# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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_complex-1
_database_code_depnum_ccdc_archive 'CCDC 2176320'
loop_
_audit_author_name
_audit_author_address
Panja
;Gokhale Memorial Girls College
India
;
_audit_update_record             
;
2022-06-09 deposited with the CCDC.	2022-06-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H44 Cl3 Dy N4 O10 Zn2'
_chemical_formula_weight         1236.46

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/n'
_space_group_name_Hall           '-P 2yac'

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

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

_cell_length_a                   9.1695(5)
_cell_length_b                   27.5498(16)
_cell_length_c                   22.7428(12)
_cell_angle_alpha                90
_cell_angle_beta                 95.554(2)
_cell_angle_gamma                90
_cell_volume                     5718.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    608
_cell_measurement_theta_min      2.90
_cell_measurement_theta_max      25.00

_exptl_crystal_description       plate
_exptl_crystal_colour            Bronze
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_F_000             2468
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    2.318
_shelx_estimated_absorpt_T_min   0.473
_shelx_estimated_absorpt_T_max   0.934
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4238
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   SADABS-2016-2
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'photon 100 CMOS'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            101160
_diffrn_reflns_av_unetI/netI     0.0321
_diffrn_reflns_av_R_equivalents  0.0674
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.324
_diffrn_reflns_theta_max         25.390
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             10475
_reflns_number_gt                8061
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker Smart'
_computing_cell_refinement       'Bruker Smart'
_computing_data_reduction        'Bruker Saint'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Mercury (Macrae et al 2008)'
_computing_publication_material  'SHELXL-2016/4 (Sheldrick, 2016)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0839P)²+65.5009P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10475
_refine_ls_number_parameters     627
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0997
_refine_ls_R_factor_gt           0.0747
_refine_ls_wR_factor_ref         0.2221
_refine_ls_wR_factor_gt          0.1975
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.111
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
DyA Dy 0.750000 0.30169(2) 0.750000 0.0484(2) Uani 1 2 d S T P . .
ZnA Zn 0.63705(9) 0.21771(3) 0.63979(3) 0.0274(2) Uani 1 1 d . . . . .
ClA Cl 0.4440(2) 0.24010(9) 0.57552(8) 0.0383(5) Uani 1 1 d . . . . .
O1A O 0.7690(6) 0.2763(2) 0.6561(2) 0.0301(12) Uani 1 1 d . . . . .
O2A O 0.8218(8) 0.3655(2) 0.6680(3) 0.0496(17) Uani 1 1 d . . . . .
O3A O 0.5914(6) 0.2370(2) 0.7231(2) 0.0313(12) Uani 1 1 d . . . . .
O4A O 0.4173(6) 0.2794(2) 0.7920(3) 0.0392(14) Uani 1 1 d . . . . .
O5A O 0.9500(7) 0.3516(3) 0.7853(3) 0.0530(17) Uani 1 1 d . . . . .
N1A N 0.7964(7) 0.1911(2) 0.5878(3) 0.0289(14) Uani 1 1 d . . . . .
N2A N 0.6481(7) 0.1461(2) 0.6661(3) 0.0287(14) Uani 1 1 d . . . . .
C1A C 0.8417(8) 0.2963(3) 0.6139(3) 0.0305(17) Uani 1 1 d . . . . .
C2A C 0.8725(10) 0.3445(3) 0.6187(3) 0.039(2) Uani 1 1 d . . . . .
C3A C 0.9506(12) 0.3688(4) 0.5780(4) 0.050(2) Uani 1 1 d . . . . .
H3A H 0.967386 0.402700 0.581776 0.060 Uiso 1 1 calc R U . . .
C4A C 1.0042(12) 0.3431(4) 0.5320(4) 0.052(2) Uani 1 1 d . . . . .
C5A C 0.9817(10) 0.2944(4) 0.5288(4) 0.046(2) Uani 1 1 d . . . . .
H5A H 1.024236 0.276575 0.499070 0.055 Uiso 1 1 calc R U . . .
C6A C 0.8972(9) 0.2691(3) 0.5680(3) 0.0353(18) Uani 1 1 d . . . . .
C7A C 0.8237(18) 0.4168(4) 0.6702(6) 0.088(5) Uani 1 1 d . . . . .
H7A1 H 0.924750 0.428403 0.670105 0.132 Uiso 1 1 calc R U . . .
H7A2 H 0.783590 0.427777 0.706335 0.132 Uiso 1 1 calc R U . . .
H7A3 H 0.764097 0.429850 0.635689 0.132 Uiso 1 1 calc R U . . .
C8A C 1.0960(16) 0.3694(5) 0.4892(6) 0.083(4) Uani 1 1 d . . . . .
H8A1 H 1.200112 0.362774 0.500138 0.124 Uiso 1 1 calc R U . . .
H8A2 H 1.078267 0.404403 0.491179 0.124 Uiso 1 1 calc R U . . .
H8A3 H 1.068473 0.357846 0.448901 0.124 Uiso 1 1 calc R U . . .
C9A C 0.8862(8) 0.2173(3) 0.5626(3) 0.0337(18) Uani 1 1 d . . . . .
H9A H 0.950470 0.201435 0.538429 0.040 Uiso 1 1 calc R U . . .
C10A C 0.7975(8) 0.1401(3) 0.5855(3) 0.0332(18) Uani 1 1 d . . . . .
C11A C 0.8693(9) 0.1124(4) 0.5451(4) 0.042(2) Uani 1 1 d . . . . .
H11A H 0.917011 0.128233 0.515226 0.050 Uiso 1 1 calc R U . . .
C12A C 0.8712(12) 0.0633(4) 0.5484(5) 0.055(3) Uani 1 1 d . . . . .
H12A H 0.922664 0.045047 0.521589 0.066 Uiso 1 1 calc R U . . .
C13A C 0.7986(13) 0.0395(4) 0.5906(5) 0.062(3) Uani 1 1 d . . . . .
H13A H 0.801339 0.005036 0.592790 0.074 Uiso 1 1 calc R U . . .
C14A C 0.7215(12) 0.0657(4) 0.6298(4) 0.050(2) Uani 1 1 d . . . . .
H14A H 0.669532 0.049201 0.657936 0.060 Uiso 1 1 calc R U . . .
C15A C 0.7208(8) 0.1154(3) 0.6276(3) 0.0321(17) Uani 1 1 d . . . . .
C16A C 0.5970(8) 0.1292(3) 0.7133(3) 0.0324(18) Uani 1 1 d . . . . .
H16A H 0.612462 0.095801 0.722205 0.039 Uiso 1 1 calc R U . . .
C17A C 0.5181(8) 0.1578(3) 0.7534(3) 0.0334(18) Uani 1 1 d . . . . .
C18A C 0.5138(8) 0.2088(3) 0.7554(3) 0.0300(17) Uani 1 1 d . . . . .
C19A C 0.4221(8) 0.2302(3) 0.7940(3) 0.0311(17) Uani 1 1 d . . . . .
C20A C 0.3429(8) 0.2017(3) 0.8308(3) 0.0353(19) Uani 1 1 d . . . . .
H20A H 0.281555 0.217280 0.856392 0.042 Uiso 1 1 calc R U . . .
C21A C 0.3514(8) 0.1521(4) 0.8310(3) 0.038(2) Uani 1 1 d . . . . .
C22A C 0.4378(8) 0.1303(4) 0.7920(4) 0.038(2) Uani 1 1 d . . . . .
H22A H 0.443521 0.095848 0.791087 0.046 Uiso 1 1 calc R U . . .
C23A C 0.3090(9) 0.3023(4) 0.8252(4) 0.043(2) Uani 1 1 d . . . . .
H23A H 0.211139 0.290440 0.810988 0.065 Uiso 1 1 calc R U . . .
H23B H 0.312836 0.337584 0.819919 0.065 Uiso 1 1 calc R U . . .
H23C H 0.329674 0.294464 0.867238 0.065 Uiso 1 1 calc R U . . .
C24A C 0.2672(10) 0.1227(4) 0.8717(4) 0.053(3) Uani 1 1 d . . . . .
H24A H 0.221497 0.144381 0.898703 0.079 Uiso 1 1 calc R U . . .
H24B H 0.334108 0.100413 0.894577 0.079 Uiso 1 1 calc R U . . .
H24C H 0.191166 0.103962 0.848469 0.079 Uiso 1 1 calc R U . . .
DyB Dy 0.70792(8) 0.12960(3) 0.24915(4) 0.0379(3) Uani 0.5 1 d . . P . .
ZnB Zn 0.86262(10) 0.21204(4) 0.36056(4) 0.0358(3) Uani 1 1 d . . . . .
ClB Cl 1.0575(2) 0.18952(10) 0.42436(9) 0.0495(6) Uani 1 1 d . . . . .
O1B O 0.7350(7) 0.1524(2) 0.3451(2) 0.0384(14) Uani 1 1 d . . . . .
O2B O 0.6785(11) 0.0620(3) 0.3332(3) 0.079(3) Uani 1 1 d . U . . .
O3B O 0.9039(6) 0.1931(3) 0.2768(2) 0.0487(17) Uani 1 1 d . . . . .
O4B O 1.0812(6) 0.1521(4) 0.2079(3) 0.056(2) Uani 1 1 d . . . . .
O5B O 0.5458(13) 0.0793(4) 0.2164(4) 0.102(4) Uani 1 1 d . . . . .
N1B N 0.7027(7) 0.2376(3) 0.4118(3) 0.0339(15) Uani 1 1 d . . . . .
N2B N 0.8512(8) 0.2834(3) 0.3358(3) 0.0439(18) Uani 1 1 d . . . . .
C1B C 0.6584(9) 0.1331(3) 0.3861(3) 0.0337(18) Uani 1 1 d . . . . .
C2B C 0.6270(13) 0.0836(4) 0.3824(4) 0.055(3) Uani 1 1 d . . . . .
C3B C 0.5450(13) 0.0596(4) 0.4212(4) 0.055(3) Uani 1 1 d . . . . .
H3B H 0.527398 0.025732 0.417024 0.066 Uiso 1 1 calc R U . . .
C4B C 0.4881(11) 0.0856(4) 0.4666(4) 0.043(2) Uani 1 1 d . . . . .
C5B C 0.5137(9) 0.1345(3) 0.4707(3) 0.0339(18) Uani 1 1 d . . . . .
H5B H 0.471667 0.152361 0.500582 0.041 Uiso 1 1 calc R U . . .
C6B C 0.6011(8) 0.1597(3) 0.4319(3) 0.0295(17) Uani 1 1 d . . . . .
