# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_lxy191125a
_database_code_depnum_ccdc_archive 'CCDC 2102596'
loop_
_audit_author_name
_audit_author_address
fg
;NingXia University
China
;
_audit_update_record             
;
2022-01-14 deposited with the CCDC.	2022-04-04 downloaded from the CCDC.
;
_audit_creation_date             2019-11-25
_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         'C14 H12 Cl5 Dy N4'
_chemical_formula_sum            'C14 H12 Cl5 Dy N4'
_chemical_formula_weight         576.03
_chemical_absolute_configuration unk
_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'
Cl Cl 0.1484 0.1585 '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'

_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           9
_space_group_name_H-M_alt        'C 1 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'

_cell_length_a                   7.1296(4)
_cell_length_b                   21.1133(15)
_cell_length_c                   13.1118(9)
_cell_angle_alpha                90
_cell_angle_beta                 91.917(6)
_cell_angle_gamma                90
_cell_volume                     1972.6(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2062
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      26.5080
_cell_measurement_theta_min      3.0010
_shelx_estimated_absorpt_T_max   0.716
_shelx_estimated_absorpt_T_min   0.616
_exptl_absorpt_coefficient_mu    4.469
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85231
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.940
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1100
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_unetI/netI     0.0707
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4168
_diffrn_reflns_point_group_measured_fraction_full 0.778
_diffrn_reflns_point_group_measured_fraction_max 0.778
_diffrn_reflns_theta_full        24.990
_diffrn_reflns_theta_max         24.990
_diffrn_reflns_theta_min         1.929
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.551
_reflns_Friedel_fraction_full    0.555
_reflns_Friedel_fraction_max     0.555
_reflns_number_gt                2544
_reflns_number_total             2713
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.416
_refine_diff_density_min         -1.084
_refine_diff_density_rms         0.174
_refine_ls_abs_structure_details 
;
 Flack x determined using 843 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.014(17)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         2713
_refine_ls_number_restraints     50
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0376
_refine_ls_restrained_S_all      1.033
_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)+(0.0321P)²+1.4125P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0783
_refine_ls_wR_factor_ref         0.0822
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C9) \\sim Ueq, Uanis(N1) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(C8) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C11) \\sim
Ueq, Uanis(C12) \\sim Ueq, Uanis(C2) \\sim Ueq: with sigma of 0.001 and sigma
for terminal atoms of 0.002
3.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B)
3.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C4(H4), C6(H6), C9(H9), C11(H11), C13(H13), C14(H14)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Dy01 Dy 0.53375(6) 0.67039(2) 0.39043(5) 0.01113(17) Uani 1 1 d . . . . .
Cl1 Cl -0.0216(5) 0.94470(18) 0.4676(3) 0.0281(9) Uani 1 1 d . . . . .
Cl2 Cl 1.0194(5) 0.39166(17) 0.2592(3) 0.0280(9) Uani 1 1 d . . . . .
Cl3 Cl 0.2595(5) 0.62969(16) 0.2699(3) 0.0158(7) Uani 1 1 d . . . . .
Cl4 Cl 0.4196(4) 0.60304(16) 0.5452(3) 0.0180(8) Uani 1 1 d . . . . .
Cl5 Cl 0.7042(4) 0.73745(16) 0.2551(3) 0.0163(8) Uani 1 1 d . . . . .
N1 N 0.3130(15) 0.7674(5) 0.4145(8) 0.013(2) Uani 1 1 d . U . . .
N2 N 0.6166(14) 0.7419(5) 0.5351(8) 0.009(2) Uani 1 1 d . . . . .
N3 N 0.8521(15) 0.6544(5) 0.4650(8) 0.012(2) Uani 1 1 d . . . . .
N4 N 0.7018(15) 0.5713(5) 0.3296(9) 0.018(3) Uani 1 1 d . . . . .
C1 C 0.1637(18) 0.7815(6) 0.3543(10) 0.013(3) Uani 1 1 d . . . . .
H1 H 0.130448 0.752804 0.300862 0.016 Uiso 1 1 calc R . . . .
C2 C 0.054(2) 0.8352(6) 0.3651(10) 0.017(3) Uani 1 1 d . U . . .
H2 H -0.049717 0.843416 0.319907 0.020 Uiso 1 1 calc R . . . .
C3 C 0.1028(19) 0.8771(7) 0.4449(11) 0.021(3) Uani 1 1 d . . . . .
C4 C 0.2554(17) 0.8619(6) 0.5094(11) 0.014(3) Uani 1 1 d . . . . .
H4 H 0.288614 0.888413 0.565728 0.017 Uiso 1 1 calc R . . . .
C5 C 0.3575(18) 0.8082(7) 0.4905(11) 0.017(3) Uani 1 1 d . . . . .
C6 C 0.5212(18) 0.7902(6) 0.5544(10) 0.014(3) Uani 1 1 d . U . . .
H6 H 0.556147 0.815606 0.611750 0.017 Uiso 1 1 calc R . . . .
C7 C 0.7745(18) 0.7243(7) 0.6035(10) 0.015(3) Uani 1 1 d . U . . .
H7A H 0.736874 0.690263 0.650609 0.018 Uiso 1 1 calc R . . . .
H7B H 0.817117 0.761265 0.644403 0.018 Uiso 1 1 calc R . . . .
C8 C 0.9295(19) 0.7014(6) 0.5372(10) 0.015(3) Uani 1 1 d . U . . .
H8A H 0.982505 0.737523 0.499541 0.018 Uiso 1 1 calc R . . . .
H8B H 1.031191 0.682178 0.580084 0.018 Uiso 1 1 calc R . . . .
C9 C 0.9436(18) 0.6034(6) 0.4490(9) 0.013(3) Uani 1 1 d . U . . .
H9 H 1.059151 0.595551 0.484935 0.015 Uiso 1 1 calc R . . . .
C10 C 0.8677(17) 0.5570(6) 0.3742(10) 0.012(3) Uani 1 1 d . . . . .
C11 C 0.9694(19) 0.5025(6) 0.3557(10) 0.016(3) Uani 1 1 d . U . . .
H11 H 1.083151 0.493626 0.392795 0.019 Uiso 1 1 calc R . . . .
C12 C 0.9000(19) 0.4613(6) 0.2814(10) 0.018(3) Uani 1 1 d . U . . .
C13 C 0.7319(18) 0.4761(6) 0.2309(11) 0.018(3) Uani 1 1 d . . . . .
H13 H 0.681993 0.448949 0.179024 0.022 Uiso 1 1 calc R . . . .
C14 C 0.6386(19) 0.5299(7) 0.2561(10) 0.017(3) Uani 1 1 d . . . . .
H14 H 0.523405 0.539127 0.220680 0.020 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy01 Cl3 2.618(4) . ?
Dy01 Cl4 2.629(3) . ?
Dy01 Cl5 2.603(3) . ?
Dy01 N1 2.609(11) . ?
Dy01 N2 2.480(10) . ?
Dy01 N3 2.464(11) . ?
Dy01 N4 2.552(12) . ?
Cl1 C3 1.712(15) . ?
Cl2 C12 1.728(14) . ?
N1 C1 1.337(17) . ?
N1 C5 1.347(17) . ?
N2 C6 1.257(16) . ?
N2 C7 1.463(17) . ?
N3 C8 1.467(17) . ?
N3 C9 1.279(16) . ?
N4 C10 1.336(17) . ?
N4 C14 1.366(17) . ?
C1 H1 0.9500 . ?
C1 C2 1.386(18) . ?
C2 H2 0.9500 . ?
C2 C3 1.405(19) . ?
C3 C4 1.392(19) . ?
C4 H4 0.9500 . ?
C4 C5 1.374(19) . ?
C5 C6 1.465(18) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.507(17) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9 0.9500 . ?
C9 C10 1.477(18) . ?
C10 C11 1.387(18) . ?
C11 H11 0.9500 . ?
C11 C12 1.384(19) . ?
C12 C13 1.386(19) . ?
C13 H13 0.9500 . ?
C13 C14 1.362(19) . ?
C14 H14 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
Cl3 Dy01 Cl4 92.53(10) . . ?
Cl5 Dy01 Cl3 97.08(10) . . ?
Cl5 Dy01 Cl4 169.75(11) . . ?
Cl5 Dy01 N1 87.3(2) . . ?
N1 Dy01 Cl3 83.7(3) . . ?
N1 Dy01 Cl4 97.3(2) . . ?
N2 Dy01 Cl3 144.6(2) . . ?
N2 Dy01 Cl4 79.1(2) . . ?
N2 Dy01 Cl5 94.9(2) . . ?
N2 Dy01 N1 63.8(3) . . ?
N2 Dy01 N4 129.5(4) . . ?
N3 Dy01 Cl3 148.6(3) . . ?
N3 Dy01 Cl4 85.7(3) . . ?
N3 Dy01 Cl5 84.3(3) . . ?
N3 Dy01 N1 127.7(4) . . ?
N3 Dy01 N2 65.6(3) . . ?
N3 Dy01 N4 64.9(4) . . ?
N4 Dy01 Cl3 83.8(3) . . ?
N4 Dy01 Cl4 87.6(2) . . ?
N4 Dy01 Cl5 89.9(2) . . ?
N4 Dy01 N1 166.7(4) . . ?
C1 N1 Dy01 125.0(9) . . ?
C1 N1 C5 117.3(12) . . ?
C5 N1 Dy01 117.6(9) . . ?
C6 N2 Dy01 122.1(9) . . ?
C6 N2 C7 119.6(11) . . ?
C7 N2 Dy01 118.2(7) . . ?
C8 N3 Dy01 119.0(8) . . ?
C9 N3 Dy01 121.2(9) . . ?
C9 N3 C8 119.5(12) . . ?
C10 N4 Dy01 117.8(9) . . ?
C10 N4 C14 115.5(12) . . ?
C14 N4 Dy01 126.7(9) . . ?
N1 C1 H1 118.0 . . ?
N1 C1 C2 124.1(13) . . ?
C2 C1 H1 118.0 . . ?
C1 C2 H2 121.1 . . ?
C1 C2 C3 117.8(14) . . ?
C3 C2 H2 121.1 . . ?
C2 C3 Cl1 122.6(12) . . ?
C4 C3 Cl1 119.1(11) . . ?
C4 C3 C2 118.4(13) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 C3 119.2(14) . . ?
C5 C4 H4 120.4 . . ?
N1 C5 C4 123.2(13) . . ?
N1 C5 C6 114.9(12) . . ?
C4 C5 C6 121.9(13) . . ?
N2 C6 C5 121.5(13) . . ?
N2 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
N2 C7 H7A 110.3 . . ?
N2 C7 H7B 110.3 . . ?
N2 C7 C8 107.0(11) . . ?
H7A C7 H7B 108.6 . . ?
C8 C7 H7A 110.3 . . ?
C8 C7 H7B 110.3 . . ?
N3 C8 C7 108.8(11) . . ?
N3 C8 H8A 109.9 . . ?
N3 C8 H8B 109.9 . . ?
C7 C8 H8A 109.9 . . ?
C7 C8 H8B 109.9 . . ?
H8A C8 H8B 108.3 . . ?
N3 C9 H9 120.3 . . ?
N3 C9 C10 119.3(12) . . ?
C10 C9 H9 120.3 . . ?
N4 C10 C9 116.1(12) . . ?
N4 C10 C11 124.8(13) . . ?
C11 C10 C9 119.1(13) . . ?
C10 C11 H11 121.0 . . ?
C12 C11 C10 117.9(14) . . ?
C12 C11 H11 121.0 . . ?
C11 C12 Cl2 119.1(11) . . ?
C11 C12 C13 118.5(13) . . ?
C13 C12 Cl2 122.3(11) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 C12 119.6(13) . . ?
C14 C13 H13 120.2 . . ?
N4 C14 H14 118.2 . . ?
C13 C14 N4 123.5(14) . . ?
C13 C14 H14 118.2 . . ?

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
Dy01 N1 C1 C2 -176.2(8) . . . . ?
Dy01 N1 C5 C4 178.3(10) . . . . ?
Dy01 N1 C5 C6 -3.5(14) . . . . ?
Dy01 N2 C6 C5 -1.7(16) . . . . ?
Dy01 N2 C7 C8 43.3(12) . . . . ?
Dy01 N3 C8 C7 37.9(13) . . . . ?
Dy01 N3 C9 C10 8.0(15) . . . . ?
Dy01 N4 C10 C9 -4.7(14) . . . . ?
Dy01 N4 C10 C11 174.7(9) . . . . ?
Dy01 N4 C14 C13 -176.7(9) . . . . ?
Cl1 C3 C4 C5 -179.0(10) . . . . ?
Cl2 C12 C13 C14 176.1(10) . . . . ?
N1 C1 C2 C3 -0.7(18) . . . . ?
N1 C5 C6 N2 3.5(18) . . . . ?
N2 C7 C8 N3 -50.0(14) . . . . ?
N3 C9 C10 N4 -1.9(17) . . . . ?
N3 C9 C10 C11 178.7(11) . . . . ?
N4 C10 C11 C12 3.9(19) . . . . ?
C1 N1 C5 C4 1.2(18) . . . . ?
C1 N1 C5 C6 179.5(11) . . . . ?
C1 C2 C3 Cl1 -179.3(10) . . . . ?
C1 C2 C3 C4 -0.9(17) . . . . ?
C2 C3 C4 C5 2.6(18) . . . . ?
C3 C4 C5 N1 -3(2) . . . . ?
C3 C4 C5 C6 179.0(12) . . . . ?
C4 C5 C6 N2 -178.2(12) . . . . ?
C5 N1 C1 C2 0.6(18) . . . . ?
C6 N2 C7 C8 -140.7(12) . . . . ?
C7 N2 C6 C5 -177.5(11) . . . . ?
C8 N3 C9 C10 -178.3(11) . . . . ?
C9 N3 C8 C7 -136.0(12) . . . . ?
C9 C10 C11 C12 -176.8(11) . . . . ?
C10 N4 C14 C13 2.3(18) . . . . ?
C10 C11 C12 Cl2 -178.0(9) . . . . ?
C10 C11 C12 C13 -1.0(19) . . . . ?
C11 C12 C13 C14 -1(2) . . . . ?
C12 C13 C14 N4 0(2) . . . . ?
C14 N4 C10 C9 176.2(10) . . . . ?
C14 N4 C10 C11 -4.5(18) . . . . ?

_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_exp_1963
_database_code_depnum_ccdc_archive 'CCDC 2102597'
loop_
_audit_author_name
_audit_author_address
GH
;NingXia University
China
;
_audit_update_record             
;
2022-01-14 deposited with the CCDC.	2022-04-04 downloaded from the CCDC.
;
_audit_creation_date             2019-10-08
_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         'C32 H18 Cl8 Dy N7 O9'
_chemical_formula_sum            'C32 H18 Cl8 Dy N7 O9'
_chemical_formula_weight         1090.63
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   12.0086(5)
_cell_length_b                   16.5773(7)
_cell_length_c                   20.2262(10)
_cell_angle_alpha                90
_cell_angle_beta                 95.797(4)
_cell_angle_gamma                90
_cell_volume                     4005.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4736
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      73.5950
_cell_measurement_theta_min      3.4120
_shelx_estimated_absorpt_T_max   0.337
_shelx_estimated_absorpt_T_min   0.239
_exptl_absorpt_coefficient_mu    15.423
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.30630
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.808
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2132
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0654
_diffrn_reflns_av_unetI/netI     0.0948
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            15315
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.402
_diffrn_reflns_theta_min         3.454
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     19.00  64.00   1.00    1.00    --   39.98 -99.00-120.00   45
  2  ω     26.00  53.00   1.00    1.00    --   39.98-125.00   0.00   27
  3  ω     57.00 134.00   1.00    2.00    --  108.20 -45.00  60.00   77
  4  ω     80.00 172.00   1.00    2.00    --  108.20  30.00 -60.00   92
  5  ω    127.00 178.00   1.00    2.00    --  108.20  61.00-120.00   51
  6  ω    124.00 177.00   1.00    2.00    --  108.20  45.00  30.00   53
  7  ω    104.00 178.00   1.00    3.00    --  108.20 125.00 150.00   74
  8  ω     96.00 127.00   1.00    3.00    --  108.20 125.00 120.00   31
  9  ω     79.00 112.00   1.00    3.00    --  108.20  61.00-120.00   33
 10  ω     44.00 101.00   1.00    3.00    --  108.20 -94.00  90.00   57
 11  ω    -66.00  29.00   1.00    1.80    --  -39.98  57.00-150.00   95
 12  ω   -106.00 -16.00   1.00    1.80    --  -39.98 -37.00  30.00   90
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0469825000
_diffrn_orient_matrix_UB_12      0.0090720000
_diffrn_orient_matrix_UB_13      -0.0733392000
_diffrn_orient_matrix_UB_21      -0.0700029000
_diffrn_orient_matrix_UB_22      -0.0772006000
_diffrn_orient_matrix_UB_23      0.0052542000
_diffrn_orient_matrix_UB_31      -0.0975986000
_diffrn_orient_matrix_UB_32      0.0508965000
_diffrn_orient_matrix_UB_33      0.0213349000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6143
_reflns_number_total             7881
_reflns_odcompleteness_completeness 99.74
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.531
_refine_diff_density_min         -1.123
_refine_diff_density_rms         0.167
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     736
_refine_ls_number_reflns         7881
_refine_ls_number_restraints     927
_refine_ls_R_factor_all          0.1127
_refine_ls_R_factor_gt           0.0905
_refine_ls_restrained_S_all      1.092
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0068P)²+76.1494P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1821
_refine_ls_wR_factor_ref         0.1925
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
C12 \\sim C12A \\sim C13 \\sim C13A \\sim C14 \\sim C14A: within 2A with sigma
of 0.01 and sigma for terminal atoms of 0.02
C21 \\sim C21A \\sim C22 \\sim C22A \\sim C23A \\sim C24 \\sim C25 \\sim C25A
\\sim C26 \\sim C26A \\sim C24A \\sim C23 \\sim O5 \\sim O5A \\sim O6 \\sim O6A
\\sim N6 \\sim N6A: within 2A with sigma of 0.01 and sigma for terminal atoms
of 0.02
C27 \\sim C27A \\sim C28 \\sim C28A \\sim C29 \\sim C30 \\sim C30A \\sim C31
\\sim C31A \\sim C32A \\sim C32 \\sim Cl7 \\sim Cl7A: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(O6) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(Cl7A) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(Cl2A) = Uanis(Cl2)
Uanis(C11) = Uanis(C11A)
Uanis(C14) = Uanis(C14A)
Uanis(C28) = Uanis(C28A)
3. Rigid body (RIGU) restrains
 Cl7, Cl8, O7, O8, O9, N7, C27, C28, C29, C30, C31, C32
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl5, Cl6, O4, O5, O6, N6, C21, C22, C23, C24, C25, C26
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl5A, Cl6A, O4, O5A, O6A, N6A, C21A, C22A, C23A, C24A, C25A, C26A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl7A, Cl8A, O7, O8A, O9A, N7A, C27A, C28A, C29A, C30A, C31A, C32A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl2A, N4, C10, C11, C12, C13, C14
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl2, N4, C10, C11A, C12A, C13A, C14A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(Cl2A)=Sof(Cl5A)=Sof(Cl6A)=Sof(O5A)=Sof(O6A)=Sof(N6A)=Sof(C21A)=Sof(C22A)=
 Sof(C23A)=Sof(H23A)=Sof(C24A)=Sof(C25A)=Sof(H25A)=Sof(C26A)=1-FVAR(1)
 Sof(Cl2)=Sof(Cl5)=Sof(Cl6)=Sof(O5)=Sof(O6)=Sof(N6)=Sof(C21)=Sof(C22)=Sof(C23)=
 Sof(H23)=Sof(C24)=Sof(C25)=Sof(H25)=Sof(C26)=FVAR(1)
 Sof(Cl7A)=Sof(Cl8A)=Sof(O8A)=Sof(O9A)=Sof(N7A)=Sof(C27A)=Sof(C28A)=Sof(C29A)=
 Sof(H29A)=Sof(C30A)=Sof(C31A)=Sof(H31A)=Sof(C32A)=1-FVAR(2)
 Sof(Cl7)=Sof(Cl8)=Sof(O8)=Sof(O9)=Sof(N7)=Sof(C27)=Sof(C28)=Sof(C29)=Sof(H29)=
 Sof(C30)=Sof(C31)=Sof(H31)=Sof(C32)=FVAR(2)
 Sof(C11A)=Sof(H11A)=Sof(C12A)=Sof(C13A)=Sof(H13A)=Sof(C14A)=Sof(H14A)=1-FVAR(3)
 Sof(C11)=Sof(H11)=Sof(C12)=Sof(C13)=Sof(H13)=Sof(C14)=Sof(H14)=FVAR(3)
5.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B)
5.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C4(H4), C6(H6), C9(H9), C11(H11), C11A(H11A), C13(H13),
 C13A(H13A), C14(H14), C14A(H14A), C17(H17), C19(H19), C23(H23), C23A(H23A),
 C25(H25), C25A(H25A), C29(H29), C29A(H29A), C31(H31), C31A(H31A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.63994(5) 0.28729(4) 0.58204(3) 0.01844(16) Uani 1 1 d . . . . .
