . . . . ?
C2 C1 C6 C7 179.8(3) . . . . ?
C2 C3 C4 C5 -1.2(6) . . . . ?
C3 C4 C5 C6 1.1(6) . . . . ?
C4 C5 C6 C1 1.0(5) . . . . ?
C4 C5 C6 C7 177.9(4) . . . . ?
C5 C6 C7 C8 -176.7(4) . . . . ?
C6 C1 C2 O1 -179.4(3) . . . . ?
C6 C1 C2 C3 3.0(5) . . . . ?
C6 C7 C8 C9 1.9(6) . . . . ?
C7 C8 C9 N1 -1.9(6) . . . . ?
C7 C8 C9 C10 177.3(4) . . . . ?
C8 C9 C10 N2 -177.1(4) . . . . ?
C9 N1 C1 C2 -179.6(3) . . . . ?
C9 N1 C1 C6 2.5(5) . . . . ?
C10 N2 N3 C11 -171.9(4) . . . . ?
C11 C12 C13 C14 179.4(4) . . . . ?
C11 C12 C16 C15 178.9(4) . . . . ?
C12 C13 C14 N4 1.9(6) . . . . ?
C13 C12 C16 C15 -0.9(6) . . . . ?
C14 N4 C15 C16 -0.6(6) . . . . ?
C15 N4 C14 C13 -1.2(6) . . . . ?
C16 C12 C13 C14 -0.8(6) . . . . ?
C17 C18 C19 C20 -171.6(4) . . . . ?
C18 C19 C20 O4 -6.0(8) . . . . ?
C18 C19 C20 C21 172.9(5) . . . . ?

_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.198 0.250 99 27 ' '
2 0.000 0.802 0.750 99 27 ' '
3 0.500 0.302 0.750 99 27 ' '
4 0.500 0.698 0.250 99 27 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_shelxl
_database_code_depnum_ccdc_archive 'CCDC 1837392'
_audit_update_record             
;
2018-04-16 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;
_audit_creation_date             2018-04-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.03 svn.r3497 for OlexSys, GUI svn.r5486)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C26 H18 Dy F3 N4 O5, 2(C H4 O)'
_chemical_formula_sum            'C28 H26 Dy F3 N4 O7'
_chemical_formula_weight         750.03
_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 0.0033 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'
Dy Dy -0.1892 4.4098 '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'
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'

_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_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                   12.476(3)
_cell_length_b                   17.978(4)
_cell_length_c                   13.392(3)
_cell_angle_alpha                90
_cell_angle_beta                 90.77(3)
_cell_angle_gamma                90
_cell_volume                     3003.7(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8475
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8944
_cell_measurement_theta_min      1.8963
_shelx_estimated_absorpt_T_max   0.749
_shelx_estimated_absorpt_T_min   0.629
_exptl_absorpt_coefficient_mu    2.557
_exptl_absorpt_correction_T_max  0.7490
_exptl_absorpt_correction_T_min  0.6288
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1484
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_unetI/netI     0.0240
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            27255
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.013
_diffrn_reflns_theta_max         25.013
_diffrn_reflns_theta_min         1.896
_diffrn_ambient_temperature      113.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4990
_reflns_number_total             5290
_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       crystalclear
_computing_data_collection       crystalclear
_computing_data_reduction        crystalclear
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.621
_refine_diff_density_min         -1.021
_refine_diff_density_rms         0.240
_refine_ls_extinction_coef       0.0074(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.302
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         5290
_refine_ls_number_restraints     81
_refine_ls_R_factor_all          0.0339
_refine_ls_R_factor_gt           0.0298
_refine_ls_restrained_S_all      1.315
_refine_ls_shift/su_max          0.081
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0388P)²+2.8989P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0745
_refine_ls_wR_factor_ref         0.0832
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 C26-F1 = C26-F2 = C26-F3 = C26-F1' = C26-F2' = C26-F3'
 1.35 with sigma of 0.01
 H5A-H5B
 1.45 with sigma of 0.01
 O5-H5A = O5-H5B
 0.85 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
F1 \\sim F2 \\sim F3 \\sim F1' \\sim F2' \\sim F3': within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(F1) \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(F1') \\sim
Ueq, Uanis(F2') \\sim Ueq, Uanis(F3') \\sim Ueq: with sigma of 0.01 and sigma
for terminal atoms of 0.02
4. Others
 Sof(F1')=Sof(F2')=Sof(F3')=1-FVAR(1)
 Sof(F1)=Sof(F2)=Sof(F3)=FVAR(1)
5.a Riding coordinates:
 O6(H6), C27(H27A,H27B,H27C)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C10(H10), C13(H13), C14(H14),
 C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C24(H24)
5.c Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C)
5.d Idealised tetrahedral OH refined as rotating group:
 O7(H7A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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 0.63778(2) 0.00673(2) 0.56347(2) 0.01737(10) Uani 1 1 d . . . . .
F1 F 0.7837(5) 0.0157(2) 0.9533(4) 0.0687(17) Uani 0.820(8) 1 d D U P A 1
F2 F 0.6948(4) -0.0833(4) 0.9423(5) 0.088(2) Uani 0.820(8) 1 d D U P A 1
F3 F 0.8294(4) -0.0673(4) 0.8510(3) 0.0768(19) Uani 0.820(8) 1 d D U P A 1
F1' F 0.723(2) -0.0151(15) 0.9824(8) 0.068(5) Uani 0.180(8) 1 d D U P A 2
F2' F 0.746(2) -0.1082(6) 0.8899(19) 0.071(5) Uani 0.180(8) 1 d D U P A 2
F3' F 0.8464(10) -0.0132(17) 0.876(2) 0.081(6) Uani 0.180(8) 1 d D U P A 2
O1 O 0.49095(19) -0.07236(14) 0.53393(19) 0.0176(5) Uani 1 1 d . . . . .
O2 O 0.7531(2) 0.10430(15) 0.6029(2) 0.0268(6) Uani 1 1 d . . . . .
O3 O 0.5369(2) 0.08007(15) 0.67246(19) 0.0248(6) Uani 1 1 d . . . . .
O4 O 0.6736(2) -0.03486(16) 0.7260(2) 0.0274(6) Uani 1 1 d . . . . .