C7B C 0.679(2) 0.0096(5) 0.3321(7) 0.108(6) Uani 1 1 d . U . . .
H7B1 H 0.731823 -0.002631 0.368664 0.161 Uiso 1 1 calc R U . . .
H7B2 H 0.727854 -0.001673 0.298170 0.161 Uiso 1 1 calc R U . . .
H7B3 H 0.578020 -0.002373 0.328868 0.161 Uiso 1 1 calc R U . . .
C8B C 0.3909(13) 0.0613(4) 0.5078(4) 0.053(3) Uani 1 1 d . . . . .
H8B1 H 0.435231 0.064429 0.548593 0.079 Uiso 1 1 calc R U . . .
H8B2 H 0.379901 0.026910 0.497517 0.079 Uiso 1 1 calc R U . . .
H8B3 H 0.294396 0.076969 0.504025 0.079 Uiso 1 1 calc R U . . .
C9B C 0.6127(8) 0.2106(3) 0.4386(3) 0.0338(18) Uani 1 1 d . . . . .
H9B H 0.551280 0.226024 0.464253 0.041 Uiso 1 1 calc R U . . .
C10B C 0.7029(9) 0.2882(4) 0.4165(4) 0.041(2) Uani 1 1 d . . . . .
C11B C 0.6326(11) 0.3154(4) 0.4586(4) 0.047(2) Uani 1 1 d . . . . .
H11B H 0.580542 0.299058 0.486799 0.057 Uiso 1 1 calc R U . . .
C12B C 0.6391(15) 0.3645(4) 0.4590(5) 0.071(3) Uani 1 1 d . . . . .
H12B H 0.592757 0.382360 0.487669 0.085 Uiso 1 1 calc R U . . .
C13B C 0.7143(18) 0.3891(5) 0.4169(7) 0.092(5) Uani 1 1 d . . . . .
H13B H 0.715541 0.423535 0.416592 0.110 Uiso 1 1 calc R U . . .
C14B C 0.7880(15) 0.3633(5) 0.3750(6) 0.079(4) Uani 1 1 d . . . . .
H14B H 0.841656 0.379983 0.347605 0.094 Uiso 1 1 calc R U . . .
C15B C 0.7805(10) 0.3134(4) 0.3748(4) 0.049(2) Uani 1 1 d . . . . .
C16B C 0.8993(11) 0.3014(5) 0.2889(4) 0.057(3) Uani 1 1 d . . . . .
H16B H 0.881825 0.334796 0.280362 0.069 Uiso 1 1 calc R U . . .
C17B C 0.9796(10) 0.2727(5) 0.2480(4) 0.055(3) Uani 1 1 d . . . . .
C18B C 0.9848(9) 0.2226(5) 0.2452(4) 0.053(3) Uani 1 1 d . . . . .
C19B C 1.0759(9) 0.2014(5) 0.2060(4) 0.056(3) Uani 1 1 d . . . . .
C20B C 1.1546(9) 0.2297(5) 0.1695(4) 0.053(2) Uani 1 1 d . U . . .
H20B H 1.215765 0.214450 0.143611 0.063 Uiso 1 1 calc R U . . .
C21B C 1.1448(11) 0.2805(6) 0.1706(4) 0.069(4) Uani 1 1 d . . . . .
C22B C 1.0583(11) 0.3015(5) 0.2096(5) 0.064(3) Uani 1 1 d . . . . .
H22B H 1.050669 0.335841 0.210948 0.077 Uiso 1 1 calc R U . . .
C23B C 1.1902(9) 0.1294(5) 0.1761(4) 0.062(3) Uani 1 1 d . . . . .
H23D H 1.167041 0.134944 0.133669 0.094 Uiso 1 1 calc R U . . .
H23E H 1.191624 0.094436 0.184088 0.094 Uiso 1 1 calc R U . . .
H23F H 1.286503 0.143279 0.188842 0.094 Uiso 1 1 calc R U . . .
C24B C 1.2278(13) 0.3109(6) 0.1292(5) 0.090(5) Uani 1 1 d . . . . .
H24D H 1.158374 0.330534 0.103850 0.134 Uiso 1 1 calc R U . . .
H24E H 1.281993 0.289469 0.104660 0.134 Uiso 1 1 calc R U . . .
H24F H 1.296732 0.332281 0.152426 0.134 Uiso 1 1 calc R U . . .
Cl1 Cl 0.250000 0.0172(3) 0.250000 0.154(3) Uani 1 2 d S T P . .
Cl2 Cl 1.250000 0.4227(3) 0.750000 0.187(5) Uani 1 2 d S T P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
DyA O1A 2.271(5) 2_656 ?
DyA O1A 2.271(5) . ?
DyA O3A 2.343(6) 2_656 ?
DyA O3A 2.343(6) . ?
DyA O5A 2.370(7) . ?
DyA O5A 2.370(7) 2_656 ?
DyA O2A 2.692(6) 2_656 ?
DyA O2A 2.692(6) . ?
DyA ZnA 3.4937(10) . ?
DyA ZnA 3.4938(10) 2_656 ?
ZnA O1A 2.030(5) . ?
ZnA O3A 2.051(5) . ?
ZnA N2A 2.061(7) . ?
ZnA N1A 2.099(6) . ?
ZnA ClA 2.269(2) . ?
O1A C1A 1.338(8) . ?
O2A C2A 1.382(10) . ?
O2A C7A 1.414(13) . ?
O3A C18A 1.323(9) . ?
O4A C19A 1.356(11) . ?
O4A C23A 1.450(10) . ?
N1A C9A 1.272(10) . ?
N1A C10A 1.407(11) . ?
N2A C16A 1.299(10) . ?
N2A C15A 1.429(10) . ?
C1A C2A 1.361(12) . ?
C1A C6A 1.418(11) . ?
C2A C3A 1.393(12) . ?
C3A C4A 1.393(13) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.357(14) . ?
C4A C8A 1.529(13) . ?
C5A C6A 1.421(11) . ?
C5A H5A 0.9500 . ?
C6A C9A 1.436(13) . ?
C7A H7A1 0.9800 . ?
C7A H7A2 0.9800 . ?
C7A H7A3 0.9800 . ?
C8A H8A1 0.9800 . ?
C8A H8A2 0.9800 . ?
C8A H8A3 0.9800 . ?
C9A H9A 0.9500 . ?
C10A C11A 1.406(11) . ?
C10A C15A 1.415(11) . ?
C11A C12A 1.355(14) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.385(15) . ?
C12A H12A 0.9500 . ?
C13A C14A 1.392(14) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.370(13) . ?
C14A H14A 0.9500 . ?
C16A C17A 1.450(12) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.408(12) . ?
C17A C22A 1.418(11) . ?
C18A C19A 1.403(11) . ?
C19A C20A 1.400(11) . ?
C20A C21A 1.368(13) . ?
C20A H20A 0.9500 . ?
C21A C22A 1.383(12) . ?
C21A C24A 1.500(11) . ?
C22A H22A 0.9500 . ?
C23A H23A 0.9800 . ?
C23A H23B 0.9800 . ?
C23A H23C 0.9800 . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
DyB DyB 0.7689(14) 2_655 ?
DyB O3B 2.085(8) 2_655 ?
DyB O5B 2.114(12) . ?
DyB O1B 2.262(5) . ?
DyB O1B 2.341(5) 2_655 ?
DyB O3B 2.544(7) . ?
DyB O2B 2.700(8) . ?
DyB O5B 2.700(12) 2_655 ?
DyB O2B 2.904(7) 2_655 ?
DyB ZnB 3.3894(14) 2_655 ?
ZnB O1B 2.027(6) . ?
ZnB N2B 2.044(8) . ?
ZnB O3B 2.045(6) . ?
ZnB N1B 2.083(7) . ?
ZnB ClB 2.276(2) . ?
O1B C1B 1.331(9) . ?
O2B C2B 1.389(11) . ?
O2B C7B 1.444(15) . ?
O3B C18B 1.353(12) . ?
O4B C19B 1.360(15) . ?
O4B C23B 1.433(11) . ?
N1B C9B 1.306(10) . ?
N1B C10B 1.396(12) . ?
N2B C16B 1.293(12) . ?
N2B C15B 1.415(13) . ?
C1B C2B 1.395(14) . ?
C1B C6B 1.414(11) . ?
C2B C3B 1.382(13) . ?
C3B C4B 1.399(13) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.369(13) . ?
C4B C8B 1.511(12) . ?
C5B C6B 1.430(11) . ?
C5B H5B 0.9500 . ?
C6B C9B 1.412(12) . ?
C7B H7B1 0.9800 . ?
C7B H7B2 0.9800 . ?
C7B H7B3 0.9800 . ?
C8B H8B1 0.9800 . ?
C8B H8B2 0.9800 . ?
C8B H8B3 0.9800 . ?
C9B H9B 0.9500 . ?
C10B C11B 1.419(12) . ?
C10B C15B 1.422(12) . ?
C11B C12B 1.353(15) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.407(17) . ?
C12B H12B 0.9500 . ?
C13B C14B 1.411(18) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.375(16) . ?
C14B H14B 0.9500 . ?
C16B C17B 1.471(15) . ?
C16B H16B 0.9500 . ?
C17B C18B 1.384(17) . ?
C17B C22B 1.426(13) . ?
C18B C19B 1.406(14) . ?
C19B C20B 1.389(15) . ?
C20B C21B 1.403(18) . ?
C20B H20B 0.9500 . ?
C21B C22B 1.373(17) . ?
C21B C24B 1.518(15) . ?
C22B H22B 0.9500 . ?
C23B H23D 0.9800 . ?
C23B H23E 0.9800 . ?
C23B H23F 0.9800 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1A DyA O1A 144.1(3) 2_656 . ?
O1A DyA O3A 67.83(17) 2_656 2_656 ?
O1A DyA O3A 84.76(18) . 2_656 ?
O1A DyA O3A 84.76(19) 2_656 . ?
O1A DyA O3A 67.83(18) . . ?
O3A DyA O3A 81.0(3) 2_656 . ?
O1A DyA O5A 89.3(2) 2_656 . ?
O1A DyA O5A 111.7(2) . . ?
O3A DyA O5A 85.0(2) 2_656 . ?
O3A DyA O5A 165.9(2) . . ?
O1A DyA O5A 111.7(2) 2_656 2_656 ?
O1A DyA O5A 89.3(2) . 2_656 ?
O3A DyA O5A 165.9(2) 2_656 2_656 ?
O3A DyA O5A 85.0(2) . 2_656 ?
O5A DyA O5A 109.1(3) . 2_656 ?
O1A DyA O2A 60.21(19) 2_656 2_656 ?
O1A DyA O2A 154.1(2) . 2_656 ?
O3A DyA O2A 120.24(19) 2_656 2_656 ?
O3A DyA O2A 119.36(19) . 2_656 ?
O5A DyA O2A 67.6(2) . 2_656 ?
O5A DyA O2A 67.8(2) 2_656 2_656 ?
O1A DyA O2A 154.1(2) 2_656 . ?
O1A DyA O2A 60.21(19) . . ?
O3A DyA O2A 119.36(19) 2_656 . ?
O3A DyA O2A 120.24(19) . . ?
O5A DyA O2A 67.8(2) . . ?
O5A DyA O2A 67.6(2) 2_656 . ?
O2A DyA O2A 98.4(3) 2_656 . ?
O1A DyA ZnA 115.24(14) 2_656 . ?
O1A DyA ZnA 33.43(13) . . ?
O3A DyA ZnA 79.44(13) 2_656 . ?
O3A DyA ZnA 34.51(12) . . ?
O5A DyA ZnA 142.52(16) . . ?
O5A DyA ZnA 88.56(18) 2_656 . ?
O2A DyA ZnA 148.71(16) 2_656 . ?
O2A DyA ZnA 90.63(14) . . ?
O1A DyA ZnA 33.43(13) 2_656 2_656 ?
O1A DyA ZnA 115.24(14) . 2_656 ?
O3A DyA ZnA 34.51(12) 2_656 2_656 ?
O3A DyA ZnA 79.44(13) . 2_656 ?
O5A DyA ZnA 88.56(18) . 2_656 ?
O5A DyA ZnA 142.52(16) 2_656 2_656 ?
O2A DyA ZnA 90.63(14) 2_656 2_656 ?
O2A DyA ZnA 148.71(16) . 2_656 ?
ZnA DyA ZnA 97.06(3) . 2_656 ?
O1A ZnA O3A 78.3(2) . . ?
O1A ZnA N2A 134.1(2) . . ?
O3A ZnA N2A 89.3(2) . . ?
O1A ZnA N1A 86.9(2) . . ?
O3A ZnA N1A 145.8(2) . . ?
N2A ZnA N1A 79.2(3) . . ?
O1A ZnA ClA 108.39(17) . . ?
O3A ZnA ClA 107.98(16) . . ?
N2A ZnA ClA 117.42(18) . . ?
N1A ZnA ClA 105.93(17) . . ?
O1A ZnA DyA 38.04(14) . . ?
O3A ZnA DyA 40.35(15) . . ?
N2A ZnA DyA 115.00(17) . . ?
N1A ZnA DyA 117.47(17) . . ?
