# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_03081
_database_code_depnum_ccdc_archive 'CCDC 2167973'
loop_
_audit_author_name
_audit_author_address
'Josefina Perles Hernaez'
;Universidad Autonoma de Madrid
Spain
;
_audit_update_record             
;
2022-06-21 deposited with the CCDC.	2022-06-23 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            DTP_250K
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H25 Cl2 Dy N2 O3 S3'
_chemical_formula_iupac          ?
_chemical_formula_weight         839.14

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.8693(4)
_cell_length_b                   15.1532(4)
_cell_length_c                   16.6644(5)
_cell_angle_alpha                90
_cell_angle_beta                 106.6357(13)
_cell_angle_gamma                90
_cell_volume                     3355.67(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9755
_cell_measurement_theta_min      2.5512
_cell_measurement_theta_max      23.8706
_cell_measurement_temperature    250.(2)

_exptl_crystal_description       prismatic
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.047
_exptl_crystal_size_min          0.043
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1660

_exptl_absorpt_coefficient_mu    2.610
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_correction_T_min  0.73
_exptl_absorpt_correction_T_max  0.90

_exptl_special_details           
;
;

_diffrn_ambient_temperature      250.(2)

_diffrn_source                   'sealed tube'
_diffrn_source_type              ?

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  ?

_diffrn_measurement_device_type  'Bruker Kappa Apex II'
_diffrn_measurement_method       'φ and ω scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            131379
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_av_unetI/netI     0.0194
_diffrn_reflns_theta_min         1.53
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20

_refine_special_details          
;
;

_reflns_number_total             6134
_reflns_number_gt                5182
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0301
_refine_ls_R_factor_gt           0.0205
_refine_ls_wR_factor_gt          0.0424
_refine_ls_wR_factor_ref         0.0466
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.048
_refine_ls_number_reflns         6134
_refine_ls_number_parameters     428
_refine_ls_number_restraints     70
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0165P)²+3.0406P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.438
_refine_diff_density_min         -0.375
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'Bruker Instrument Service v2010.9.0.0'
_computing_cell_refinement       'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_data_reduction        'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_structure_solution    'XT, VERSION 2018/2'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 1328)'
_computing_publication_material  'Mercury (C. F. Macrae, 2020)'
_audit_creation_method           'shelXle (C.B. Huebschle, rev 1328)'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.1461(2) 0.31472(18) 0.58602(16) 0.0336(6) Uani d . . . 1.000000 . .
C C2 0.0757(2) 0.24650(17) 0.59899(16) 0.0338(6) Uani d . . . 1.000000 . .
C C3 0.1076(3) 0.1779(2) 0.6544(2) 0.0569(9) Uani d . . . 1.000000 . .
H H3 0.175558 0.174173 0.685925 0.068000 Uiso calc U . R 1.000000 . .
C C4 0.0401(3) 0.1146(2) 0.6639(3) 0.0736(11) Uani d . . . 1.000000 . .
H H4 0.062295 0.068162 0.702115 0.088000 Uiso calc U . R 1.000000 . .
C C5 -0.0585(3) 0.1188(2) 0.6182(2) 0.0646(10) Uani d . . . 1.000000 . .
H H5 -0.103555 0.074365 0.623381 0.078000 Uiso calc U . R 1.000000 . .
C C6 -0.0914(3) 0.1877(2) 0.5649(2) 0.0584(9) Uani d . . . 1.000000 . .
H H6 -0.159836 0.191894 0.534775 0.070000 Uiso calc U . R 1.000000 . .
C C7 -0.0247(2) 0.2514(2) 0.55492(18) 0.0465(8) Uani d . . . 1.000000 . .
H H7 -0.047963 0.298500 0.517740 0.056000 Uiso calc U . R 1.000000 . .
C C8 0.3618(2) 0.32442(18) 0.44033(16) 0.0355(6) Uani d . . . 1.000000 . .
C C9 0.4331(2) 0.26489(18) 0.41585(17) 0.0368(6) Uani d . . . 1.000000 . .
C C10 0.5344(2) 0.2713(2) 0.4567(2) 0.0574(9) Uani d . . . 1.000000 . .
H H10 0.556988 0.311239 0.501286 0.069000 Uiso calc U . R 1.000000 . .