N1 N 0.6887(3) -0.12528(17) 0.5488(2) 0.0210(7) Uani 1 1 d . . . . .
N2 N 0.8350(3) -0.0232(2) 0.5799(3) 0.0241(7) Uani 1 1 d . . . . .
N3 N 0.9065(3) 0.0325(2) 0.6055(3) 0.0261(7) Uani 1 1 d . . . . .
N4 N 1.0227(4) 0.2899(3) 0.7162(3) 0.0524(13) Uani 1 1 d . . . . .
C1 C 0.6087(3) -0.1756(2) 0.5400(3) 0.0205(8) Uani 1 1 d . . . . .
C2 C 0.5016(3) -0.1460(2) 0.5343(3) 0.0192(8) Uani 1 1 d . . . . .
C3 C 0.4185(3) -0.1963(2) 0.5292(3) 0.0241(9) Uani 1 1 d . . . . .
H3 H 0.346912 -0.178420 0.525295 0.029 Uiso 1 1 calc R . . . .
C4 C 0.4367(4) -0.2734(2) 0.5295(3) 0.0313(10) Uani 1 1 d . . . . .
H4 H 0.377180 -0.306338 0.526190 0.038 Uiso 1 1 calc R . . . .
C5 C 0.5389(4) -0.3025(2) 0.5345(3) 0.0310(10) Uani 1 1 d . . . . .
H5 H 0.549683 -0.354837 0.533603 0.037 Uiso 1 1 calc R . . . .
C6 C 0.6273(3) -0.2537(2) 0.5409(3) 0.0272(9) Uani 1 1 d . . . . .
C7 C 0.7350(4) -0.2767(2) 0.5505(3) 0.0330(10) Uani 1 1 d . . . . .
H7 H 0.751974 -0.328208 0.549910 0.040 Uiso 1 1 calc R . . . .
C8 C 0.8151(3) -0.2253(2) 0.5606(3) 0.0320(10) Uani 1 1 d . . . . .
H8 H 0.887378 -0.241160 0.568365 0.038 Uiso 1 1 calc R . . . .
C9 C 0.7905(3) -0.1491(2) 0.5596(3) 0.0259(9) Uani 1 1 d . . . . .
C10 C 0.8689(3) -0.0907(2) 0.5768(3) 0.0273(9) Uani 1 1 d . . . . .
H10 H 0.942874 -0.101989 0.585514 0.033 Uiso 1 1 calc R . . . .
C11 C 0.8533(3) 0.0957(2) 0.6167(3) 0.0256(9) Uani 1 1 d . . . . .
C12 C 0.9149(4) 0.1621(2) 0.6517(3) 0.0298(10) Uani 1 1 d . . . . .
C13 C 1.0267(4) 0.1655(3) 0.6523(3) 0.0396(11) Uani 1 1 d . . . . .
H13 H 1.068198 0.124351 0.630864 0.047 Uiso 1 1 calc R . . . .
C14 C 1.0756(5) 0.2304(3) 0.6850(4) 0.0511(15) Uani 1 1 d . . . . .
H14 H 1.151676 0.232376 0.685204 0.061 Uiso 1 1 calc R . . . .
C15 C 0.9159(5) 0.2864(3) 0.7159(3) 0.0422(12) Uani 1 1 d . . . . .
H15 H 0.876825 0.328419 0.738500 0.051 Uiso 1 1 calc R . . . .
C16 C 0.8594(4) 0.2241(2) 0.6842(3) 0.0344(10) Uani 1 1 d . . . . .
H16 H 0.783262 0.223952 0.684754 0.041 Uiso 1 1 calc R . . . .
C17 C 0.4583(4) 0.2199(2) 0.7278(3) 0.0346(10) Uani 1 1 d . . . . .
H17 H 0.484326 0.216261 0.661667 0.041 Uiso 1 1 calc R . . . .
C18 C 0.4015(4) 0.2823(3) 0.7567(4) 0.0470(13) Uani 1 1 d . . . . .
H18 H 0.391627 0.322203 0.711043 0.056 Uiso 1 1 calc R . . . .
C19 C 0.3589(4) 0.2870(3) 0.8512(4) 0.0409(12) Uani 1 1 d . . . . .
H19 H 0.318459 0.329367 0.870049 0.049 Uiso 1 1 calc R . . . .
C20 C 0.3756(4) 0.2296(3) 0.9179(4) 0.0360(11) Uani 1 1 d . . . . .
H20 H 0.345868 0.232175 0.982757 0.043 Uiso 1 1 calc R . . . .
C21 C 0.4355(3) 0.1681(2) 0.8907(3) 0.0290(9) Uani 1 1 d . . . . .
H21 H 0.447988 0.129408 0.937787 0.035 Uiso 1 1 calc R . . . .
C22 C 0.4775(3) 0.1623(2) 0.7956(3) 0.0258(9) Uani 1 1 d . . . . .
C23 C 0.5435(3) 0.0975(2) 0.7630(3) 0.0254(9) Uani 1 1 d . . . . .
C24 C 0.6107(3) 0.0609(2) 0.8332(3) 0.0283(9) Uani 1 1 d . . . . .
H24 H 0.614372 0.079128 0.899737 0.034 Uiso 1 1 calc R . . . .
C25 C 0.6710(4) -0.0003(2) 0.8082(3) 0.0257(9) Uani 1 1 d . . . . .
C26 C 0.7448(3) -0.0339(2) 0.8882(3) 0.0333(10) Uani 1 1 d D . . . .
O6 O 0.0992(3) 0.9857(2) 0.6839(3) 0.0484(10) Uani 1 1 d . . . . .
H6 H 0.041156 0.997751 0.655850 0.073 Uiso 1 1 d R . . . .
C27 C 0.0937(6) 1.0011(4) 0.7872(5) 0.071(2) Uani 1 1 d . . . . .
H27A H 0.101117 1.054755 0.798253 0.107 Uiso 1 1 d R . . . .
H27B H 0.151776 0.974875 0.822393 0.107 Uiso 1 1 d R . . . .
H27C H 0.024506 0.984285 0.812713 0.107 Uiso 1 1 d R . . . .