ClA ZnA DyA 116.15(7) . . ?
C1A O1A ZnA 121.7(5) . . ?
C1A O1A DyA 129.5(5) . . ?
ZnA O1A DyA 108.5(2) . . ?
C2A O2A C7A 116.3(8) . . ?
C2A O2A DyA 114.4(5) . . ?
C7A O2A DyA 129.1(6) . . ?
C18A O3A ZnA 121.9(5) . . ?
C18A O3A DyA 131.0(5) . . ?
ZnA O3A DyA 105.1(2) . . ?
C19A O4A C23A 116.1(6) . . ?
C9A N1A C10A 122.9(7) . . ?
C9A N1A ZnA 124.9(6) . . ?
C10A N1A ZnA 112.2(5) . . ?
C16A N2A C15A 121.5(7) . . ?
C16A N2A ZnA 124.9(6) . . ?
C15A N2A ZnA 113.7(5) . . ?
O1A C1A C2A 117.3(7) . . ?
O1A C1A C6A 123.3(8) . . ?
C2A C1A C6A 119.2(7) . . ?
C1A C2A O2A 113.0(7) . . ?
C1A C2A C3A 122.1(8) . . ?
O2A C2A C3A 124.9(8) . . ?
C4A C3A C2A 119.8(9) . . ?
C4A C3A H3A 120.1 . . ?
C2A C3A H3A 120.1 . . ?
C5A C4A C3A 118.6(8) . . ?
C5A C4A C8A 121.6(9) . . ?
C3A C4A C8A 119.6(10) . . ?
C4A C5A C6A 122.8(9) . . ?
C4A C5A H5A 118.6 . . ?
C6A C5A H5A 118.6 . . ?
C1A C6A C5A 117.3(8) . . ?
C1A C6A C9A 124.2(7) . . ?
C5A C6A C9A 118.2(8) . . ?
O2A C7A H7A1 109.5 . . ?
O2A C7A H7A2 109.5 . . ?
H7A1 C7A H7A2 109.5 . . ?
O2A C7A H7A3 109.5 . . ?
H7A1 C7A H7A3 109.5 . . ?
H7A2 C7A H7A3 109.5 . . ?
C4A C8A H8A1 109.5 . . ?
C4A C8A H8A2 109.5 . . ?
H8A1 C8A H8A2 109.5 . . ?
C4A C8A H8A3 109.5 . . ?
H8A1 C8A H8A3 109.5 . . ?
H8A2 C8A H8A3 109.5 . . ?
N1A C9A C6A 124.6(7) . . ?
N1A C9A H9A 117.7 . . ?
C6A C9A H9A 117.7 . . ?
C11A C10A N1A 124.9(8) . . ?
C11A C10A C15A 118.4(8) . . ?
N1A C10A C15A 116.7(7) . . ?
C12A C11A C10A 120.7(9) . . ?
C12A C11A H11A 119.7 . . ?
C10A C11A H11A 119.7 . . ?
C11A C12A C13A 120.4(9) . . ?
C11A C12A H12A 119.8 . . ?
C13A C12A H12A 119.8 . . ?
C12A C13A C14A 120.4(10) . . ?
C12A C13A H13A 119.8 . . ?
C14A C13A H13A 119.8 . . ?
C15A C14A C13A 119.7(9) . . ?
C15A C14A H14A 120.1 . . ?
C13A C14A H14A 120.1 . . ?
C14A C15A C10A 120.3(8) . . ?
C14A C15A N2A 124.7(8) . . ?
C10A C15A N2A 115.0(7) . . ?
N2A C16A C17A 124.6(8) . . ?
N2A C16A H16A 117.7 . . ?
C17A C16A H16A 117.7 . . ?
C18A C17A C22A 119.7(8) . . ?
C18A C17A C16A 125.4(7) . . ?
C22A C17A C16A 114.9(8) . . ?
O3A C18A C19A 119.2(8) . . ?
O3A C18A C17A 123.5(7) . . ?
C19A C18A C17A 117.4(7) . . ?
O4A C19A C20A 124.2(7) . . ?
O4A C19A C18A 114.7(7) . . ?
C20A C19A C18A 121.1(8) . . ?
C21A C20A C19A 121.9(8) . . ?
C21A C20A H20A 119.1 . . ?
C19A C20A H20A 119.1 . . ?
C20A C21A C22A 118.0(8) . . ?
C20A C21A C24A 120.6(8) . . ?
C22A C21A C24A 121.4(9) . . ?
C21A C22A C17A 121.9(9) . . ?
C21A C22A H22A 119.1 . . ?
C17A C22A H22A 119.1 . . ?
O4A C23A H23A 109.5 . . ?
O4A C23A H23B 109.5 . . ?
H23A C23A H23B 109.5 . . ?
O4A C23A H23C 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C21A C24A H24A 109.5 . . ?
C21A C24A H24B 109.5 . . ?
H24A C24A H24B 109.5 . . ?
C21A C24A H24C 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
DyB DyB O3B 118.56(17) 2_655 2_655 ?
DyB DyB O5B 133.3(3) 2_655 . ?
O3B DyB O5B 98.1(3) 2_655 . ?
DyB DyB O1B 86.3(2) 2_655 . ?
O3B DyB O1B 92.6(2) 2_655 . ?
O5B DyB O1B 122.0(3) . . ?
DyB DyB O1B 74.58(19) 2_655 2_655 ?
O3B DyB O1B 70.3(2) 2_655 2_655 ?
O5B DyB O1B 93.8(3) . 2_655 ?
O1B DyB O1B 142.7(3) . 2_655 ?
DyB DyB O3B 46.05(15) 2_655 . ?
O3B DyB O3B 79.0(3) 2_655 . ?
O5B DyB O3B 173.7(2) . . ?
O1B DyB O3B 63.97(19) . . ?
O1B DyB O3B 80.00(19) 2_655 . ?
DyB DyB O2B 97.6(2) 2_655 . ?
O3B DyB O2B 134.3(2) 2_655 . ?
O5B DyB O2B 71.5(3) . . ?
O1B DyB O2B 61.2(2) . . ?
O1B DyB O2B 151.6(2) 2_655 . ?
O3B DyB O2B 114.6(2) . . ?
DyB DyB O5B 34.8(2) 2_655 2_655 ?
O3B DyB O5B 152.6(3) 2_655 2_655 ?
O5B DyB O5B 107.7(5) . 2_655 ?
O1B DyB O5B 81.5(2) . 2_655 ?
O1B DyB O5B 98.5(2) 2_655 2_655 ?
O3B DyB O5B 74.4(3) . 2_655 ?
O2B DyB O5B 65.1(3) . 2_655 ?
DyB DyB O2B 67.1(2) 2_655 2_655 ?
O3B DyB O2B 123.6(2) 2_655 2_655 ?
O5B DyB O2B 68.7(3) . 2_655 ?
O1B DyB O2B 142.0(2) . 2_655 ?
O1B DyB O2B 57.0(2) 2_655 2_655 ?
O3B DyB O2B 108.1(2) . 2_655 ?
O2B DyB O2B 94.7(3) . 2_655 ?
O5B DyB O2B 61.0(3) 2_655 2_655 ?
DyB DyB ZnB 98.99(10) 2_655 2_655 ?
O3B DyB ZnB 34.46(14) 2_655 2_655 ?
O5B DyB ZnB 95.9(3) . 2_655 ?
O1B DyB ZnB 121.29(16) . 2_655 ?
O1B DyB ZnB 35.88(15) 2_655 2_655 ?
O3B DyB ZnB 78.51(13) . 2_655 ?
O2B DyB ZnB 163.3(2) . 2_655 ?
O5B DyB ZnB 130.70(18) 2_655 2_655 ?
O2B DyB ZnB 90.56(16) 2_655 2_655 ?
O1B ZnB N2B 135.9(3) . . ?
O1B ZnB O3B 77.8(2) . . ?
N2B ZnB O3B 89.9(3) . . ?
O1B ZnB N1B 86.9(3) . . ?
N2B ZnB N1B 79.0(3) . . ?
O3B ZnB N1B 144.2(2) . . ?
O1B ZnB ClB 107.10(19) . . ?
N2B ZnB ClB 117.0(2) . . ?
O3B ZnB ClB 108.65(18) . . ?
N1B ZnB ClB 106.68(18) . . ?
O1B ZnB DyB 42.60(14) . 2_655 ?
N2B ZnB DyB 116.1(2) . 2_655 ?
O3B ZnB DyB 35.2(2) . 2_655 ?
N1B ZnB DyB 123.00(19) . 2_655 ?
ClB ZnB DyB 111.64(8) . 2_655 ?
C1B O1B ZnB 122.5(5) . . ?
C1B O1B DyB 123.3(5) . . ?
ZnB O1B DyB 113.6(2) . . ?
C1B O1B DyB 135.6(5) . 2_655 ?
ZnB O1B DyB 101.5(2) . 2_655 ?
DyB O1B DyB 19.13(6) . 2_655 ?
C2B O2B C7B 116.3(8) . . ?
C2B O2B DyB 109.9(6) . . ?
C7B O2B DyB 132.6(6) . . ?
C2B O2B DyB 114.6(6) . 2_655 ?
C7B O2B DyB 128.9(6) . 2_655 ?
DyB O2B DyB 15.22(5) . 2_655 ?
C18B O3B ZnB 120.2(7) . . ?
C18B O3B DyB 129.3(6) . 2_655 ?
ZnB O3B DyB 110.3(3) . 2_655 ?
C18B O3B DyB 133.8(6) . . ?
ZnB O3B DyB 102.4(2) . . ?
DyB O3B DyB 15.40(6) 2_655 . ?
C19B O4B C23B 116.4(8) . . ?
DyB O5B DyB 11.97(9) . 2_655 ?
C9B N1B C10B 122.0(7) . . ?
C9B N1B ZnB 125.3(6) . . ?
C10B N1B ZnB 112.6(5) . . ?
C16B N2B C15B 120.4(9) . . ?
C16B N2B ZnB 125.8(8) . . ?
C15B N2B ZnB 113.8(6) . . ?
O1B C1B C2B 117.9(7) . . ?
O1B C1B C6B 124.6(8) . . ?
C2B C1B C6B 117.5(7) . . ?
C3B C2B O2B 123.9(10) . . ?
C3B C2B C1B 123.4(8) . . ?
O2B C2B C1B 112.5(8) . . ?
C2B C3B C4B 119.4(9) . . ?
C2B C3B H3B 120.3 . . ?
C4B C3B H3B 120.3 . . ?
C5B C4B C3B 118.8(8) . . ?
C5B C4B C8B 120.0(8) . . ?
C3B C4B C8B 121.1(9) . . ?
C4B C5B C6B 122.5(8) . . ?
C4B C5B H5B 118.7 . . ?
C6B C5B H5B 118.7 . . ?
C9B C6B C1B 124.3(7) . . ?
C9B C6B C5B 117.1(7) . . ?
C1B C6B C5B 118.3(8) . . ?
O2B C7B H7B1 109.5 . . ?
O2B C7B H7B2 109.5 . . ?
H7B1 C7B H7B2 109.5 . . ?
O2B C7B H7B3 109.5 . . ?
H7B1 C7B H7B3 109.5 . . ?
H7B2 C7B H7B3 109.5 . . ?
C4B C8B H8B1 109.5 . . ?
C4B C8B H8B2 109.5 . . ?
H8B1 C8B H8B2 109.5 . . ?
C4B C8B H8B3 109.5 . . ?
H8B1 C8B H8B3 109.5 . . ?
H8B2 C8B H8B3 109.5 . . ?
N1B C9B C6B 124.1(7) . . ?
N1B C9B H9B 118.0 . . ?
C6B C9B H9B 118.0 . . ?
N1B C10B C11B 125.6(8) . . ?
N1B C10B C15B 115.7(8) . . ?
C11B C10B C15B 118.7(9) . . ?
C12B C11B C10B 120.7(9) . . ?
C12B C11B H11B 119.6 . . ?
C10B C11B H11B 119.6 . . ?
C11B C12B C13B 120.0(11) . . ?
C11B C12B H12B 120.0 . . ?
C13B C12B H12B 120.0 . . ?
C12B C13B C14B 121.0(12) . . ?
C12B C13B H13B 119.5 . . ?
C14B C13B H13B 119.5 . . ?
C15B C14B C13B 118.6(10) . . ?
C15B C14B H14B 120.7 . . ?
C13B C14B H14B 120.7 . . ?
C14B C15B N2B 124.1(9) . . ?
C14B C15B C10B 120.9(10) . . ?
N2B C15B C10B 114.9(9) . . ?
N2B C16B C17B 123.1(11) . . ?
N2B C16B H16B 118.4 . . ?
C17B C16B H16B 118.4 . . ?
C18B C17B C22B 120.2(10) . . ?
C18B C17B C16B 126.0(9) . . ?
C22B C17B C16B 113.8(12) . . ?
O3B C18B C17B 123.4(9) . . ?
O3B C18B C19B 118.6(12) . . ?
C17B C18B C19B 118.0(10) . . ?
O4B C19B C20B 124.0(10) . . ?
O4B C19B C18B 114.6(10) . . ?
C20B C19B C18B 121.4(13) . . ?
C19B C20B C21B 120.7(10) . . ?
C19B C20B H20B 119.6 . . ?
C21B C20B H20B 119.6 . . ?
C22B C21B C20B 118.2(10) . . ?
C22B C21B C24B 121.6(14) . . ?
C20B C21B C24B 120.2(12) . . ?
C21B C22B C17B 121.3(13) . . ?
C21B C22B H22B 119.3 . . ?
C17B C22B H22B 119.3 . . ?
O4B C23B H23D 109.5 . . ?
O4B C23B H23E 109.5 . . ?
H23D C23B H23E 109.5 . . ?
O4B C23B H23F 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
C21B C24B H24D 109.5 . . ?
C21B C24B H24E 109.5 . . ?
H24D C24B H24E 109.5 . . ?
C21B C24B H24F 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?