C C11 0.6027(3) 0.2191(3) 0.4325(3) 0.0818(13) Uani d . . . 1.000000 . .
H H11 0.671766 0.224355 0.460109 0.098000 Uiso calc U . R 1.000000 . .
C C12 0.5704(3) 0.1600(3) 0.3685(3) 0.0758(12) Uani d . . . 1.000000 . .
H H12 0.617210 0.124493 0.352358 0.091000 Uiso calc U . R 1.000000 . .
C C13 0.4706(3) 0.1523(2) 0.3282(2) 0.0642(10) Uani d . . . 1.000000 . .
H H13 0.448530 0.111190 0.284549 0.077000 Uiso calc U . R 1.000000 . .
C C14 0.4019(3) 0.2045(2) 0.35102(19) 0.0498(8) Uani d . . . 1.000000 . .
H H14 0.333072 0.199174 0.322467 0.060000 Uiso calc U . R 1.000000 . .
C C15 0.1619(2) 0.55930(17) 0.37777(16) 0.0318(6) Uani d . . . 1.000000 . .
C C16 0.1027(2) 0.58806(17) 0.29291(16) 0.0345(6) Uani d . . . 1.000000 . .
C C17 0.1480(3) 0.6032(2) 0.23002(18) 0.0472(8) Uani d . . . 1.000000 . .
H H17 0.218255 0.598559 0.241642 0.057000 Uiso calc U . R 1.000000 . .
C C18 0.0902(3) 0.6249(2) 0.1505(2) 0.0659(10) Uani d . . . 1.000000 . .
H H18 0.120870 0.632988 0.107545 0.079000 Uiso calc U . R 1.000000 . .
C C19 -0.0114(3) 0.6347(2) 0.1340(2) 0.0722(12) Uani d . . . 1.000000 . .
H H19 -0.050361 0.650546 0.079906 0.087000 Uiso calc U . R 1.000000 . .
C C20 -0.0570(3) 0.6215(2) 0.1959(2) 0.0622(10) Uani d . . . 1.000000 . .
H H20 -0.126849 0.629356 0.184460 0.075000 Uiso calc U . R 1.000000 . .
C C21 -0.0005(2) 0.59667(19) 0.27491(18) 0.0435(7) Uani d . . . 1.000000 . .
H H21 -0.032296 0.585555 0.316712 0.052000 Uiso calc U . R 1.000000 . .
C C22 0.1051(2) 0.56770(18) 0.60629(18) 0.0389(7) Uani d . . . 1.000000 . .
H H22 0.056471 0.537887 0.563957 0.047000 Uiso calc U . R 1.000000 . .
C C23 0.0720(2) 0.6258(2) 0.65735(19) 0.0460(7) Uani d . . . 1.000000 . .
H H23 0.002849 0.634243 0.649856 0.055000 Uiso calc U . R 1.000000 . .
C C24 0.1410(2) 0.6700(2) 0.71807(19) 0.0467(8) Uani d . . . 1.000000 . .
H H24 0.119894 0.709894 0.752786 0.056000 Uiso calc U . R 1.000000 . .
C C25 0.2443(2) 0.65609(18) 0.72918(17) 0.0394(7) Uani d . . . 1.000000 . .
C C26 0.2714(2) 0.59577(17) 0.67538(16) 0.0320(6) Uani d . . . 1.000000 . .
C C27 0.3220(3) 0.7002(2) 0.79113(19) 0.0521(8) Uani d . . . 1.000000 . .
H H27 0.304516 0.741071 0.826994 0.063000 Uiso calc U . R 1.000000 . .
C C28 0.4193(3) 0.6844(2) 0.79924(19) 0.0527(8) Uani d . . . 1.000000 . .
H H28 0.468700 0.714670 0.840564 0.063000 Uiso calc U . R 1.000000 . .
C C29 0.4497(2) 0.62259(19) 0.74638(17) 0.0398(7) Uani d . . . 1.000000 . .
C C30 0.3753(2) 0.57801(17) 0.68408(15) 0.0319(6) Uani d . . . 1.000000 . .
C C31 0.5503(2) 0.6036(2) 0.75303(18) 0.0470(8) Uani d . . . 1.000000 . .
H H31 0.602105 0.632243 0.793573 0.056000 Uiso calc U . R 1.000000 . .
C C32 0.5729(2) 0.5435(2) 0.70077(18) 0.0446(7) Uani d . . . 1.000000 . .