O7 O 0.1136(4) 0.4262(3) 0.7429(3) 0.0743(15) Uani 1 1 d . . . . .
H7A H 0.098325 0.380725 0.745253 0.111 Uiso 1 1 calc GR . . . .
C28 C 0.1269(4) 0.4473(3) 0.6447(4) 0.0487(13) Uani 1 1 d . . . . .
H28A H 0.147292 0.499874 0.642059 0.073 Uiso 1 1 calc GR . . . .
H28B H 0.059530 0.439918 0.607526 0.073 Uiso 1 1 calc GR . . . .
H28C H 0.183336 0.416994 0.614710 0.073 Uiso 1 1 calc GR . . . .
O5 O 0.7067(2) 0.01379(17) 0.4022(2) 0.0285(7) Uani 1 1 d D . . . .
H5A H 0.7703(13) 0.008(2) 0.381(3) 0.034 Uiso 1 1 d DR . . . .
H5B H 0.660(2) 0.028(3) 0.359(2) 0.034 Uiso 1 1 d DR . . . .


_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 Dy1 3.8223(11) 3_656 ?
Dy1 O1 2.370(2) 3_656 ?
Dy1 O1 2.348(3) . ?
Dy1 O2 2.325(3) . ?
Dy1 O3 2.346(3) . ?
Dy1 O4 2.338(3) . ?
Dy1 N1 2.465(3) . ?
Dy1 N2 2.526(3) . ?
Dy1 O5 2.339(3) . ?
F1 C26 1.333(5) . ?
F2 C26 1.309(5) . ?
F3 C26 1.319(5) . ?
F1' C26 1.337(10) . ?
F2' C26 1.335(10) . ?
F3' C26 1.333(10) . ?
O1 C2 1.330(4) . ?
O2 C11 1.271(5) . ?
O3 C23 1.254(5) . ?
O4 C25 1.266(5) . ?
N1 C1 1.352(5) . ?
N1 C9 1.346(5) . ?
N2 N3 1.381(5) . ?
N2 C10 1.286(5) . ?
N3 C11 1.326(5) . ?
N4 C14 1.327(8) . ?
N4 C15 1.335(7) . ?
C1 C2 1.439(5) . ?
C1 C6 1.423(5) . ?
C2 C3 1.377(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.405(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.379(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.411(6) . ?
C6 C7 1.410(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.366(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.405(6) . ?
C9 C10 1.451(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.492(6) . ?
C12 C13 1.396(6) . ?
C12 C16 1.386(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.384(7) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.387(6) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C17 C18 1.385(6) . ?
C17 C22 1.396(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.382(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.379(7) . ?
C20 H20 0.9500 . ?
C20 C21 1.386(6) . ?
C21 H21 0.9500 . ?
C21 C22 1.388(6) . ?
C22 C23 1.494(6) . ?
C23 C24 1.414(6) . ?
C24 H24 0.9500 . ?
C24 C25 1.376(6) . ?
C25 C26 1.527(6) . ?
O6 H6 0.8400 . ?
O6 C27 1.414(8) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9801 . ?
O7 H7A 0.8400 . ?
O7 C28 1.381(6) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
O5 H5A 0.850(10) . ?
O5 H5B 0.849(10) . ?

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 Dy1 36.08(6) . 3_656 ?
O1 Dy1 Dy1 35.70(6) 3_656 3_656 ?
O1 Dy1 O1 71.78(10) . 3_656 ?
O1 Dy1 N1 127.52(9) 3_656 . ?
O1 Dy1 N1 66.73(10) . . ?
O1 Dy1 N2 143.73(10) 3_656 . ?
O1 Dy1 N2 129.99(10) . . ?
O2 Dy1 Dy1 134.32(7) . 3_656 ?
O2 Dy1 O1 99.31(9) . 3_656 ?
O2 Dy1 O1 166.91(9) . . ?
O2 Dy1 O3 76.70(10) . . ?
O2 Dy1 O4 85.43(10) . . ?
O2 Dy1 N1 125.82(10) . . ?
O2 Dy1 N2 62.73(10) . . ?
O2 Dy1 O5 86.24(11) . . ?
O3 Dy1 Dy1 79.95(7) . 3_656 ?
O3 Dy1 O1 91.23(9) . . ?
O3 Dy1 O1 72.39(9) . 3_656 ?
O3 Dy1 N1 137.01(10) . . ?
O3 Dy1 N2 126.57(11) . . ?
O4 Dy1 Dy1 123.58(8) . 3_656 ?
O4 Dy1 O1 142.27(9) . 3_656 ?
O4 Dy1 O1 95.85(10) . . ?
O4 Dy1 O3 72.42(10) . . ?
O4 Dy1 N1 73.73(10) . . ?
O4 Dy1 N2 71.17(11) . . ?
O4 Dy1 O5 143.97(10) . . ?
N1 Dy1 Dy1 97.75(7) . 3_656 ?
N1 Dy1 N2 63.26(11) . . ?
N2 Dy1 Dy1 153.47(8) . 3_656 ?
O5 Dy1 Dy1 86.13(8) . 3_656 ?
O5 Dy1 O1 99.96(10) . . ?
O5 Dy1 O1 73.71(10) . 3_656 ?
O5 Dy1 O3 138.68(10) . . ?
O5 Dy1 N1 83.15(11) . . ?
O5 Dy1 N2 73.86(11) . . ?
Dy1 O1 Dy1 108.22(10) . 3_656 ?
C2 O1 Dy1 121.6(2) . . ?
C2 O1 Dy1 124.3(2) . 3_656 ?
C11 O2 Dy1 123.1(3) . . ?
C23 O3 Dy1 135.5(3) . . ?
C25 O4 Dy1 130.3(3) . . ?
C1 N1 Dy1 117.4(2) . . ?
C9 N1 Dy1 122.8(3) . . ?
C9 N1 C1 119.4(3) . . ?
N3 N2 Dy1 119.5(3) . . ?
C10 N2 Dy1 121.3(3) . . ?
C10 N2 N3 118.7(4) . . ?
C11 N3 N2 109.1(3) . . ?
C14 N4 C15 117.5(4) . . ?
N1 C1 C2 116.1(3) . . ?