Cl1 Cl 0.4369(3) 0.62507(19) 0.74169(18) 0.0520(9) Uani 1 1 d . . . . .
Cl2 Cl 0.8535(9) -0.0826(6) 0.4772(5) 0.0472(18) Uani 0.504(8) 1 d . U P A 1
Cl2A Cl 0.9048(9) -0.0718(6) 0.4947(6) 0.0472(18) Uani 0.496(8) 1 d . U P A 2
Cl3 Cl 0.7976(2) 0.42555(18) 0.74869(16) 0.0365(7) Uani 1 1 d . . . . .
Cl4 Cl 0.9823(2) 0.21883(19) 0.58475(14) 0.0329(6) Uani 1 1 d . . . . .
Cl5 Cl 0.7817(7) 0.1856(5) 0.7549(4) 0.0288(17) Uani 0.504(8) 1 d . U P A 1
Cl5A Cl 0.7369(8) 0.1723(6) 0.7579(5) 0.045(2) Uani 0.496(8) 1 d . U P A 2
Cl6 Cl 0.3494(6) 0.1551(5) 0.6576(5) 0.0411(19) Uani 0.504(8) 1 d . U P A 1
Cl6A Cl 0.3289(7) 0.1588(5) 0.6237(5) 0.0385(19) Uani 0.496(8) 1 d . U P A 2
Cl7 Cl 0.2991(6) 0.3665(4) 0.5763(4) 0.0247(13) Uani 0.623(16) 1 d . U P B 1
Cl7A Cl 0.3098(12) 0.3802(9) 0.5936(7) 0.031(3) Uani 0.377(16) 1 d . U P B 2
Cl8 Cl 0.4972(8) 0.1896(7) 0.3967(4) 0.062(3) Uani 0.623(16) 1 d . U P B 1
Cl8A Cl 0.4542(13) 0.1929(10) 0.4047(8) 0.060(4) Uani 0.377(16) 1 d . U P B 2
O1 O 0.8017(6) 0.3120(4) 0.6361(4) 0.0227(16) Uani 1 1 d . . . . .
O2 O 1.2289(7) 0.4198(7) 0.8137(5) 0.051(3) Uani 1 1 d . . . . .
O3 O 1.2975(7) 0.3226(6) 0.7604(5) 0.045(2) Uani 1 1 d . . . . .
O4 O 0.5709(7) 0.2136(5) 0.6570(4) 0.0336(18) Uani 1 1 d . U . . .
O5 O 0.5781(17) 0.0150(11) 0.9228(10) 0.048(4) Uani 0.504(8) 1 d . U P A 1
O5A O 0.478(2) 0.0014(14) 0.8960(11) 0.053(4) Uani 0.496(8) 1 d . U P A 2
O6 O 0.4100(18) -0.0024(13) 0.8840(11) 0.041(3) Uani 0.504(8) 1 d . U P A 1
O6A O 0.3155(18) 0.0018(11) 0.8442(10) 0.047(4) Uani 0.496(8) 1 d . U P A 2
O7 O 0.4842(7) 0.2945(5) 0.5168(4) 0.0337(18) Uani 1 1 d . U . . .
O8 O -0.0118(16) 0.2495(16) 0.4062(10) 0.058(6) Uani 0.623(16) 1 d . U P B 1
O8A O -0.033(2) 0.304(2) 0.4270(15) 0.052(7) Uani 0.377(16) 1 d . U P B 2
O9 O 0.0675(16) 0.1634(13) 0.3445(8) 0.054(5) Uani 0.623(16) 1 d . U P B 1
O9A O 0.023(3) 0.207(2) 0.3610(18) 0.061(8) Uani 0.377(16) 1 d . U P B 2
N1 N 0.5682(7) 0.4059(5) 0.6442(4) 0.0218(19) Uani 1 1 d . . . . .
N2 N 0.6842(9) 0.4221(6) 0.5375(5) 0.037(3) Uani 1 1 d . . . . .
N3 N 0.7213(8) 0.2837(6) 0.4742(5) 0.031(2) Uani 1 1 d . . . . .
N4 N 0.7083(8) 0.1488(5) 0.5476(5) 0.0266(19) Uani 1 1 d . U . . .
N5 N 1.2195(8) 0.3647(7) 0.7718(5) 0.033(2) Uani 1 1 d . . . . .
N6 N 0.505(2) 0.0296(14) 0.8804(12) 0.037(3) Uani 0.504(8) 1 d . U P A 1
N6A N 0.404(2) 0.0199(13) 0.8488(12) 0.041(3) Uani 0.496(8) 1 d . U P A 2
N7 N 0.0732(16) 0.2166(16) 0.3889(9) 0.041(4) Uani 0.623(16) 1 d . U P B 1
N7A N 0.038(3) 0.260(3) 0.4073(18) 0.036(6) Uani 0.377(16) 1 d . U P B 2
C1 C 0.5116(9) 0.3987(7) 0.6967(6) 0.028(3) Uani 1 1 d . . . . .
H1 H 0.498343 0.347103 0.712231 0.034 Uiso 1 1 calc R . . . .
C2 C 0.4700(9) 0.4651(7) 0.7307(5) 0.028(2) Uani 1 1 d . . . . .
H2 H 0.433200 0.458451 0.768614 0.033 Uiso 1 1 calc R . . . .
C3 C 0.4875(10) 0.5414(7) 0.7040(6) 0.030(3) Uani 1 1 d . . . . .
C4 C 0.5476(10) 0.5499(7) 0.6498(6) 0.032(3) Uani 1 1 d . . . . .
H4 H 0.562754 0.600574 0.633143 0.039 Uiso 1 1 calc R . . . .
C5 C 0.5843(9) 0.4809(7) 0.6211(6) 0.025(2) Uani 1 1 d . . . . .
C6 C 0.6480(11) 0.4863(7) 0.5620(6) 0.037(3) Uani 1 1 d . . . . .
H6 H 0.661117 0.536082 0.543117 0.045 Uiso 1 1 calc R . . . .
C7 C 0.7588(16) 0.4261(8) 0.4836(8) 0.066(6) Uani 1 1 d . . . . .
H7A H 0.836334 0.419629 0.501516 0.079 Uiso 1 1 calc R . . . .
H7B H 0.750772 0.477612 0.460909 0.079 Uiso 1 1 calc R . . . .
C8 C 0.7235(15) 0.3578(8) 0.4362(7) 0.061(5) Uani 1 1 d . . . . .
H8A H 0.649933 0.368687 0.413628 0.073 Uiso 1 1 calc R . . . .
H8B H 0.776050 0.352782 0.403025 0.073 Uiso 1 1 calc R . . . .
C9 C 0.7584(8) 0.2189(7) 0.4514(5) 0.025(2) Uani 1 1 d . . . . .
H9 H 0.785399 0.218620 0.409951 0.030 Uiso 1 1 calc R . . . .
C10 C 0.7587(8) 0.1451(7) 0.4902(5) 0.023(2) Uani 1 1 d . U . . .
C11 C 0.805(9) 0.069(3) 0.471(4) 0.029(5) Uani 0.46(7) 1 d . U P A 1
H11 H 0.845608 0.067296 0.434669 0.034 Uiso 0.46(7) 1 calc R . P A 1
C11A C 0.814(7) 0.081(3) 0.468(4) 0.029(5) Uani 0.54(7) 1 d . U P A 2
H11A H 0.840686 0.081097 0.426661 0.034 Uiso 0.54(7) 1 calc R . P A 2
C12 C 0.790(5) 0.005(2) 0.504(2) 0.039(4) Uani 0.46(7) 1 d . U P A 1
C12A C 0.831(4) 0.013(2) 0.5130(18) 0.037(4) Uani 0.54(7) 1 d . U P A 2
C13 C 0.744(4) 0.008(2) 0.562(2) 0.037(4) Uani 0.46(7) 1 d . U P A 1
H13 H 0.739542 -0.038219 0.586903 0.045 Uiso 0.46(7) 1 calc R . P A 1
C13A C 0.783(4) 0.012(2) 0.575(2) 0.037(4) Uani 0.54(7) 1 d . U P A 2
H13A H 0.790175 -0.030191 0.605103 0.044 Uiso 0.54(7) 1 calc R . P A 2
C14 C 0.701(4) 0.080(4) 0.584(3) 0.037(3) Uani 0.46(7) 1 d . U P A 1
H14 H 0.668313 0.080696 0.623295 0.044 Uiso 0.46(7) 1 calc R . P A 1
C14A C 0.723(4) 0.084(3) 0.585(3) 0.037(3) Uani 0.54(7) 1 d . U P A 2
H14A H 0.687539 0.085541 0.623786 0.044 Uiso 0.54(7) 1 calc R . P A 2
C15 C 0.8978(8) 0.3242(6) 0.6679(5) 0.021(2) Uani 1 1 d . . . . .
C16 C 0.9148(8) 0.3772(6) 0.7229(5) 0.022(2) Uani 1 1 d . . . . .
C17 C 1.0167(10) 0.3921(7) 0.7565(6) 0.031(3) Uani 1 1 d . . . . .
H17 H 1.024469 0.428565 0.791590 0.037 Uiso 1 1 calc R . . . .
C18 C 1.1092(9) 0.3514(7) 0.7367(6) 0.028(2) Uani 1 1 d . . . . .
C19 C 1.1004(8) 0.2980(6) 0.6842(5) 0.021(2) Uani 1 1 d . . . . .
H19 H 1.162865 0.271097 0.671626 0.025 Uiso 1 1 calc R . . . .
C20 C 0.9970(8) 0.2859(6) 0.6514(5) 0.018(2) Uani 1 1 d . . . . .
C21 C 0.557(3) 0.171(2) 0.7113(17) 0.031(3) Uani 0.504(8) 1 d . U P A 1
C21A C 0.529(3) 0.167(2) 0.6992(17) 0.031(3) Uani 0.496(8) 1 d . U P A 2
C22 C 0.650(2) 0.1519(16) 0.7644(13) 0.030(3) Uani 0.504(8) 1 d . U P A 1
C22A C 0.600(2) 0.1437(16) 0.7536(14) 0.032(3) Uani 0.496(8) 1 d . U P A 2
C23 C 0.628(2) 0.1071(14) 0.8189(13) 0.031(3) Uani 0.504(8) 1 d . U P A 1
H23 H 0.684393 0.095345 0.852792 0.037 Uiso 0.504(8) 1 calc R . P A 1
C23A C 0.566(3) 0.0941(15) 0.8055(14) 0.034(3) Uani 0.496(8) 1 d . U P A 2
H23A H 0.613904 0.078131 0.842173 0.041 Uiso 0.496(8) 1 calc R . P A 2
C24 C 0.516(3) 0.0795(15) 0.8211(14) 0.033(3) Uani 0.504(8) 1 d . U P A 1
C24A C 0.453(3) 0.0719(17) 0.7959(15) 0.035(3) Uani 0.496(8) 1 d . U P A 2
C25 C 0.432(3) 0.0959(16) 0.7752(14) 0.033(3) Uani 0.504(8) 1 d . U P A 1
H25 H 0.360387 0.077598 0.779944 0.039 Uiso 0.504(8) 1 calc R . P A 1
C25A C 0.379(2) 0.0911(14) 0.7431(13) 0.033(3) Uani 0.496(8) 1 d . U P A 2
H25A H 0.304862 0.074829 0.740694 0.039 Uiso 0.496(8) 1 calc R . P A 2
C26 C 0.453(2) 0.1403(15) 0.7204(13) 0.032(3) Uani 0.504(8) 1 d . U P A 1
C26A C 0.420(2) 0.1367(15) 0.6923(14) 0.030(3) Uani 0.496(8) 1 d . U P A 2
C27 C 0.3939(19) 0.2780(17) 0.4846(11) 0.023(3) Uani 0.623(16) 1 d . U P B 1
C27A C 0.372(3) 0.284(3) 0.4948(19) 0.023(3) Uani 0.377(16) 1 d . U P B 2
C28 C 0.2931(18) 0.3061(13) 0.5059(10) 0.022(2) Uani 0.623(16) 1 d . U P B 1
C28A C 0.279(3) 0.323(2) 0.5202(17) 0.022(2) Uani 0.377(16) 1 d . U P B 2
C29 C 0.1859(16) 0.2915(13) 0.4744(10) 0.022(3) Uani 0.623(16) 1 d . U P B 1
H29 H 0.122577 0.315810 0.488437 0.027 Uiso 0.623(16) 1 calc R . P B 1
C29A C 0.173(3) 0.316(2) 0.4965(16) 0.026(6) Uani 0.377(16) 1 d . U P B 2
H29A H 0.115313 0.339044 0.516811 0.032 Uiso 0.377(16) 1 calc R . P B 2
C30 C 0.1793(19) 0.2376(13) 0.4198(9) 0.024(3) Uani 0.623(16) 1 d . U P B 1
C30A C 0.155(3) 0.270(2) 0.4381(17) 0.024(3) Uani 0.377(16) 1 d . U P B 2
C31 C 0.2760(17) 0.2068(12) 0.3966(8) 0.024(3) Uani 0.623(16) 1 d . U P B 1
H31 H 0.271508 0.172259 0.360159 0.029 Uiso 0.623(16) 1 calc R . P B 1
C31A C 0.233(3) 0.228(2) 0.4086(16) 0.025(3) Uani 0.377(16) 1 d . U P B 2
H31A H 0.215479 0.196276 0.371196 0.030 Uiso 0.377(16) 1 calc R . P B 2
C32 C 0.3781(17) 0.2282(13) 0.4284(10) 0.025(3) Uani 0.623(16) 1 d . U P B 1
C32A C 0.346(3) 0.238(2) 0.4407(17) 0.024(3) Uani 0.377(16) 1 d . U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.171(7) . ?
Dy1 O4 2.175(7) . ?
Dy1 O7 2.180(8) . ?
Dy1 N1 2.531(9) . ?
Dy1 N2 2.486(9) . ?
Dy1 N3 2.479(9) . ?
Dy1 N4 2.558(9) . ?
Cl1 C3 1.722(11) . ?
Cl2 C12 1.75(4) . ?
Cl2A C12A 1.72(3) . ?
Cl3 C16 1.744(11) . ?
Cl4 C20 1.743(11) . ?
Cl5 C22 1.71(3) . ?
Cl5A C22A 1.70(3) . ?
Cl6 C26 1.71(3) . ?
Cl6A C26A 1.72(3) . ?
Cl7 C28 1.737(19) . ?
Cl7A C28A 1.77(3) . ?
Cl8 C32 1.747(19) . ?
Cl8A C32A 1.73(3) . ?
O1 C15 1.279(12) . ?
O2 N5 1.244(13) . ?
O3 N5 1.208(13) . ?
O4 C21 1.33(4) . ?
O4 C21A 1.29(4) . ?
O5 N6 1.19(3) . ?
O5A N6A 1.28(4) . ?
O6 N6 1.27(3) . ?
O6A N6A 1.10(3) . ?
O7 C27 1.24(3) . ?
O7 C27A 1.39(4) . ?
O8 N7 1.24(3) . ?
O8A N7A 1.21(5) . ?
O9 N7 1.26(3) . ?
O9A N7A 1.29(6) . ?
N1 C1 1.324(13) . ?
N1 C5 1.349(14) . ?
N2 C6 1.268(14) . ?
N2 C7 1.481(14) . ?
N3 C8 1.451(15) . ?
N3 C9 1.266(14) . ?
N4 C10 1.363(13) . ?
N4 C14 1.37(6) . ?
N4 C14A 1.31(5) . ?
N5 C18 1.456(14) . ?
N6 C24 1.47(3) . ?
N6A C24A 1.54(3) . ?
N7 C30 1.41(3) . ?
N7A C30A 1.49(4) . ?
C1 H1 0.9300 . ?
C1 C2 1.415(15) . ?
C2 H2 0.9300 . ?
C2 C3 1.399(17) . ?
C3 C4 1.380(16) . ?
C4 H4 0.9300 . ?
C4 C5 1.375(15) . ?
C5 C6 1.485(14) . ?
C6 H6 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.52(2) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9 0.9300 . ?
C9 C10 1.453(15) . ?
C10 C11 1.44(6) . ?
C10 C11A 1.35(6) . ?
C11 H11 0.9300 . ?
C11 C12 1.28(6) . ?
C11A H11A 0.9300 . ?
C11A C12A 1.45(6) . ?
C12 C13 1.34(5) . ?
C12A C13A 1.44(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.38(6) . ?
C13A H13A 0.9300 . ?
C13A C14A 1.42(5) . ?
C14 H14 0.9300 . ?
C14A H14A 0.9300 . ?
C15 C16 1.416(15) . ?
C15 C20 1.419(14) . ?
C16 C17 1.361(15) . ?
C17 H17 0.9300 . ?
C17 C18 1.393(16) . ?
C18 C19 1.377(15) . ?
C19 H19 0.9300 . ?
C19 C20 1.362(14) . ?
C21 C22 1.50(4) . ?
C21 C26 1.38(4) . ?
C21A C22A 1.38(4) . ?
C21A C26A 1.39(4) . ?
C22 C23 1.37(3) . ?
C22A C23A 1.43(4) . ?
C23 H23 0.9300 . ?
C23 C24 1.43(4) . ?
C23A H23A 0.9300 . ?
C23A C24A 1.40(4) . ?
C24 C25 1.32(4) . ?
C24A C25A 1.35(4) . ?
C25 H25 0.9300 . ?
C25 C26 1.37(4) . ?
C25A H25A 0.9300 . ?
C25A C26A 1.40(3) . ?
C27 C28 1.40(3) . ?
C27 C32 1.40(3) . ?
C27A C28A 1.43(4) . ?
C27A C32A 1.34(5) . ?
C28 C29 1.40(3) . ?
C28A C29A 1.32(5) . ?
C29 H29 0.9300 . ?
C29 C30 1.42(3) . ?
C29A H29A 0.9300 . ?
C29A C30A 1.40(5) . ?
C30 C31 1.39(2) . ?
C30A C31A 1.34(4) . ?
C31 H31 0.9300 . ?
C31 C32 1.37(3) . ?
C31A H31A 0.9300 . ?
C31A C32A 1.45(5) . ?

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 O4 98.0(3) . . ?
O1 Dy1 O7 164.6(3) . . ?
O1 Dy1 N1 86.3(3) . . ?
O1 Dy1 N2 78.4(3) . . ?
O1 Dy1 N3 92.1(3) . . ?
O1 Dy1 N4 90.6(3) . . ?
O4 Dy1 O7 95.1(3) . . ?
O4 Dy1 N1 85.3(3) . . ?
O4 Dy1 N2 150.2(3) . . ?
O4 Dy1 N3 144.2(3) . . ?
O4 Dy1 N4 80.9(3) . . ?
O7 Dy1 N1 86.8(3) . . ?
O7 Dy1 N2 86.2(4) . . ?
O7 Dy1 N3 81.9(3) . . ?
O7 Dy1 N4 99.4(3) . . ?
N1 Dy1 N4 165.2(3) . . ?
N2 Dy1 N1 65.0(3) . . ?
N2 Dy1 N4 128.4(3) . . ?