H H32 0.640321 0.529801 0.705173 0.054000 Uiso calc U . R 1.000000 . .
C C33 0.4950(2) 0.50252(19) 0.64047(17) 0.0382(7) Uani d . . . 1.000000 . .
H H33 0.511776 0.461407 0.604402 0.046000 Uiso calc U . R 1.000000 . .
N N1 0.20132(16) 0.55203(14) 0.61400(13) 0.0327(5) Uani d . . . 1.000000 . .
N N2 0.39804(16) 0.51853(14) 0.63128(13) 0.0312(5) Uani d . . . 1.000000 . .
O O1 0.11146(13) 0.37645(12) 0.53553(11) 0.0371(4) Uani d . . . 1.000000 . .
O O2 0.39677(13) 0.37988(13) 0.49796(12) 0.0416(5) Uani d . . . 1.000000 . .
O O3 0.11853(13) 0.51577(13) 0.42130(11) 0.0369(4) Uani d . . . 1.000000 . .
S S1 0.27201(6) 0.31037(6) 0.63627(5) 0.0545(2) Uani d . . . 1.000000 . .
S S2 0.23565(6) 0.31960(6) 0.39303(5) 0.0488(2) Uani d . . . 1.000000 . .
S S3 0.28667(6) 0.58357(6) 0.41585(5) 0.04719(19) Uani d . . . 1.000000 . .
Dy Dy1 0.25533(2) 0.44759(2) 0.52092(2) 0.02866(5) Uani d . . . 1.000000 . .
C C34A 0.4030(15) 0.4632(17) 0.0142(16) 0.125(2) Uani d U P D 0.159(3) A 1
H H34A 0.437173 0.492766 0.066957 0.150000 Uiso calc U P DR 0.159(3) A 1
H H34B 0.446412 0.415164 0.005817 0.150000 Uiso calc U P DR 0.159(3) A 1
Cl Cl1A 0.3852(11) 0.5384(10) -0.0678(10) 0.1300(14) Uani d U P D 0.159(3) A 1
Cl Cl2A 0.2888(8) 0.4192(7) 0.0209(6) 0.1042(12) Uani d U P D 0.159(3) A 1
C C34B 0.3398(6) 0.4425(5) 0.0010(4) 0.125(2) Uani d U P D 0.841(3) A 2
H H34C 0.405628 0.449862 0.042359 0.150000 Uiso calc U P DR 0.841(3) A 2
H H34D 0.335054 0.381550 -0.019578 0.150000 Uiso calc U P DR 0.841(3) A 2
Cl Cl1B 0.3300(2) 0.51365(17) -0.08072(16) 0.1324(9) Uani d U P D 0.841(3) A 2
Cl Cl2B 0.24374(13) 0.46222(12) 0.04891(11) 0.1013(6) Uani d U P D 0.841(3) 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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 O1 . 1.258(3) ?
C1 C2 . 1.481(4) ?
C1 S1 . 1.708(3) ?
C1 Dy1 . 2.909(3) ?
C2 C3 . 1.377(4) ?
C2 C7 . 1.378(4) ?
C3 C4 . 1.381(5) ?
C3 H3 . 0.940000 ?
C4 C5 . 1.363(5) ?
C4 H4 . 0.940000 ?
C5 C6 . 1.362(5) ?
C5 H5 . 0.940000 ?
C6 C7 . 1.379(4) ?
C6 H6 . 0.940000 ?
C7 H7 . 0.940000 ?
C8 O2 . 1.264(3) ?
C8 C9 . 1.479(4) ?
C8 S2 . 1.702(3) ?
C8 Dy1 . 2.933(3) ?
C9 C10 . 1.378(4) ?
C9 C14 . 1.388(4) ?
C10 C11 . 1.380(5) ?
C10 H10 . 0.940000 ?
C11 C12 . 1.367(5) ?
C11 H11 . 0.940000 ?
C12 C13 . 1.359(5) ?
C12 H12 . 0.940000 ?
C13 C14 . 1.372(4) ?
C13 H13 . 0.940000 ?
C14 H14 . 0.940000 ?
C15 O3 . 1.254(3) ?
C15 C16 . 1.483(4) ?
C15 S3 . 1.704(3) ?
C15 Dy1 . 2.910(3) ?
C16 C21 . 1.382(4) ?