N1 C1 C6 122.6(4) . . ?
C6 C1 C2 121.2(4) . . ?
O1 C2 C1 117.5(3) . . ?
O1 C2 C3 125.4(3) . . ?
C3 C2 C1 117.2(3) . . ?
C2 C3 H3 119.1 . . ?
C2 C3 C4 121.8(4) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 H4 119.2 . . ?
C5 C4 C3 121.6(4) . . ?
C5 C4 H4 119.2 . . ?
C4 C5 H5 120.4 . . ?
C4 C5 C6 119.2(4) . . ?
C6 C5 H5 120.4 . . ?
C5 C6 C1 119.1(4) . . ?
C7 C6 C1 116.5(4) . . ?
C7 C6 C5 124.5(4) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 C6 120.4(4) . . ?
C8 C7 H7 119.8 . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C9 120.0(4) . . ?
C9 C8 H8 120.0 . . ?
N1 C9 C8 121.1(4) . . ?
N1 C9 C10 114.9(4) . . ?
C8 C9 C10 123.9(4) . . ?
N2 C10 C9 117.8(4) . . ?
N2 C10 H10 121.1 . . ?
C9 C10 H10 121.1 . . ?
O2 C11 N3 125.5(4) . . ?
O2 C11 C12 116.8(4) . . ?
N3 C11 C12 117.7(4) . . ?
C13 C12 C11 123.2(4) . . ?
C16 C12 C11 119.0(4) . . ?
C16 C12 C13 117.8(4) . . ?
C12 C13 H13 120.8 . . ?
C14 C13 C12 118.3(5) . . ?
C14 C13 H13 120.8 . . ?
N4 C14 C13 124.1(5) . . ?
N4 C14 H14 118.0 . . ?
C13 C14 H14 118.0 . . ?
N4 C15 H15 118.6 . . ?
N4 C15 C16 122.8(5) . . ?
C16 C15 H15 118.6 . . ?
C12 C16 C15 119.5(5) . . ?
C12 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C18 C17 H17 119.9 . . ?
C18 C17 C22 120.2(4) . . ?
C22 C17 H17 119.9 . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.7(5) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 120.3 . . ?
C20 C19 C18 119.4(4) . . ?
C20 C19 H19 120.3 . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C21 120.3(4) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 H21 119.6 . . ?
C20 C21 C22 120.9(4) . . ?
C22 C21 H21 119.6 . . ?
C17 C22 C23 118.6(4) . . ?
C21 C22 C17 118.5(4) . . ?
C21 C22 C23 122.9(4) . . ?
O3 C23 C22 116.7(4) . . ?
O3 C23 C24 123.9(4) . . ?
C24 C23 C22 119.5(4) . . ?
C23 C24 H24 118.9 . . ?
C25 C24 C23 122.1(4) . . ?
C25 C24 H24 118.9 . . ?
O4 C25 C24 128.6(4) . . ?
O4 C25 C26 113.2(4) . . ?
C24 C25 C26 118.2(4) . . ?
F1 C26 C25 113.9(4) . . ?
F2 C26 F1 105.3(5) . . ?
F2 C26 F3 106.8(5) . . ?
F2 C26 C25 111.7(4) . . ?
F3 C26 F1 105.4(5) . . ?
F3 C26 C25 113.2(4) . . ?
F1' C26 C25 115.8(10) . . ?
F2' C26 F1' 103.7(15) . . ?
F2' C26 C25 114.4(9) . . ?
F3' C26 F1' 104.4(18) . . ?
F3' C26 F2' 105.9(16) . . ?
F3' C26 C25 111.7(11) . . ?
C27 O6 H6 109.5 . . ?
O6 C27 H27A 109.5 . . ?
O6 C27 H27B 109.3 . . ?
O6 C27 H27C 109.6 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C28 O7 H7A 109.5 . . ?
O7 C28 H28A 109.5 . . ?
O7 C28 H28B 109.5 . . ?
O7 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Dy1 O5 H5A 131(3) . . ?
Dy1 O5 H5B 112(3) . . ?
H5A O5 H5B 116.6(19) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O7 H7A N4 0.84 1.92 2.722(6) 158.4 1_455 yes
O5 H5A O6 0.850(10) 1.862(15) 2.696(5) 166(4) 3_666 yes
O5 H5B O7 0.849(10) 1.85(2) 2.645(5) 155(4) 4_665 yes

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 C1 -8.2(4) . . . . ?
Dy1 O1 C2 C1 141.7(3) 3_656 . . . ?
Dy1 O1 C2 C3 172.1(3) . . . . ?
Dy1 O1 C2 C3 -38.0(5) 3_656 . . . ?
Dy1 O2 C11 N3 4.0(6) . . . . ?
Dy1 O2 C11 C12 -173.9(2) . . . . ?
Dy1 O3 C23 C22 164.0(3) . . . . ?
Dy1 O3 C23 C24 -14.3(6) . . . . ?
Dy1 O4 C25 C24 27.0(6) . . . . ?
Dy1 O4 C25 C26 -154.0(3) . . . . ?
Dy1 N1 C1 C2 3.4(4) . . . . ?
Dy1 N1 C1 C6 -173.6(3) . . . . ?
Dy1 N1 C9 C8 173.6(3) . . . . ?
Dy1 N1 C9 C10 -2.2(5) . . . . ?
Dy1 N2 N3 C11 -0.4(4) . . . . ?
Dy1 N2 C10 C9 2.4(5) . . . . ?
O1 C2 C3 C4 179.7(4) . . . . ?
O2 C11 C12 C13 -167.7(4) . . . . ?
O2 C11 C12 C16 11.6(6) . . . . ?
O3 C23 C24 C25 -3.6(7) . . . . ?
O4 C25 C26 F1 149.5(5) . . . . ?
O4 C25 C26 F2 -91.4(6) . . . . ?
O4 C25 C26 F3 29.2(6) . . . . ?
O4 C25 C26 F1' -160.9(15) . . . . ?
O4 C25 C26 F2' -40.3(17) . . . . ?
O4 C25 C26 F3' 79.9(17) . . . . ?
N1 C1 C2 O1 2.8(5) . . . . ?