N3 Dy1 N1 129.8(3) . . ?
N3 Dy1 N2 65.5(3) . . ?
N3 Dy1 N4 64.7(3) . . ?
C15 O1 Dy1 178.2(7) . . ?
C21 O4 Dy1 164.1(15) . . ?
C21A O4 Dy1 177.1(17) . . ?
C27 O7 Dy1 163.4(14) . . ?
C27A O7 Dy1 158.9(18) . . ?
C1 N1 Dy1 123.9(7) . . ?
C1 N1 C5 117.7(9) . . ?
C5 N1 Dy1 118.4(6) . . ?
C6 N2 Dy1 121.2(7) . . ?
C6 N2 C7 120.4(10) . . ?
C7 N2 Dy1 118.3(8) . . ?
C8 N3 Dy1 118.4(7) . . ?
C9 N3 Dy1 121.6(8) . . ?
C9 N3 C8 120.0(10) . . ?
C10 N4 Dy1 117.0(7) . . ?
C10 N4 C14 118(3) . . ?
C14 N4 Dy1 125(3) . . ?
C14A N4 Dy1 127(3) . . ?
C14A N4 C10 114(3) . . ?
O2 N5 C18 117.3(10) . . ?
O3 N5 O2 122.4(10) . . ?
O3 N5 C18 120.2(11) . . ?
O5 N6 O6 119(2) . . ?
O5 N6 C24 125(2) . . ?
O6 N6 C24 116(3) . . ?
O5A N6A C24A 112(3) . . ?
O6A N6A O5A 126(3) . . ?
O6A N6A C24A 122(3) . . ?
O8 N7 O9 122(2) . . ?
O8 N7 C30 120(2) . . ?
O9 N7 C30 118(2) . . ?
O8A N7A O9A 127(4) . . ?
O8A N7A C30A 118(4) . . ?
O9A N7A C30A 115(4) . . ?
N1 C1 H1 118.2 . . ?
N1 C1 C2 123.7(11) . . ?
C2 C1 H1 118.2 . . ?
C1 C2 H2 121.9 . . ?
C3 C2 C1 116.3(10) . . ?
C3 C2 H2 121.9 . . ?
C2 C3 Cl1 118.9(9) . . ?
C4 C3 Cl1 120.4(10) . . ?
C4 C3 C2 120.6(10) . . ?
C3 C4 H4 121.1 . . ?
C5 C4 C3 117.8(11) . . ?
C5 C4 H4 121.1 . . ?
N1 C5 C4 123.9(10) . . ?
N1 C5 C6 116.0(9) . . ?
C4 C5 C6 120.2(10) . . ?
N2 C6 C5 119.2(10) . . ?
N2 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
N2 C7 H7A 110.5 . . ?
N2 C7 H7B 110.5 . . ?
N2 C7 C8 106.3(12) . . ?
H7A C7 H7B 108.7 . . ?
C8 C7 H7A 110.5 . . ?
C8 C7 H7B 110.5 . . ?
N3 C8 C7 108.5(12) . . ?
N3 C8 H8A 110.0 . . ?
N3 C8 H8B 110.0 . . ?
C7 C8 H8A 110.0 . . ?
C7 C8 H8B 110.0 . . ?
H8A C8 H8B 108.4 . . ?
N3 C9 H9 120.0 . . ?
N3 C9 C10 120.0(10) . . ?
C10 C9 H9 120.0 . . ?
N4 C10 C9 116.4(9) . . ?
N4 C10 C11 119(2) . . ?
C11 C10 C9 125(2) . . ?
C11A C10 N4 126(2) . . ?
C11A C10 C9 117(2) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 C10 121(5) . . ?
C12 C11 H11 119.6 . . ?
C10 C11A H11A 121.6 . . ?
C10 C11A C12A 117(4) . . ?
C12A C11A H11A 121.6 . . ?
C11 C12 Cl2 116(4) . . ?
C11 C12 C13 120(4) . . ?
C13 C12 Cl2 123(3) . . ?
C11A C12A Cl2A 123(3) . . ?
C13A C12A Cl2A 116(2) . . ?
C13A C12A C11A 121(3) . . ?
C12 C13 H13 119.4 . . ?
C12 C13 C14 121(4) . . ?
C14 C13 H13 119.4 . . ?
C12A C13A H13A 124.1 . . ?
C14A C13A C12A 112(3) . . ?
C14A C13A H13A 124.1 . . ?
N4 C14 C13 120(4) . . ?
N4 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
N4 C14A C13A 130(4) . . ?
N4 C14A H14A 114.9 . . ?
C13A C14A H14A 114.9 . . ?
O1 C15 C16 122.9(9) . . ?
O1 C15 C20 123.1(10) . . ?
C16 C15 C20 113.9(9) . . ?
C15 C16 Cl3 117.6(8) . . ?
C17 C16 Cl3 118.7(9) . . ?
C17 C16 C15 123.7(10) . . ?
C16 C17 H17 120.9 . . ?
C16 C17 C18 118.2(11) . . ?
C18 C17 H17 120.9 . . ?
C17 C18 N5 119.9(11) . . ?
C19 C18 N5 118.0(10) . . ?
C19 C18 C17 122.1(10) . . ?
C18 C19 H19 121.2 . . ?
C20 C19 C18 117.7(9) . . ?
C20 C19 H19 121.1 . . ?
C15 C20 Cl4 116.5(8) . . ?
C19 C20 Cl4 119.1(8) . . ?
C19 C20 C15 124.4(10) . . ?
O4 C21 C22 124(3) . . ?
O4 C21 C26 120(3) . . ?
C26 C21 C22 116(3) . . ?
O4 C21A C22A 116(3) . . ?
O4 C21A C26A 125(3) . . ?
C22A C21A C26A 119(3) . . ?
C21 C22 Cl5 119(2) . . ?
C23 C22 Cl5 121(2) . . ?
C23 C22 C21 120(3) . . ?
C21A C22A Cl5A 119(2) . . ?
C21A C22A C23A 123(3) . . ?
C23A C22A Cl5A 118(2) . . ?
C22 C23 H23 121.6 . . ?
C22 C23 C24 117(3) . . ?
C24 C23 H23 121.6 . . ?
C22A C23A H23A 123.3 . . ?
C24A C23A C22A 113(3) . . ?
C24A C23A H23A 123.3 . . ?
C23 C24 N6 111(2) . . ?
C25 C24 N6 124(3) . . ?
C25 C24 C23 124(3) . . ?
C23A C24A N6A 119(3) . . ?
C25A C24A N6A 114(3) . . ?
C25A C24A C23A 127(3) . . ?
C24 C25 H25 120.4 . . ?
C24 C25 C26 119(3) . . ?
C26 C25 H25 120.4 . . ?
C24A C25A H25A 121.5 . . ?
C24A C25A C26A 117(3) . . ?
C26A C25A H25A 121.5 . . ?
C21 C26 Cl6 117(2) . . ?
C25 C26 Cl6 120(2) . . ?
C25 C26 C21 123(3) . . ?
C21A C26A Cl6A 121(2) . . ?
C21A C26A C25A 121(3) . . ?
C25A C26A Cl6A 118(2) . . ?
O7 C27 C28 120.2(19) . . ?
O7 C27 C32 126.5(18) . . ?
C32 C27 C28 113(2) . . ?
O7 C27A C28A 126(3) . . ?
C32A C27A O7 118(3) . . ?
C32A C27A C28A 115(3) . . ?
C27 C28 Cl7 118.5(17) . . ?
C29 C28 Cl7 115.6(15) . . ?
C29 C28 C27 125.9(19) . . ?
C27A C28A Cl7A 116(3) . . ?
C29A C28A Cl7A 118(3) . . ?
C29A C28A C27A 126(3) . . ?
C28 C29 H29 122.0 . . ?
C28 C29 C30 116.1(17) . . ?
C30 C29 H29 122.0 . . ?
C28A C29A H29A 122.7 . . ?
C28A C29A C30A 115(3) . . ?
C30A C29A H29A 122.7 . . ?
N7 C30 C29 119(2) . . ?
C31 C30 N7 120.5(19) . . ?
C31 C30 C29 120.8(18) . . ?
C29A C30A N7A 118(3) . . ?
C31A C30A N7A 115(3) . . ?
C31A C30A C29A 127(3) . . ?
C30 C31 H31 120.6 . . ?
C32 C31 C30 118.8(18) . . ?
C32 C31 H31 120.6 . . ?
C30A C31A H31A 123.3 . . ?
C30A C31A C32A 113(3) . . ?
C32A C31A H31A 123.3 . . ?
C27 C32 Cl8 117.7(15) . . ?
C31 C32 Cl8 117.3(15) . . ?
C31 C32 C27 125.0(18) . . ?
C27A C32A Cl8A 118(3) . . ?
C27A C32A C31A 124(3) . . ?
C31A C32A Cl8A 118(3) . . ?

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 O4 C21 C22 -7(8) . . . . ?
Dy1 O4 C21 C26 175(4) . . . . ?
Dy1 O7 C27 C28 105(4) . . . . ?
Dy1 O7 C27 C32 -71(5) . . . . ?
Dy1 O7 C27A C28A 71(8) . . . . ?
Dy1 O7 C27A C32A -116(4) . . . . ?
Dy1 N1 C1 C2 -178.9(8) . . . . ?
Dy1 N1 C5 C4 178.9(9) . . . . ?
Dy1 N1 C5 C6 -2.5(14) . . . . ?
Dy1 N2 C6 C5 4.1(18) . . . . ?
Dy1 N2 C7 C8 41.6(16) . . . . ?
Dy1 N3 C8 C7 42.5(16) . . . . ?
Dy1 N3 C9 C10 -2.9(14) . . . . ?
Dy1 N4 C10 C9 -5.9(12) . . . . ?
Dy1 N4 C10 C11 176(5) . . . . ?
Dy1 N4 C10 C11A 170(5) . . . . ?
Dy1 N4 C14 C13 -178(3) . . . . ?
Dy1 N4 C14A C13A -164(3) . . . . ?
Cl1 C3 C4 C5 -179.0(9) . . . . ?
Cl2 C12 C13 C14 175(5) . . . . ?
Cl2A C12A C13A C14A -179(3) . . . . ?
Cl3 C16 C17 C18 178.1(8) . . . . ?
Cl5 C22 C23 C24 -177.9(18) . . . . ?
Cl5A C22A C23A C24A -177.9(19) . . . . ?
Cl7 C28 C29 C30 -175.6(14) . . . . ?
Cl7A C28A C29A C30A 180(2) . . . . ?
O1 C15 C16 Cl3 1.5(14) . . . . ?
O1 C15 C16 C17 -178.6(10) . . . . ?
O1 C15 C20 Cl4 -0.7(13) . . . . ?
O1 C15 C20 C19 179.8(9) . . . . ?
O2 N5 C18 C17 -8.4(16) . . . . ?
O2 N5 C18 C19 171.6(10) . . . . ?
O3 N5 C18 C17 171.0(11) . . . . ?
O3 N5 C18 C19 -9.0(16) . . . . ?
O4 C21 C22 Cl5 0(4) . . . . ?
O4 C21 C22 C23 -179(3) . . . . ?
O4 C21 C26 Cl6 3(4) . . . . ?
O4 C21 C26 C25 180(3) . . . . ?
O4 C21A C22A Cl5A -4(4) . . . . ?
O4 C21A C22A C23A 178(3) . . . . ?
O4 C21A C26A Cl6A 1(4) . . . . ?
O4 C21A C26A C25A -175(3) . . . . ?
O5 N6 C24 C23 2(3) . . . . ?
O5 N6 C24 C25 -179(3) . . . . ?
O5A N6A C24A C23A -2(3) . . . . ?
O5A N6A C24A C25A 178(2) . . . . ?
O6 N6 C24 C23 -175(2) . . . . ?
O6 N6 C24 C25 4(4) . . . . ?
O6A N6A C24A C23A 179(2) . . . . ?
O6A N6A C24A C25A -2(4) . . . . ?
O7 C27 C28 Cl7 2(3) . . . . ?
O7 C27 C28 C29 -180(2) . . . . ?
O7 C27 C32 Cl8 -4(3) . . . . ?
O7 C27 C32 C31 175(2) . . . . ?
O7 C27A C28A Cl7A -9(5) . . . . ?
O7 C27A C28A C29A 176(4) . . . . ?
O7 C27A C32A Cl8A 3(5) . . . . ?
O7 C27A C32A C31A -174(3) . . . . ?
O8 N7 C30 C29 5(3) . . . . ?
O8 N7 C30 C31 -174(2) . . . . ?
O8A N7A C30A C29A 13(4) . . . . ?
O8A N7A C30A C31A -171(3) . . . . ?
O9 N7 C30 C29 -173.8(18) . . . . ?
O9 N7 C30 C31 7(3) . . . . ?
O9A N7A C30A C29A -168(3) . . . . ?
O9A N7A C30A C31A 8(4) . . . . ?
N1 C1 C2 C3 2.7(17) . . . . ?
N1 C5 C6 N2 -0.9(19) . . . . ?
N2 C7 C8 N3 -51.9(16) . . . . ?
N3 C9 C10 N4 5.9(16) . . . . ?
N3 C9 C10 C11 -176(6) . . . . ?
N3 C9 C10 C11A -170(5) . . . . ?
N4 C10 C11 C12 6(12) . . . . ?
N4 C10 C11A C12A -6(9) . . . . ?
N5 C18 C19 C20 -179.9(9) . . . . ?
N6 C24 C25 C26 -177(2) . . . . ?
N6A C24A C25A C26A -178(2) . . . . ?
N7 C30 C31 C32 -179.5(19) . . . . ?
N7A C30A C31A C32A -179(3) . . . . ?
C1 N1 C5 C4 1.5(18) . . . . ?
C1 N1 C5 C6 -179.9(11) . . . . ?
C1 C2 C3 Cl1 178.8(9) . . . . ?
C1 C2 C3 C4 -3.5(17) . . . . ?
C2 C3 C4 C5 3.3(19) . . . . ?
C3 C4 C5 N1 -2.3(19) . . . . ?
C3 C4 C5 C6 179.1(12) . . . . ?
C4 C5 C6 N2 177.7(13) . . . . ?
C5 N1 C1 C2 -1.7(17) . . . . ?
C6 N2 C7 C8 -141.3(14) . . . . ?
C7 N2 C6 C5 -173.0(14) . . . . ?
C8 N3 C9 C10 178.4(12) . . . . ?
C9 N3 C8 C7 -138.8(12) . . . . ?
C9 C10 C11 C12 -172(6) . . . . ?
C9 C10 C11A C12A 169(4) . . . . ?
C10 N4 C14 C13 -1(6) . . . . ?
C10 N4 C14A C13A 1(6) . . . . ?
C10 C11 C12 Cl2 -178(6) . . . . ?
C10 C11 C12 C13 -8(12) . . . . ?
C10 C11A C12A Cl2A -178(5) . . . . ?
C10 C11A C12A C13A 5(9) . . . . ?
C11 C12 C13 C14 6(8) . . . . ?
C11A C12A C13A C14A -1(6) . . . . ?
C12 C13 C14 N4 -1(7) . . . . ?
C12A C13A C14A N4 -2(6) . . . . ?
C14 N4 C10 C9 177(3) . . . . ?
C14 N4 C10 C11 -1(6) . . . . ?
C14A N4 C10 C9 -172(3) . . . . ?
C14A N4 C10 C11A 4(6) . . . . ?
C15 C16 C17 C18 -1.8(17) . . . . ?
C16 C15 C20 Cl4 179.3(7) . . . . ?
C16 C15 C20 C19 -0.3(14) . . . . ?
C16 C17 C18 N5 -179.1(10) . . . . ?
C16 C17 C18 C19 0.9(17) . . . . ?
C17 C18 C19 C20 0.1(16) . . . . ?
C18 C19 C20 Cl4 180.0(8) . . . . ?
C18 C19 C20 C15 -0.5(15) . . . . ?
C20 C15 C16 Cl3 -178.5(7) . . . . ?
C20 C15 C16 C17 1.4(15) . . . . ?
C21 C22 C23 C24 1(3) . . . . ?
C21A C22A C23A C24A 0(4) . . . . ?
C22 C21 C26 Cl6 -175(2) . . . . ?
C22 C21 C26 C25 2(4) . . . . ?
C22 C23 C24 N6 178(2) . . . . ?
C22 C23 C24 C25 -2(4) . . . . ?
C22A C21A C26A Cl6A -177(2) . . . . ?
C22A C21A C26A C25A 7(4) . . . . ?
C22A C23A C24A N6A -179(2) . . . . ?
C22A C23A C24A C25A 2(4) . . . . ?
C23 C24 C25 C26 2(4) . . . . ?
C23A C24A C25A C26A 1(4) . . . . ?
C24 C25 C26 Cl6 175(2) . . . . ?
C24 C25 C26 C21 -2(4) . . . . ?
C24A C25A C26A Cl6A 177.9(19) . . . . ?
C24A C25A C26A C21A -6(4) . . . . ?
C26 C21 C22 Cl5 178(2) . . . . ?
C26 C21 C22 C23 -1(4) . . . . ?
C26A C21A C22A Cl5A 173(2) . . . . ?
C26A C21A C22A C23A -4(4) . . . . ?
C27 C28 C29 C30 6(3) . . . . ?
C27A C28A C29A C30A -5(5) . . . . ?
C28 C27 C32 Cl8 179.7(17) . . . . ?
C28 C27 C32 C31 -1(3) . . . . ?
C28 C29 C30 N7 175.9(18) . . . . ?
C28 C29 C30 C31 -5(3) . . . . ?
C28A C27A C32A Cl8A 177(3) . . . . ?
C28A C27A C32A C31A 0(5) . . . . ?
C28A C29A C30A N7A -179(3) . . . . ?
C28A C29A C30A C31A 6(5) . . . . ?
C29 C30 C31 C32 1(3) . . . . ?
C29A C30A C31A C32A -4(5) . . . . ?
C30 C31 C32 Cl8 -178.8(15) . . . . ?
C30 C31 C32 C27 2(3) . . . . ?
C30A C31A C32A Cl8A -176(2) . . . . ?
C30A C31A C32A C27A 1(5) . . . . ?
C32 C27 C28 Cl7 178.4(16) . . . . ?
C32 C27 C28 C29 -3(3) . . . . ?
C32A C27A C28A Cl7A 178(3) . . . . ?
C32A C27A C28A C29A 2(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.036
_oxdiff_exptl_absorpt_empirical_full_min 0.644
####################################################################### 
# 
# 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_lxy191125b
_database_code_depnum_ccdc_archive 'CCDC 2102599'
loop_
_audit_author_name
_audit_author_address
CV
;NingXia University
China
;
_audit_update_record             
;
2022-01-14 deposited with the CCDC.	2022-04-04 downloaded from the CCDC.
;
_audit_creation_date             2019-11-29
_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         'C32 H18 Cl8 Dy N7 O9, 0.5(C2 H3 N)'
_chemical_formula_sum            'C33 H19.50 Cl8 Dy N7.50 O9'
_chemical_formula_weight         1111.16
_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'
Cl Cl 0.1484 0.1585 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.2759(7)
_cell_length_b                   13.1435(9)
_cell_length_c                   15.0492(9)
_cell_angle_alpha                85.319(5)
_cell_angle_beta                 68.224(6)
_cell_angle_gamma                73.146(6)
_cell_volume                     1981.4(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6293
_cell_measurement_theta_min      2.8750
_cell_measurement_theta_max      28.0840
_shelx_estimated_absorpt_T_max   0.789
_shelx_estimated_absorpt_T_min   0.754
_exptl_absorpt_coefficient_mu    2.489
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90560
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.862
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0430
_diffrn_reflns_av_unetI/netI     0.0789
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.839
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18723
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.839
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.512
_diffrn_reflns_theta_min         2.020
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.839
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7780
_reflns_number_total             9276
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.008
_refine_diff_density_min         -0.793
_refine_diff_density_rms         0.171
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     542
_refine_ls_number_reflns         9276
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0621
_refine_ls_R_factor_gt           0.0475
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0208P)²+3.5413P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0842
_refine_ls_wR_factor_ref         0.0915
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C1A-N8
 1.137 with sigma of 0.01
 C1A-C1B
 1.456 with sigma of 0.01
 C1B-N8
 2.593 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
N8 \\sim C1A \\sim C1B: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08
4. Rigid body (RIGU) restrains
 N8, C1A, C1B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: N8(0.5) C1A(0.5) C1B(0.5) H1BA(0.5) H1BB(0.5) H1BC(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B)
6.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C4(H4), C6(H6), C9(H9), C11(H11), C13(H13), C14(H14),
 C17(H17), C19(H19), C23(H23), C25(H25), C29(H29), C31(H31)
6.c Idealised Me refined as rotating group:
 C1B(H1BA,H1BB,H1BC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.61580(2) 0.71204(2) 0.23342(2) 0.01111(7) Uani 1 1 d . . . . .