C16 C17 . 1.387(4) ?
C17 C18 . 1.377(4) ?
C17 H17 . 0.940000 ?
C18 C19 . 1.365(5) ?
C18 H18 . 0.940000 ?
C19 C20 . 1.370(5) ?
C19 H19 . 0.940000 ?
C20 C21 . 1.377(4) ?
C20 H20 . 0.940000 ?
C21 H21 . 0.940000 ?
C22 N1 . 1.326(3) ?
C22 C23 . 1.390(4) ?
C22 H22 . 0.940000 ?
C23 C24 . 1.354(4) ?
C23 H23 . 0.940000 ?
C24 C25 . 1.407(4) ?
C24 H24 . 0.940000 ?
C25 C26 . 1.405(4) ?
C25 C27 . 1.427(4) ?
C26 N1 . 1.364(3) ?
C26 C30 . 1.431(4) ?
C27 C28 . 1.338(4) ?
C27 H27 . 0.940000 ?
C28 C29 . 1.430(4) ?
C28 H28 . 0.940000 ?
C29 C31 . 1.398(4) ?
C29 C30 . 1.409(4) ?
C30 N2 . 1.359(3) ?
C31 C32 . 1.357(4) ?
C31 H31 . 0.940000 ?
C32 C33 . 1.394(4) ?
C32 H32 . 0.940000 ?
C33 N2 . 1.331(3) ?
C33 H33 . 0.940000 ?
N1 Dy1 . 2.477(2) ?
N2 Dy1 . 2.524(2) ?
O1 Dy1 . 2.3412(18) ?
O2 Dy1 . 2.3403(18) ?
O3 Dy1 . 2.3706(17) ?
S1 Dy1 . 2.7960(8) ?
S2 Dy1 . 2.8364(8) ?
S3 Dy1 . 2.8172(8) ?
C34A Cl1A . 1.741(13) ?
C34A Cl2A . 1.751(14) ?
C34A H34A . 0.980000 ?
C34A H34B . 0.980000 ?
C34B Cl1B . 1.712(6) ?
C34B Cl2B . 1.765(7) ?
C34B H34C . 0.980000 ?
C34B H34D . 0.980000 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 C1 C2 . . 118.3(2) ?
O1 C1 S1 . . 119.9(2) ?
C2 C1 S1 . . 121.8(2) ?
O1 C1 Dy1 . . 51.41(13) ?
C2 C1 Dy1 . . 166.79(18) ?
S1 C1 Dy1 . . 68.99(9) ?
C3 C2 C7 . . 118.7(3) ?
C3 C2 C1 . . 121.7(3) ?
C7 C2 C1 . . 119.6(2) ?
C2 C3 C4 . . 120.2(3) ?
C2 C3 H3 . . 119.900000 ?
C4 C3 H3 . . 119.900000 ?
C5 C4 C3 . . 120.5(3) ?
C5 C4 H4 . . 119.700000 ?
C3 C4 H4 . . 119.700000 ?
C6 C5 C4 . . 119.7(3) ?
C6 C5 H5 . . 120.100000 ?
C4 C5 H5 . . 120.100000 ?
C5 C6 C7 . . 120.2(3) ?
C5 C6 H6 . . 119.900000 ?
C7 C6 H6 . . 119.900000 ?
C2 C7 C6 . . 120.6(3) ?
C2 C7 H7 . . 119.700000 ?
C6 C7 H7 . . 119.700000 ?
O2 C8 C9 . . 118.3(2) ?
O2 C8 S2 . . 120.0(2) ?
C9 C8 S2 . . 121.7(2) ?
O2 C8 Dy1 . . 50.42(13) ?
C9 C8 Dy1 . . 167.98(19) ?
S2 C8 Dy1 . . 69.75(9) ?
C10 C9 C14 . . 118.5(3) ?
C10 C9 C8 . . 119.2(3) ?
C14 C9 C8 . . 122.2(3) ?
C9 C10 C11 . . 120.2(3) ?
C9 C10 H10 . . 119.900000 ?
C11 C10 H10 . . 119.900000 ?
C12 C11 C10 . . 120.3(4) ?
C12 C11 H11 . . 119.900000 ?
C10 C11 H11 . . 119.900000 ?
C13 C12 C11 . . 120.1(3) ?
C13 C12 H12 . . 120.000000 ?