N1 C1 C2 C3 -177.5(3) . . . . ?
N1 C1 C6 C5 178.0(4) . . . . ?
N1 C1 C6 C7 -0.8(6) . . . . ?
N1 C9 C10 N2 -0.2(6) . . . . ?
N2 N3 C11 O2 -2.2(6) . . . . ?
N2 N3 C11 C12 175.7(3) . . . . ?
N3 N2 C10 C9 174.0(3) . . . . ?
N3 C11 C12 C13 14.2(6) . . . . ?
N3 C11 C12 C16 -166.5(4) . . . . ?
N4 C15 C16 C12 0.4(7) . . . . ?
C1 N1 C9 C8 0.7(6) . . . . ?
C1 N1 C9 C10 -175.1(3) . . . . ?
C1 C2 C3 C4 0.0(6) . . . . ?
C1 C6 C7 C8 1.5(6) . . . . ?
C2 C1 C6 C5 1.1(6) . . . . ?
C2 C1 C6 C7 -177.7(4) . . . . ?
C2 C3 C4 C5 -0.3(7) . . . . ?
C3 C4 C5 C6 1.0(7) . . . . ?
C4 C5 C6 C1 -1.3(6) . . . . ?
C4 C5 C6 C7 177.3(4) . . . . ?
C5 C6 C7 C8 -177.1(4) . . . . ?
C6 C1 C2 O1 179.9(3) . . . . ?
C6 C1 C2 C3 -0.4(6) . . . . ?
C6 C7 C8 C9 -1.2(7) . . . . ?
C7 C8 C9 N1 0.1(7) . . . . ?
C7 C8 C9 C10 175.5(4) . . . . ?
C8 C9 C10 N2 -175.8(4) . . . . ?
C9 N1 C1 C2 176.7(3) . . . . ?
C9 N1 C1 C6 -0.3(6) . . . . ?
C10 N2 N3 C11 -172.1(4) . . . . ?
C11 C12 C13 C14 179.1(4) . . . . ?
C11 C12 C16 C15 -179.4(4) . . . . ?
C12 C13 C14 N4 0.1(8) . . . . ?
C13 C12 C16 C15 -0.1(6) . . . . ?
C14 N4 C15 C16 -0.5(7) . . . . ?
C15 N4 C14 C13 0.2(8) . . . . ?
C16 C12 C13 C14 -0.2(6) . . . . ?
C17 C18 C19 C20 1.5(8) . . . . ?
C17 C22 C23 O3 -31.9(6) . . . . ?
C17 C22 C23 C24 146.5(4) . . . . ?
C18 C17 C22 C21 2.1(7) . . . . ?
C18 C17 C22 C23 -177.2(4) . . . . ?
C18 C19 C20 C21 0.7(7) . . . . ?
C19 C20 C21 C22 -1.5(7) . . . . ?
C20 C21 C22 C17 0.1(6) . . . . ?
C20 C21 C22 C23 179.4(4) . . . . ?
C21 C22 C23 O3 148.8(4) . . . . ?
C21 C22 C23 C24 -32.8(6) . . . . ?
C22 C17 C18 C19 -2.9(8) . . . . ?
C22 C23 C24 C25 178.2(4) . . . . ?
C23 C24 C25 O4 -3.6(7) . . . . ?
C23 C24 C25 C26 177.4(4) . . . . ?
C24 C25 C26 F1 -31.4(6) . . . . ?
C24 C25 C26 F2 87.7(6) . . . . ?
C24 C25 C26 F3 -151.7(5) . . . . ?
C24 C25 C26 F1' 18.3(16) . . . . ?
C24 C25 C26 F2' 138.8(16) . . . . ?
C24 C25 C26 F3' -101.0(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_m20150619g1
_database_code_depnum_ccdc_archive 'CCDC 1837384'
_audit_update_record             
;
2018-04-16 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;
_audit_creation_date             2018-04-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.03 svn.r3497 for OlexSys, GUI svn.r5486)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C46 H34 Dy2 N8 O10'
_chemical_formula_sum            'C46 H34 Dy2 N8 O10'
_chemical_formula_weight         1183.81
_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 0.0033 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'
Dy Dy -0.1892 4.4098 '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'

_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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                   23.8185(12)
_cell_length_b                   11.4605(3)
_cell_length_c                   18.9589(10)
_cell_angle_alpha                90
_cell_angle_beta                 125.846(11)
_cell_angle_gamma                90
_cell_volume                     4195.0(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7285
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_shelx_estimated_absorpt_T_max   0.671
_shelx_estimated_absorpt_T_min   0.532
_exptl_absorpt_coefficient_mu    3.607
_exptl_absorpt_correction_T_max  0.6714
_exptl_absorpt_correction_T_min  0.5323
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.874
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    "'not measured'"
_exptl_crystal_description       prism
_exptl_crystal_F_000             2312
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0194
_diffrn_reflns_av_unetI/netI     0.0145
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20885
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.599
_diffrn_reflns_theta_min         3.166
_diffrn_ambient_temperature      113.15
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4653
_reflns_number_total             4805
_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       'CrystalClear-SM Expert 2.1 b42'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b42 (Rigaku, 2015)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b42'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.952
_refine_diff_density_min         -1.218
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         4805
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0268
_refine_ls_R_factor_gt           0.0257
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0810P)²+20.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1093
_refine_ls_wR_factor_ref         0.1104
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 O5-H5A = O5-H5B
 0.85 with sigma of 0.01
 H5A-H5B
 1.45 with sigma of 0.01
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C10(H10), C13(H13), C14(H14),
 C15(H15), C16(H16), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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 0.03818(2) 0.34816(2) 0.01598(2) 0.01336(9) Uani 1 1 d . . . . .
O1 O -0.06640(14) 0.4523(2) -0.03997(18) 0.0170(5) Uani 1 1 d . . . . .
O2 O 0.15097(14) 0.2961(3) 0.07167(19) 0.0191(6) Uani 1 1 d . . . . .
O3 O 0.05672(18) 0.3889(3) 0.1543(2) 0.0241(6) Uani 1 1 d . . . . .
O4 O 0.04394(16) 0.2056(3) 0.11329(19) 0.0217(6) Uani 1 1 d . . . . .