_refine_diff_density_max         2.185
_refine_diff_density_min         -2.127
_refine_diff_density_rms         0.160


####################################################################### 
# 
# 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. 
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#######################################################################

data_complex-3
_database_code_depnum_ccdc_archive 'CCDC 2162010'
loop_
_audit_author_name
_audit_author_address
Panja
;Gokhale Memorial Girls College
India
;
_audit_update_record             
;
2022-06-09 deposited with the CCDC.	2022-06-14 downloaded from the CCDC.
;
_audit_creation_date             2022-06-09
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H48 Dy I2 N4 O10 Zn2'
_chemical_formula_sum            'C48 H48 Dy I2 N4 O10 Zn2'
_chemical_formula_weight         1387.98
_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'
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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   17.1795(16)
_cell_length_b                   15.9207(13)
_cell_length_c                   19.9771(19)
_cell_angle_alpha                90
_cell_angle_beta                 91.333(4)
_cell_angle_gamma                90
_cell_volume                     5462.5(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    512
_cell_measurement_temperature    150(2)
_cell_measurement_theta_min      2.98
_cell_measurement_theta_max      25.10
_shelx_estimated_absorpt_T_max   0.904
_shelx_estimated_absorpt_T_min   0.577
_exptl_absorpt_coefficient_mu    3.428
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5842
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.688
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2956
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_av_unetI/netI     0.0149
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            76043
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.165
_diffrn_reflns_theta_min         2.663
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'photon 100 CMOS'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6835
_reflns_number_total             7350
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_data_collection       'Bruker Smart'
_computing_cell_refinement       'Bruker Smart'
_computing_data_reduction        'Bruker Saint'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Mercury (Macrae et al 2008)'
_computing_publication_material  'SHELXL-2016/4 (Sheldrick, 2016'