C11 C12 H12 . . 120.000000 ?
C12 C13 C14 . . 120.2(3) ?
C12 C13 H13 . . 119.900000 ?
C14 C13 H13 . . 119.900000 ?
C13 C14 C9 . . 120.6(3) ?
C13 C14 H14 . . 119.700000 ?
C9 C14 H14 . . 119.700000 ?
O3 C15 C16 . . 118.7(2) ?
O3 C15 S3 . . 120.1(2) ?
C16 C15 S3 . . 121.2(2) ?
O3 C15 Dy1 . . 52.73(13) ?
C16 C15 Dy1 . . 161.43(18) ?
S3 C15 Dy1 . . 69.74(9) ?
C21 C16 C17 . . 119.1(3) ?
C21 C16 C15 . . 119.4(3) ?
C17 C16 C15 . . 121.5(3) ?
C18 C17 C16 . . 120.1(3) ?
C18 C17 H17 . . 120.000000 ?
C16 C17 H17 . . 120.000000 ?
C19 C18 C17 . . 120.2(3) ?
C19 C18 H18 . . 119.900000 ?
C17 C18 H18 . . 119.900000 ?
C18 C19 C20 . . 120.3(3) ?
C18 C19 H19 . . 119.800000 ?
C20 C19 H19 . . 119.800000 ?
C19 C20 C21 . . 120.1(3) ?
C19 C20 H20 . . 120.000000 ?
C21 C20 H20 . . 120.000000 ?
C20 C21 C16 . . 120.2(3) ?
C20 C21 H21 . . 119.900000 ?
C16 C21 H21 . . 119.900000 ?
N1 C22 C23 . . 123.6(3) ?
N1 C22 H22 . . 118.200000 ?
C23 C22 H22 . . 118.200000 ?
C24 C23 C22 . . 119.0(3) ?
C24 C23 H23 . . 120.500000 ?
C22 C23 H23 . . 120.500000 ?
C23 C24 C25 . . 120.0(3) ?
C23 C24 H24 . . 120.000000 ?
C25 C24 H24 . . 120.000000 ?
C26 C25 C24 . . 117.5(3) ?
C26 C25 C27 . . 118.8(3) ?
C24 C25 C27 . . 123.7(3) ?
N1 C26 C25 . . 122.1(2) ?
N1 C26 C30 . . 117.7(2) ?
C25 C26 C30 . . 120.2(2) ?
C28 C27 C25 . . 121.4(3) ?
C28 C27 H27 . . 119.300000 ?
C25 C27 H27 . . 119.300000 ?
C27 C28 C29 . . 121.4(3) ?
C27 C28 H28 . . 119.300000 ?
C29 C28 H28 . . 119.300000 ?
C31 C29 C30 . . 117.6(3) ?
C31 C29 C28 . . 123.4(3) ?
C30 C29 C28 . . 119.0(3) ?
N2 C30 C29 . . 122.5(2) ?
N2 C30 C26 . . 118.2(2) ?
C29 C30 C26 . . 119.2(2) ?
C32 C31 C29 . . 119.8(3) ?
C32 C31 H31 . . 120.100000 ?
C29 C31 H31 . . 120.100000 ?
C31 C32 C33 . . 119.2(3) ?
C31 C32 H32 . . 120.400000 ?
C33 C32 H32 . . 120.400000 ?
N2 C33 C32 . . 123.4(3) ?
N2 C33 H33 . . 118.300000 ?
C32 C33 H33 . . 118.300000 ?
C22 N1 C26 . . 117.9(2) ?
C22 N1 Dy1 . . 122.03(18) ?
C26 N1 Dy1 . . 120.10(17) ?
C33 N2 C30 . . 117.4(2) ?
C33 N2 Dy1 . . 124.17(18) ?
C30 N2 Dy1 . . 118.37(16) ?
C1 O1 Dy1 . . 103.76(16) ?
C8 O2 Dy1 . . 104.98(16) ?
C15 O3 Dy1 . . 102.37(16) ?
C1 S1 Dy1 . . 76.25(9) ?
C8 S2 Dy1 . . 75.98(10) ?
C15 S3 Dy1 . . 75.68(9) ?
O2 Dy1 O1 . . 126.47(7) ?
O2 Dy1 O3 . . 128.09(6) ?
O1 Dy1 O3 . . 74.84(6) ?