O5 O 0.01768(16) 0.3986(3) -0.1195(2) 0.0199(6) Uani 1 1 d D . . . .
N1 N -0.06550(17) 0.2296(3) -0.0800(2) 0.0144(6) Uani 1 1 d . . . . .
N2 N 0.05547(19) 0.1538(3) -0.0288(2) 0.0176(7) Uani 1 1 d . . . . .
N3 N 0.12085(18) 0.1194(3) -0.0009(2) 0.0177(6) Uani 1 1 d . . . . .
N4 N 0.3749(2) 0.1456(3) 0.1348(3) 0.0268(9) Uani 1 1 d . . . . .
C1 C -0.12752(19) 0.2759(3) -0.1074(2) 0.0153(7) Uani 1 1 d . . . . .
C2 C -0.1273(2) 0.3965(3) -0.0868(3) 0.0162(7) Uani 1 1 d . . . . .
C3 C -0.1901(2) 0.4463(4) -0.1158(3) 0.0194(8) Uani 1 1 d . . . . .
H3 H -0.192070 0.526505 -0.104721 0.023 Uiso 1 1 calc R . . . .
C4 C -0.2518(2) 0.3791(4) -0.1619(3) 0.0217(8) Uani 1 1 d . . . . .
H4 H -0.294103 0.415505 -0.179713 0.026 Uiso 1 1 calc R . . . .
C5 C -0.2528(2) 0.2639(4) -0.1817(3) 0.0228(9) Uani 1 1 d . . . . .
H5 H -0.295113 0.221492 -0.213610 0.027 Uiso 1 1 calc R . . . .
C6 C -0.1896(2) 0.2091(4) -0.1536(3) 0.0178(8) Uani 1 1 d . . . . .
C7 C -0.1839(2) 0.0910(4) -0.1689(3) 0.0220(8) Uani 1 1 d . . . . .
H7 H -0.223789 0.042421 -0.198079 0.026 Uiso 1 1 calc R . . . .
C8 C -0.1210(2) 0.0458(4) -0.1417(3) 0.0233(8) Uani 1 1 d . . . . .
H8 H -0.117037 -0.033467 -0.152863 0.028 Uiso 1 1 calc R . . . .
C9 C -0.0621(2) 0.1190(4) -0.0969(3) 0.0174(7) Uani 1 1 d . . . . .
C10 C 0.0065(2) 0.0791(4) -0.0682(3) 0.0182(8) Uani 1 1 d . . . . .
H10 H 0.014339 0.001613 -0.078376 0.022 Uiso 1 1 calc R . . . .
C11 C 0.1653(2) 0.2010(4) 0.0494(3) 0.0170(7) Uani 1 1 d . . . . .
C12 C 0.2387(2) 0.1785(4) 0.0813(3) 0.0193(8) Uani 1 1 d . . . . .
C13 C 0.2549(2) 0.0919(4) 0.0446(3) 0.0262(9) Uani 1 1 d . . . . .
H13 H 0.220012 0.041301 0.001271 0.031 Uiso 1 1 calc R . . . .
C14 C 0.3228(2) 0.0808(4) 0.0726(3) 0.0269(9) Uani 1 1 d . . . . .
H14 H 0.332894 0.023136 0.045547 0.032 Uiso 1 1 calc R . . . .
C15 C 0.3596(2) 0.2278(5) 0.1710(3) 0.0295(10) Uani 1 1 d . . . . .
H15 H 0.396268 0.273723 0.216605 0.035 Uiso 1 1 calc R . . . .
C16 C 0.2922(2) 0.2493(4) 0.1448(3) 0.0228(8) Uani 1 1 d . . . . .
H16 H 0.283051 0.311325 0.170007 0.027 Uiso 1 1 calc R . . . .
C17 C 0.05685(19) 0.2805(4) 0.1694(3) 0.0163(7) Uani 1 1 d . . . . .
C18 C 0.0756(2) 0.2395(4) 0.2557(3) 0.0210(8) Uani 1 1 d . . . . .
C19 C 0.0950(3) 0.3177(5) 0.3217(3) 0.0341(11) Uani 1 1 d . . . . .
H19 H 0.095464 0.398923 0.312187 0.041 Uiso 1 1 calc R . . . .
C20 C 0.1136(3) 0.2780(5) 0.4019(4) 0.0407(13) Uani 1 1 d . . . . .
H20 H 0.125350 0.332591 0.446310 0.049 Uiso 1 1 calc R . . . .
C21 C 0.1154(3) 0.1583(4) 0.4182(4) 0.0331(12) Uani 1 1 d . . . . .
H21 H 0.129821 0.131642 0.473905 0.040 Uiso 1 1 calc R . . . .
C22 C 0.0962(2) 0.0802(4) 0.3533(3) 0.0275(9) Uani 1 1 d . . . . .
H22 H 0.096578 -0.001051 0.363551 0.033 Uiso 1 1 calc R . . . .
C23 C 0.0759(2) 0.1198(4) 0.2715(3) 0.0241(9) Uani 1 1 d . . . . .
H23 H 0.062268 0.065174 0.226431 0.029 Uiso 1 1 calc R . . . .
H5A H -0.003(2) 0.464(2) -0.137(3) 0.018(12) Uiso 1 1 d D . . . .
H5B H 0.044(2) 0.382(4) -0.135(3) 0.031(15) Uiso 1 1 d D . . . .


_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 Dy1 3.8076(3) 5_565 ?
Dy1 O1 2.351(3) 5_565 ?
Dy1 O1 2.379(3) . ?
Dy1 O2 2.316(3) . ?
Dy1 O3 2.435(3) . ?
Dy1 O4 2.407(3) . ?
Dy1 O5 2.387(3) . ?
Dy1 N1 2.448(3) . ?
Dy1 N2 2.502(3) . ?
Dy1 C17 2.782(4) . ?
O1 C2 1.339(5) . ?
O2 C11 1.284(5) . ?
O3 C17 1.274(5) . ?
O4 C17 1.256(5) . ?
O5 H5A 0.854(10) . ?
O5 H5B 0.850(10) . ?
N1 C1 1.355(5) . ?
N1 C9 1.322(5) . ?