Cl1 Cl 0.62327(12) 0.51142(10) -0.18899(9) 0.0233(3) Uani 1 1 d . . . . .
Cl2 Cl 0.52894(13) 0.80376(11) 0.71160(9) 0.0244(3) Uani 1 1 d . . . . .
Cl3 Cl 0.99687(12) 0.58610(10) 0.24783(10) 0.0236(3) Uani 1 1 d . . . . .
Cl4 Cl 0.65728(11) 0.36523(10) 0.25465(10) 0.0219(3) Uani 1 1 d . . . . .
Cl5 Cl 0.25023(12) 0.76594(10) 0.18010(9) 0.0219(3) Uani 1 1 d . . . . .
Cl6 Cl 0.36163(12) 0.60648(11) 0.49290(9) 0.0252(3) Uani 1 1 d . . . . .
Cl7 Cl 0.77954(12) 0.98474(11) 0.25624(10) 0.0290(3) Uani 1 1 d . . . . .
Cl8 Cl 0.96302(12) 0.64871(10) 0.00988(9) 0.0236(3) Uani 1 1 d . . . . .
O1 O 0.7437(3) 0.5559(3) 0.2512(2) 0.0157(7) Uani 1 1 d . . . . .
O2 O 1.2590(3) 0.1842(3) 0.1832(3) 0.0250(8) Uani 1 1 d . . . . .
O3 O 1.1146(4) 0.0941(3) 0.2251(3) 0.0303(9) Uani 1 1 d . . . . .
O4 O 0.4246(3) 0.6716(2) 0.2907(2) 0.0150(7) Uani 1 1 d . . . . .
O5 O -0.1918(4) 0.8484(4) 0.4733(3) 0.0473(12) Uani 1 1 d . . . . .
O6 O -0.1505(4) 0.7785(5) 0.5969(3) 0.0575(15) Uani 1 1 d . . . . .
O7 O 0.7745(3) 0.7895(3) 0.1760(2) 0.0191(8) Uani 1 1 d . . . . .
O8 O 1.2424(3) 0.9964(3) 0.0088(3) 0.0287(9) Uani 1 1 d . . . . .
O9 O 1.3258(3) 0.8512(3) -0.0792(3) 0.0257(8) Uani 1 1 d . . . . .
N1 N 0.6431(3) 0.6336(3) 0.0753(3) 0.0123(8) Uani 1 1 d . . . . .
N2 N 0.5333(3) 0.8434(3) 0.1254(3) 0.0132(8) Uani 1 1 d . . . . .
N3 N 0.4595(4) 0.8843(3) 0.3132(3) 0.0149(9) Uani 1 1 d . . . . .
N4 N 0.5984(4) 0.7412(3) 0.4037(3) 0.0148(8) Uani 1 1 d . . . . .
N5 N 1.1436(4) 0.1787(3) 0.2106(3) 0.0209(10) Uani 1 1 d . . . . .
N6 N -0.1146(4) 0.7953(5) 0.5109(4) 0.0381(13) Uani 1 1 d . . . . .
N7 N 1.2344(4) 0.9124(3) -0.0167(3) 0.0195(9) Uani 1 1 d . . . . .
C1 C 0.6957(5) 0.5319(4) 0.0481(4) 0.0171(10) Uani 1 1 d . . . . .
H1 H 0.735973 0.486009 0.085598 0.021 Uiso 1 1 calc R . . . .
C2 C 0.6943(4) 0.4891(4) -0.0337(3) 0.0151(10) Uani 1 1 d . . . . .
H2 H 0.733356 0.417268 -0.050650 0.018 Uiso 1 1 calc R . . . .
C3 C 0.6325(4) 0.5579(4) -0.0884(3) 0.0128(10) Uani 1 1 d . . . . .
C4 C 0.5796(4) 0.6646(4) -0.0635(3) 0.0159(10) Uani 1 1 d . . . . .
H4 H 0.539691 0.711831 -0.100418 0.019 Uiso 1 1 calc R . . . .
C5 C 0.5875(4) 0.6999(4) 0.0183(4) 0.0138(10) Uani 1 1 d . . . . .
C6 C 0.5335(4) 0.8130(4) 0.0484(4) 0.0154(10) Uani 1 1 d . . . . .
H6 H 0.499343 0.862484 0.009894 0.018 Uiso 1 1 calc R . . . .
C7 C 0.4735(5) 0.9549(4) 0.1571(4) 0.0166(10) Uani 1 1 d . . . . .
H7A H 0.422580 0.992454 0.118765 0.020 Uiso 1 1 calc R . . . .
H7B H 0.542347 0.988603 0.150108 0.020 Uiso 1 1 calc R . . . .
C8 C 0.3831(4) 0.9582(4) 0.2616(3) 0.0143(10) Uani 1 1 d . . . . .
H8A H 0.354013 1.029807 0.288482 0.017 Uiso 1 1 calc R . . . .
H8B H 0.305158 0.937007 0.267225 0.017 Uiso 1 1 calc R . . . .
C9 C 0.4411(5) 0.9087(4) 0.3989(4) 0.0175(10) Uani 1 1 d . . . . .
H9 H 0.383927 0.973773 0.427169 0.021 Uiso 1 1 calc R . . . .
C10 C 0.5121(4) 0.8319(4) 0.4521(3) 0.0147(10) Uani 1 1 d . . . . .
C11 C 0.4878(4) 0.8539(4) 0.5465(4) 0.0173(10) Uani 1 1 d . . . . .
H11 H 0.428893 0.917570 0.576957 0.021 Uiso 1 1 calc R . . . .
C12 C 0.5541(5) 0.7780(4) 0.5945(4) 0.0189(11) Uani 1 1 d . . . . .
C13 C 0.6390(5) 0.6843(4) 0.5483(4) 0.0210(11) Uani 1 1 d . . . . .
H13 H 0.682160 0.631866 0.580048 0.025 Uiso 1 1 calc R . . . .
C14 C 0.6590(5) 0.6695(4) 0.4526(4) 0.0207(11) Uani 1 1 d . . . . .
H14 H 0.717636 0.606245 0.421159 0.025 Uiso 1 1 calc R . . . .
C15 C 0.8357(4) 0.4686(4) 0.2452(3) 0.0132(10) Uani 1 1 d . . . . .
C16 C 0.9651(5) 0.4649(4) 0.2399(4) 0.0151(10) Uani 1 1 d . . . . .
C17 C 1.0653(5) 0.3723(4) 0.2293(4) 0.0174(11) Uani 1 1 d . . . . .
H17 H 1.149559 0.373535 0.224346 0.021 Uiso 1 1 calc R . . . .
C18 C 1.0374(4) 0.2765(4) 0.2260(3) 0.0149(10) Uani 1 1 d . . . . .
C19 C 0.9123(5) 0.2731(4) 0.2361(4) 0.0172(10) Uani 1 1 d . . . . .
H19 H 0.894274 0.208256 0.236620 0.021 Uiso 1 1 calc R . . . .
C20 C 0.8143(4) 0.3672(4) 0.2453(3) 0.0151(10) Uani 1 1 d . . . . .
C21 C 0.2989(5) 0.6947(4) 0.3414(3) 0.0148(10) Uani 1 1 d . . . . .
C22 C 0.1993(5) 0.7440(4) 0.3017(4) 0.0166(10) Uani 1 1 d . . . . .
C23 C 0.0657(5) 0.7755(4) 0.3562(4) 0.0219(11) Uani 1 1 d . . . . .
H23 H 0.003788 0.810361 0.328736 0.026 Uiso 1 1 calc R . . . .
C24 C 0.0256(5) 0.7542(5) 0.4521(4) 0.0263(12) Uani 1 1 d . . . . .
C25 C 0.1150(5) 0.7018(5) 0.4949(4) 0.0268(13) Uani 1 1 d . . . . .
H25 H 0.085694 0.687345 0.559750 0.032 Uiso 1 1 calc R . . . .
C26 C 0.2488(5) 0.6716(4) 0.4392(4) 0.0189(11) Uani 1 1 d . . . . .
C27 C 0.8808(4) 0.8190(4) 0.1294(3) 0.0163(10) Uani 1 1 d . . . . .
C28 C 0.9014(4) 0.9107(4) 0.1577(4) 0.0172(10) Uani 1 1 d . . . . .
C29 C 1.0152(4) 0.9425(4) 0.1086(4) 0.0167(11) Uani 1 1 d . . . . .
H29 H 1.026254 1.003407 0.128058 0.020 Uiso 1 1 calc R . . . .
C30 C 1.1106(4) 0.8826(4) 0.0313(4) 0.0157(10) Uani 1 1 d . . . . .
C31 C 1.0979(4) 0.7921(4) -0.0014(3) 0.0141(10) Uani 1 1 d . . . . .
H31 H 1.164195 0.753047 -0.054733 0.017 Uiso 1 1 calc R . . . .
C32 C 0.9832(5) 0.7618(4) 0.0480(4) 0.0170(10) Uani 1 1 d . . . . .
N8 N -0.1147(19) 1.0360(15) 0.5133(15) 0.105(6) Uani 0.5 1 d D U P A -1
C1A C -0.0280(14) 0.9984(14) 0.5382(13) 0.073(6) Uani 0.5 1 d D U P A -1
C1B C 0.0852(19) 0.9448(14) 0.5654(14) 0.077(6) Uani 0.5 1 d D U P A -1
H1BA H 0.153414 0.900315 0.512842 0.115 Uiso 0.5 1 calc GR . P A -1
H1BB H 0.057744 0.901908 0.619757 0.115 Uiso 0.5 1 calc GR . P A -1
H1BC H 0.119378 0.996764 0.581442 0.115 Uiso 0.5 1 calc GR . P A -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.201(3) . ?
Dy1 O4 2.210(3) . ?
Dy1 O7 2.180(3) . ?
Dy1 N1 2.549(4) . ?
Dy1 N2 2.494(4) . ?
Dy1 N3 2.496(4) . ?
Dy1 N4 2.548(4) . ?
Cl1 C3 1.727(5) . ?
Cl2 C12 1.723(5) . ?
Cl3 C16 1.753(5) . ?
Cl4 C20 1.730(4) . ?
Cl5 C22 1.729(5) . ?
Cl6 C26 1.738(5) . ?
Cl7 C28 1.727(5) . ?
Cl8 C32 1.738(5) . ?
O1 C15 1.288(5) . ?
O2 N5 1.233(5) . ?
O3 N5 1.229(5) . ?
O4 C21 1.291(5) . ?
O5 N6 1.230(6) . ?
O6 N6 1.227(6) . ?
O7 C27 1.296(5) . ?
O8 N7 1.236(5) . ?
O9 N7 1.232(5) . ?
N1 C1 1.325(6) . ?
N1 C5 1.359(6) . ?
N2 C6 1.256(6) . ?
N2 C7 1.460(6) . ?
N3 C8 1.476(6) . ?
N3 C9 1.281(6) . ?
N4 C10 1.357(6) . ?
N4 C14 1.336(6) . ?
N5 C18 1.446(6) . ?
N6 C24 1.456(7) . ?
N7 C30 1.466(6) . ?
C1 H1 0.9300 . ?
C1 C2 1.401(7) . ?
C2 H2 0.9300 . ?
C2 C3 1.385(6) . ?
C3 C4 1.377(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.391(7) . ?
C5 C6 1.472(6) . ?
C6 H6 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.520(7) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9 0.9300 . ?
C9 C10 1.474(6) . ?
C10 C11 1.383(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.388(7) . ?
C12 C13 1.371(7) . ?
C13 H13 0.9300 . ?
C13 C14 1.393(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.418(6) . ?
C15 C20 1.422(6) . ?
C16 C17 1.372(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.391(6) . ?
C18 C19 1.377(6) . ?
C19 H19 0.9300 . ?
C19 C20 1.376(6) . ?
C21 C22 1.433(6) . ?
C21 C26 1.410(7) . ?
C22 C23 1.375(7) . ?
C23 H23 0.9300 . ?
C23 C24 1.375(7) . ?
C24 C25 1.383(7) . ?
C25 H25 0.9300 . ?
C25 C26 1.380(7) . ?
C27 C28 1.417(7) . ?
C27 C32 1.413(7) . ?
C28 C29 1.386(6) . ?
C29 H29 0.9300 . ?
C29 C30 1.364(7) . ?
C30 C31 1.387(7) . ?
C31 H31 0.9300 . ?
C31 C32 1.387(6) . ?
N8 C1A 1.142(9) . ?
C1A C1B 1.453(9) . ?
C1B H1BA 0.9600 . ?
C1B H1BB 0.9600 . ?
C1B H1BC 0.9600 . ?

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 O4 97.51(11) . . ?
O1 Dy1 N1 85.50(12) . . ?
O1 Dy1 N2 148.84(13) . . ?
O1 Dy1 N3 145.98(13) . . ?
O1 Dy1 N4 81.54(12) . . ?
O4 Dy1 N1 85.31(11) . . ?
O4 Dy1 N2 90.56(11) . . ?
O4 Dy1 N3 78.81(12) . . ?
O4 Dy1 N4 89.76(12) . . ?
O7 Dy1 O1 95.95(12) . . ?
O7 Dy1 O4 166.47(12) . . ?
O7 Dy1 N1 97.13(12) . . ?
O7 Dy1 N2 78.53(11) . . ?
O7 Dy1 N3 89.25(12) . . ?
O7 Dy1 N4 90.87(12) . . ?
N2 Dy1 N1 65.15(12) . . ?
N2 Dy1 N3 65.11(13) . . ?
N2 Dy1 N4 128.74(13) . . ?
N3 Dy1 N1 127.28(12) . . ?
N3 Dy1 N4 64.74(12) . . ?
N4 Dy1 N1 165.41(12) . . ?
C15 O1 Dy1 168.2(3) . . ?
C21 O4 Dy1 151.4(3) . . ?
C27 O7 Dy1 168.2(3) . . ?
C1 N1 Dy1 125.5(3) . . ?
C1 N1 C5 117.2(4) . . ?
C5 N1 Dy1 117.0(3) . . ?
C6 N2 Dy1 120.5(3) . . ?
C6 N2 C7 120.3(4) . . ?
C7 N2 Dy1 119.0(3) . . ?
C8 N3 Dy1 119.2(3) . . ?
C9 N3 Dy1 121.6(3) . . ?
C9 N3 C8 119.1(4) . . ?
C10 N4 Dy1 118.2(3) . . ?
C14 N4 Dy1 124.8(3) . . ?
C14 N4 C10 116.8(4) . . ?
O2 N5 C18 118.3(4) . . ?
O3 N5 O2 123.1(4) . . ?
O3 N5 C18 118.5(4) . . ?
O5 N6 C24 119.0(5) . . ?
O6 N6 O5 122.4(5) . . ?
O6 N6 C24 118.5(5) . . ?
O8 N7 C30 118.4(4) . . ?
O9 N7 O8 123.6(4) . . ?
O9 N7 C30 118.0(4) . . ?
N1 C1 H1 118.0 . . ?
N1 C1 C2 124.1(4) . . ?
C2 C1 H1 118.0 . . ?
C1 C2 H2 121.3 . . ?
C3 C2 C1 117.4(4) . . ?
C3 C2 H2 121.3 . . ?
C2 C3 Cl1 120.5(4) . . ?
C4 C3 Cl1 119.5(4) . . ?
C4 C3 C2 120.0(4) . . ?
C3 C4 H4 120.8 . . ?
C3 C4 C5 118.4(4) . . ?
C5 C4 H4 120.8 . . ?
N1 C5 C4 122.9(4) . . ?
N1 C5 C6 116.2(4) . . ?
C4 C5 C6 120.9(4) . . ?
N2 C6 C5 120.6(4) . . ?
N2 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
N2 C7 H7A 110.2 . . ?
N2 C7 H7B 110.2 . . ?
N2 C7 C8 107.7(4) . . ?
H7A C7 H7B 108.5 . . ?
C8 C7 H7A 110.2 . . ?
C8 C7 H7B 110.2 . . ?
N3 C8 C7 107.8(4) . . ?
N3 C8 H8A 110.1 . . ?
N3 C8 H8B 110.1 . . ?
C7 C8 H8A 110.1 . . ?
C7 C8 H8B 110.1 . . ?
H8A C8 H8B 108.5 . . ?
N3 C9 H9 120.5 . . ?
N3 C9 C10 118.9(4) . . ?
C10 C9 H9 120.5 . . ?
N4 C10 C9 116.5(4) . . ?
N4 C10 C11 123.6(4) . . ?
C11 C10 C9 119.9(4) . . ?
C10 C11 H11 121.1 . . ?
C10 C11 C12 117.9(5) . . ?
C12 C11 H11 121.1 . . ?
C11 C12 Cl2 119.2(4) . . ?
C13 C12 Cl2 121.0(4) . . ?
C13 C12 C11 119.8(5) . . ?
C12 C13 H13 120.8 . . ?
C12 C13 C14 118.5(5) . . ?
C14 C13 H13 120.8 . . ?
N4 C14 C13 123.5(5) . . ?
N4 C14 H14 118.3 . . ?
C13 C14 H14 118.3 . . ?
O1 C15 C16 123.4(4) . . ?
O1 C15 C20 122.2(4) . . ?
C16 C15 C20 114.3(4) . . ?
C15 C16 Cl3 117.5(3) . . ?
C17 C16 Cl3 118.9(3) . . ?
C17 C16 C15 123.7(4) . . ?
C16 C17 H17 120.9 . . ?
C16 C17 C18 118.2(4) . . ?
C18 C17 H17 120.9 . . ?
C17 C18 N5 118.8(4) . . ?
C19 C18 N5 119.5(4) . . ?
C19 C18 C17 121.7(4) . . ?
C18 C19 H19 120.6 . . ?
C20 C19 C18 118.8(4) . . ?
C20 C19 H19 120.6 . . ?
C15 C20 Cl4 117.1(3) . . ?
C19 C20 Cl4 119.8(4) . . ?
C19 C20 C15 123.1(4) . . ?
O4 C21 C22 122.3(4) . . ?
O4 C21 C26 122.9(4) . . ?
C26 C21 C22 114.7(4) . . ?
C21 C22 Cl5 118.3(4) . . ?
C23 C22 Cl5 118.9(4) . . ?
C23 C22 C21 122.8(5) . . ?
C22 C23 H23 120.7 . . ?
C24 C23 C22 118.6(5) . . ?
C24 C23 H23 120.7 . . ?
C23 C24 N6 118.2(5) . . ?
C23 C24 C25 122.1(5) . . ?
C25 C24 N6 119.5(5) . . ?
C24 C25 H25 120.7 . . ?
C26 C25 C24 118.5(5) . . ?
C26 C25 H25 120.7 . . ?
C21 C26 Cl6 118.3(4) . . ?
C25 C26 Cl6 118.6(4) . . ?
C25 C26 C21 123.0(4) . . ?
O7 C27 C28 121.7(5) . . ?
O7 C27 C32 122.3(4) . . ?
C32 C27 C28 116.0(4) . . ?
C27 C28 Cl7 118.3(4) . . ?
C29 C28 Cl7 119.6(4) . . ?
C29 C28 C27 122.1(5) . . ?
C28 C29 H29 120.7 . . ?
C30 C29 C28 118.6(5) . . ?
C30 C29 H29 120.7 . . ?
C29 C30 N7 118.5(4) . . ?
C29 C30 C31 122.9(4) . . ?
C31 C30 N7 118.5(4) . . ?