O2 Dy1 N1 . . 143.16(7) ?
O1 Dy1 N1 . . 79.02(7) ?
O3 Dy1 N1 . . 80.52(7) ?
O2 Dy1 N2 . . 77.68(7) ?
O1 Dy1 N2 . . 129.36(7) ?
O3 Dy1 N2 . . 128.91(7) ?
N1 Dy1 N2 . . 65.56(7) ?
O2 Dy1 S1 . . 83.00(5) ?
O1 Dy1 S1 . . 59.42(5) ?
O3 Dy1 S1 . . 134.24(5) ?
N1 Dy1 S1 . . 91.43(5) ?
N2 Dy1 S1 . . 85.55(5) ?
O2 Dy1 S3 . . 86.18(5) ?
O1 Dy1 S3 . . 133.57(5) ?
O3 Dy1 S3 . . 58.73(5) ?
N1 Dy1 S3 . . 92.87(5) ?
N2 Dy1 S3 . . 85.01(5) ?
S1 Dy1 S3 . . 166.94(2) ?
O2 Dy1 S2 . . 58.82(5) ?
O1 Dy1 S2 . . 82.05(5) ?
O3 Dy1 S2 . . 83.47(5) ?
N1 Dy1 S2 . . 157.82(5) ?
N2 Dy1 S2 . . 136.50(5) ?
S1 Dy1 S2 . . 88.81(3) ?
S3 Dy1 S2 . . 91.83(3) ?
Cl1A C34A Cl2A . . 111.8(13) ?
Cl1A C34A H34A . . 109.300000 ?
Cl2A C34A H34A . . 109.300000 ?
Cl1A C34A H34B . . 109.300000 ?
Cl2A C34A H34B . . 109.300000 ?
H34A C34A H34B . . 107.900000 ?
Cl1B C34B Cl2B . . 110.8(4) ?
Cl1B C34B H34C . . 109.500000 ?
Cl2B C34B H34C . . 109.500000 ?
Cl1B C34B H34D . . 109.500000 ?
Cl2B C34B H34D . . 109.500000 ?
H34C C34B H34D . . 108.100000 ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O1 C1 C2 C3 . . . . -178.7(3) ?
S1 C1 C2 C3 . . . . 2.3(4) ?
Dy1 C1 C2 C3 . . . . 144.8(7) ?
O1 C1 C2 C7 . . . . 1.1(4) ?
S1 C1 C2 C7 . . . . -177.9(2) ?
Dy1 C1 C2 C7 . . . . -35.4(9) ?
C7 C2 C3 C4 . . . . 1.3(5) ?
C1 C2 C3 C4 . . . . -178.9(3) ?
C2 C3 C4 C5 . . . . 0.5(6) ?
C3 C4 C5 C6 . . . . -2.3(6) ?
C4 C5 C6 C7 . . . . 2.3(5) ?
C3 C2 C7 C6 . . . . -1.4(4) ?
C1 C2 C7 C6 . . . . 178.8(3) ?
C5 C6 C7 C2 . . . . -0.4(5) ?
O2 C8 C9 C10 . . . . 0.5(4) ?
S2 C8 C9 C10 . . . . -179.5(2) ?
Dy1 C8 C9 C10 . . . . -18.1(11) ?
O2 C8 C9 C14 . . . . -177.4(3) ?
S2 C8 C9 C14 . . . . 2.6(4) ?
Dy1 C8 C9 C14 . . . . 164.0(8) ?
C14 C9 C10 C11 . . . . 0.8(5) ?
C8 C9 C10 C11 . . . . -177.1(3) ?
C9 C10 C11 C12 . . . . -0.9(6) ?
C10 C11 C12 C13 . . . . 0.2(7) ?
C11 C12 C13 C14 . . . . 0.6(6) ?
C12 C13 C14 C9 . . . . -0.6(6) ?
C10 C9 C14 C13 . . . . -0.1(5) ?
C8 C9 C14 C13 . . . . 177.8(3) ?
O3 C15 C16 C21 . . . . 23.9(4) ?
S3 C15 C16 C21 . . . . -156.7(2) ?
Dy1 C15 C16 C21 . . . . 81.3(6) ?
O3 C15 C16 C17 . . . . -153.5(3) ?
S3 C15 C16 C17 . . . . 25.9(4) ?