_refine_diff_density_max         0.670
_refine_diff_density_min         -0.950
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         7350
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0245
_refine_ls_restrained_S_all      1.029
_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)+(0.0279P)²+29.7285P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0636
_refine_ls_wR_factor_ref         0.0658
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed X: H5A(0.441999) H5B(0.459429)
 Fixed Y: H5A(0.737529) H5B(0.66071)
 Fixed Z: H5A(0.6477) H5B(0.622601)
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C9(H9), C11(H11), C12(H12), C13(H13), C14(H14), C16(H16),
 C20(H20), C22(H22)
3.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C)
;
_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
Dy1 Dy 0.500000 0.60862(2) 0.750000 0.01679(5) Uani 1 2 d S T P . .
Zn1 Zn 0.36192(2) 0.45479(2) 0.70885(2) 0.01586(6) Uani 1 1 d . . . . .
O1 O 0.37914(10) 0.55642(11) 0.76829(9) 0.0173(3) Uani 1 1 d . . . . .
O2 O 0.39054(11) 0.71274(11) 0.79442(10) 0.0212(4) Uani 1 1 d . . . . .
O3 O 0.46679(10) 0.49857(11) 0.67656(9) 0.0171(3) Uani 1 1 d . . . . .
O4 O 0.54187(11) 0.58130(12) 0.58441(9) 0.0194(4) Uani 1 1 d . . . . .
N1 N 0.30173(12) 0.40447(13) 0.78884(11) 0.0166(4) Uani 1 1 d . . . . .
N2 N 0.40703(12) 0.33506(13) 0.71120(10) 0.0162(4) Uani 1 1 d . . . . .
C1 C 0.32543(14) 0.58634(16) 0.80911(12) 0.0154(4) Uani 1 1 d . . . . .
C2 C 0.32860(15) 0.67286(16) 0.82413(13) 0.0176(5) Uani 1 1 d . . . . .
C3 C 0.27586(15) 0.71034(16) 0.86559(13) 0.0184(5) Uani 1 1 d . . . . .
H3 H 0.278295 0.769103 0.873616 0.022 Uiso 1 1 calc R U . . .
C4 C 0.21805(15) 0.66114(17) 0.89620(13) 0.0201(5) Uani 1 1 d . . . . .
C5 C 0.21639(15) 0.57612(17) 0.88404(13) 0.0197(5) Uani 1 1 d . . . . .
H5 H 0.178976 0.542484 0.905831 0.024 Uiso 1 1 calc R U . . .
C6 C 0.26875(15) 0.53729(16) 0.84006(13) 0.0172(5) Uani 1 1 d . . . . .
C7 C 0.39582(17) 0.80180(17) 0.80438(16) 0.0264(6) Uani 1 1 d . . . . .
H7A H 0.346947 0.828351 0.789491 0.040 Uiso 1 1 calc R U . . .
H7B H 0.438833 0.824259 0.778440 0.040 Uiso 1 1 calc R U . . .
H7C H 0.405274 0.813638 0.852020 0.040 Uiso 1 1 calc R U . . .
C8 C 0.16253(17) 0.70174(19) 0.94397(15) 0.0270(6) Uani 1 1 d . . . . .
H8A H 0.110121 0.678863 0.936281 0.041 Uiso 1 1 calc R U . . .
H8B H 0.161709 0.762564 0.936477 0.041 Uiso 1 1 calc R U . . .
H8C H 0.179728 0.690120 0.990168 0.041 Uiso 1 1 calc R U . . .
C9 C 0.26590(15) 0.44629(16) 0.83371(13) 0.0179(5) Uani 1 1 d . . . . .
H9 H 0.235643 0.415871 0.864686 0.021 Uiso 1 1 calc R U . . .
C10 C 0.30472(15) 0.31546(15) 0.78921(12) 0.0170(5) Uani 1 1 d . . . . .
C11 C 0.25580(16) 0.26460(17) 0.82678(13) 0.0209(5) Uani 1 1 d . . . . .
H11 H 0.215440 0.289093 0.851985 0.025 Uiso 1 1 calc R U . . .
C12 C 0.26640(17) 0.17848(17) 0.82709(14) 0.0241(5) Uani 1 1 d . . . . .
H12 H 0.233234 0.143881 0.852657 0.029 Uiso 1 1 calc R U . . .
C13 C 0.32544(17) 0.14208(17) 0.79013(14) 0.0230(5) Uani 1 1 d . . . . .
H13 H 0.333215 0.083025 0.791654 0.028 Uiso 1 1 calc R U . . .
C14 C 0.37282(16) 0.19164(16) 0.75120(13) 0.0207(5) Uani 1 1 d . . . . .
H14 H 0.412402 0.166466 0.725515 0.025 Uiso 1 1 calc R U . . .
C15 C 0.36236(15) 0.27859(16) 0.74972(12) 0.0168(5) Uani 1 1 d . . . . .
C16 C 0.46504(15) 0.31073(16) 0.67615(12) 0.0180(5) Uani 1 1 d . . . . .
H16 H 0.478139 0.252779 0.677785 0.022 Uiso 1 1 calc R U . . .
C17 C 0.51182(15) 0.36436(16) 0.63457(12) 0.0169(5) Uani 1 1 d . . . . .
C18 C 0.50806(15) 0.45329(16) 0.63382(12) 0.0162(4) Uani 1 1 d . . . . .
C19 C 0.55148(14) 0.49549(16) 0.58473(12) 0.0169(5) Uani 1 1 d . . . . .
C20 C 0.59957(15) 0.45289(17) 0.54229(13) 0.0195(5) Uani 1 1 d . . . . .
H20 H 0.628142 0.483228 0.510095 0.023 Uiso 1 1 calc R U . . .
C21 C 0.60700(16) 0.36471(17) 0.54596(13) 0.0202(5) Uani 1 1 d . . . . .
C22 C 0.56245(15) 0.32221(17) 0.59114(13) 0.0196(5) Uani 1 1 d . . . . .
H22 H 0.565828 0.262703 0.593210 0.024 Uiso 1 1 calc R U . . .
C23 C 0.58112(16) 0.62691(17) 0.53286(13) 0.0223(5) Uani 1 1 d . . . . .
H23A H 0.637537 0.620103 0.538968 0.033 Uiso 1 1 calc R U . . .
H23B H 0.567706 0.686613 0.535670 0.033 Uiso 1 1 calc R U . . .
H23C H 0.564831 0.605037 0.488872 0.033 Uiso 1 1 calc R U . . .
C24 C 0.66393(18) 0.3202(2) 0.50189(15) 0.0294(6) Uani 1 1 d . . . . .
H24A H 0.716832 0.339814 0.512641 0.044 Uiso 1 1 calc R U . . .
H24B H 0.651141 0.332406 0.454820 0.044 Uiso 1 1 calc R U . . .
H24C H 0.660813 0.259527 0.509556 0.044 Uiso 1 1 calc R U . . .
I1 I 0.26518(2) 0.45649(2) 0.60575(2) 0.02286(5) Uani 1 1 d . . . . .
O5 O 0.44666(13) 0.68263(14) 0.65780(11) 0.0275(4) Uani 1 1 d . . . . .
H5A H 0.441999 0.737529 0.647700 0.086(19) Uiso 1 1 d . . . . .
H5B H 0.459429 0.660710 0.622601 0.11(2) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Zn1 3.4943(4) . ?
Dy1 Zn1 3.4943(4) 2_656 ?
Dy1 O1 2.2739(18) . ?
Dy1 O1 2.2739(18) 2_656 ?
Dy1 O2 2.6738(18) . ?
Dy1 O2 2.6739(18) 2_656 ?
Dy1 O3 2.3471(18) 2_656 ?
Dy1 O3 2.3470(18) . ?
Dy1 O5 2.354(2) . ?
Dy1 O5 2.354(2) 2_656 ?
Zn1 O1 2.0247(18) . ?
Zn1 O3 2.0499(18) . ?
Zn1 N1 2.084(2) . ?
Zn1 N2 2.058(2) . ?
Zn1 I1 2.6164(4) . ?
O1 C1 1.333(3) . ?
O2 C2 1.385(3) . ?
O2 C7 1.434(3) . ?
O3 C18 1.334(3) . ?
O4 C19 1.376(3) . ?
O4 C23 1.440(3) . ?
N1 C9 1.285(3) . ?
N1 C10 1.418(3) . ?
N2 C15 1.420(3) . ?
N2 C16 1.291(3) . ?
C1 C2 1.411(3) . ?
C1 C6 1.403(3) . ?
C2 C3 1.378(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.415(4) . ?
C4 C5 1.375(4) . ?
C4 C8 1.510(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.414(3) . ?
C6 C9 1.455(3) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9 0.9500 . ?
C10 C11 1.398(3) . ?
C10 C15 1.409(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.383(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.394(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.385(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.396(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.448(3) . ?
C17 C18 1.417(3) . ?
C17 C22 1.412(3) . ?
C18 C19 1.415(3) . ?
C19 C20 1.376(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.411(4) . ?
C21 C22 1.375(4) . ?
C21 C24 1.508(4) . ?
C22 H22 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
O5 H5A 0.900(2) . ?
O5 H5B 0.819(2) . ?