C30 C31 H31 121.1 . . ?
C32 C31 C30 117.7(5) . . ?
C32 C31 H31 121.1 . . ?
C27 C32 Cl8 118.0(3) . . ?
C31 C32 Cl8 119.4(4) . . ?
C31 C32 C27 122.6(4) . . ?
N8 C1A C1B 176(2) . . ?
C1A C1B H1BA 109.5 . . ?
C1A C1B H1BB 109.5 . . ?
C1A C1B H1BC 109.5 . . ?
H1BA C1B H1BB 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 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 C15 C16 59.1(17) . . . . ?
Dy1 O1 C15 C20 -122.1(14) . . . . ?
Dy1 O4 C21 C22 91.5(7) . . . . ?
Dy1 O4 C21 C26 -89.8(7) . . . . ?
Dy1 O7 C27 C28 -176.4(12) . . . . ?
Dy1 O7 C27 C32 3.2(18) . . . . ?
Dy1 N1 C1 C2 171.7(3) . . . . ?
Dy1 N1 C5 C4 -171.3(3) . . . . ?
Dy1 N1 C5 C6 8.1(5) . . . . ?
Dy1 N2 C6 C5 -2.5(6) . . . . ?
Dy1 N2 C7 C8 -42.6(4) . . . . ?
Dy1 N3 C8 C7 -38.4(4) . . . . ?
Dy1 N3 C9 C10 -1.3(6) . . . . ?
Dy1 N4 C10 C9 -3.3(5) . . . . ?
Dy1 N4 C10 C11 175.9(3) . . . . ?
Dy1 N4 C14 C13 -174.5(3) . . . . ?
Cl1 C3 C4 C5 179.5(3) . . . . ?
Cl2 C12 C13 C14 -177.7(4) . . . . ?
Cl3 C16 C17 C18 178.1(4) . . . . ?
Cl5 C22 C23 C24 177.6(4) . . . . ?
Cl7 C28 C29 C30 179.6(4) . . . . ?
O1 C15 C16 Cl3 3.1(7) . . . . ?
O1 C15 C16 C17 -177.0(5) . . . . ?
O1 C15 C20 Cl4 -0.4(6) . . . . ?
O1 C15 C20 C19 178.0(5) . . . . ?
O2 N5 C18 C17 -13.4(7) . . . . ?
O2 N5 C18 C19 165.9(4) . . . . ?
O3 N5 C18 C17 166.8(5) . . . . ?
O3 N5 C18 C19 -13.9(7) . . . . ?
O4 C21 C22 Cl5 3.9(6) . . . . ?
O4 C21 C22 C23 -175.5(4) . . . . ?
O4 C21 C26 Cl6 -1.5(7) . . . . ?
O4 C21 C26 C25 176.0(5) . . . . ?
O5 N6 C24 C23 -0.8(8) . . . . ?
O5 N6 C24 C25 174.8(5) . . . . ?
O6 N6 C24 C23 -178.5(5) . . . . ?
O6 N6 C24 C25 -3.0(8) . . . . ?
O7 C27 C28 Cl7 -0.7(6) . . . . ?
O7 C27 C28 C29 179.6(4) . . . . ?
O7 C27 C32 Cl8 0.5(6) . . . . ?
O7 C27 C32 C31 -179.1(4) . . . . ?
O8 N7 C30 C29 -7.0(6) . . . . ?
O8 N7 C30 C31 175.7(4) . . . . ?
O9 N7 C30 C29 171.8(4) . . . . ?
O9 N7 C30 C31 -5.5(6) . . . . ?
N1 C1 C2 C3 -0.8(7) . . . . ?
N1 C5 C6 N2 -4.0(6) . . . . ?
N2 C7 C8 N3 49.6(5) . . . . ?
N3 C9 C10 N4 3.1(6) . . . . ?
N3 C9 C10 C11 -176.2(4) . . . . ?
N4 C10 C11 C12 -1.0(7) . . . . ?
N5 C18 C19 C20 -176.4(4) . . . . ?
N6 C24 C25 C26 -174.5(5) . . . . ?
N7 C30 C31 C32 176.5(4) . . . . ?
C1 N1 C5 C4 2.5(6) . . . . ?
C1 N1 C5 C6 -178.1(4) . . . . ?
C1 C2 C3 Cl1 -178.7(3) . . . . ?
C1 C2 C3 C4 2.3(6) . . . . ?
C2 C3 C4 C5 -1.5(6) . . . . ?
C3 C4 C5 N1 -1.0(7) . . . . ?
C3 C4 C5 C6 179.6(4) . . . . ?
C4 C5 C6 N2 175.4(4) . . . . ?
C5 N1 C1 C2 -1.5(6) . . . . ?
C6 N2 C7 C8 131.9(4) . . . . ?
C7 N2 C6 C5 -176.9(4) . . . . ?
C8 N3 C9 C10 176.6(4) . . . . ?
C9 N3 C8 C7 143.7(4) . . . . ?
C9 C10 C11 C12 178.2(4) . . . . ?
C10 N4 C14 C13 -0.9(7) . . . . ?
C10 C11 C12 Cl2 178.7(3) . . . . ?
C10 C11 C12 C13 -0.9(7) . . . . ?
C11 C12 C13 C14 1.8(7) . . . . ?
C12 C13 C14 N4 -0.9(7) . . . . ?
C14 N4 C10 C9 -177.4(4) . . . . ?
C14 N4 C10 C11 1.9(6) . . . . ?
C15 C16 C17 C18 -1.8(8) . . . . ?
C16 C15 C20 Cl4 178.4(3) . . . . ?
C16 C15 C20 C19 -3.2(7) . . . . ?
C16 C17 C18 N5 177.3(4) . . . . ?
C16 C17 C18 C19 -2.0(7) . . . . ?
C17 C18 C19 C20 2.9(7) . . . . ?
C18 C19 C20 Cl4 178.2(4) . . . . ?
C18 C19 C20 C15 -0.2(8) . . . . ?
C20 C15 C16 Cl3 -175.7(4) . . . . ?
C20 C15 C16 C17 4.2(7) . . . . ?
C21 C22 C23 C24 -3.1(7) . . . . ?
C22 C21 C26 Cl6 177.3(3) . . . . ?
C22 C21 C26 C25 -5.2(7) . . . . ?
C22 C23 C24 N6 175.0(5) . . . . ?
C22 C23 C24 C25 -0.4(8) . . . . ?
C23 C24 C25 C26 0.9(8) . . . . ?
C24 C25 C26 Cl6 179.6(4) . . . . ?
C24 C25 C26 C21 2.2(8) . . . . ?
C26 C21 C22 Cl5 -175.0(4) . . . . ?
C26 C21 C22 C23 5.7(7) . . . . ?
C27 C28 C29 C30 -0.7(7) . . . . ?
C28 C27 C32 Cl8 -179.8(3) . . . . ?
C28 C27 C32 C31 0.5(7) . . . . ?
C28 C29 C30 N7 -176.1(4) . . . . ?
C28 C29 C30 C31 1.0(7) . . . . ?
C29 C30 C31 C32 -0.6(7) . . . . ?
C30 C31 C32 Cl8 -179.8(3) . . . . ?
C30 C31 C32 C27 -0.2(7) . . . . ?
C32 C27 C28 Cl7 179.6(3) . . . . ?
C32 C27 C28 C29 -0.1(7) . . . . ?

_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_xj1'
_database_code_depnum_ccdc_archive 'CCDC 2102600'
loop_
_audit_author_name
_audit_author_address
GU
;NingXia University
China
;
_audit_update_record             
;
2022-01-14 deposited with the CCDC.	2022-04-04 downloaded from the CCDC.
;
_audit_creation_date             2020-08-18
_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         'C32 H18 Cl8 Dy N7 O9'
_chemical_formula_sum            'C32 H18 Cl8 Dy N7 O9'
_chemical_formula_weight         1090.63
_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'
Cl Cl 0.1484 0.1585 '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           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                   12.212(14)
_cell_length_b                   17.002(19)
_cell_length_c                   20.87(3)
_cell_angle_alpha                90
_cell_angle_beta                 95.14(4)
_cell_angle_gamma                90
_cell_volume                     4315(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4004
_cell_measurement_temperature    296.0
_cell_measurement_theta_max      24.60
_cell_measurement_theta_min      2.21
_shelx_estimated_absorpt_T_max   0.804
_shelx_estimated_absorpt_T_min   0.771
_exptl_absorpt_coefficient_mu    2.283
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2132
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0601
_diffrn_reflns_av_unetI/netI     0.0476
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            58946
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.624
_diffrn_reflns_theta_min         1.960
_diffrn_ambient_temperature      296.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6930
_reflns_number_total             9589
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.825
_refine_diff_density_min         -1.156
_refine_diff_density_rms         0.109
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     666
_refine_ls_number_reflns         9589
_refine_ls_number_restraints     653
_refine_ls_R_factor_all          0.0963
_refine_ls_R_factor_gt           0.0602
_refine_ls_restrained_S_all      1.162
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+23.1563P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1097
_refine_ls_wR_factor_ref         0.1262
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 Cl4-C12 \\sim Cl4A-C12A
 with sigma of 0.02
 O4-C7A \\sim O4-C7
 with sigma of 0.02
 Cl3A-C8A \\sim Cl3-C8
 with sigma of 0.02
 N2A-C10A \\sim N2-C10
 with sigma of 0.02
 O6A-N2A \\sim O6-N2
 with sigma of 0.02
 O5A-N2A \\sim O5-N2
 with sigma of 0.02
 Cl2A-C6A \\sim Cl2-C6
 with sigma of 0.02
 O1-C1A \\sim O1-C1
 with sigma of 0.02
 Cl1A-C2A \\sim Cl1-C2
 with sigma of 0.02
 N1A-C4A \\sim N1-C4
 with sigma of 0.02
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4. Others
 Sof(C7A)=Sof(C8A)=Sof(C9A)=Sof(H9A)=Sof(C10A)=Sof(C11A)=Sof(H11A)=Sof(C12A)=
 Sof(Cl3A)=Sof(Cl4A)=Sof(O6A)=Sof(N2A)=Sof(O5A)=1-FVAR(1)
 Sof(Cl3)=Sof(Cl4)=Sof(O5)=Sof(O6)=Sof(N2)=Sof(C7)=Sof(C8)=Sof(C9)=Sof(H9)=
 Sof(C10)=Sof(C11)=Sof(H11)=Sof(C12)=FVAR(1)
 Sof(Cl1A)=Sof(Cl2A)=Sof(O2A)=Sof(O3A)=Sof(N1A)=Sof(C1A)=Sof(C2A)=Sof(C3A)=
 Sof(H3A)=Sof(C4A)=Sof(C5A)=Sof(H5A)=Sof(C6A)=1-FVAR(2)
 Sof(Cl1)=Sof(Cl2)=Sof(O2)=Sof(O3)=Sof(N1)=Sof(C1)=Sof(C2)=Sof(C3)=Sof(H3)=
 Sof(C4)=Sof(C5)=Sof(H5)=Sof(C6)=FVAR(2)
5.a Secondary CH2 refined with riding coordinates:
 C25(H25A,H25B), C26(H26A,H26B)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C9(H9), C11(H11), C15(H15), C17(H17), C19(H19), C20(H20),
 C22(H22), C24(H24), C27(H27), C29(H29), C31(H31), C32(H32), C9A(H9A),
 C11A(H11A), C3A(H3A), C5A(H5A)
5.c Fitted hexagon refined as free rotating group:
 C1(C2,C3,C4,C5,C6), C7(C8,C9,C10,C11,C12), C7A(C8A,C9A,C10A,C11A,C12A),
 C1A(C2A,C3A,C4A,C5A,C6A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.35249(3) 0.28820(2) 0.41476(2) 0.04269(10) Uani 1 1 d . U . . .
Cl1 Cl 0.4970(6) 0.1749(8) 0.5862(5) 0.121(3) Uani 0.76(2) 1 d D U P A 1
Cl2 Cl 0.6968(7) 0.3686(4) 0.4223(3) 0.0628(15) Uani 0.76(2) 1 d D U P A 1
Cl3 Cl 0.6558(16) 0.1615(14) 0.3733(9) 0.101(4) Uani 0.42(2) 1 d D U P B 1
Cl4 Cl 0.2591(13) 0.1781(11) 0.2348(9) 0.103(4) Uani 0.42(2) 1 d D U P B 1
Cl5 Cl 0.20261(18) 0.42463(14) 0.25173(11) 0.0780(6) Uani 1 1 d . U . . .
Cl6 Cl 0.00819(18) 0.22223(16) 0.41157(12) 0.0863(7) Uani 1 1 d . U . . .
Cl7 Cl 0.1258(3) -0.07286(17) 0.51794(18) 0.1332(13) Uani 1 1 d . U . . .
Cl8 Cl 0.5699(3) 0.61990(17) 0.26006(17) 0.1219(11) Uani 1 1 d . U . . .
O1 O 0.5071(4) 0.2917(3) 0.4791(2) 0.0600(12) Uani 1 1 d D U . . .
O2 O 0.9205(10) 0.1663(11) 0.6518(6) 0.126(5) Uani 0.76(2) 1 d . U P A 1
O3 O 0.9992(8) 0.2515(11) 0.5925(7) 0.106(4) Uani 0.76(2) 1 d . U P A 1
O4 O 0.4196(4) 0.2147(3) 0.3397(2) 0.0635(13) Uani 1 1 d D U . . .
O5 O 0.682(2) 0.0020(10) 0.1581(11) 0.084(6) Uani 0.42(2) 1 d D U P B 1
O6 O 0.522(3) 0.0054(14) 0.1010(10) 0.110(8) Uani 0.42(2) 1 d D U P B 1
O7 O 0.1910(4) 0.3127(3) 0.3624(2) 0.0565(12) Uani 1 1 d . U . . .
O8 O -0.2230(6) 0.4147(6) 0.1810(4) 0.132(3) Uani 1 1 d . U . . .
O9 O -0.2936(6) 0.3198(6) 0.2324(4) 0.129(3) Uani 1 1 d . U . . .
N1 N 0.9161(9) 0.2169(12) 0.6095(6) 0.084(4) Uani 0.76(2) 1 d D U P A 1
N2 N 0.586(3) 0.0229(13) 0.1503(11) 0.081(6) Uani 0.42(2) 1 d D U P B 1
N3 N -0.2159(6) 0.3619(6) 0.2220(4) 0.091(2) Uani 1 1 d . U . . .
N4 N 0.2819(5) 0.1527(3) 0.4510(3) 0.0579(14) Uani 1 1 d . U . . .
N5 N 0.2666(4) 0.2865(4) 0.5216(3) 0.0503(12) Uani 1 1 d . U . . .
N6 N 0.3109(5) 0.4223(3) 0.4592(3) 0.0593(15) Uani 1 1 d . U . . .
N7 N 0.4312(4) 0.4045(3) 0.3544(3) 0.0500(12) Uani 1 1 d . U . . .
C1 C 0.6074(5) 0.2720(9) 0.5093(5) 0.050(3) Uani 0.76(2) 1 d D U P A 1
C2 C 0.6133(5) 0.2217(8) 0.5620(5) 0.064(3) Uani 0.76(2) 1 d DG U P A 1
C3 C 0.7145(7) 0.2048(8) 0.5950(4) 0.067(3) Uani 0.76(2) 1 d G U P A 1
H3 H 0.718481 0.171064 0.630268 0.080 Uiso 0.76(2) 1 calc R . P A 1
C4 C 0.8098(5) 0.2382(8) 0.5754(5) 0.058(3) Uani 0.76(2) 1 d DG U P A 1
C5 C 0.8040(5) 0.2885(7) 0.5227(5) 0.053(3) Uani 0.76(2) 1 d G U P A 1
H5 H 0.867722 0.310918 0.509520 0.063 Uiso 0.76(2) 1 calc R . P A 1
C6 C 0.7027(6) 0.3055(7) 0.4897(4) 0.045(2) Uani 0.76(2) 1 d DG U P A 1
C7 C 0.4658(14) 0.1692(13) 0.2950(9) 0.050(5) Uani 0.42(2) 1 d D U P B 1
C8 C 0.5732(14) 0.1412(13) 0.3023(9) 0.056(5) Uani 0.42(2) 1 d DG U P B 1
C9 C 0.6116(14) 0.0928(12) 0.2555(10) 0.063(5) Uani 0.42(2) 1 d G U P B 1
H9 H 0.683382 0.074032 0.260439 0.076 Uiso 0.42(2) 1 calc R . P B 1
C10 C 0.5426(19) 0.0723(12) 0.2015(9) 0.063(5) Uani 0.42(2) 1 d DG U P B 1
C11 C 0.4353(18) 0.1003(11) 0.1942(7) 0.067(6) Uani 0.42(2) 1 d G U P B 1
H11 H 0.389152 0.086588 0.158007 0.080 Uiso 0.42(2) 1 calc R . P B 1
C12 C 0.3969(14) 0.1487(12) 0.2409(9) 0.057(5) Uani 0.42(2) 1 d DG U P B 1
C13 C 0.0970(5) 0.3249(4) 0.3302(3) 0.0456(13) Uani 1 1 d . U . . .
C14 C 0.0847(6) 0.3770(4) 0.2751(3) 0.0525(15) Uani 1 1 d . U . . .
C15 C -0.0158(6) 0.3904(5) 0.2405(4) 0.0629(17) Uani 1 1 d . U . . .
H15 H -0.021668 0.425255 0.206049 0.075 Uiso 1 1 calc R . . . .
C16 C -0.1089(6) 0.3501(5) 0.2585(4) 0.0613(17) Uani 1 1 d . U . . .
C17 C -0.1024(5) 0.2983(5) 0.3107(3) 0.0566(16) Uani 1 1 d . U . . .
H17 H -0.164806 0.272232 0.322029 0.068 Uiso 1 1 calc R . . . .
C18 C -0.0019(5) 0.2865(4) 0.3452(3) 0.0503(14) Uani 1 1 d . U . . .
C19 C 0.2819(9) 0.0866(5) 0.4155(5) 0.088(3) Uani 1 1 d . U . . .
H19 H 0.315576 0.087826 0.377243 0.106 Uiso 1 1 calc R . . . .
C20 C 0.2326(10) 0.0147(5) 0.4338(5) 0.108(4) Uani 1 1 d . U . . .
H20 H 0.232242 -0.029688 0.407716 0.129 Uiso 1 1 calc R . . . .
C21 C 0.1857(9) 0.0134(5) 0.4914(5) 0.087(3) Uani 1 1 d . U . . .
C22 C 0.1840(7) 0.0805(5) 0.5293(4) 0.070(2) Uani 1 1 d . U . . .
H22 H 0.152104 0.079700 0.568122 0.084 Uiso 1 1 calc R . . . .
C23 C 0.2317(5) 0.1496(4) 0.5074(3) 0.0509(14) Uani 1 1 d . U . . .
C24 C 0.2299(6) 0.2239(4) 0.5445(4) 0.0554(16) Uani 1 1 d . U . . .
H24 H 0.201753 0.224463 0.584424 0.066 Uiso 1 1 calc R . . . .
C25 C 0.2641(8) 0.3590(5) 0.5587(4) 0.075(2) Uani 1 1 d . U . . .
H25A H 0.334951 0.367695 0.582561 0.090 Uiso 1 1 calc R . . . .
H25B H 0.208834 0.355279 0.589144 0.090 Uiso 1 1 calc R . . . .
C26 C 0.2376(8) 0.4264(5) 0.5131(4) 0.081(3) Uani 1 1 d . U . . .
H26A H 0.161167 0.423447 0.495998 0.097 Uiso 1 1 calc R . . . .
H26B H 0.248744 0.475927 0.535846 0.097 Uiso 1 1 calc R . . . .
C27 C 0.3488(7) 0.4834(5) 0.4339(4) 0.067(2) Uani 1 1 d . U . . .
H27 H 0.333767 0.532398 0.450854 0.081 Uiso 1 1 calc R . . . .
C28 C 0.4164(6) 0.4793(4) 0.3781(4) 0.0545(16) Uani 1 1 d . U . . .
C29 C 0.4565(7) 0.5453(5) 0.3501(4) 0.071(2) Uani 1 1 d . U . . .