Dy1 C15 C16 C17 . . . . -96.0(6) ?
C21 C16 C17 C18 . . . . -1.1(4) ?
C15 C16 C17 C18 . . . . 176.3(3) ?
C16 C17 C18 C19 . . . . 2.3(5) ?
C17 C18 C19 C20 . . . . -1.1(6) ?
C18 C19 C20 C21 . . . . -1.2(6) ?
C19 C20 C21 C16 . . . . 2.3(5) ?
C17 C16 C21 C20 . . . . -1.2(4) ?
C15 C16 C21 C20 . . . . -178.6(3) ?
N1 C22 C23 C24 . . . . 0.7(4) ?
C22 C23 C24 C25 . . . . -0.6(4) ?
C23 C24 C25 C26 . . . . 0.1(4) ?
C23 C24 C25 C27 . . . . 179.6(3) ?
C24 C25 C26 N1 . . . . 0.4(4) ?
C27 C25 C26 N1 . . . . -179.2(3) ?
C24 C25 C26 C30 . . . . -179.3(2) ?
C27 C25 C26 C30 . . . . 1.2(4) ?
C26 C25 C27 C28 . . . . -0.7(5) ?
C24 C25 C27 C28 . . . . 179.8(3) ?
C25 C27 C28 C29 . . . . -0.2(5) ?
C27 C28 C29 C31 . . . . -179.5(3) ?
C27 C28 C29 C30 . . . . 0.5(5) ?
C31 C29 C30 N2 . . . . -0.2(4) ?
C28 C29 C30 N2 . . . . 179.8(3) ?
C31 C29 C30 C26 . . . . 180.0(3) ?
C28 C29 C30 C26 . . . . 0.0(4) ?
N1 C26 C30 N2 . . . . -0.4(4) ?
C25 C26 C30 N2 . . . . 179.3(2) ?
N1 C26 C30 C29 . . . . 179.5(2) ?
C25 C26 C30 C29 . . . . -0.8(4) ?
C30 C29 C31 C32 . . . . -0.4(4) ?
C28 C29 C31 C32 . . . . 179.6(3) ?
C29 C31 C32 C33 . . . . 0.7(4) ?
C31 C32 C33 N2 . . . . -0.5(5) ?
C23 C22 N1 C26 . . . . -0.2(4) ?
C23 C22 N1 Dy1 . . . . 180.0(2) ?
C25 C26 N1 C22 . . . . -0.3(4) ?
C30 C26 N1 C22 . . . . 179.4(2) ?
C25 C26 N1 Dy1 . . . . 179.49(19) ?
C30 C26 N1 Dy1 . . . . -0.8(3) ?
C32 C33 N2 C30 . . . . -0.1(4) ?
C32 C33 N2 Dy1 . . . . 178.7(2) ?
C29 C30 N2 C33 . . . . 0.5(4) ?
C26 C30 N2 C33 . . . . -179.7(2) ?
C29 C30 N2 Dy1 . . . . -178.48(19) ?
C26 C30 N2 Dy1 . . . . 1.3(3) ?
C2 C1 O1 Dy1 . . . . -169.98(19) ?
S1 C1 O1 Dy1 . . . . 9.0(2) ?
C9 C8 O2 Dy1 . . . . -175.05(19) ?
S2 C8 O2 Dy1 . . . . 5.0(2) ?
C16 C15 O3 Dy1 . . . . 160.29(19) ?
S3 C15 O3 Dy1 . . . . -19.1(2) ?
O1 C1 S1 Dy1 . . . . -7.5(2) ?
C2 C1 S1 Dy1 . . . . 171.4(2) ?
O2 C8 S2 Dy1 . . . . -4.1(2) ?
C9 C8 S2 Dy1 . . . . 175.9(2) ?
O3 C15 S3 Dy1 . . . . 16.14(19) ?
C16 C15 S3 Dy1 . . . . -163.3(2) ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C33 H33 S3 3_666 0.94 2.99 3.658(3) 129.3 ?
C33 H33 O2 . 0.94 2.37 3.016(3) 126.0 ?
C32 H32 S3 3_666 0.94 3.04 3.667(3) 126.0 ?
C22 H22 O3 3_566 0.94 2.64 3.257(3) 124.0 ?
C22 H22 O1 . 0.94 2.65 3.140(3) 113.4 ?



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane'