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
Zn1 Dy1 Zn1 91.007(13) 2_656 . ?
O1 Dy1 Zn1 33.31(4) . . ?
O1 Dy1 Zn1 33.31(4) 2_656 2_656 ?
O1 Dy1 Zn1 108.87(5) . 2_656 ?
O1 Dy1 Zn1 108.87(5) 2_656 . ?
O1 Dy1 O1 137.13(9) . 2_656 ?
O1 Dy1 O2 158.72(6) 2_656 . ?
O1 Dy1 O2 61.40(6) 2_656 2_656 ?
O1 Dy1 O2 61.40(6) . . ?
O1 Dy1 O2 158.72(6) . 2_656 ?
O1 Dy1 O3 67.55(6) . . ?
O1 Dy1 O3 67.55(6) 2_656 2_656 ?
O1 Dy1 O3 80.58(6) . 2_656 ?
O1 Dy1 O3 80.58(6) 2_656 . ?
O1 Dy1 O5 113.42(7) . 2_656 ?
O1 Dy1 O5 113.42(7) 2_656 . ?
O1 Dy1 O5 88.19(7) 2_656 2_656 ?
O1 Dy1 O5 88.19(7) . . ?
O2 Dy1 Zn1 146.64(4) . 2_656 ?
O2 Dy1 Zn1 91.93(4) 2_656 2_656 ?
O2 Dy1 Zn1 91.93(4) . . ?
O2 Dy1 Zn1 146.64(4) 2_656 . ?
O2 Dy1 O2 103.37(8) . 2_656 ?
O3 Dy1 Zn1 77.16(5) . 2_656 ?
O3 Dy1 Zn1 77.16(5) 2_656 . ?
O3 Dy1 Zn1 34.51(4) . . ?
O3 Dy1 Zn1 34.51(4) 2_656 2_656 ?
O3 Dy1 O2 120.51(6) . . ?
O3 Dy1 O2 120.51(6) 2_656 2_656 ?
O3 Dy1 O2 114.70(6) . 2_656 ?
O3 Dy1 O2 114.70(6) 2_656 . ?
O3 Dy1 O3 83.43(9) . 2_656 ?
O3 Dy1 O5 78.46(7) 2_656 2_656 ?
O3 Dy1 O5 78.46(7) . . ?
O3 Dy1 O5 161.30(7) 2_656 . ?
O3 Dy1 O5 161.30(7) . 2_656 ?
O5 Dy1 Zn1 141.68(5) 2_656 . ?
O5 Dy1 Zn1 85.23(6) 2_656 2_656 ?
O5 Dy1 Zn1 141.69(5) . 2_656 ?
O5 Dy1 Zn1 85.24(6) . . ?
O5 Dy1 O2 71.67(7) 2_656 2_656 ?
O5 Dy1 O2 72.18(7) . 2_656 ?
O5 Dy1 O2 71.66(7) . . ?
O5 Dy1 O2 72.18(7) 2_656 . ?
O5 Dy1 O5 119.94(11) . 2_656 ?
O1 Zn1 Dy1 38.07(5) . . ?
O1 Zn1 O3 78.19(7) . . ?
O1 Zn1 N1 85.74(8) . . ?
O1 Zn1 N2 132.61(8) . . ?
O1 Zn1 I1 122.34(5) . . ?
O3 Zn1 Dy1 40.44(5) . . ?
O3 Zn1 N1 145.85(8) . . ?
O3 Zn1 N2 89.36(8) . . ?
O3 Zn1 I1 107.19(5) . . ?
N1 Zn1 Dy1 115.81(6) . . ?
N1 Zn1 I1 106.87(6) . . ?
N2 Zn1 Dy1 112.99(6) . . ?
N2 Zn1 N1 79.61(8) . . ?
N2 Zn1 I1 105.04(6) . . ?
I1 Zn1 Dy1 126.388(11) . . ?
Zn1 O1 Dy1 108.62(7) . . ?
C1 O1 Dy1 127.96(15) . . ?
C1 O1 Zn1 123.39(16) . . ?
C2 O2 Dy1 114.29(14) . . ?
C2 O2 C7 116.1(2) . . ?
C7 O2 Dy1 128.04(16) . . ?
Zn1 O3 Dy1 105.06(7) . . ?
C18 O3 Dy1 132.72(16) . . ?
C18 O3 Zn1 120.11(15) . . ?
C19 O4 C23 116.5(2) . . ?
C9 N1 Zn1 126.17(18) . . ?
C9 N1 C10 122.1(2) . . ?
C10 N1 Zn1 111.70(16) . . ?
C15 N2 Zn1 113.01(16) . . ?
C16 N2 Zn1 124.11(17) . . ?
C16 N2 C15 122.5(2) . . ?
O1 C1 C2 117.1(2) . . ?
O1 C1 C6 124.6(2) . . ?
C6 C1 C2 118.3(2) . . ?
O2 C2 C1 112.5(2) . . ?
C3 C2 O2 125.6(2) . . ?
C3 C2 C1 121.9(2) . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.9(2) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 C8 119.8(2) . . ?
C5 C4 C3 118.7(2) . . ?
C5 C4 C8 121.5(2) . . ?
C4 C5 H5 119.0 . . ?
C4 C5 C6 121.9(2) . . ?
C6 C5 H5 119.0 . . ?
C1 C6 C5 119.2(2) . . ?
C1 C6 C9 122.5(2) . . ?
C5 C6 C9 118.0(2) . . ?
O2 C7 H7A 109.5 . . ?
O2 C7 H7B 109.5 . . ?
O2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 C6 124.1(2) . . ?
N1 C9 H9 117.9 . . ?
C6 C9 H9 117.9 . . ?
C11 C10 N1 124.0(2) . . ?
C11 C10 C15 119.9(2) . . ?
C15 C10 N1 116.1(2) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 C10 119.7(3) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.5(2) . . ?
C13 C12 H12 119.8 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.3(2) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.0(2) . . ?
C15 C14 H14 120.0 . . ?
C10 C15 N2 115.8(2) . . ?
C14 C15 N2 124.6(2) . . ?
C14 C15 C10 119.6(2) . . ?
N2 C16 H16 117.3 . . ?
N2 C16 C17 125.5(2) . . ?
C17 C16 H16 117.3 . . ?
C18 C17 C16 124.7(2) . . ?
C22 C17 C16 115.5(2) . . ?
C22 C17 C18 119.8(2) . . ?
O3 C18 C17 123.9(2) . . ?
O3 C18 C19 118.9(2) . . ?
C19 C18 C17 117.2(2) . . ?
O4 C19 C18 114.2(2) . . ?
C20 C19 O4 124.1(2) . . ?
C20 C19 C18 121.8(2) . . ?
C19 C20 H20 119.6 . . ?
C19 C20 C21 120.9(2) . . ?
C21 C20 H20 119.6 . . ?
C20 C21 C24 119.7(2) . . ?
C22 C21 C20 118.2(2) . . ?
C22 C21 C24 122.1(3) . . ?
C17 C22 H22 119.0 . . ?
C21 C22 C17 122.0(2) . . ?
C21 C22 H22 119.0 . . ?
O4 C23 H23A 109.5 . . ?
O4 C23 H23B 109.5 . . ?
O4 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Dy1 O5 H5A 133.81(19) . . ?
Dy1 O5 H5B 110.55(17) . . ?
H5A O5 H5B 104.2(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
Dy1 O1 C1 C2 25.5(3) . . . . ?
Dy1 O1 C1 C6 -151.6(2) . . . . ?
Dy1 O2 C2 C1 -15.9(3) . . . . ?
Dy1 O2 C2 C3 162.3(2) . . . . ?
Dy1 O3 C18 C17 125.1(2) . . . . ?
Dy1 O3 C18 C19 -54.5(3) . . . . ?
Zn1 O1 C1 C2 -152.44(18) . . . . ?
Zn1 O1 C1 C6 30.5(3) . . . . ?
Zn1 O3 C18 C17 -35.7(3) . . . . ?
Zn1 O3 C18 C19 144.71(19) . . . . ?
Zn1 N1 C9 C6 -7.0(4) . . . . ?
Zn1 N1 C10 C11 -164.7(2) . . . . ?
Zn1 N1 C10 C15 16.7(3) . . . . ?
Zn1 N2 C15 C10 -11.2(3) . . . . ?
Zn1 N2 C15 C14 169.6(2) . . . . ?
Zn1 N2 C16 C17 5.8(4) . . . . ?
O1 C1 C2 O2 -1.9(3) . . . . ?
O1 C1 C2 C3 179.8(2) . . . . ?
O1 C1 C6 C5 178.0(2) . . . . ?
O1 C1 C6 C9 3.9(4) . . . . ?
O2 C2 C3 C4 -175.9(2) . . . . ?
O3 C18 C19 O4 -3.8(3) . . . . ?
O3 C18 C19 C20 175.3(2) . . . . ?
O4 C19 C20 C21 179.4(2) . . . . ?
N1 C10 C11 C12 -176.0(3) . . . . ?
N1 C10 C15 N2 -3.8(3) . . . . ?
N1 C10 C15 C14 175.4(2) . . . . ?
N2 C16 C17 C18 9.7(4) . . . . ?
N2 C16 C17 C22 -168.5(3) . . . . ?
C1 C2 C3 C4 2.2(4) . . . . ?
C1 C6 C9 N1 -16.4(4) . . . . ?
C2 C1 C6 C5 1.0(4) . . . . ?
C2 C1 C6 C9 -173.2(2) . . . . ?
C2 C3 C4 C5 0.5(4) . . . . ?
C2 C3 C4 C8 177.3(3) . . . . ?
C3 C4 C5 C6 -2.4(4) . . . . ?
C4 C5 C6 C1 1.6(4) . . . . ?
C4 C5 C6 C9 176.1(3) . . . . ?
C5 C6 C9 N1 169.4(3) . . . . ?
C6 C1 C2 O2 175.4(2) . . . . ?
C6 C1 C2 C3 -2.9(4) . . . . ?
C7 O2 C2 C1 177.0(2) . . . . ?
C7 O2 C2 C3 -4.8(4) . . . . ?
C8 C4 C5 C6 -179.2(3) . . . . ?
C9 N1 C10 C11 15.7(4) . . . . ?
C9 N1 C10 C15 -163.0(2) . . . . ?
C10 N1 C9 C6 172.5(2) . . . . ?
C10 C11 C12 C13 -0.1(4) . . . . ?
C11 C10 C15 N2 177.5(2) . . . . ?
C11 C10 C15 C14 -3.3(4) . . . . ?
C11 C12 C13 C14 -1.8(4) . . . . ?
C12 C13 C14 C15 1.1(4) . . . . ?
C13 C14 C15 N2 -179.4(2) . . . . ?
C13 C14 C15 C10 1.5(4) . . . . ?
C15 N2 C16 C17 178.4(2) . . . . ?
C15 C10 C11 C12 2.6(4) . . . . ?
C16 N2 C15 C10 175.4(2) . . . . ?
C16 N2 C15 C14 -3.8(4) . . . . ?
C16 C17 C18 O3 7.4(4) . . . . ?
C16 C17 C18 C19 -173.0(2) . . . . ?
C16 C17 C22 C21 176.1(2) . . . . ?
C17 C18 C19 O4 176.6(2) . . . . ?
C17 C18 C19 C20 -4.3(4) . . . . ?
C18 C17 C22 C21 -2.2(4) . . . . ?
C18 C19 C20 C21 0.4(4) . . . . ?
C19 C20 C21 C22 2.7(4) . . . . ?
C19 C20 C21 C24 -176.1(3) . . . . ?
C20 C21 C22 C17 -1.8(4) . . . . ?
C22 C17 C18 O3 -174.4(2) . . . . ?
C22 C17 C18 C19 5.1(4) . . . . ?
C23 O4 C19 C18 -176.4(2) . . . . ?
C23 O4 C19 C20 4.5(4) . . . . ?
C24 C21 C22 C17 177.0(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 -0.194 615.9 78.7 '8 water,2 nitrate'
2 0.500 0.000 -0.085 615.9 78.7 '8 water,2 nitrate'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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_complex-2
_database_code_depnum_ccdc_archive 'CCDC 2162011'
loop_
_audit_author_name
_audit_author_address
Panja
;Gokhale Memorial Girls College
India
;
_audit_update_record             
;
2022-06-13 deposited with the CCDC.	2022-06-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H60 Br2 Dy N5 O19 Zn2'
_chemical_formula_weight         1464.07

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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

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

_cell_length_a                   17.066(11)
_cell_length_b                   15.496(9)
_cell_length_c                   19.813(14)
_cell_angle_alpha                90
_cell_angle_beta                 90.85(2)
_cell_angle_gamma                90
_cell_volume                     5239(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    556
_cell_measurement_theta_min      2.99
_cell_measurement_theta_max      25.08