H29 H 0.444450 0.594872 0.366967 0.086 Uiso 1 1 calc R . . . .
C30 C 0.5154(7) 0.5372(5) 0.2964(4) 0.072(2) Uani 1 1 d . U . . .
C31 C 0.5310(7) 0.4624(5) 0.2706(4) 0.072(2) Uani 1 1 d . U . . .
H31 H 0.568770 0.455830 0.234260 0.087 Uiso 1 1 calc R . . . .
C32 C 0.4880(6) 0.3982(5) 0.3013(4) 0.0642(19) Uani 1 1 d . U . . .
H32 H 0.498643 0.348304 0.284680 0.077 Uiso 1 1 calc R . . . .
C7A C 0.4375(11) 0.1674(9) 0.2881(5) 0.044(3) Uani 0.58(2) 1 d D U P B 2
C8A C 0.5448(10) 0.1410(9) 0.2858(6) 0.061(4) Uani 0.58(2) 1 d DG U P B 2
C9A C 0.5723(11) 0.0958(9) 0.2341(7) 0.066(4) Uani 0.58(2) 1 d G U P B 2
H9A H 0.644120 0.078220 0.232504 0.079 Uiso 0.58(2) 1 calc R . P B 2
C10A C 0.4925(13) 0.0770(9) 0.1847(6) 0.063(4) Uani 0.58(2) 1 d DG U P B 2
C11A C 0.3852(13) 0.1033(8) 0.1871(5) 0.061(4) Uani 0.58(2) 1 d G U P B 2
H11A H 0.331827 0.090727 0.154098 0.073 Uiso 0.58(2) 1 calc R . P B 2
C12A C 0.3577(11) 0.1485(8) 0.2388(6) 0.054(3) Uani 0.58(2) 1 d DG U P B 2
Cl3A Cl 0.6459(11) 0.1596(11) 0.3485(8) 0.109(3) Uani 0.58(2) 1 d D U P B 2
Cl4A Cl 0.2227(9) 0.1808(7) 0.2433(5) 0.083(2) Uani 0.58(2) 1 d D U P B 2
O6A O 0.441(2) 0.0137(11) 0.0866(8) 0.127(7) Uani 0.58(2) 1 d D U P B 2
N2A N 0.518(2) 0.0286(10) 0.1290(10) 0.086(5) Uani 0.58(2) 1 d D U P B 2
O5A O 0.609(2) -0.0001(9) 0.1271(11) 0.104(6) Uani 0.58(2) 1 d D U P B 2
Cl1A Cl 0.519(2) 0.2074(19) 0.6026(13) 0.114(7) Uani 0.24(2) 1 d D U P A 2
Cl2A Cl 0.676(3) 0.382(2) 0.4140(14) 0.116(11) Uani 0.24(2) 1 d D U P A 2
O2A O 0.962(4) 0.205(3) 0.633(3) 0.123(15) Uani 0.24(2) 1 d . U P A 2
O3A O 1.012(2) 0.295(3) 0.574(2) 0.084(10) Uani 0.24(2) 1 d . U P A 2
N1A N 0.937(2) 0.254(3) 0.589(2) 0.080(9) Uani 0.24(2) 1 d D U P A 2
C1A C 0.6071(15) 0.288(3) 0.5123(18) 0.045(6) Uani 0.24(2) 1 d D U P A 2
C2A C 0.630(2) 0.241(3) 0.5660(17) 0.078(12) Uani 0.24(2) 1 d DG U P A 2
C3A C 0.739(2) 0.230(2) 0.5914(16) 0.076(11) Uani 0.24(2) 1 d G U P A 2
H3A H 0.754038 0.198694 0.627343 0.091 Uiso 0.24(2) 1 calc R . P A 2
C4A C 0.8235(15) 0.267(2) 0.563(2) 0.067(8) Uani 0.24(2) 1 d DG U P A 2
C5A C 0.8002(18) 0.315(2) 0.509(2) 0.059(7) Uani 0.24(2) 1 d G U P A 2
H5A H 0.857090 0.339706 0.490357 0.071 Uiso 0.24(2) 1 calc R . P A 2
C6A C 0.692(2) 0.325(2) 0.4840(16) 0.060(9) Uani 0.24(2) 1 d DG U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.218(5) . ?
Dy1 O4 2.218(5) . ?
Dy1 O7 2.206(5) . ?
Dy1 N4 2.596(6) . ?
Dy1 N5 2.548(6) . ?
Dy1 N6 2.529(6) . ?
Dy1 N7 2.577(6) . ?
Cl1 C2 1.741(7) . ?
Cl2 C6 1.765(7) . ?
Cl3 C8 1.751(12) . ?
Cl4 C12 1.749(12) . ?
Cl5 C14 1.758(8) . ?
Cl6 C18 1.760(8) . ?
Cl7 C21 1.751(9) . ?
Cl8 C30 1.757(8) . ?
O1 C1 1.368(7) . ?
O1 C1A 1.350(15) . ?
O2 N1 1.231(17) . ?
O3 N1 1.251(17) . ?
O4 C7 1.371(10) . ?
O4 C7A 1.376(8) . ?
O5 N2 1.22(3) . ?
O6 N2 1.27(3) . ?
O7 C13 1.295(7) . ?
O8 N3 1.238(11) . ?
O9 N3 1.223(11) . ?
N1 C4 1.468(10) . ?
N2 C10 1.492(15) . ?
N3 C16 1.467(10) . ?
N4 C19 1.346(10) . ?
N4 C23 1.375(9) . ?
N5 C24 1.265(9) . ?
N5 C25 1.458(9) . ?
N6 C26 1.502(9) . ?
N6 C27 1.271(9) . ?
N7 C28 1.382(9) . ?
N7 C32 1.364(9) . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 C3 1.3900 . ?
C3 H3 0.9300 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C6 1.3900 . ?
C7 C8 1.3900 . ?
C7 C12 1.3900 . ?
C8 C9 1.3900 . ?
C9 H9 0.9300 . ?
C9 C10 1.3900 . ?
C10 C11 1.3900 . ?
C11 H11 0.9300 . ?
C11 C12 1.3900 . ?
C13 C14 1.449(10) . ?
C13 C18 1.431(9) . ?
C14 C15 1.385(10) . ?
C15 H15 0.9300 . ?
C15 C16 1.406(11) . ?
C16 C17 1.397(11) . ?
C17 H17 0.9300 . ?
C17 C18 1.381(9) . ?
C19 H19 0.9300 . ?
C19 C20 1.431(12) . ?
C20 H20 0.9300 . ?
C20 C21 1.377(13) . ?
C21 C22 1.389(13) . ?
C22 H22 0.9300 . ?
C22 C23 1.406(10) . ?
C23 C24 1.481(10) . ?
C24 H24 0.9300 . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.505(12) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 H27 0.9300 . ?
C27 C28 1.487(10) . ?
C28 C29 1.375(10) . ?
C29 H29 0.9300 . ?
C29 C30 1.393(12) . ?
C30 C31 1.400(12) . ?
C31 H31 0.9300 . ?
C31 C32 1.391(10) . ?
C32 H32 0.9300 . ?
C7A C8A 1.3900 . ?
C7A C12A 1.3900 . ?
C8A C9A 1.3900 . ?
C8A Cl3A 1.745(11) . ?
C9A H9A 0.9300 . ?
C9A C10A 1.3900 . ?
C10A C11A 1.3900 . ?
C10A N2A 1.479(12) . ?
C11A H11A 0.9300 . ?
C11A C12A 1.3900 . ?
C12A Cl4A 1.748(9) . ?
O6A N2A 1.25(3) . ?
N2A O5A 1.22(3) . ?
Cl1A C2A 1.720(17) . ?
Cl2A C6A 1.749(17) . ?
O2A N1A 1.26(6) . ?
O3A N1A 1.21(5) . ?
N1A C4A 1.456(19) . ?
C1A C2A 1.3900 . ?
C1A C6A 1.3900 . ?
C2A C3A 1.3900 . ?
C3A H3A 0.9300 . ?
C3A C4A 1.3900 . ?
C4A C5A 1.3900 . ?
C5A H5A 0.9300 . ?
C5A C6A 1.3900 . ?

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 O4 95.4(2) . . ?
O1 Dy1 N4 97.7(2) . . ?
O1 Dy1 N5 82.25(19) . . ?
O1 Dy1 N6 86.7(2) . . ?
O1 Dy1 N7 86.62(19) . . ?
O4 Dy1 N4 81.9(2) . . ?
O4 Dy1 N5 145.0(2) . . ?
O4 Dy1 N6 150.0(2) . . ?
O4 Dy1 N7 84.8(2) . . ?
O7 Dy1 O1 165.80(19) . . ?
O7 Dy1 O4 97.3(2) . . ?
O7 Dy1 N4 90.3(2) . . ?
O7 Dy1 N5 90.9(2) . . ?
O7 Dy1 N6 79.1(2) . . ?
O7 Dy1 N7 88.24(19) . . ?
N5 Dy1 N4 64.0(2) . . ?
N5 Dy1 N7 129.6(2) . . ?
N6 Dy1 N4 127.6(2) . . ?
N6 Dy1 N5 65.0(2) . . ?
N6 Dy1 N7 65.4(2) . . ?
N7 Dy1 N4 166.37(19) . . ?
C1 O1 Dy1 162.0(8) . . ?
C1A O1 Dy1 173(2) . . ?
C7 O4 Dy1 177.3(9) . . ?
C7A O4 Dy1 167.4(7) . . ?
C13 O7 Dy1 177.8(5) . . ?
O2 N1 O3 123.2(12) . . ?
O2 N1 C4 120.0(12) . . ?
O3 N1 C4 116.8(13) . . ?
O5 N2 O6 124(2) . . ?
O5 N2 C10 117.8(19) . . ?
O6 N2 C10 119(3) . . ?
O8 N3 C16 117.5(9) . . ?
O9 N3 O8 122.7(9) . . ?
O9 N3 C16 119.8(10) . . ?
C19 N4 Dy1 124.3(5) . . ?
C19 N4 C23 117.5(7) . . ?
C23 N4 Dy1 117.9(5) . . ?
C24 N5 Dy1 121.8(5) . . ?
C24 N5 C25 119.1(6) . . ?
C25 N5 Dy1 119.0(4) . . ?
C26 N6 Dy1 118.0(5) . . ?
C27 N6 Dy1 119.5(5) . . ?
C27 N6 C26 122.5(7) . . ?
C28 N7 Dy1 117.7(4) . . ?
C32 N7 Dy1 125.2(5) . . ?
C32 N7 C28 117.1(6) . . ?
O1 C1 C2 119.7(6) . . ?
O1 C1 C6 120.2(6) . . ?
C2 C1 C6 120.0 . . ?
C1 C2 Cl1 121.6(5) . . ?
C1 C2 C3 120.0 . . ?
C3 C2 Cl1 118.3(5) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 N1 118.9(7) . . ?
C5 C4 N1 121.1(7) . . ?
C5 C4 C3 120.0 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C1 C6 Cl2 120.5(5) . . ?
C5 C6 Cl2 119.4(5) . . ?
C5 C6 C1 120.0 . . ?
O4 C7 C8 124.1(11) . . ?
O4 C7 C12 115.9(11) . . ?
C8 C7 C12 120.0 . . ?
C7 C8 Cl3 119.5(10) . . ?
C7 C8 C9 120.0 . . ?
C9 C8 Cl3 120.4(11) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C9 C10 N2 119.6(14) . . ?
C9 C10 C11 120.0 . . ?
C11 C10 N2 120.3(14) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C7 C12 Cl4 119.8(10) . . ?
C11 C12 Cl4 120.0(10) . . ?
C11 C12 C7 120.0 . . ?
O7 C13 C14 122.3(6) . . ?
O7 C13 C18 122.7(7) . . ?
C18 C13 C14 115.0(6) . . ?
C13 C14 Cl5 118.2(5) . . ?
C15 C14 Cl5 119.4(6) . . ?
C15 C14 C13 122.5(7) . . ?
C14 C15 H15 120.6 . . ?
C14 C15 C16 118.7(8) . . ?
C16 C15 H15 120.6 . . ?
C15 C16 N3 119.9(8) . . ?
C17 C16 N3 118.5(8) . . ?
C17 C16 C15 121.6(7) . . ?
C16 C17 H17 120.6 . . ?
C18 C17 C16 118.9(7) . . ?
C18 C17 H17 120.6 . . ?
C13 C18 Cl6 117.0(5) . . ?
C17 C18 Cl6 119.8(6) . . ?
C17 C18 C13 123.2(7) . . ?
N4 C19 H19 118.5 . . ?
N4 C19 C20 123.1(9) . . ?
C20 C19 H19 118.5 . . ?
C19 C20 H20 121.2 . . ?
C21 C20 C19 117.7(9) . . ?
C21 C20 H20 121.2 . . ?
C20 C21 Cl7 120.5(8) . . ?
C20 C21 C22 120.8(8) . . ?
C22 C21 Cl7 118.7(8) . . ?
C21 C22 H22 120.9 . . ?
C21 C22 C23 118.3(8) . . ?
C23 C22 H22 120.9 . . ?
N4 C23 C22 122.6(7) . . ?
N4 C23 C24 116.3(6) . . ?
C22 C23 C24 121.1(7) . . ?
N5 C24 C23 119.9(6) . . ?
N5 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
N5 C25 H25A 109.9 . . ?
N5 C25 H25B 109.9 . . ?
N5 C25 C26 108.8(7) . . ?
H25A C25 H25B 108.3 . . ?
C26 C25 H25A 109.9 . . ?
C26 C25 H25B 109.9 . . ?
N6 C26 C25 109.2(7) . . ?
N6 C26 H26A 109.8 . . ?
N6 C26 H26B 109.8 . . ?
C25 C26 H26A 109.8 . . ?
C25 C26 H26B 109.8 . . ?
H26A C26 H26B 108.3 . . ?
N6 C27 H27 118.8 . . ?
N6 C27 C28 122.3(7) . . ?
C28 C27 H27 118.8 . . ?
N7 C28 C27 115.0(6) . . ?
C29 C28 N7 122.4(7) . . ?
C29 C28 C27 122.6(7) . . ?
C28 C29 H29 120.3 . . ?
C28 C29 C30 119.4(8) . . ?
C30 C29 H29 120.3 . . ?
C29 C30 Cl8 120.7(7) . . ?
C29 C30 C31 119.8(8) . . ?
C31 C30 Cl8 119.5(7) . . ?
C30 C31 H31 121.1 . . ?
C32 C31 C30 117.8(8) . . ?
C32 C31 H31 121.1 . . ?
N7 C32 C31 123.5(8) . . ?
N7 C32 H32 118.2 . . ?
C31 C32 H32 118.2 . . ?
O4 C7A C8A 115.6(8) . . ?
O4 C7A C12A 124.3(8) . . ?
C8A C7A C12A 120.0 . . ?
C7A C8A Cl3A 121.4(7) . . ?
C9A C8A C7A 120.0 . . ?
C9A C8A Cl3A 118.5(7) . . ?
C8A C9A H9A 120.0 . . ?
C10A C9A C8A 120.0 . . ?
C10A C9A H9A 120.0 . . ?
C9A C10A C11A 120.0 . . ?
C9A C10A N2A 121.9(11) . . ?
C11A C10A N2A 118.1(11) . . ?
C10A C11A H11A 120.0 . . ?
C10A C11A C12A 120.0 . . ?
C12A C11A H11A 120.0 . . ?
C7A C12A Cl4A 119.3(7) . . ?
C11A C12A C7A 120.0 . . ?
C11A C12A Cl4A 120.7(7) . . ?
O6A N2A C10A 118.2(16) . . ?
O5A N2A C10A 120(2) . . ?
O5A N2A O6A 121.3(17) . . ?
O2A N1A C4A 122(4) . . ?
O3A N1A O2A 115(3) . . ?
O3A N1A C4A 122(4) . . ?
O1 C1A C2A 123(2) . . ?
O1 C1A C6A 116(2) . . ?
C2A C1A C6A 120.0 . . ?
C1A C2A Cl1A 116(2) . . ?
C1A C2A C3A 120.0 . . ?
C3A C2A Cl1A 124(2) . . ?
C2A C3A H3A 120.0 . . ?
C4A C3A C2A 120.0 . . ?
C4A C3A H3A 120.0 . . ?
C3A C4A N1A 120(3) . . ?
C3A C4A C5A 120.0 . . ?
C5A C4A N1A 120(3) . . ?
C4A C5A H5A 120.0 . . ?
C6A C5A C4A 120.0 . . ?
C6A C5A H5A 120.0 . . ?
C1A C6A Cl2A 125(2) . . ?
C5A C6A Cl2A 115(2) . . ?
C5A C6A C1A 120.0 . . ?

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 C1 C2 -84.1(17) . . . . ?
Dy1 O1 C1 C6 99.3(17) . . . . ?
Dy1 O4 C7A C8A -172(3) . . . . ?
Dy1 O4 C7A C12A 11(4) . . . . ?
Dy1 N4 C19 C20 -173.6(8) . . . . ?
Dy1 N4 C23 C22 175.6(6) . . . . ?
Dy1 N4 C23 C24 -4.1(8) . . . . ?
Dy1 N5 C24 C23 -2.7(9) . . . . ?
Dy1 N5 C25 C26 39.9(9) . . . . ?
Dy1 N6 C26 C25 39.0(9) . . . . ?
Dy1 N6 C27 C28 0.7(11) . . . . ?
Dy1 N7 C28 C27 -4.2(8) . . . . ?
Dy1 N7 C28 C29 179.0(6) . . . . ?
Dy1 N7 C32 C31 -178.8(6) . . . . ?
Cl1 C2 C3 C4 177.1(10) . . . . ?
Cl3 C8 C9 C10 175.3(16) . . . . ?
Cl5 C14 C15 C16 178.2(6) . . . . ?
Cl7 C21 C22 C23 -179.7(6) . . . . ?
Cl8 C30 C31 C32 179.1(6) . . . . ?
O1 C1 C2 Cl1 6.4(11) . . . . ?
O1 C1 C2 C3 -176.6(13) . . . . ?
O1 C1 C6 Cl2 -4.2(10) . . . . ?
O1 C1 C6 C5 176.6(13) . . . . ?
O1 C1A C2A Cl1A -18(3) . . . . ?
O1 C1A C2A C3A 169(4) . . . . ?
O1 C1A C6A Cl2A 6(4) . . . . ?
O1 C1A C6A C5A -170(4) . . . . ?
O2 N1 C4 C3 4.8(17) . . . . ?
O2 N1 C4 C5 -172.8(11) . . . . ?
O3 N1 C4 C3 -176.3(11) . . . . ?
O3 N1 C4 C5 6.1(17) . . . . ?
O4 C7 C8 Cl3 2.0(19) . . . . ?
O4 C7 C8 C9 177(2) . . . . ?
O4 C7 C12 Cl4 -2.2(17) . . . . ?
O4 C7 C12 C11 -178(2) . . . . ?
O4 C7A C8A C9A -177.1(13) . . . . ?
O4 C7A C8A Cl3A 5.9(12) . . . . ?
O4 C7A C12A C11A 176.8(14) . . . . ?
O4 C7A C12A Cl4A -4.3(13) . . . . ?
O5 N2 C10 C9 0(3) . . . . ?
O5 N2 C10 C11 177.7(15) . . . . ?
O6 N2 C10 C9 -179.4(19) . . . . ?
O6 N2 C10 C11 -2(3) . . . . ?
O7 C13 C14 Cl5 0.2(9) . . . . ?
O7 C13 C14 C15 -179.8(7) . . . . ?
O7 C13 C18 Cl6 1.3(9) . . . . ?
O7 C13 C18 C17 -179.2(6) . . . . ?
O8 N3 C16 C15 -8.7(12) . . . . ?
O8 N3 C16 C17 171.6(8) . . . . ?
O9 N3 C16 C15 170.8(9) . . . . ?
O9 N3 C16 C17 -8.9(12) . . . . ?
N1 C4 C5 C6 177.6(12) . . . . ?
N2 C10 C11 C12 -178(2) . . . . ?
N3 C16 C17 C18 179.6(7) . . . . ?