N2 N3 1.377(5) . ?
N2 C10 1.277(5) . ?
N3 C11 1.313(6) . ?
N4 C14 1.330(7) . ?
N4 C15 1.335(6) . ?
C1 C2 1.435(6) . ?
C1 C6 1.423(5) . ?
C2 C3 1.380(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.419(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.370(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.416(5) . ?
C6 C7 1.408(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.368(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.413(6) . ?
C9 C10 1.462(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.501(6) . ?
C12 C13 1.390(6) . ?
C12 C16 1.390(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.381(6) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.397(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.497(6) . ?
C18 C19 1.381(7) . ?
C18 C23 1.403(6) . ?
C19 H19 0.9500 . ?
C19 C20 1.387(7) . ?
C20 H20 0.9500 . ?
C20 C21 1.402(7) . ?
C21 H21 0.9500 . ?
C21 C22 1.365(7) . ?
C22 H22 0.9500 . ?
C22 C23 1.402(7) . ?
C23 H23 0.9500 . ?

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 Dy1 36.65(6) 5_565 5_565 ?
O1 Dy1 Dy1 36.15(7) . 5_565 ?
O1 Dy1 O1 72.80(11) 5_565 . ?
O1 Dy1 O3 75.78(11) 5_565 . ?
O1 Dy1 O3 82.32(10) . . ?
O1 Dy1 O4 129.06(10) 5_565 . ?
O1 Dy1 O4 104.90(10) . . ?
O1 Dy1 O5 80.07(10) 5_565 . ?
O1 Dy1 O5 84.12(10) . . ?
O1 Dy1 N1 137.15(10) 5_565 . ?
O1 Dy1 N1 67.05(10) . . ?
O1 Dy1 N2 129.25(11) . . ?
O1 Dy1 N2 147.80(11) 5_565 . ?
O1 Dy1 C17 95.20(10) . . ?
O1 Dy1 C17 102.49(11) 5_565 . ?
O2 Dy1 Dy1 128.78(7) . 5_565 ?
O2 Dy1 O1 164.67(10) . . ?
O2 Dy1 O1 92.20(10) . 5_565 ?
O2 Dy1 O3 97.35(11) . . ?
O2 Dy1 O4 86.88(10) . . ?
O2 Dy1 O5 90.28(10) . . ?
O2 Dy1 N1 126.28(10) . . ?
O2 Dy1 N2 63.13(11) . . ?
O2 Dy1 C17 91.09(11) . . ?
O3 Dy1 Dy1 76.40(8) . 5_565 ?
O3 Dy1 N1 112.00(11) . . ?
O3 Dy1 N2 125.00(12) . . ?
O3 Dy1 C17 27.25(12) . . ?
O4 Dy1 Dy1 123.35(7) . 5_565 ?
O4 Dy1 O3 53.97(11) . . ?
O4 Dy1 N1 76.88(11) . . ?
O4 Dy1 N2 73.08(11) . . ?
O4 Dy1 C17 26.78(11) . . ?
O5 Dy1 Dy1 80.18(7) . 5_565 ?
O5 Dy1 O3 154.90(12) . . ?
O5 Dy1 O4 150.80(11) . . ?
O5 Dy1 N1 81.54(11) . . ?
O5 Dy1 N2 79.73(11) . . ?
O5 Dy1 C17 177.04(11) . . ?
N1 Dy1 Dy1 102.07(8) . 5_565 ?
N1 Dy1 N2 63.16(12) . . ?
N1 Dy1 C17 95.54(11) . . ?
N2 Dy1 Dy1 156.63(9) . 5_565 ?
N2 Dy1 C17 98.56(12) . . ?
C17 Dy1 Dy1 100.97(8) . 5_565 ?
Dy1 O1 Dy1 107.20(11) 5_565 . ?
C2 O1 Dy1 132.0(2) . 5_565 ?
C2 O1 Dy1 120.0(2) . . ?
C11 O2 Dy1 121.9(2) . . ?
C17 O3 Dy1 91.7(2) . . ?
C17 O4 Dy1 93.5(2) . . ?
Dy1 O5 H5A 110(3) . . ?
Dy1 O5 H5B 126(3) . . ?
H5A O5 H5B 116.3(19) . . ?
C1 N1 Dy1 117.8(2) . . ?
C9 N1 Dy1 122.3(3) . . ?
C9 N1 C1 119.3(3) . . ?
N3 N2 Dy1 119.9(3) . . ?
C10 N2 Dy1 121.4(3) . . ?
C10 N2 N3 118.2(3) . . ?
C11 N3 N2 108.9(3) . . ?
C14 N4 C15 117.1(4) . . ?
N1 C1 C2 116.3(3) . . ?
N1 C1 C6 122.2(4) . . ?
C6 C1 C2 121.5(3) . . ?
O1 C2 C1 118.0(3) . . ?
O1 C2 C3 124.6(4) . . ?
C3 C2 C1 117.4(3) . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.8(4) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 118.7 . . ?
C5 C4 C3 122.5(4) . . ?
C5 C4 H4 118.7 . . ?
C4 C5 H5 120.6 . . ?
C4 C5 C6 118.7(4) . . ?
C6 C5 H5 120.6 . . ?
C5 C6 C1 119.1(4) . . ?
C7 C6 C1 116.9(3) . . ?
C7 C6 C5 124.0(4) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.2(4) . . ?
C8 C7 H7 119.9 . . ?
C7 C8 H8 120.5 . . ?
C7 C8 C9 119.0(4) . . ?
C9 C8 H8 120.5 . . ?
N1 C9 C8 122.4(4) . . ?
N1 C9 C10 115.0(4) . . ?
C8 C9 C10 122.6(4) . . ?
N2 C10 C9 116.6(4) . . ?
N2 C10 H10 121.7 . . ?
C9 C10 H10 121.7 . . ?
O2 C11 N3 126.0(4) . . ?
O2 C11 C12 119.0(4) . . ?
N3 C11 C12 115.1(3) . . ?
C13 C12 C11 121.3(4) . . ?
C13 C12 C16 117.9(4) . . ?
C16 C12 C11 120.6(4) . . ?
C12 C13 H13 120.7 . . ?