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.856
_exptl_crystal_F_000             2924
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    3.926
_shelx_estimated_absorpt_T_min   0.303
_shelx_estimated_absorpt_T_max   0.538
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5722
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            120943
_diffrn_reflns_av_unetI/netI     0.0107
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.043
_diffrn_reflns_theta_max         30.822
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             8191
_reflns_number_gt                7686
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker Smart'
_computing_cell_refinement       'Bruker Smart'
_computing_data_reduction        'Bruker Saint'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Mercury (Macrae et al 2008)'
_computing_publication_material  'SHELXL-2016/4 (Sheldrick, 2016'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0204P)²+11.7496P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8191
_refine_ls_number_parameters     374
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0208
_refine_ls_R_factor_gt           0.0182
_refine_ls_wR_factor_ref         0.0489
_refine_ls_wR_factor_gt          0.0471
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.500000 0.39289(2) 0.750000 0.01402(3) Uani 1 2 d S T P . .
Br1 Br 0.72182(2) 0.54919(2) 0.88832(2) 0.01938(4) Uani 1 1 d . . . . .
Zn1 Zn 0.63645(2) 0.55022(2) 0.79103(2) 0.01256(4) Uani 1 1 d . . . . .
O1 O 0.53191(6) 0.50447(7) 0.82364(5) 0.01399(19) Uani 1 1 d . . . . .
O12 O 0.62104(6) 0.44589(7) 0.73229(5) 0.01455(19) Uani 1 1 d . . . . .
O4 O 0.61207(7) 0.28587(7) 0.70715(6) 0.0186(2) Uani 1 1 d . . . . .
O2 O 0.45719(7) 0.41817(7) 0.91558(6) 0.0172(2) Uani 1 1 d . . . . .
O8 O 0.44908(8) 0.31542(8) 0.65895(6) 0.0239(2) Uani 1 1 d . . . . .
N1 N 0.59064(7) 0.67202(8) 0.78951(6) 0.0137(2) Uani 1 1 d . . . . .
N2 N 0.69627(7) 0.60211(8) 0.71066(6) 0.0138(2) Uani 1 1 d . . . . .
C9 C 0.53319(9) 0.69611(10) 0.82567(7) 0.0152(3) Uani 1 1 d . . . . .
H9 H 0.519652 0.755567 0.824660 0.018 Uiso 1 1 calc R U . . .
C15 C 0.69216(9) 0.69283(9) 0.71002(7) 0.0144(2) Uani 1 1 d . . . . .
C1 C 0.49097(8) 0.54996(9) 0.86720(7) 0.0132(2) Uani 1 1 d . . . . .
C22 C 0.67310(8) 0.32762(10) 0.67658(7) 0.0146(2) Uani 1 1 d . . . . .
C10 C 0.63456(9) 0.72988(9) 0.75045(7) 0.0141(2) Uani 1 1 d . . . . .
C23 C 0.67501(8) 0.41589(10) 0.69113(7) 0.0134(2) Uani 1 1 d . . . . .
C8 C 0.48735(8) 0.64040(10) 0.86781(7) 0.0142(2) Uani 1 1 d . . . . .
C11 C 0.62394(9) 0.81891(10) 0.74969(8) 0.0181(3) Uani 1 1 d . . . . .
H11 H 0.584587 0.844462 0.776594 0.022 Uiso 1 1 calc R U . . .
C2 C 0.44794(8) 0.50566(10) 0.91640(7) 0.0143(2) Uani 1 1 d . . . . .
C16 C 0.73203(9) 0.55975(10) 0.66502(8) 0.0158(3) Uani 1 1 d . . . . .
H16 H 0.761374 0.591353 0.633003 0.019 Uiso 1 1 calc R U . . .
C5 C 0.39292(9) 0.63801(11) 0.95797(8) 0.0178(3) Uani 1 1 d . . . . .
C7 C 0.43691(9) 0.68277(10) 0.91268(8) 0.0171(3) Uani 1 1 d . . . . .
H7 H 0.433377 0.743928 0.911444 0.020 Uiso 1 1 calc R U . . .
C13 C 0.72864(10) 0.83340(11) 0.67145(9) 0.0222(3) Uani 1 1 d . . . . .
H13 H 0.761209 0.869224 0.644906 0.027 Uiso 1 1 calc R U . . .
C4 C 0.40010(9) 0.54832(10) 0.96050(7) 0.0170(3) Uani 1 1 d . . . . .
H4 H 0.371648 0.516504 0.992995 0.020 Uiso 1 1 calc R U . . .
C12 C 0.67050(10) 0.86995(10) 0.70992(9) 0.0214(3) Uani 1 1 d . . . . .
H12 H 0.662602 0.930627 0.708926 0.026 Uiso 1 1 calc R U . . .
C21 C 0.72630(9) 0.29014(10) 0.63448(8) 0.0172(3) Uani 1 1 d . . . . .
H21 H 0.725027 0.229613 0.626928 0.021 Uiso 1 1 calc R U . . .
C14 C 0.73966(10) 0.74557(10) 0.67133(8) 0.0193(3) Uani 1 1 d . . . . .
H14 H 0.779785 0.720880 0.644780 0.023 Uiso 1 1 calc R U . . .
C17 C 0.73055(9) 0.46698(10) 0.65917(7) 0.0147(2) Uani 1 1 d . . . . .
C18 C 0.78312(9) 0.42810(11) 0.61442(8) 0.0176(3) Uani 1 1 d . . . . .
H18 H 0.820074 0.463139 0.591764 0.021 Uiso 1 1 calc R U . . .
C3 C 0.41805(10) 0.37065(11) 0.96693(8) 0.0199(3) Uani 1 1 d . . . . .
H3A H 0.435795 0.390972 1.011431 0.030 Uiso 1 1 calc R U . . .
H3B H 0.430179 0.309139 0.962328 0.030 Uiso 1 1 calc R U . . .
H3C H 0.361341 0.379268 0.962229 0.030 Uiso 1 1 calc R U . . .
C24 C 0.60711(11) 0.19498(11) 0.69680(10) 0.0257(3) Uani 1 1 d . . . . .
H24A H 0.598072 0.183122 0.648723 0.039 Uiso 1 1 calc R U . . .
H24B H 0.563614 0.171594 0.722863 0.039 Uiso 1 1 calc R U . . .
H24C H 0.656227 0.167748 0.711679 0.039 Uiso 1 1 calc R U . . .
C19 C 0.78238(9) 0.34099(11) 0.60269(8) 0.0178(3) Uani 1 1 d . . . . .
C6 C 0.33679(11) 0.68273(13) 1.00361(9) 0.0269(4) Uani 1 1 d . . . . .
H6A H 0.341348 0.745306 0.997704 0.040 Uiso 1 1 calc R U . . .
H6B H 0.349104 0.667632 1.050611 0.040 Uiso 1 1 calc R U . . .
H6C H 0.283169 0.664521 0.992383 0.040 Uiso 1 1 calc R U . . .
C20 C 0.83833(11) 0.30019(12) 0.55448(9) 0.0266(4) Uani 1 1 d . . . . .
H20A H 0.816941 0.304359 0.508421 0.040 Uiso 1 1 calc R U . . .
H20B H 0.845780 0.239345 0.566420 0.040 Uiso 1 1 calc R U . . .
H20C H 0.888816 0.330230 0.557113 0.040 Uiso 1 1 calc R U . . .
O10 O 0.97726(14) 0.49902(19) 0.68410(8) 0.0688(7) Uani 1 1 d DG . . . .
O9 O 0.91168(10) 0.50741(14) 0.92200(8) 0.0488(4) Uani 1 1 d G . . . .
H9A H 0.926155 0.555289 0.941457 0.073 Uiso 1 1 d G U . . .
O6 O 0.6184(4) 0.0918(4) 0.9637(2) 0.090(2) Uani 0.5 1 d . . P A 1
O5 O 0.58758(10) 0.15345(10) 0.87340(8) 0.0306(3) Uani 0.9 1 d . . P A 1
O7 O 0.5093(2) 0.1565(3) 0.9591(2) 0.0556(11) Uani 0.5 1 d . . P A 1
O11 O 0.5204(3) 0.1145(3) 0.9930(2) 0.0357(8) Uani 0.4 1 d . . P B 2
N25 N 0.5685(2) 0.1344(2) 0.9287(2) 0.0316(6) Uani 0.5 1 d . . P A 1
O13 O 0.568010 0.123013 0.928000 0.0316(6) Uani 0.1 1 d . . P C 3
H8A H 0.437387 0.262400 0.648705 0.047 Uiso 1 1 d . U . . .
H8B H 0.462000 0.340000 0.624310 0.047 Uiso 1 1 d . U . . .
H9B H 0.861610 0.517400 0.911000 0.047 Uiso 1 1 d . U . . .
H10B H 1.011(3) 0.478(3) 0.656(2) 0.088(14) Uiso 1 1 d . . . . .
H10D H 0.954554 0.542809 0.661016 0.132 Uiso 1 1 d D U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O12 2.2552(16) . ?
Dy1 O12 2.2553(16) 2_656 ?
Dy1 O1 2.3220(15) . ?
Dy1 O1 2.3220(15) 2_656 ?
Dy1 O8 2.3247(17) 2_656 ?
Dy1 O8 2.3248(17) . ?
Dy1 O4 2.6791(16) . ?
Dy1 O4 2.6791(16) 2_656 ?
Dy1 Zn1 3.4600(15) 2_656 ?
Dy1 Zn1 3.4600(15) . ?
Br1 Zn1 2.3990(13) . ?
Zn1 O12 2.0070(14) . ?
Zn1 O1 2.0340(15) . ?
Zn1 N1 2.0431(16) . ?
Zn1 N2 2.0671(16) . ?
O1 C1 1.3221(17) . ?
O12 C23 1.3237(17) . ?
O4 C22 1.3744(19) . ?
O4 C24 1.426(2) . ?
O2 C2 1.365(2) . ?
O2 C3 1.4295(19) . ?
O8 H8A 0.8688(13) . ?
O8 H8B 0.8181(13) . ?
N1 C9 1.279(2) . ?
N1 C10 1.4077(19) . ?
N2 C16 1.280(2) . ?
N2 C15 1.408(2) . ?
C9 C8 1.440(2) . ?
C9 H9 0.9500 . ?
C15 C14 1.390(2) . ?
C15 C10 1.400(2) . ?
C1 C8 1.403(2) . ?
C1 C2 1.408(2) . ?
C22 C21 1.371(2) . ?
C22 C23 1.398(2) . ?
C10 C11 1.392(2) . ?
C23 C17 1.394(2) . ?
C8 C7 1.409(2) . ?
C11 C12 1.377(2) . ?
C11 H11 0.9500 . ?
C2 C4 1.374(2) . ?
C16 C17 1.442(2) . ?
C16 H16 0.9500 . ?
C5 C7 1.367(2) . ?
C5 C4 1.396(2) . ?
C5 C6 1.497(2) . ?
C7 H7 0.9500 . ?
C13 C14 1.374(2) . ?
C13 C12 1.381(3) . ?
C13 H13 0.9500 . ?
C4 H4 0.9500 . ?
C12 H12 0.9500 . ?
C21 C19 1.397(2) . ?
C21 H21 0.9500 . ?
C14 H14 0.9500 . ?
C17 C18 1.406(2) . ?
C18 C19 1.370(2) . ?
C18 H18 0.9500 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C19 C20 1.500(2) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
O10 H10B 0.88(4) . ?
O10 H10D 0.903(3) . ?
O9 H9A 0.8702 . ?
O9 H9B 0.8923(18) . ?
O6 N25 1.275(6) . ?
O5 N25 1.184(4) . ?
O7 N25 1.233(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
O12 Dy1 O12 137.28(6) . 2_656 ?
O12 Dy1 O1 67.65(4) . . ?
O12 Dy1 O1 80.67(5) 2_656 . ?
O12 Dy1 O1 80.67(5) . 2_656 ?
O12 Dy1 O1 67.65(4) 2_656 2_656 ?
O1 Dy1 O1 83.74(7) . 2_656 ?
O12 Dy1 O8 88.63(5) . 2_656 ?
O12 Dy1 O8 113.58(5) 2_656 2_656 ?
O1 Dy1 O8 79.37(6) . 2_656 ?
O1 Dy1 O8 162.49(4) 2_656 2_656 ?
O12 Dy1 O8 113.58(5) . . ?
O12 Dy1 O8 88.63(5) 2_656 . ?
O1 Dy1 O8 162.49(4) . . ?
O1 Dy1 O8 79.37(6) 2_656 . ?
O8 Dy1 O8 117.81(8) 2_656 . ?
O12 Dy1 O4 61.08(5) . . ?
O12 Dy1 O4 159.16(4) 2_656 . ?
O1 Dy1 O4 119.88(5) . . ?
O1 Dy1 O4 115.08(5) 2_656 . ?
O8 Dy1 O4 70.47(6) 2_656 . ?
O8 Dy1 O4 72.23(6) . . ?
O12 Dy1 O4 159.17(4) . 2_656 ?
O12 Dy1 O4 61.07(5) 2_656 2_656 ?
O1 Dy1 O4 115.07(5) . 2_656 ?
O1 Dy1 O4 119.88(5) 2_656 2_656 ?
O8 Dy1 O4 72.23(6) 2_656 2_656 ?
O8 Dy1 O4 70.47(6) . 2_656 ?
O4 Dy1 O4 103.51(7) . 2_656 ?
O12 Dy1 Zn1 108.76(5) . 2_656 ?
O12 Dy1 Zn1 33.40(3) 2_656 2_656 ?
O1 Dy1 Zn1 76.92(5) . 2_656 ?
O1 Dy1 Zn1 34.60(3) 2_656 2_656 ?
O8 Dy1 Zn1 142.07(3) 2_656 2_656 ?
O8 Dy1 Zn1 86.50(5) . 2_656 ?
O4 Dy1 Zn1 147.45(4) . 2_656 ?
O4 Dy1 Zn1 91.69(5) 2_656 2_656 ?
O12 Dy1 Zn1 33.39(3) . . ?
O12 Dy1 Zn1 108.76(5) 2_656 . ?
O1 Dy1 Zn1 34.60(3) . . ?
O1 Dy1 Zn1 76.92(5) 2_656 . ?
O8 Dy1 Zn1 86.50(5) 2_656 . ?
O8 Dy1 Zn1 142.07(3) . . ?
O4 Dy1 Zn1 91.69(5) . . ?
O4 Dy1 Zn1 147.45(4) 2_656 . ?
Zn1 Dy1 Zn1 90.40(5) 2_656 . ?
O12 Zn1 O1 78.19(5) . . ?
O12 Zn1 N1 133.53(6) . . ?
O1 Zn1 N1 89.39(6) . . ?
O12 Zn1 N2 85.91(6) . . ?
O1 Zn1 N2 145.67(5) . . ?
N1 Zn1 N2 79.77(6) . . ?
O12 Zn1 Br1 122.24(4) . . ?
O1 Zn1 Br1 105.52(5) . . ?
N1 Zn1 Br1 104.22(4) . . ?
N2 Zn1 Br1 108.70(6) . . ?
O12 Zn1 Dy1 38.20(4) . . ?
O1 Zn1 Dy1 40.41(4) . . ?
N1 Zn1 Dy1 113.04(6) . . ?
N2 Zn1 Dy1 115.56(5) . . ?
Br1 Zn1 Dy1 125.64(2) . . ?
C1 O1 Zn1 119.74(10) . . ?
C1 O1 Dy1 133.31(10) . . ?
Zn1 O1 Dy1 104.99(5) . . ?
C23 O12 Zn1 123.63(10) . . ?
C23 O12 Dy1 127.97(10) . . ?
Zn1 O12 Dy1 108.40(5) . . ?
C22 O4 C24 116.45(13) . . ?
C22 O4 Dy1 113.42(10) . . ?
C24 O4 Dy1 128.02(10) . . ?
C2 O2 C3 116.61(12) . . ?
Dy1 O8 H8A 138.73(11) . . ?
Dy1 O8 H8B 107.95(11) . . ?
H8A O8 H8B 107.95(14) . . ?
C9 N1 C10 122.75(14) . . ?
C9 N1 Zn1 123.91(11) . . ?
C10 N1 Zn1 112.94(10) . . ?
C16 N2 C15 122.03(13) . . ?
C16 N2 Zn1 126.22(11) . . ?
C15 N2 Zn1 111.74(10) . . ?
N1 C9 C8 125.27(14) . . ?
N1 C9 H9 117.4 . . ?
C8 C9 H9 117.4 . . ?
C14 C15 C10 119.64(14) . . ?
C14 C15 N2 124.25(14) . . ?
C10 C15 N2 116.08(13) . . ?
O1 C1 C8 124.20(13) . . ?
O1 C1 C2 118.56(14) . . ?
C8 C1 C2 117.24(13) . . ?
C21 C22 O4 125.56(14) . . ?
C21 C22 C23 121.75(14) . . ?
O4 C22 C23 112.66(13) . . ?
C11 C10 C15 119.52(14) . . ?
C11 C10 N1 124.55(14) . . ?
C15 C10 N1 115.93(13) . . ?
O12 C23 C17 124.36(14) . . ?
O12 C23 C22 117.15(13) . . ?
C17 C23 C22 118.41(13) . . ?
C1 C8 C7 119.89(14) . . ?
C1 C8 C9 124.72(13) . . ?
C7 C8 C9 115.38(14) . . ?
C12 C11 C10 119.96(15) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
O2 C2 C4 123.73(14) . . ?
O2 C2 C1 114.49(13) . . ?
C4 C2 C1 121.78(15) . . ?
N2 C16 C17 124.07(14) . . ?
N2 C16 H16 118.0 . . ?
C17 C16 H16 118.0 . . ?
C7 C5 C4 118.68(14) . . ?
C7 C5 C6 121.60(16) . . ?
C4 C5 C6 119.71(15) . . ?
C5 C7 C8 121.61(15) . . ?
C5 C7 H7 119.2 . . ?
C8 C7 H7 119.2 . . ?
C14 C13 C12 120.44(15) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C2 C4 C5 120.58(14) . . ?
C2 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C11 C12 C13 120.35(16) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C22 C21 C19 119.97(15) . . ?
C22 C21 H21 120.0 . . ?
C19 C21 H21 120.0 . . ?
C13 C14 C15 120.04(15) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C23 C17 C18 119.18(14) . . ?
C23 C17 C16 122.72(13) . . ?
C18 C17 C16 117.84(14) . . ?
C19 C18 C17 121.66(14) . . ?
C19 C18 H18 119.2 . . ?
C17 C18 H18 119.2 . . ?
O2 C3 H3A 109.5 . . ?
O2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
O2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O4 C24 H24A 109.5 . . ?
O4 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O4 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C18 C19 C21 118.94(14) . . ?
C18 C19 C20 121.27(15) . . ?
C21 C19 C20 119.74(15) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
H10B O10 H10D 103(3) . . ?
H9A O9 H9B 103.0 . . ?
O5 N25 O7 128.4(4) . . ?
O5 N25 O6 116.3(4) . . ?
O7 N25 O6 115.0(4) . . ?