N4 C19 C20 C21 -1.7(18) . . . . ?
N4 C23 C24 N5 4.6(10) . . . . ?
N5 C25 C26 N6 -49.1(9) . . . . ?
N6 C27 C28 N7 2.4(12) . . . . ?
N6 C27 C28 C29 179.2(8) . . . . ?
N7 C28 C29 C30 -0.8(13) . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C2 C1 C6 Cl2 179.3(9) . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
C2 C3 C4 N1 -177.6(12) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 Cl2 -179.3(9) . . . . ?
C4 C5 C6 C1 0.0 . . . . ?
C6 C1 C2 Cl1 -177.0(10) . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C8 C7 C12 Cl4 175.3(15) . . . . ?
C8 C7 C12 C11 0.0 . . . . ?
C8 C9 C10 N2 178(2) . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 Cl4 -175.3(15) . . . . ?
C10 C11 C12 C7 0.0 . . . . ?
C12 C7 C8 Cl3 -175.3(16) . . . . ?
C12 C7 C8 C9 0.0 . . . . ?
C13 C14 C15 C16 -1.8(11) . . . . ?
C14 C13 C18 Cl6 179.8(5) . . . . ?
C14 C13 C18 C17 -0.7(10) . . . . ?
C14 C15 C16 N3 -178.7(7) . . . . ?
C14 C15 C16 C17 1.0(11) . . . . ?
C15 C16 C17 C18 -0.1(11) . . . . ?
C16 C17 C18 Cl6 179.4(5) . . . . ?
C16 C17 C18 C13 0.0(11) . . . . ?
C18 C13 C14 Cl5 -178.3(5) . . . . ?
C18 C13 C14 C15 1.6(10) . . . . ?
C19 N4 C23 C22 1.6(11) . . . . ?
C19 N4 C23 C24 -178.1(8) . . . . ?
C19 C20 C21 Cl7 -178.9(9) . . . . ?
C19 C20 C21 C22 1.7(17) . . . . ?
C20 C21 C22 C23 -0.2(15) . . . . ?
C21 C22 C23 N4 -1.5(12) . . . . ?
C21 C22 C23 C24 178.2(8) . . . . ?
C22 C23 C24 N5 -175.1(7) . . . . ?
C23 N4 C19 C20 0.0(15) . . . . ?
C24 N5 C25 C26 -142.7(7) . . . . ?
C25 N5 C24 C23 180.0(7) . . . . ?
C26 N6 C27 C28 -176.6(8) . . . . ?
C27 N6 C26 C25 -143.6(8) . . . . ?
C27 C28 C29 C30 -177.3(8) . . . . ?
C28 N7 C32 C31 0.1(11) . . . . ?
C28 C29 C30 Cl8 -179.0(6) . . . . ?
C28 C29 C30 C31 1.4(13) . . . . ?
C29 C30 C31 C32 -1.3(13) . . . . ?
C30 C31 C32 N7 0.6(13) . . . . ?
C32 N7 C28 C27 176.8(7) . . . . ?
C32 N7 C28 C29 0.0(11) . . . . ?
C7A C8A C9A C10A 0.0 . . . . ?
C8A C7A C12A C11A 0.0 . . . . ?
C8A C7A C12A Cl4A 178.9(10) . . . . ?
C8A C9A C10A C11A 0.0 . . . . ?
C8A C9A C10A N2A -179.6(15) . . . . ?
C9A C10A C11A C12A 0.0 . . . . ?
C9A C10A N2A O6A 179.6(13) . . . . ?
C9A C10A N2A O5A 4(2) . . . . ?
C10A C11A C12A C7A 0.0 . . . . ?
C10A C11A C12A Cl4A -178.9(10) . . . . ?
C11A C10A N2A O6A 0(2) . . . . ?
C11A C10A N2A O5A -175.1(14) . . . . ?
C12A C7A C8A C9A 0.0 . . . . ?
C12A C7A C8A Cl3A -177.0(12) . . . . ?
Cl3A C8A C9A C10A 177.1(11) . . . . ?
N2A C10A C11A C12A 179.6(15) . . . . ?
Cl1A C2A C3A C4A -172(4) . . . . ?
O2A N1A C4A C3A 6(6) . . . . ?
O2A N1A C4A C5A -172(4) . . . . ?
O3A N1A C4A C3A -167(3) . . . . ?
O3A N1A C4A C5A 15(5) . . . . ?
N1A C4A C5A C6A 178(4) . . . . ?
C1A C2A C3A C4A 0.0 . . . . ?
C2A C1A C6A Cl2A 176(3) . . . . ?
C2A C1A C6A C5A 0.0 . . . . ?
C2A C3A C4A N1A -178(4) . . . . ?
C2A C3A C4A C5A 0.0 . . . . ?
C3A C4A C5A C6A 0.0 . . . . ?
C4A C5A C6A Cl2A -177(3) . . . . ?
C4A C5A C6A C1A 0.0 . . . . ?
C6A C1A C2A Cl1A 173(3) . . . . ?
C6A C1A C2A C3A 0.0 . . . . ?

_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_xj44
_database_code_depnum_ccdc_archive 'CCDC 2102605'
loop_
_audit_author_name
_audit_author_address
VB
;NingXia University
China
;
_audit_update_record             
;
2022-01-14 deposited with the CCDC.	2022-04-04 downloaded from the CCDC.
;
_audit_creation_date             2020-11-27
_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         'C32 H18 Cl8 Dy N7 O9, 0.5(C2 H3 N)'
_chemical_formula_sum            'C33 H19.50 Cl8 Dy N7.50 O9'
_chemical_formula_weight         1111.16
_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'
Cl Cl 0.1484 0.1585 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.511(2)
_cell_length_b                   13.220(3)
_cell_length_c                   15.127(3)
_cell_angle_alpha                81.914(7)
_cell_angle_beta                 68.257(6)
_cell_angle_gamma                72.685(6)
_cell_volume                     2040.2(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9242
_cell_measurement_temperature    296.0
_cell_measurement_theta_max      27.38
_cell_measurement_theta_min      2.89
_shelx_estimated_absorpt_T_max   0.794
_shelx_estimated_absorpt_T_min   0.760
_exptl_absorpt_coefficient_mu    2.417
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.809
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_unetI/netI     0.0205
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            70045
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.450
_diffrn_reflns_theta_min         2.182
_diffrn_ambient_temperature      296.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8504
_reflns_number_total             9194
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.808
_refine_diff_density_min         -0.563
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     617
_refine_ls_number_reflns         9194
_refine_ls_number_restraints     555
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0256
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0244P)²+2.1123P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0594
_refine_ls_wR_factor_ref         0.0619
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C33-N8
 1.137 with sigma of 0.01
 C33-C34
 1.456 with sigma of 0.01
 C34-N8
 2.593 with sigma of 0.02
 N7-C30 \\sim N7A-C30A
 with sigma of 0.02
 O7-C27 \\sim O7-C27A
 with sigma of 0.02
 O7-C27A \\sim O7-C27
 with sigma of 0.02
 Cl8A-C32A \\sim Cl8-C32
 with sigma of 0.02
 Cl7-C28 \\sim Cl7A-C28A
 with sigma of 0.02
 O8A-N7A \\sim O8-N7
 with sigma of 0.02
 O9A-N7A \\sim O9-N7
 with sigma of 0.02
 O9-O8 \\sim O9A-O8A
 with sigma of 0.02
 O9-C30 \\sim O9A-C30A
 with sigma of 0.02
 O8-C30 \\sim O8A-C30A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Cl7 \\sim Cl8 \\sim O8 \\sim O9 \\sim N7 \\sim C27 \\sim C28 \\sim C29 \\sim
C30 \\sim C31 \\sim C32 \\sim C27A \\sim C32A \\sim C31A \\sim C30A \\sim C29A
\\sim C28A \\sim Cl7A \\sim N7A \\sim O8A \\sim O9A \\sim Cl8A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
N8 \\sim C33 \\sim C34: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08
C33 \\sim N8 \\sim C34: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C27A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N8) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C34) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 O7, C27, C28, C29, C30, C31, C32, Cl8, N7, O8, O9, Cl7
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C27A, C32A, C31A, C30A, C29A, C28A, Cl7A, N7A, O8A, O9A, Cl8A, O7
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 N8, C33, C34
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C33, N8, C34
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
5. Others
 Sof(C27A)=Sof(C32A)=Sof(C31A)=Sof(H31A)=Sof(C30A)=Sof(C29A)=Sof(H29A)=
 Sof(C28A)=Sof(Cl7A)=Sof(N7A)=Sof(O8A)=Sof(O9A)=Sof(Cl8A)=1-FVAR(1)
 Sof(Cl7)=Sof(Cl8)=Sof(O8)=Sof(O9)=Sof(N7)=Sof(C27)=Sof(C28)=Sof(C29)=Sof(H29)=
 Sof(C30)=Sof(C31)=Sof(H31)=Sof(C32)=FVAR(1)
 Fixed Sof: N8(0.5) C33(0.5) C34(0.5) H34A(0.5) H34B(0.5) H34C(0.5)
6.a Riding coordinates:
 C34(H34A,H34B,H34C)
6.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B)
6.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C4(H4), C6(H6), C9(H9), C11(H11), C13(H13), C14(H14),
 C17(H17), C19(H19), C23(H23), C25(H25), C29(H29), C31(H31), C31A(H31A),
 C29A(H29A)
6.d Fitted hexagon refined as free rotating group:
 C27(C28,C29,C30,C31,C32), C27A(C32A,C31A,C30A,C29A,C28A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
Dy01 Dy 0.34844(2) 0.71320(2) 0.76930(2) 0.03094(4) Uani 1 1 d . . . . .
Cl1 Cl -0.06118(9) 0.51653(8) 1.18803(7) 0.0734(3) Uani 1 1 d . . . . .
Cl2 Cl 0.73230(9) 0.80308(8) 0.29498(6) 0.0629(2) Uani 1 1 d . . . . .
Cl3 Cl 0.54002(14) 0.98064(10) 0.74123(9) 0.0930(4) Uani 1 1 d . . . . .
Cl4 Cl 0.46586(11) 0.65398(9) 0.99279(7) 0.0750(3) Uani 1 1 d . . . . .
Cl5 Cl 0.73451(9) 0.58551(6) 0.75734(8) 0.0666(2) Uani 1 1 d . . . . .
Cl6 Cl 0.41322(8) 0.36880(7) 0.74298(7) 0.0613(2) Uani 1 1 d . . . . .
Cl7 Cl 0.3470(6) 0.6120(7) 0.5124(5) 0.0705(14) Uani 0.632(12) 1 d D U P A 1
Cl8 Cl -0.0637(6) 0.7625(4) 0.8258(4) 0.0546(7) Uani 0.632(12) 1 d D U P A 1
O1 O 0.4469(2) 0.79260(17) 0.82485(16) 0.0511(5) Uani 1 1 d . . . . .
O2 O 0.7538(3) 0.9876(3) 0.9880(2) 0.0859(9) Uani 1 1 d . . . . .
O3 O 0.7436(3) 0.8466(3) 1.0776(2) 0.0869(9) Uani 1 1 d . . . . .
O4 O 0.49018(18) 0.55767(15) 0.75394(14) 0.0441(4) Uani 1 1 d . . . . .
O5 O 0.9392(3) 0.1841(2) 0.8076(2) 0.0848(9) Uani 1 1 d . . . . .
O6 O 0.8375(3) 0.0965(2) 0.7650(3) 0.0977(11) Uani 1 1 d . . . . .
O7 O 0.21520(18) 0.67553(15) 0.71228(14) 0.0421(4) Uani 1 1 d D U . . .
O8 O -0.0597(8) 0.7850(10) 0.4109(5) 0.121(3) Uani 0.632(12) 1 d D U P A 1
O9 O -0.2238(8) 0.8463(10) 0.5391(7) 0.121(3) Uani 0.632(12) 1 d D U P A 1
N1 N 0.2167(2) 0.63619(17) 0.92678(15) 0.0370(5) Uani 1 1 d . . . . .
N2 N 0.1609(2) 0.84434(16) 0.87608(16) 0.0375(5) Uani 1 1 d . . . . .
N3 N 0.2740(2) 0.88589(16) 0.68829(16) 0.0370(5) Uani 1 1 d . . . . .
N4 N 0.4974(2) 0.74148(18) 0.59966(16) 0.0398(5) Uani 1 1 d . . . . .
N5 N 0.7163(3) 0.9070(3) 1.0147(2) 0.0583(7) Uani 1 1 d . . . . .
N6 N 0.8516(3) 0.1794(2) 0.7813(2) 0.0641(8) Uani 1 1 d . . . . .
N7 N -0.1076(9) 0.7997(9) 0.4962(6) 0.093(2) Uani 0.632(12) 1 d D U P A 1
C1 C 0.2398(3) 0.5338(2) 0.9536(2) 0.0458(6) Uani 1 1 d . . . . .
H1 H 0.315108 0.487224 0.916509 0.055 Uiso 1 1 calc R . . . .
C2 C 0.1580(3) 0.4930(2) 1.0336(2) 0.0500(7) Uani 1 1 d . . . . .
H2 H 0.177954 0.421034 1.049975 0.060 Uiso 1 1 calc R . . . .
C3 C 0.0465(3) 0.5619(3) 1.0880(2) 0.0463(7) Uani 1 1 d . . . . .
C4 C 0.0209(3) 0.6686(2) 1.0633(2) 0.0465(7) Uani 1 1 d . . . . .
H4 H -0.053267 0.716529 1.100067 0.056 Uiso 1 1 calc R . . . .
C5 C 0.1079(3) 0.7025(2) 0.98282(19) 0.0385(6) Uani 1 1 d . . . . .
C6 C 0.0843(3) 0.8154(2) 0.9526(2) 0.0428(6) Uani 1 1 d . . . . .
H6 H 0.013125 0.865182 0.989999 0.051 Uiso 1 1 calc R . . . .
C7 C 0.1352(3) 0.9559(2) 0.8432(2) 0.0469(7) Uani 1 1 d . . . . .
H7A H 0.196192 0.988312 0.850748 0.056 Uiso 1 1 calc R . . . .
H7B H 0.048026 0.994579 0.880311 0.056 Uiso 1 1 calc R . . . .
C8 C 0.1498(3) 0.9596(2) 0.7390(2) 0.0435(6) Uani 1 1 d . . . . .
H8A H 0.078949 0.939341 0.732734 0.052 Uiso 1 1 calc R . . . .
H8B H 0.147855 1.030924 0.712217 0.052 Uiso 1 1 calc R . . . .
C9 C 0.3397(3) 0.9089(2) 0.6045(2) 0.0428(6) Uani 1 1 d . . . . .
H9 H 0.311538 0.973935 0.575971 0.051 Uiso 1 1 calc R . . . .
C10 C 0.4612(3) 0.8325(2) 0.55179(19) 0.0397(6) Uani 1 1 d . . . . .
C11 C 0.5308(3) 0.8538(2) 0.4579(2) 0.0465(7) Uani 1 1 d . . . . .
H11 H 0.503500 0.917617 0.427313 0.056 Uiso 1 1 calc R . . . .
C12 C 0.6414(3) 0.7782(2) 0.4111(2) 0.0465(7) Uani 1 1 d . . . . .
C13 C 0.6788(3) 0.6841(3) 0.4572(2) 0.0532(7) Uani 1 1 d . . . . .
H13 H 0.752137 0.631513 0.426134 0.064 Uiso 1 1 calc R . . . .
C14 C 0.6044(3) 0.6694(2) 0.5516(2) 0.0496(7) Uani 1 1 d . . . . .
H14 H 0.630345 0.605972 0.583201 0.060 Uiso 1 1 calc R . . . .
C15 C 0.5071(3) 0.8203(2) 0.8698(2) 0.0408(6) Uani 1 1 d . . . . .
C16 C 0.5600(3) 0.9077(2) 0.8413(2) 0.0449(6) Uani 1 1 d . . . . .
C17 C 0.6250(3) 0.9382(2) 0.8884(2) 0.0476(7) Uani 1 1 d . . . . .
H17 H 0.657756 0.997032 0.867192 0.057 Uiso 1 1 calc R . . . .
C18 C 0.6405(3) 0.8792(2) 0.9678(2) 0.0442(6) Uani 1 1 d . . . . .
C19 C 0.5917(3) 0.7921(3) 1.0011(2) 0.0460(7) Uani 1 1 d . . . . .
H19 H 0.602747 0.753399 1.055028 0.055 Uiso 1 1 calc R . . . .
C20 C 0.5266(3) 0.7640(2) 0.9530(2) 0.0453(6) Uani 1 1 d . . . . .
C21 C 0.5769(2) 0.47015(19) 0.75596(18) 0.0343(5) Uani 1 1 d . . . . .
C22 C 0.6984(3) 0.4663(2) 0.7610(2) 0.0392(6) Uani 1 1 d . . . . .
C23 C 0.7883(3) 0.3728(2) 0.7683(2) 0.0436(6) Uani 1 1 d . . . . .
H23 H 0.866073 0.373270 0.773597 0.052 Uiso 1 1 calc R . . . .
C24 C 0.7603(3) 0.2786(2) 0.7677(2) 0.0446(6) Uani 1 1 d . . . . .
C25 C 0.6468(3) 0.2757(2) 0.7578(2) 0.0447(6) Uani 1 1 d . . . . .
H25 H 0.630926 0.211406 0.755099 0.054 Uiso 1 1 calc R . . . .
C26 C 0.5577(3) 0.3702(2) 0.75197(19) 0.0379(5) Uani 1 1 d . . . . .
C27 C 0.1317(6) 0.6925(7) 0.6634(4) 0.0433(13) Uani 0.632(12) 1 d D U P A 1
C28 C 0.1834(5) 0.6764(6) 0.5661(4) 0.0495(12) Uani 0.632(12) 1 d DG U P A 1
C29 C 0.1037(6) 0.7086(7) 0.5116(3) 0.0623(16) Uani 0.632(12) 1 d G U P A 1
H29 H 0.138240 0.697824 0.446444 0.075 Uiso 0.632(12) 1 calc R . P A 1
C30 C -0.0278(6) 0.7569(7) 0.5545(4) 0.0662(15) Uani 0.632(12) 1 d DG U P A 1
C31 C -0.0795(5) 0.7730(6) 0.6518(4) 0.0550(12) Uani 0.632(12) 1 d G U P A 1
H31 H -0.167395 0.805328 0.680548 0.066 Uiso 0.632(12) 1 calc R . P A 1
C32 C 0.0003(6) 0.7408(7) 0.7063(3) 0.0417(11) Uani 0.632(12) 1 d DG U P A 1
C27A C 0.1494(10) 0.6944(11) 0.6588(7) 0.0302(12) Uani 0.368(12) 1 d D U P A 2
C32A C 0.0188(11) 0.7490(12) 0.6939(6) 0.049(2) Uani 0.368(12) 1 d DG U P A 2
C31A C -0.0573(9) 0.7652(12) 0.6375(8) 0.064(2) Uani 0.368(12) 1 d G U P A 2
H31A H -0.144586 0.801828 0.660994 0.076 Uiso 0.368(12) 1 calc R . P A 2
C30A C -0.0029(11) 0.7268(12) 0.5460(8) 0.0710(19) Uani 0.368(12) 1 d DG U P A
2
C29A C 0.1277(11) 0.6721(11) 0.5110(7) 0.061(2) Uani 0.368(12) 1 d G U P A 2
H29A H 0.164061 0.646367 0.449758 0.073 Uiso 0.368(12) 1 calc R . P A 2
C28A C 0.2038(9) 0.6559(10) 0.5674(8) 0.0519(18) Uani 0.368(12) 1 d DG U P A 2
Cl7A Cl 0.3647(11) 0.5947(11) 0.5175(10) 0.078(3) Uani 0.368(12) 1 d D U P A 2
N7A N -0.0819(13) 0.7522(16) 0.4869(9) 0.090(2) Uani 0.368(12) 1 d D U P A 2
O8A O -0.0376(12) 0.7068(17) 0.4107(8) 0.119(4) Uani 0.368(12) 1 d D U P A 2
O9A O -0.1852(15) 0.8272(15) 0.5078(12) 0.112(4) Uani 0.368(12) 1 d D U P A 2
Cl8A Cl -0.0626(11) 0.7778(10) 0.8076(7) 0.077(3) Uani 0.368(12) 1 d D U P A 2
N8 N 0.182(2) 0.923(2) 0.453(2) 0.276(9) Uani 0.5 1 d D U P B -1
C33 C 0.077(3) 0.970(3) 0.468(3) 0.252(10) Uani 0.5 1 d D U P B -1
C34 C -0.059(2) 1.021(2) 0.483(2) 0.216(9) Uani 0.5 1 d D U P B -1
H34A H -0.113949 0.993422 0.539259 0.324 Uiso 0.5 1 d R . P B -1
H34B H -0.067209 0.999912 0.427719 0.324 Uiso 0.5 1 d R . P B -1
H34C H -0.084069 1.097482 0.483779 0.324 Uiso 0.5 1 d R . P B -1


_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
Dy01 O1 2.181(2) . ?