C14 C13 C12 118.6(4) . . ?
C14 C13 H13 120.7 . . ?
N4 C14 C13 124.3(4) . . ?
N4 C14 H14 117.8 . . ?
C13 C14 H14 117.8 . . ?
N4 C15 H15 118.5 . . ?
N4 C15 C16 123.0(4) . . ?
C16 C15 H15 118.5 . . ?
C12 C16 C15 118.9(4) . . ?
C12 C16 H16 120.5 . . ?
C15 C16 H16 120.5 . . ?
O3 C17 Dy1 61.0(2) . . ?
O3 C17 C18 120.7(4) . . ?
O4 C17 Dy1 59.7(2) . . ?
O4 C17 O3 120.6(4) . . ?
O4 C17 C18 118.6(4) . . ?
C18 C17 Dy1 173.0(3) . . ?
C19 C18 C17 121.0(4) . . ?
C19 C18 C23 118.9(4) . . ?
C23 C18 C17 120.1(4) . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.3(5) . . ?
C20 C19 H19 119.9 . . ?
C19 C20 H20 119.6 . . ?
C19 C20 C21 120.7(5) . . ?
C21 C20 H20 119.6 . . ?
C20 C21 H21 120.2 . . ?
C22 C21 C20 119.5(5) . . ?
C22 C21 H21 120.2 . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 120.0(4) . . ?
C23 C22 H22 120.0 . . ?
C18 C23 H23 119.7 . . ?
C22 C23 C18 120.6(4) . . ?
C22 C23 H23 119.7 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O5 H5A O3 0.854(10) 2.018(14) 2.852(5) 165(4) 5_565 yes
O5 H5B N4 0.850(10) 1.96(2) 2.785(5) 163(6) 7 yes

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 C1 163.6(3) 5_565 . . . ?
Dy1 O1 C2 C1 -4.9(5) . . . . ?
Dy1 O1 C2 C3 -17.4(6) 5_565 . . . ?
Dy1 O1 C2 C3 174.2(3) . . . . ?
Dy1 O2 C11 N3 -4.9(6) . . . . ?
Dy1 O2 C11 C12 174.1(3) . . . . ?
Dy1 O3 C17 O4 -4.9(4) . . . . ?
Dy1 O3 C17 C18 172.2(3) . . . . ?
Dy1 O4 C17 O3 5.0(4) . . . . ?
Dy1 O4 C17 C18 -172.2(3) . . . . ?
Dy1 N1 C1 C2 8.0(4) . . . . ?
Dy1 N1 C1 C6 -171.5(3) . . . . ?
Dy1 N1 C9 C8 170.6(3) . . . . ?
Dy1 N1 C9 C10 -11.3(5) . . . . ?
Dy1 N2 N3 C11 1.4(4) . . . . ?
Dy1 N2 C10 C9 8.6(5) . . . . ?
O1 C2 C3 C4 -177.3(4) . . . . ?
O2 C11 C12 C13 -165.4(4) . . . . ?
O2 C11 C12 C16 10.3(6) . . . . ?
O3 C17 C18 C19 -1.7(6) . . . . ?
O3 C17 C18 C23 -179.6(4) . . . . ?
O4 C17 C18 C19 175.5(4) . . . . ?
O4 C17 C18 C23 -2.5(6) . . . . ?
N1 C1 C2 O1 -2.3(5) . . . . ?
N1 C1 C2 C3 178.6(4) . . . . ?
N1 C1 C6 C5 -178.9(4) . . . . ?
N1 C1 C6 C7 0.8(6) . . . . ?
N1 C9 C10 N2 1.5(5) . . . . ?
N2 N3 C11 O2 2.0(6) . . . . ?
N2 N3 C11 C12 -177.0(3) . . . . ?
N3 N2 C10 C9 -179.9(3) . . . . ?
N3 C11 C12 C13 13.7(6) . . . . ?
N3 C11 C12 C16 -170.6(4) . . . . ?
N4 C15 C16 C12 3.4(8) . . . . ?
C1 N1 C9 C8 -1.0(6) . . . . ?
C1 N1 C9 C10 177.2(3) . . . . ?
C1 C2 C3 C4 1.8(6) . . . . ?
C1 C6 C7 C8 -1.7(6) . . . . ?
C2 C1 C6 C5 1.6(6) . . . . ?
C2 C1 C6 C7 -178.6(4) . . . . ?
C2 C3 C4 C5 -1.5(7) . . . . ?
C3 C4 C5 C6 1.2(7) . . . . ?
C4 C5 C6 C1 -1.3(6) . . . . ?
C4 C5 C6 C7 179.1(4) . . . . ?
C5 C6 C7 C8 178.0(4) . . . . ?
C6 C1 C2 O1 177.2(3) . . . . ?
C6 C1 C2 C3 -1.9(6) . . . . ?
C6 C7 C8 C9 1.2(6) . . . . ?
C7 C8 C9 N1 0.1(6) . . . . ?
C7 C8 C9 C10 -177.9(4) . . . . ?
C8 C9 C10 N2 179.6(4) . . . . ?
C9 N1 C1 C2 180.0(3) . . . . ?
C9 N1 C1 C6 0.5(6) . . . . ?
C10 N2 N3 C11 -170.1(4) . . . . ?
C11 C12 C13 C14 175.5(4) . . . . ?
C11 C12 C16 C15 -178.1(4) . . . . ?
C12 C13 C14 N4 2.2(8) . . . . ?
C13 C12 C16 C15 -2.3(7) . . . . ?
C14 N4 C15 C16 -1.6(7) . . . . ?
C15 N4 C14 C13 -1.2(7) . . . . ?
C16 C12 C13 C14 -0.3(7) . . . . ?
C17 C18 C19 C20 -178.6(5) . . . . ?
C17 C18 C23 C22 177.3(4) . . . . ?
C18 C19 C20 C21 2.1(9) . . . . ?
C19 C18 C23 C22 -0.7(7) . . . . ?
C19 C20 C21 C22 -2.3(9) . . . . ?
C20 C21 C22 C23 1.0(8) . . . . ?
C21 C22 C23 C18 0.5(7) . . . . ?
C23 C18 C19 C20 -0.6(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