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
C10 N1 C9 C8 -178.46(14) . . . . ?
Zn1 N1 C9 C8 -6.2(2) . . . . ?
C16 N2 C15 C14 -15.7(2) . . . . ?
Zn1 N2 C15 C14 165.73(13) . . . . ?
C16 N2 C15 C10 162.85(14) . . . . ?
Zn1 N2 C15 C10 -15.77(16) . . . . ?
Zn1 O1 C1 C8 35.42(18) . . . . ?
Dy1 O1 C1 C8 -126.00(14) . . . . ?
Zn1 O1 C1 C2 -144.61(11) . . . . ?
Dy1 O1 C1 C2 53.97(19) . . . . ?
C24 O4 C22 C21 3.8(2) . . . . ?
Dy1 O4 C22 C21 -161.08(12) . . . . ?
C24 O4 C22 C23 -178.07(14) . . . . ?
Dy1 O4 C22 C23 17.08(15) . . . . ?
C14 C15 C10 C11 2.1(2) . . . . ?
N2 C15 C10 C11 -176.50(14) . . . . ?
C14 C15 C10 N1 -178.19(14) . . . . ?
N2 C15 C10 N1 3.24(19) . . . . ?
C9 N1 C10 C11 3.9(2) . . . . ?
Zn1 N1 C10 C11 -169.10(12) . . . . ?
C9 N1 C10 C15 -175.79(14) . . . . ?
Zn1 N1 C10 C15 11.18(16) . . . . ?
Zn1 O12 C23 C17 -30.8(2) . . . . ?
Dy1 O12 C23 C17 149.48(12) . . . . ?
Zn1 O12 C23 C22 152.52(11) . . . . ?
Dy1 O12 C23 C22 -27.25(19) . . . . ?
C21 C22 C23 O12 179.91(14) . . . . ?
O4 C22 C23 O12 1.68(19) . . . . ?
C21 C22 C23 C17 3.0(2) . . . . ?
O4 C22 C23 C17 -175.25(13) . . . . ?
O1 C1 C8 C7 174.72(14) . . . . ?
C2 C1 C8 C7 -5.3(2) . . . . ?
O1 C1 C8 C9 -6.2(2) . . . . ?
C2 C1 C8 C9 173.78(14) . . . . ?
N1 C9 C8 C1 -10.6(2) . . . . ?
N1 C9 C8 C7 168.52(15) . . . . ?
C15 C10 C11 C12 -0.7(2) . . . . ?
N1 C10 C11 C12 179.57(14) . . . . ?
C3 O2 C2 C4 -4.2(2) . . . . ?
C3 O2 C2 C1 176.71(13) . . . . ?
O1 C1 C2 O2 3.43(19) . . . . ?
C8 C1 C2 O2 -176.59(13) . . . . ?
O1 C1 C2 C4 -175.72(14) . . . . ?
C8 C1 C2 C4 4.3(2) . . . . ?
C15 N2 C16 C17 -172.80(14) . . . . ?
Zn1 N2 C16 C17 5.6(2) . . . . ?
C4 C5 C7 C8 1.6(2) . . . . ?
C6 C5 C7 C8 -177.35(15) . . . . ?
C1 C8 C7 C5 2.5(2) . . . . ?
C9 C8 C7 C5 -176.67(14) . . . . ?
O2 C2 C4 C5 -179.36(14) . . . . ?
C1 C2 C4 C5 -0.3(2) . . . . ?
C7 C5 C4 C2 -2.7(2) . . . . ?
C6 C5 C4 C2 176.28(15) . . . . ?
C10 C11 C12 C13 -1.0(3) . . . . ?
C14 C13 C12 C11 1.3(3) . . . . ?
O4 C22 C21 C19 175.39(14) . . . . ?
C23 C22 C21 C19 -2.6(2) . . . . ?
C12 C13 C14 C15 0.0(3) . . . . ?
C10 C15 C14 C13 -1.7(2) . . . . ?
N2 C15 C14 C13 176.70(15) . . . . ?
O12 C23 C17 C18 -177.57(14) . . . . ?
C22 C23 C17 C18 -0.9(2) . . . . ?
O12 C23 C17 C16 -3.5(2) . . . . ?
C22 C23 C17 C16 173.18(14) . . . . ?
N2 C16 C17 C23 16.8(2) . . . . ?
N2 C16 C17 C18 -169.02(15) . . . . ?
C23 C17 C18 C19 -1.6(2) . . . . ?
C16 C17 C18 C19 -175.95(15) . . . . ?
C17 C18 C19 C21 2.0(2) . . . . ?
C17 C18 C19 C20 179.56(15) . . . . ?
C22 C21 C19 C18 0.1(2) . . . . ?
C22 C21 C19 C20 -177.51(15) . . . . ?

_refine_diff_density_max         0.685
_refine_diff_density_min         -0.718
_refine_diff_density_rms         0.077