Dy01 O4 2.1910(18) . ?
Dy01 O7 2.2135(18) . ?
Dy01 N1 2.564(2) . ?
Dy01 N2 2.501(2) . ?
Dy01 N3 2.505(2) . ?
Dy01 N4 2.553(2) . ?
Cl1 C3 1.727(3) . ?
Cl2 C12 1.723(3) . ?
Cl3 C16 1.729(3) . ?
Cl4 C20 1.736(3) . ?
Cl5 C22 1.735(3) . ?
Cl6 C26 1.724(3) . ?
Cl7 C28 1.743(6) . ?
Cl8 C32 1.710(5) . ?
O1 C15 1.283(3) . ?
O2 N5 1.228(4) . ?
O3 N5 1.225(4) . ?
O4 C21 1.289(3) . ?
O5 N6 1.233(4) . ?
O6 N6 1.225(4) . ?
O7 C27 1.368(4) . ?
O7 C27A 1.255(7) . ?
O8 N7 1.219(8) . ?
O9 N7 1.253(9) . ?
N1 C1 1.334(4) . ?
N1 C5 1.351(3) . ?
N2 C6 1.258(4) . ?
N2 C7 1.468(3) . ?
N3 C8 1.467(3) . ?
N3 C9 1.261(4) . ?
N4 C10 1.351(3) . ?
N4 C14 1.336(4) . ?
N5 C18 1.456(4) . ?
N6 C24 1.460(3) . ?
N7 C30 1.446(6) . ?
C1 H1 0.9300 . ?
C1 C2 1.384(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.374(4) . ?
C3 C4 1.380(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.377(4) . ?
C5 C6 1.473(4) . ?
C6 H6 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.517(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9 0.9300 . ?
C9 C10 1.473(4) . ?
C10 C11 1.384(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.377(4) . ?
C12 C13 1.372(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.388(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.406(4) . ?
C15 C20 1.425(4) . ?
C16 C17 1.374(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.377(4) . ?
C18 C19 1.381(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.369(4) . ?
C21 C22 1.413(4) . ?
C21 C26 1.416(4) . ?
C22 C23 1.377(4) . ?
C23 H23 0.9300 . ?
C23 C24 1.379(4) . ?
C24 C25 1.381(4) . ?
C25 H25 0.9300 . ?
C25 C26 1.376(4) . ?
C27 C28 1.3900 . ?
C27 C32 1.3900 . ?
C28 C29 1.3900 . ?
C29 H29 0.9300 . ?
C29 C30 1.3900 . ?
C30 C31 1.3900 . ?
C31 H31 0.9300 . ?
C31 C32 1.3900 . ?
C27A C32A 1.3900 . ?
C27A C28A 1.3900 . ?
C32A C31A 1.3900 . ?
C32A Cl8A 1.660(10) . ?
C31A H31A 0.9300 . ?
C31A C30A 1.3900 . ?
C30A C29A 1.3900 . ?
C30A N7A 1.441(10) . ?
C29A H29A 0.9300 . ?
C29A C28A 1.3900 . ?
C28A Cl7A 1.703(10) . ?
N7A O8A 1.234(12) . ?
N7A O9A 1.267(13) . ?
N8 C33 1.137(9) . ?
C33 C34 1.452(9) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9601 . ?

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 Dy01 O4 96.67(8) . . ?
O1 Dy01 O7 164.85(7) . . ?
O1 Dy01 N1 98.69(8) . . ?
O1 Dy01 N2 78.47(8) . . ?
O1 Dy01 N3 87.83(8) . . ?
O1 Dy01 N4 90.37(8) . . ?
O4 Dy01 O7 98.36(7) . . ?
O4 Dy01 N1 85.78(7) . . ?
O4 Dy01 N2 148.30(7) . . ?
O4 Dy01 N3 146.21(8) . . ?
O4 Dy01 N4 81.89(7) . . ?
O7 Dy01 N1 84.37(7) . . ?
O7 Dy01 N2 89.67(7) . . ?
O7 Dy01 N3 78.59(7) . . ?
O7 Dy01 N4 89.84(8) . . ?
N2 Dy01 N1 64.44(7) . . ?
N2 Dy01 N3 65.41(7) . . ?
N2 Dy01 N4 129.00(7) . . ?
N3 Dy01 N1 126.75(7) . . ?
N3 Dy01 N4 64.56(7) . . ?
N4 Dy01 N1 165.47(7) . . ?
C15 O1 Dy01 166.9(2) . . ?
C21 O4 Dy01 171.02(18) . . ?
C27 O7 Dy01 157.2(4) . . ?
C27A O7 Dy01 152.4(6) . . ?
C1 N1 Dy01 125.12(18) . . ?
C1 N1 C5 117.0(2) . . ?
C5 N1 Dy01 117.54(17) . . ?
C6 N2 Dy01 121.48(18) . . ?
C6 N2 C7 120.2(2) . . ?
C7 N2 Dy01 118.07(17) . . ?
C8 N3 Dy01 118.85(17) . . ?
C9 N3 Dy01 121.18(18) . . ?
C9 N3 C8 119.9(2) . . ?
C10 N4 Dy01 118.10(18) . . ?
C14 N4 Dy01 124.75(18) . . ?
C14 N4 C10 117.0(2) . . ?
O2 N5 C18 119.3(3) . . ?
O3 N5 O2 122.5(3) . . ?
O3 N5 C18 118.2(3) . . ?
O5 N6 C24 118.1(3) . . ?
O6 N6 O5 123.8(3) . . ?
O6 N6 C24 118.1(3) . . ?
O8 N7 O9 124.9(7) . . ?
O8 N7 C30 118.7(7) . . ?
O9 N7 C30 116.3(6) . . ?
N1 C1 H1 118.2 . . ?
N1 C1 C2 123.7(3) . . ?
C2 C1 H1 118.2 . . ?
C1 C2 H2 121.0 . . ?
C3 C2 C1 118.0(3) . . ?
C3 C2 H2 121.0 . . ?
C2 C3 Cl1 120.7(2) . . ?
C2 C3 C4 119.7(3) . . ?
C4 C3 Cl1 119.6(2) . . ?
C3 C4 H4 120.8 . . ?
C5 C4 C3 118.4(3) . . ?
C5 C4 H4 120.8 . . ?
N1 C5 C4 123.1(3) . . ?
N1 C5 C6 116.3(2) . . ?
C4 C5 C6 120.5(2) . . ?
N2 C6 C5 119.8(2) . . ?
N2 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
N2 C7 H7A 110.1 . . ?
N2 C7 H7B 110.1 . . ?
N2 C7 C8 107.9(2) . . ?
H7A C7 H7B 108.4 . . ?
C8 C7 H7A 110.1 . . ?
C8 C7 H7B 110.1 . . ?
N3 C8 C7 108.4(2) . . ?
N3 C8 H8A 110.0 . . ?
N3 C8 H8B 110.0 . . ?
C7 C8 H8A 110.0 . . ?
C7 C8 H8B 110.0 . . ?
H8A C8 H8B 108.4 . . ?
N3 C9 H9 120.0 . . ?
N3 C9 C10 119.9(2) . . ?
C10 C9 H9 120.0 . . ?
N4 C10 C9 116.2(2) . . ?
N4 C10 C11 123.1(3) . . ?
C11 C10 C9 120.7(2) . . ?
C10 C11 H11 120.8 . . ?
C12 C11 C10 118.3(3) . . ?
C12 C11 H11 120.8 . . ?
C11 C12 Cl2 119.6(2) . . ?
C13 C12 Cl2 120.5(3) . . ?
C13 C12 C11 119.8(3) . . ?
C12 C13 H13 120.9 . . ?
C12 C13 C14 118.2(3) . . ?
C14 C13 H13 120.9 . . ?
N4 C14 C13 123.6(3) . . ?
N4 C14 H14 118.2 . . ?
C13 C14 H14 118.2 . . ?
O1 C15 C16 123.1(3) . . ?
O1 C15 C20 122.5(3) . . ?
C16 C15 C20 114.4(2) . . ?
C15 C16 Cl3 117.3(2) . . ?
C17 C16 Cl3 118.8(2) . . ?
C17 C16 C15 123.9(3) . . ?
C16 C17 H17 120.9 . . ?
C16 C17 C18 118.2(3) . . ?
C18 C17 H17 120.9 . . ?
C17 C18 N5 118.5(3) . . ?
C17 C18 C19 121.9(3) . . ?
C19 C18 N5 119.5(3) . . ?
C18 C19 H19 120.7 . . ?
C20 C19 C18 118.6(3) . . ?
C20 C19 H19 120.7 . . ?
C15 C20 Cl4 117.5(2) . . ?
C19 C20 Cl4 119.4(2) . . ?
C19 C20 C15 123.1(3) . . ?
O4 C21 C22 123.0(2) . . ?
O4 C21 C26 122.1(2) . . ?
C22 C21 C26 115.0(2) . . ?
C21 C22 Cl5 117.90(19) . . ?
C23 C22 Cl5 119.1(2) . . ?
C23 C22 C21 123.0(3) . . ?
C22 C23 H23 120.8 . . ?
C22 C23 C24 118.5(3) . . ?
C24 C23 H23 120.8 . . ?
C23 C24 N6 118.7(3) . . ?
C23 C24 C25 121.9(2) . . ?
C25 C24 N6 119.4(3) . . ?
C24 C25 H25 120.8 . . ?
C26 C25 C24 118.4(3) . . ?
C26 C25 H25 120.8 . . ?
C21 C26 Cl6 117.58(19) . . ?
C25 C26 Cl6 119.4(2) . . ?
C25 C26 C21 123.0(3) . . ?
O7 C27 C28 118.5(4) . . ?
O7 C27 C32 120.7(4) . . ?
C28 C27 C32 120.0 . . ?
C27 C28 Cl7 120.3(4) . . ?
C29 C28 Cl7 119.7(4) . . ?
C29 C28 C27 120.0 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 N7 119.7(5) . . ?
C31 C30 N7 120.0(4) . . ?
C31 C30 C29 120.0 . . ?
C30 C31 H31 120.0 . . ?
C32 C31 C30 120.0 . . ?
C32 C31 H31 120.0 . . ?
C27 C32 Cl8 120.3(4) . . ?
C31 C32 Cl8 119.7(4) . . ?
C31 C32 C27 120.0 . . ?
O7 C27A C32A 119.3(8) . . ?
O7 C27A C28A 120.6(8) . . ?
C32A C27A C28A 120.0 . . ?
C27A C32A C31A 120.0 . . ?
C27A C32A Cl8A 123.9(8) . . ?
C31A C32A Cl8A 115.1(7) . . ?
C32A C31A H31A 120.0 . . ?
C32A C31A C30A 120.0 . . ?
C30A C31A H31A 120.0 . . ?
C31A C30A C29A 120.0 . . ?
C31A C30A N7A 118.5(8) . . ?
C29A C30A N7A 121.3(8) . . ?
C30A C29A H29A 120.0 . . ?
C28A C29A C30A 120.0 . . ?
C28A C29A H29A 120.0 . . ?
C27A C28A Cl7A 122.5(8) . . ?
C29A C28A C27A 120.0 . . ?
C29A C28A Cl7A 117.4(8) . . ?
O8A N7A C30A 117.4(10) . . ?
O8A N7A O9A 121.7(11) . . ?
O9A N7A C30A 120.3(11) . . ?
N8 C33 C34 175(4) . . ?
C33 C34 H34A 110.8 . . ?
C33 C34 H34B 101.0 . . ?
C33 C34 H34C 116.2 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 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
Dy01 O1 C15 C16 168.7(7) . . . . ?
Dy01 O1 C15 C20 -10.9(10) . . . . ?
Dy01 O7 C27 C28 84.3(9) . . . . ?
Dy01 O7 C27 C32 -85.5(9) . . . . ?
Dy01 O7 C27A C32A -94.6(12) . . . . ?
Dy01 O7 C27A C28A 89.1(14) . . . . ?
Dy01 N1 C1 C2 -171.9(2) . . . . ?
Dy01 N1 C5 C4 172.2(2) . . . . ?
Dy01 N1 C5 C6 -6.8(3) . . . . ?
Dy01 N2 C6 C5 2.7(4) . . . . ?
Dy01 N2 C7 C8 42.9(3) . . . . ?
Dy01 N3 C8 C7 38.0(3) . . . . ?
Dy01 N3 C9 C10 1.3(4) . . . . ?
Dy01 N4 C10 C9 2.0(3) . . . . ?
Dy01 N4 C10 C11 -176.5(2) . . . . ?
Dy01 N4 C14 C13 175.4(2) . . . . ?
Cl1 C3 C4 C5 -179.5(2) . . . . ?
Cl2 C12 C13 C14 178.0(3) . . . . ?
Cl3 C16 C17 C18 -179.9(2) . . . . ?
Cl5 C22 C23 C24 -177.7(2) . . . . ?
Cl7 C28 C29 C30 177.9(6) . . . . ?
O1 C15 C16 Cl3 0.7(4) . . . . ?
O1 C15 C16 C17 -179.8(3) . . . . ?
O1 C15 C20 Cl4 0.3(4) . . . . ?
O1 C15 C20 C19 179.4(3) . . . . ?
O2 N5 C18 C17 6.8(4) . . . . ?
O2 N5 C18 C19 -176.2(3) . . . . ?
O3 N5 C18 C17 -170.9(3) . . . . ?
O3 N5 C18 C19 6.0(4) . . . . ?
O4 C21 C22 Cl5 -3.8(4) . . . . ?
O4 C21 C22 C23 176.4(3) . . . . ?
O4 C21 C26 Cl6 0.6(4) . . . . ?
O4 C21 C26 C25 -177.4(3) . . . . ?
O5 N6 C24 C23 11.2(5) . . . . ?
O5 N6 C24 C25 -166.7(3) . . . . ?
O6 N6 C24 C23 -168.0(3) . . . . ?
O6 N6 C24 C25 14.1(5) . . . . ?
O7 C27 C28 Cl7 12.3(7) . . . . ?
O7 C27 C28 C29 -169.8(7) . . . . ?
O7 C27 C32 Cl8 -9.6(6) . . . . ?
O7 C27 C32 C31 169.6(7) . . . . ?
O7 C27A C32A C31A -176.3(11) . . . . ?
O7 C27A C32A Cl8A -8.6(12) . . . . ?
O7 C27A C28A C29A 176.3(11) . . . . ?
O7 C27A C28A Cl7A -7.5(13) . . . . ?
O8 N7 C30 C29 5.7(12) . . . . ?
O8 N7 C30 C31 179.6(8) . . . . ?
O9 N7 C30 C29 -176.9(9) . . . . ?
O9 N7 C30 C31 -3.0(12) . . . . ?
N1 C1 C2 C3 0.3(5) . . . . ?
N1 C5 C6 N2 3.0(4) . . . . ?
N2 C7 C8 N3 -50.2(3) . . . . ?
N3 C9 C10 N4 -2.2(4) . . . . ?
N3 C9 C10 C11 176.3(3) . . . . ?
N4 C10 C11 C12 0.6(4) . . . . ?
N5 C18 C19 C20 -176.6(3) . . . . ?
N6 C24 C25 C26 175.3(3) . . . . ?
N7 C30 C31 C32 -173.8(8) . . . . ?
C1 N1 C5 C4 -1.5(4) . . . . ?
C1 N1 C5 C6 179.5(3) . . . . ?
C1 C2 C3 Cl1 179.2(2) . . . . ?
C1 C2 C3 C4 -1.5(5) . . . . ?
C2 C3 C4 C5 1.2(5) . . . . ?
C3 C4 C5 N1 0.3(4) . . . . ?
C3 C4 C5 C6 179.2(3) . . . . ?
C4 C5 C6 N2 -176.0(3) . . . . ?
C5 N1 C1 C2 1.2(4) . . . . ?
C6 N2 C7 C8 -131.9(3) . . . . ?
C7 N2 C6 C5 177.3(2) . . . . ?
C8 N3 C9 C10 -176.9(2) . . . . ?
C9 N3 C8 C7 -143.7(3) . . . . ?
C9 C10 C11 C12 -177.9(3) . . . . ?
C10 N4 C14 C13 0.6(5) . . . . ?
C10 C11 C12 Cl2 -178.7(2) . . . . ?
C10 C11 C12 C13 0.9(4) . . . . ?
C11 C12 C13 C14 -1.5(5) . . . . ?
C12 C13 C14 N4 0.8(5) . . . . ?
C14 N4 C10 C9 177.2(3) . . . . ?
C14 N4 C10 C11 -1.3(4) . . . . ?
C15 C16 C17 C18 0.6(4) . . . . ?
C16 C15 C20 Cl4 -179.4(2) . . . . ?
C16 C15 C20 C19 -0.3(4) . . . . ?
C16 C17 C18 N5 176.2(3) . . . . ?
C16 C17 C18 C19 -0.7(4) . . . . ?
C17 C18 C19 C20 0.3(4) . . . . ?
C18 C19 C20 Cl4 179.3(2) . . . . ?
C18 C19 C20 C15 0.2(4) . . . . ?
C20 C15 C16 Cl3 -179.7(2) . . . . ?
C20 C15 C16 C17 -0.1(4) . . . . ?
C21 C22 C23 C24 2.2(4) . . . . ?
C22 C21 C26 Cl6 -178.5(2) . . . . ?
C22 C21 C26 C25 3.5(4) . . . . ?
C22 C23 C24 N6 -176.3(3) . . . . ?
C22 C23 C24 C25 1.5(5) . . . . ?
C23 C24 C25 C26 -2.4(5) . . . . ?
C24 C25 C26 Cl6 -178.2(2) . . . . ?
C24 C25 C26 C21 -0.2(4) . . . . ?
C26 C21 C22 Cl5 175.4(2) . . . . ?
C26 C21 C22 C23 -4.5(4) . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C28 C27 C32 Cl8 -179.1(6) . . . . ?
C28 C27 C32 C31 0.0 . . . . ?
C28 C29 C30 N7 173.9(7) . . . . ?
C28 C29 C30 C31 0.0 . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C31 C32 Cl8 179.1(6) . . . . ?
C30 C31 C32 C27 0.0 . . . . ?
C32 C27 C28 Cl7 -177.9(6) . . . . ?
C32 C27 C28 C29 0.0 . . . . ?
C27A C32A C31A C30A 0.0 . . . . ?
C32A C27A C28A C29A 0.0 . . . . ?
C32A C27A C28A Cl7A 176.3(12) . . . . ?
C32A C31A C30A C29A 0.0 . . . . ?
C32A C31A C30A N7A -175.2(13) . . . . ?
C31A C30A C29A C28A 0.0 . . . . ?
C31A C30A N7A O8A -171.3(14) . . . . ?
C31A C30A N7A O9A 17(2) . . . . ?
C30A C29A C28A C27A 0.0 . . . . ?
C30A C29A C28A Cl7A -176.5(11) . . . . ?
C29A C30A N7A O8A 14(2) . . . . ?
C29A C30A N7A O9A -158.2(15) . . . . ?
C28A C27A C32A C31A 0.0 . . . . ?
C28A C27A C32A Cl8A 167.7(12) . . . . ?
N7A C30A C29A C28A 175.1(13) . . . . ?
Cl8A C32A C31A C30A -168.7(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
